smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(COc2ccc(N(C)C)cc2)no1 ZINC000281203435 178049573 /nfs/dbraw/zinc/04/95/73/178049573.db2.gz PMEUQSJGGGGEKJ-UHFFFAOYSA-N 0 0 232.283 2.628 20 10 BFCDRN Cc1cc(NCc2ccc(N(C)C)cc2)no1 ZINC000083358187 178172943 /nfs/dbraw/zinc/17/29/43/178172943.db2.gz SBZWXBCJXJJLIX-UHFFFAOYSA-N 0 0 231.299 2.661 20 10 BFCDRN Oc1cccc(Sc2nccs2)c1 ZINC000127049860 342816768 /nfs/dbraw/zinc/81/67/68/342816768.db2.gz MICQKXITMGYAEK-UHFFFAOYSA-N 0 0 209.295 3.000 20 10 BFCDRN CC(C)(C)SCC(=O)Nc1ccc(N)cc1 ZINC000019870006 342960467 /nfs/dbraw/zinc/96/04/67/342960467.db2.gz ZOXMPXLLDAAHSI-UHFFFAOYSA-N 0 0 238.356 2.739 20 10 BFCDRN CC(C)(C)C(=O)CSc1nccs1 ZINC000040677270 344178858 /nfs/dbraw/zinc/17/88/58/344178858.db2.gz UEAAUUPSNQDMPV-UHFFFAOYSA-N 0 0 215.343 2.850 20 10 BFCDRN CCCC[C@H](C)C(=O)NCc1ccccc1O ZINC000282548504 351935284 /nfs/dbraw/zinc/93/52/84/351935284.db2.gz RPVKJVPFLNOVBW-NSHDSACASA-N 0 0 235.327 2.835 20 10 BFCDRN Cc1ccc(O)c(CNc2cccc(CO)c2)c1 ZINC000071407621 187615155 /nfs/dbraw/zinc/61/51/55/187615155.db2.gz FTPICKPWYBSUJA-UHFFFAOYSA-N 0 0 243.306 2.805 20 10 BFCDRN CC[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1O ZINC000295397533 352410634 /nfs/dbraw/zinc/41/06/34/352410634.db2.gz YZLGARISLLZJIQ-DGCLKSJQSA-N 0 0 247.338 2.835 20 10 BFCDRN C/C=C(\CC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000189902660 188349692 /nfs/dbraw/zinc/34/96/92/188349692.db2.gz MTEYIHWKXLMLJB-WLRTZDKTSA-N 0 0 246.354 2.725 20 10 BFCDRN C/C=C(\C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000267537864 188373201 /nfs/dbraw/zinc/37/32/01/188373201.db2.gz WPZLSANMEGNGIR-WUXMJOGZSA-N 0 0 246.354 2.677 20 10 BFCDRN Cc1nnc([C@@H](C)Sc2nccs2)o1 ZINC000063537964 368587805 /nfs/dbraw/zinc/58/78/05/368587805.db2.gz QVIUCQZDAPOJRH-RXMQYKEDSA-N 0 0 227.314 2.688 20 10 BFCDRN Cc1cc(C)n(CCSc2nccs2)n1 ZINC000068051300 368710920 /nfs/dbraw/zinc/71/09/20/368710920.db2.gz CJPKOLQNEOJZGN-UHFFFAOYSA-N 0 0 239.369 2.749 20 10 BFCDRN CC[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000132543157 371857167 /nfs/dbraw/zinc/85/71/67/371857167.db2.gz NXLGVCJFTWJYKU-UHFFFAOYSA-N 0 0 244.132 2.606 20 10 BFCDRN O=[N+]([O-])c1ccccc1NCc1ccccc1O ZINC000037058909 182950593 /nfs/dbraw/zinc/95/05/93/182950593.db2.gz WYNFTOLQEQBHJG-UHFFFAOYSA-N 0 0 244.250 2.913 20 10 BFCDRN CCOCCN(C)c1ccc(OC)c(Cl)c1 ZINC000121857672 170391928 /nfs/dbraw/zinc/39/19/28/170391928.db2.gz NXPLFHDXFREWSA-UHFFFAOYSA-N 0 0 243.734 2.821 20 10 BFCDRN O[C@@H]1CCC[C@H](CSc2nccs2)C1 ZINC000291712421 183196814 /nfs/dbraw/zinc/19/68/14/183196814.db2.gz PZKNYWOUROEIFH-DTWKUNHWSA-N 0 0 229.370 2.786 20 10 BFCDRN CCCN(CC)C(=O)Nc1ccc(N)cc1 ZINC000035408137 169114943 /nfs/dbraw/zinc/11/49/43/169114943.db2.gz ONBRQTGPARQOKB-UHFFFAOYSA-N 0 0 221.304 2.533 20 10 BFCDRN CCC[N@H+](CC)Cc1cccc(C)c1O ZINC000162804415 169129725 /nfs/dbraw/zinc/12/97/25/169129725.db2.gz OJCQQNXULBUBDW-UHFFFAOYSA-N 0 0 207.317 2.933 20 10 BFCDRN Oc1ccc(CNc2ccccc2)cc1O ZINC000019879255 183272471 /nfs/dbraw/zinc/27/24/71/183272471.db2.gz RLLYTMABJBIZRQ-UHFFFAOYSA-N 0 0 215.252 2.710 20 10 BFCDRN Oc1ccc(F)cc1CN1CCC=C(F)C1 ZINC000274470597 183274951 /nfs/dbraw/zinc/27/49/51/183274951.db2.gz JYMLDCUPJFJRBB-UHFFFAOYSA-N 0 0 225.238 2.590 20 10 BFCDRN CCCN(Cc1ccccc1O)C(=O)C1CC1 ZINC000299650196 169176743 /nfs/dbraw/zinc/17/67/43/169176743.db2.gz NFRBTOHUIQMKOP-UHFFFAOYSA-N 0 0 233.311 2.541 20 10 BFCDRN Oc1ccccc1CNc1cccc(F)n1 ZINC000083349246 183303291 /nfs/dbraw/zinc/30/32/91/183303291.db2.gz FKQUJKSTCGVOII-UHFFFAOYSA-N 0 0 218.231 2.538 20 10 BFCDRN Oc1ccccc1CN[C@H](C1CC1)C(F)(F)F ZINC000288494864 183303654 /nfs/dbraw/zinc/30/36/54/183303654.db2.gz RHVBKSVUECBYOV-LLVKDONJSA-N 0 0 245.244 2.823 20 10 BFCDRN c1csc(Sc2ccnc(C3CC3)n2)n1 ZINC000112553483 183359627 /nfs/dbraw/zinc/35/96/27/183359627.db2.gz QYJWRBFHHABCHK-UHFFFAOYSA-N 0 0 235.337 2.962 20 10 BFCDRN CCC[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000035407605 169368953 /nfs/dbraw/zinc/36/89/53/169368953.db2.gz FDLVYLXTOPTUSS-SECBINFHSA-N 0 0 221.304 2.579 20 10 BFCDRN Nc1ccc(Nc2cccc3c2CCN3)cc1 ZINC000089209621 383946582 /nfs/dbraw/zinc/94/65/82/383946582.db2.gz IFBOMNSKCQNZGI-UHFFFAOYSA-N 0 0 225.295 2.980 20 10 BFCDRN CSCCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000068998303 384026748 /nfs/dbraw/zinc/02/67/48/384026748.db2.gz ZBCQBHYZFKDXOK-VIFPVBQESA-N 0 0 243.347 2.935 20 10 BFCDRN COC[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000093337999 384229265 /nfs/dbraw/zinc/22/92/65/384229265.db2.gz FQLNXSBHPRLLLF-CYBMUJFWSA-N 0 0 249.354 2.559 20 10 BFCDRN CCOC[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000093839290 384273626 /nfs/dbraw/zinc/27/36/26/384273626.db2.gz MPLODLCPPFPZKQ-CYBMUJFWSA-N 0 0 249.354 2.559 20 10 BFCDRN CC1(C(=O)NCCc2ccc(N)cc2)CCCC1 ZINC000094897664 384316340 /nfs/dbraw/zinc/31/63/40/384316340.db2.gz XBJDAZWRCZFNHF-UHFFFAOYSA-N 0 0 246.354 2.508 20 10 BFCDRN CC[C@H](COC)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000079735193 384511159 /nfs/dbraw/zinc/51/11/59/384511159.db2.gz ANRLFBVCTAROEP-GXSJLCMTSA-N 0 0 241.306 2.607 20 10 BFCDRN C[C@@H]([NH2+]C1CCC1)c1ccc(F)c(F)c1[O-] ZINC000276976284 384628724 /nfs/dbraw/zinc/62/87/24/384628724.db2.gz VAIDOAGJWKEEIF-SSDOTTSWSA-N 0 0 227.254 2.874 20 10 BFCDRN Nc1ccc(CNC(=O)C2CCCCCC2)cc1 ZINC000053713252 384803961 /nfs/dbraw/zinc/80/39/61/384803961.db2.gz RKOZIYMULDBYKB-UHFFFAOYSA-N 0 0 246.354 2.855 20 10 BFCDRN COc1cc(Cl)cc(C[N@H+](C)C(C)C)c1O ZINC000129945282 385204844 /nfs/dbraw/zinc/20/48/44/385204844.db2.gz UHCCZNIHYIEKPM-UHFFFAOYSA-N 0 0 243.734 2.894 20 10 BFCDRN [O-]c1c(Cl)cccc1C[NH+]1CCCC1 ZINC000157752841 385268494 /nfs/dbraw/zinc/26/84/94/385268494.db2.gz SVENTLDASRSZQT-UHFFFAOYSA-N 0 0 211.692 2.641 20 10 BFCDRN C[N@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000179690880 385483260 /nfs/dbraw/zinc/48/32/60/385483260.db2.gz FMRZLLMGZHLJHX-UHFFFAOYSA-N 0 0 211.692 2.640 20 10 BFCDRN CSCCCOc1ccc(N(C)C)cc1 ZINC000281150635 385640090 /nfs/dbraw/zinc/64/00/90/385640090.db2.gz KPFISBJFMFYIHQ-UHFFFAOYSA-N 0 0 225.357 2.885 20 10 BFCDRN C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1cn[nH]c1 ZINC000230669540 385747296 /nfs/dbraw/zinc/74/72/96/385747296.db2.gz TTZBIABPUWXTRO-RKDXNWHRSA-N 0 0 249.289 2.666 20 10 BFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1cn[nH]c1 ZINC000230669534 385748316 /nfs/dbraw/zinc/74/83/16/385748316.db2.gz TTZBIABPUWXTRO-BDAKNGLRSA-N 0 0 249.289 2.666 20 10 BFCDRN CCCCN(Cc1ccccc1O)C(=O)CC ZINC000282457574 385763933 /nfs/dbraw/zinc/76/39/33/385763933.db2.gz JIVYYRCFHSHAGU-UHFFFAOYSA-N 0 0 235.327 2.931 20 10 BFCDRN CC[C@@H](C)CC(=O)N(C)Cc1ccccc1O ZINC000189364872 385986875 /nfs/dbraw/zinc/98/68/75/385986875.db2.gz JBECUQZHGLXLLA-LLVKDONJSA-N 0 0 235.327 2.787 20 10 BFCDRN CC[C@H]1CCC[C@H]1C(=O)NCc1ccccc1O ZINC000295397534 386026810 /nfs/dbraw/zinc/02/68/10/386026810.db2.gz YZLGARISLLZJIQ-WCQYABFASA-N 0 0 247.338 2.835 20 10 BFCDRN CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298356319 386330017 /nfs/dbraw/zinc/33/00/17/386330017.db2.gz MNBBEOALYHUOQK-UHFFFAOYSA-N 0 0 234.343 2.510 20 10 BFCDRN COCSc1ncc(-c2ccccc2)n1C ZINC000298884973 386394501 /nfs/dbraw/zinc/39/45/01/386394501.db2.gz SGETTWAQPUCQFI-UHFFFAOYSA-N 0 0 234.324 2.783 20 10 BFCDRN CC[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])OC ZINC000290150456 386827982 /nfs/dbraw/zinc/82/79/82/386827982.db2.gz LFKDZSHEJVOJEG-ONGXEEELSA-N 0 0 241.306 2.607 20 10 BFCDRN CC[C@@H]([NH2+]CC1CC1)c1ccc(F)cc1[O-] ZINC000285882917 387288984 /nfs/dbraw/zinc/28/89/84/387288984.db2.gz ZONBFGZWJNWWHM-GFCCVEGCSA-N 0 0 223.291 2.982 20 10 BFCDRN CC[C@H]([NH2+]CC1CC1)c1ccc(F)cc1[O-] ZINC000285882921 387289771 /nfs/dbraw/zinc/28/97/71/387289771.db2.gz ZONBFGZWJNWWHM-LBPRGKRZSA-N 0 0 223.291 2.982 20 10 BFCDRN CS[C@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000163995357 388122652 /nfs/dbraw/zinc/12/26/52/388122652.db2.gz JKZQAHIKOOXADD-ZJUUUORDSA-N 0 0 225.357 2.794 20 10 BFCDRN CCCC[N@H+](C)Cc1cccc(F)c1[O-] ZINC000165408847 388252292 /nfs/dbraw/zinc/25/22/92/388252292.db2.gz NPFCEBHMYHGPFL-UHFFFAOYSA-N 0 0 211.280 2.763 20 10 BFCDRN CCC1([NH2+]Cc2cccc(C)c2O)CC1 ZINC000294815765 388404504 /nfs/dbraw/zinc/40/45/04/388404504.db2.gz OHYWIPLBBYKJFL-UHFFFAOYSA-N 0 0 205.301 2.733 20 10 BFCDRN CC[C@H]1CCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000269262123 389008081 /nfs/dbraw/zinc/00/80/81/389008081.db2.gz ZSMCXTZLEBZSCK-GXTWGEPZSA-N 0 0 246.354 2.506 20 10 BFCDRN CCc1csc(Cc2ccc(N)cc2)n1 ZINC000084149895 135187684 /nfs/dbraw/zinc/18/76/84/135187684.db2.gz RYQLCPZBGOCLGI-UHFFFAOYSA-N 0 0 218.325 2.879 20 10 BFCDRN C[C@@H]1CC[C@@H](CSc2nccs2)O1 ZINC000191102931 135500766 /nfs/dbraw/zinc/50/07/66/135500766.db2.gz XSPXJBNAIHRHTJ-SFYZADRCSA-N 0 0 215.343 2.803 20 10 BFCDRN CC(C)[C@@H](C)N(C)C(=O)Nc1ccc(N)cc1 ZINC000036788151 167364100 /nfs/dbraw/zinc/36/41/00/167364100.db2.gz QOYLAENTEHAILQ-SNVBAGLBSA-N 0 0 235.331 2.777 20 10 BFCDRN Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)C2)c1 ZINC000296632176 411197417 /nfs/dbraw/zinc/19/74/17/411197417.db2.gz XMWFPPOPEZJKMW-UPJWGTAASA-N 0 0 249.354 2.512 20 10 BFCDRN CC1(CC(=O)NCc2ccccc2O)CCCC1 ZINC000289606752 168016620 /nfs/dbraw/zinc/01/66/20/168016620.db2.gz JGMWHNYAOGGCMR-UHFFFAOYSA-N 0 0 247.338 2.979 20 10 BFCDRN C[C@H]([NH2+]C1CC(C)C1)c1ccccc1O ZINC000163991956 168147043 /nfs/dbraw/zinc/14/70/43/168147043.db2.gz XCXHAYXZYKJSFO-YVNMAJEFSA-N 0 0 205.301 2.841 20 10 BFCDRN CCC(=O)CCCSc1nccs1 ZINC000183876218 168201285 /nfs/dbraw/zinc/20/12/85/168201285.db2.gz HGDZKPLFMRILAQ-UHFFFAOYSA-N 0 0 215.343 2.995 20 10 BFCDRN CCC(C)(C)C(=O)N(C)Cc1ccccc1O ZINC000171267550 168262542 /nfs/dbraw/zinc/26/25/42/168262542.db2.gz SHCBYTQRNKIZKL-UHFFFAOYSA-N 0 0 235.327 2.787 20 10 BFCDRN CC[C@H](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000191141114 171260651 /nfs/dbraw/zinc/26/06/51/171260651.db2.gz WQCPSDGVSZOMRU-LBPRGKRZSA-N 0 0 248.370 2.805 20 10 BFCDRN CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062744699 171346419 /nfs/dbraw/zinc/34/64/19/171346419.db2.gz MJHYWTMBOQTVOU-IUCAKERBSA-N 0 0 211.280 2.980 20 10 BFCDRN CC[C@H](C)[C@@H](C)C(=O)NCc1ccccc1O ZINC000272479334 171360283 /nfs/dbraw/zinc/36/02/83/171360283.db2.gz FQINWYJMNZREIJ-WDEREUQCSA-N 0 0 235.327 2.691 20 10 BFCDRN CC[C@H](C)[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000042559640 171362599 /nfs/dbraw/zinc/36/25/99/171362599.db2.gz WZBSOKFTVDDZRT-VHSXEESVSA-N 0 0 235.331 2.825 20 10 BFCDRN CCc1nn(C)cc1NCc1cc(C)ccc1O ZINC000091070210 172043319 /nfs/dbraw/zinc/04/33/19/172043319.db2.gz PKGJLIYRQRSYLF-UHFFFAOYSA-N 0 0 245.326 2.609 20 10 BFCDRN CCn1cc(N[C@H]2CCc3cccc(O)c32)cn1 ZINC000297053544 172188110 /nfs/dbraw/zinc/18/81/10/172188110.db2.gz VRBJNRFTKBYSIM-LBPRGKRZSA-N 0 0 243.310 2.708 20 10 BFCDRN CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000047652493 173309614 /nfs/dbraw/zinc/30/96/14/173309614.db2.gz WXJSCHJJCHILAR-UHFFFAOYSA-N 0 0 242.322 2.762 20 10 BFCDRN COCCCCN(C)c1ccc(OC)c(F)c1 ZINC000121737687 174190983 /nfs/dbraw/zinc/19/09/83/174190983.db2.gz SMMJGMDONCNUCD-UHFFFAOYSA-N 0 0 241.306 2.697 20 10 BFCDRN COCC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094618334 174385489 /nfs/dbraw/zinc/38/54/89/174385489.db2.gz RHVDVIZVVRSISH-NXEZZACHSA-N 0 0 241.306 2.607 20 10 BFCDRN COc1ccc(N(C)CCCCF)c(OC)c1 ZINC000285626161 175136115 /nfs/dbraw/zinc/13/61/15/175136115.db2.gz NDJSRKDFGGRDBT-UHFFFAOYSA-N 0 0 241.306 2.890 20 10 BFCDRN COc1ccc(N[C@H](C)c2ccccc2O)cn1 ZINC000019877708 175154913 /nfs/dbraw/zinc/15/49/13/175154913.db2.gz CXOXFQKYSXGQCB-SNVBAGLBSA-N 0 0 244.294 2.969 20 10 BFCDRN COc1ccc(O)c([C@@H](C)NCC(F)(F)F)c1 ZINC000019436957 175159965 /nfs/dbraw/zinc/15/99/65/175159965.db2.gz LIZPXQREFKAXQI-SSDOTTSWSA-N 0 0 249.232 2.614 20 10 BFCDRN COc1ccc2c(c1)CCN2Cc1conc1C ZINC000294881051 175208646 /nfs/dbraw/zinc/20/86/46/175208646.db2.gz KWOKSBRPGZKUDC-UHFFFAOYSA-N 0 0 244.294 2.554 20 10 BFCDRN C[C@@H]1CC/C(=C\C(=O)NCc2ccccc2O)C1 ZINC000268596439 176056958 /nfs/dbraw/zinc/05/69/58/176056958.db2.gz QVGFIURCJBIVFI-LWMMSDEHSA-N 0 0 245.322 2.755 20 10 BFCDRN C[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])[C@@H]1C ZINC000272534273 176176316 /nfs/dbraw/zinc/17/63/16/176176316.db2.gz ZXZOYVNTKIUZEZ-NXEZZACHSA-N 0 0 223.291 2.762 20 10 BFCDRN C[C@@H]1CC[C@@H](CCC(=O)Nc2ccc(N)cc2)O1 ZINC000237380244 176202878 /nfs/dbraw/zinc/20/28/78/176202878.db2.gz KSEFPICXFWHDDW-MFKMUULPSA-N 0 0 248.326 2.555 20 10 BFCDRN C[C@H]1CC[C@H](NC(=O)Cc2ccc(N)cc2)CC1 ZINC000252715298 176210138 /nfs/dbraw/zinc/21/01/38/176210138.db2.gz VENYLXPLDHTGOK-YEORSEQZSA-N 0 0 246.354 2.506 20 10 BFCDRN C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(N)cc2)C1 ZINC000035407923 176360679 /nfs/dbraw/zinc/36/06/79/176360679.db2.gz CVUBFROOOAPEJG-GHMZBOCLSA-N 0 0 247.342 2.779 20 10 BFCDRN C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(F)c(F)c1[O-] ZINC000276928935 176863019 /nfs/dbraw/zinc/86/30/19/176863019.db2.gz NYDGXKMSCKXDRL-CIUDSAMLSA-N 0 0 241.281 2.977 20 10 BFCDRN C[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(N)cc1 ZINC000050567151 177093949 /nfs/dbraw/zinc/09/39/49/177093949.db2.gz GCNWTZBQQLSAFJ-WDEREUQCSA-N 0 0 247.342 2.921 20 10 BFCDRN C[C@H]1CCC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000035408189 177136352 /nfs/dbraw/zinc/13/63/52/177136352.db2.gz YQXOMJWJMBKUDV-GWCFXTLKSA-N 0 0 247.342 2.969 20 10 BFCDRN CCCN(Cc1ccccc1O)c1cnccn1 ZINC000853450602 588744006 /nfs/dbraw/zinc/74/40/06/588744006.db2.gz FBGNSMQIXHQZLY-UHFFFAOYSA-N 0 0 243.310 2.599 20 10 BFCDRN C[C@H](C1CC1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893946131 583257457 /nfs/dbraw/zinc/25/74/57/583257457.db2.gz LIIVZXLHYMZWNS-MRVPVSSYSA-N 0 0 241.281 2.901 20 10 BFCDRN Cc1ccc(O)c(C[NH+]2CC(C(F)(F)F)C2)c1 ZINC000894892237 583548843 /nfs/dbraw/zinc/54/88/43/583548843.db2.gz MWHMBPVKMFXSNC-UHFFFAOYSA-N 0 0 245.244 2.695 20 10 BFCDRN Oc1cccc(Cl)c1CN1CC[C@@H]1C(F)F ZINC000895431026 583670218 /nfs/dbraw/zinc/67/02/18/583670218.db2.gz JNNPCWNYNPCVAB-SECBINFHSA-N 0 0 247.672 2.885 20 10 BFCDRN Oc1cccc(Cl)c1CN1CC[C@H]1C(F)F ZINC000895431027 583670334 /nfs/dbraw/zinc/67/03/34/583670334.db2.gz JNNPCWNYNPCVAB-VIFPVBQESA-N 0 0 247.672 2.885 20 10 BFCDRN COc1cccc([C@@H](C)N[C@H](C)C(F)F)c1O ZINC000883400972 583795269 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/nfs/dbraw/zinc/19/46/59/712194659.db2.gz NGLSWXLQDYXDJZ-ZETCQYMHSA-N 0 0 247.310 2.512 20 10 BFCDRN C[C@@H](NCC(C)(F)F)c1ccccc1O ZINC000378849459 712366099 /nfs/dbraw/zinc/36/60/99/712366099.db2.gz CWOODLOZEJNGTA-MRVPVSSYSA-N 0 0 215.243 2.698 20 10 BFCDRN Oc1ccccc1CNc1ncc(Cl)s1 ZINC000379924343 712627746 /nfs/dbraw/zinc/62/77/46/712627746.db2.gz KATZEDDESBZAAQ-UHFFFAOYSA-N 0 0 240.715 2.536 20 10 BFCDRN C/C=C\C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000384906444 712704557 /nfs/dbraw/zinc/70/45/57/712704557.db2.gz PBLRPOPICRXGQS-ZBJFTSOASA-N 0 0 209.264 2.758 20 10 BFCDRN C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@H]1C ZINC000380676729 712902578 /nfs/dbraw/zinc/90/25/78/712902578.db2.gz OLGZUJBOXOSNEJ-ZJUUUORDSA-N 0 0 233.315 2.531 20 10 BFCDRN CCC1(CC)CN(C(=O)Nc2ccc(N)cc2)C1 ZINC000386726049 711035697 /nfs/dbraw/zinc/03/56/97/711035697.db2.gz ZLIJFODMFRMSID-UHFFFAOYSA-N 0 0 247.342 2.923 20 10 BFCDRN CC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000388804977 711067657 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712249524 /nfs/dbraw/zinc/24/95/24/712249524.db2.gz VFUFQWAKBVFAMV-NSHDSACASA-N 0 0 246.354 2.506 20 10 BFCDRN O=C(NCc1ccccc1O)C12CCC(CC1)C2 ZINC000710887246 712261399 /nfs/dbraw/zinc/26/13/99/712261399.db2.gz VNVKLBFXTFWDBU-UHFFFAOYSA-N 0 0 245.322 2.589 20 10 BFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1C=CCC1 ZINC000711758905 712326812 /nfs/dbraw/zinc/32/68/12/712326812.db2.gz HZXVGNZSMMNZMW-SECBINFHSA-N 0 0 239.265 2.726 20 10 BFCDRN CN(C(=O)C[C@@H]1C[C@H]1C1CC1)c1ccc(N)cc1 ZINC000712037703 712340640 /nfs/dbraw/zinc/34/06/40/712340640.db2.gz OUPCRQKFZSJPEH-FZMZJTMJSA-N 0 0 244.338 2.668 20 10 BFCDRN CC(C)C1(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000379433271 712384609 /nfs/dbraw/zinc/38/46/09/712384609.db2.gz LQPJWKNQIBYSEE-UHFFFAOYSA-N 0 0 233.315 2.579 20 10 BFCDRN C[C@H]1CCCC[C@@H]1C(=O)NCc1ccccc1O ZINC000714433672 712486506 /nfs/dbraw/zinc/48/65/06/712486506.db2.gz LYHOYWIOINQOMT-AAEUAGOBSA-N 0 0 247.338 2.835 20 10 BFCDRN Nc1ccc(CC(=O)NCC2CCCCC2)cc1 ZINC000037259184 712560879 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BFCDRN C/C=C(/C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000255910963 959934592 /nfs/dbraw/zinc/93/45/92/959934592.db2.gz CUVNZPSBGYTJNQ-BSKOKIOFSA-N 0 0 249.310 2.544 20 10 BFCDRN Cc1ccc(O)c(CNc2nc(C(C)C)no2)c1 ZINC000181858001 960287676 /nfs/dbraw/zinc/28/76/76/960287676.db2.gz NMHXBOJTULXBTO-UHFFFAOYSA-N 0 0 247.298 2.819 20 10 BFCDRN [O-]c1cc(F)cc(F)c1C[NH+]1CC2CC(C2)C1 ZINC001140584418 960445096 /nfs/dbraw/zinc/44/50/96/960445096.db2.gz QDHRJEVUESPIAQ-UHFFFAOYSA-N 0 0 239.265 2.512 20 10 BFCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001140585363 960445423 /nfs/dbraw/zinc/44/54/23/960445423.db2.gz GXQHLDSENDJRPI-PELKAZGASA-N 0 0 239.265 2.655 20 10 BFCDRN Cc1ccc(O)c(CN2Cc3ccncc3C2)c1 ZINC001140620937 960465103 /nfs/dbraw/zinc/46/51/03/960465103.db2.gz IYQSSKVPAGMCGJ-UHFFFAOYSA-N 0 0 240.306 2.611 20 10 BFCDRN CN(C)c1ccc(CN2CCC2)c(Cl)c1 ZINC001140921795 960685144 /nfs/dbraw/zinc/68/51/44/960685144.db2.gz QPBZBMXPUOBRCU-UHFFFAOYSA-N 0 0 224.735 2.612 20 10 BFCDRN Cc1ccc(CN2Cc3ncsc3C2)c(O)c1 ZINC001140958249 960752797 /nfs/dbraw/zinc/75/27/97/960752797.db2.gz VWRMPDITJUUIAB-UHFFFAOYSA-N 0 0 246.335 2.673 20 10 BFCDRN CCC[N@H+](CC)Cc1cc(F)c(F)cc1[O-] ZINC001142502832 961458526 /nfs/dbraw/zinc/45/85/26/961458526.db2.gz YJHVVRCAIDRASQ-UHFFFAOYSA-N 0 0 229.270 2.902 20 10 BFCDRN CC1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142502695 961461606 /nfs/dbraw/zinc/46/16/06/961461606.db2.gz UJJMMHKGDOCJNR-UHFFFAOYSA-N 0 0 241.281 2.902 20 10 BFCDRN CC[C@H](C)[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142512770 961463981 /nfs/dbraw/zinc/46/39/81/961463981.db2.gz KHZYPVLWDVUOHC-QMMMGPOBSA-N 0 0 229.270 2.901 20 10 BFCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(F)CC1 ZINC001142508652 961469269 /nfs/dbraw/zinc/46/92/69/961469269.db2.gz GQVDZXYNZBWWLL-UHFFFAOYSA-N 0 0 245.244 2.604 20 10 BFCDRN Cc1cc(F)cnc1NCc1ccc(O)c(O)c1 ZINC001158994502 963969247 /nfs/dbraw/zinc/96/92/47/963969247.db2.gz MHCNACIOPIKPRY-UHFFFAOYSA-N 0 0 248.257 2.552 20 10 BFCDRN CCOc1cc(Nc2ccc(N)cc2)c(F)cn1 ZINC001159485590 964110678 /nfs/dbraw/zinc/11/06/78/964110678.db2.gz MZCGDNVVZPUHBF-UHFFFAOYSA-N 0 0 247.273 2.945 20 10 BFCDRN Cc1cc(C)c(CNc2cncc(C)n2)c(O)c1 ZINC001160808679 964413680 /nfs/dbraw/zinc/41/36/80/964413680.db2.gz YDZVLBIIVCWHNY-UHFFFAOYSA-N 0 0 243.310 2.720 20 10 BFCDRN Cc1cc(C)c(CNc2cnc(C)cn2)c(O)c1 ZINC001160808125 964416169 /nfs/dbraw/zinc/41/61/69/964416169.db2.gz LACQQFRCLOADSF-UHFFFAOYSA-N 0 0 243.310 2.720 20 10 BFCDRN Nc1ccc(Nc2cccc3[nH]cnc32)cc1 ZINC001213032385 964589982 /nfs/dbraw/zinc/58/99/82/964589982.db2.gz COLHQIXNPNGKNB-UHFFFAOYSA-N 0 0 224.267 2.889 20 10 BFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1C=CCC1 ZINC000698210858 965105224 /nfs/dbraw/zinc/10/52/24/965105224.db2.gz BFERCHLUNKUDJA-JTQLQIEISA-N 0 0 223.703 2.854 20 10 BFCDRN Nc1ccc(CNc2ncc(C3CC3)cn2)cc1 ZINC001162786454 965167541 /nfs/dbraw/zinc/16/75/41/965167541.db2.gz WGTIGWINJHXXCY-UHFFFAOYSA-N 0 0 240.310 2.548 20 10 BFCDRN Cc1cnc(Cl)c(NCc2ccc(N)cc2)n1 ZINC001162785447 965167953 /nfs/dbraw/zinc/16/79/53/965167953.db2.gz DTBSFUYPRZPCIA-UHFFFAOYSA-N 0 0 248.717 2.633 20 10 BFCDRN Cc1cc(NCc2ccc(N)cc2)ncc1F ZINC001162784787 965171054 /nfs/dbraw/zinc/17/10/54/965171054.db2.gz WLUQAEXOUCNRJU-UHFFFAOYSA-N 0 0 231.274 2.723 20 10 BFCDRN Cc1ccnc(NCc2ccc(N)cc2)c1F ZINC001162785876 965172664 /nfs/dbraw/zinc/17/26/64/965172664.db2.gz MWUGTYVYVFVPGD-UHFFFAOYSA-N 0 0 231.274 2.723 20 10 BFCDRN COc1ccc(C)nc1NCc1ccc(N)cc1 ZINC001162786477 965172701 /nfs/dbraw/zinc/17/27/01/965172701.db2.gz XPSHDUHXFHPAPE-UHFFFAOYSA-N 0 0 243.310 2.593 20 10 BFCDRN CNc1ccccc1NCC(=O)C(C)(C)C ZINC001164004784 965686685 /nfs/dbraw/zinc/68/66/85/965686685.db2.gz DXEOYRMICDLIPS-UHFFFAOYSA-N 0 0 220.316 2.755 20 10 BFCDRN Oc1ccccc1CN1CC(F)(F)C[C@H]1CF ZINC001203550189 966677848 /nfs/dbraw/zinc/67/78/48/966677848.db2.gz LBCWGKOVBHLIRQ-JTQLQIEISA-N 0 0 245.244 2.571 20 10 BFCDRN CC1(F)CN(Cc2cc(Cl)ccc2O)C1 ZINC001203651857 966719913 /nfs/dbraw/zinc/71/99/13/966719913.db2.gz YHZDCTFUSFJLAD-UHFFFAOYSA-N 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/nfs/dbraw/zinc/18/12/55/991181255.db2.gz YBXODXWPMPLTRX-CQSZACIVSA-N 0 0 237.343 2.947 20 10 BFCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC2(CC2)C1 ZINC001139681654 991315183 /nfs/dbraw/zinc/31/51/83/991315183.db2.gz WIPWPQFYLNUTCR-UHFFFAOYSA-N 0 0 239.265 2.656 20 10 BFCDRN Cc1ccc(C)c(CN2C[C@@H](F)[C@@H](F)C2)c1O ZINC001140178303 991553361 /nfs/dbraw/zinc/55/33/61/991553361.db2.gz HLXFSTFBJGQRKE-TXEJJXNPSA-N 0 0 241.281 2.501 20 10 BFCDRN C[C@@H]1C[C@H](F)CN1Cc1c(O)cccc1Cl ZINC001140338027 991611003 /nfs/dbraw/zinc/61/10/03/991611003.db2.gz RRODPOXZLDSLAO-BDAKNGLRSA-N 0 0 243.709 2.978 20 10 BFCDRN C[C@@H](F)CC[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001560848930 991622571 /nfs/dbraw/zinc/62/25/71/991622571.db2.gz NHRLIHDGFXCIMG-SSDOTTSWSA-N 0 0 233.233 2.508 20 10 BFCDRN Cc1cnc(C)nc1Sc1nccs1 ZINC001261252265 992222297 /nfs/dbraw/zinc/22/22/97/992222297.db2.gz DRZYOFUNIZVPMG-UHFFFAOYSA-N 0 0 223.326 2.701 20 10 BFCDRN C[C@H](N[C@@H](C)C(F)(F)F)c1ccccc1O ZINC000287437306 398143345 /nfs/dbraw/zinc/14/33/45/398143345.db2.gz UEWSEVDREXEAOL-YUMQZZPRSA-N 0 0 233.233 2.994 20 10 BFCDRN CCC(CC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000078982346 168338871 /nfs/dbraw/zinc/33/88/71/168338871.db2.gz XLQGQIAUHXYGQJ-UHFFFAOYSA-N 0 0 248.370 2.805 20 10 BFCDRN Cc1conc1NCc1cc(C)c(C)cc1O ZINC000184040288 178197264 /nfs/dbraw/zinc/19/72/64/178197264.db2.gz VMUAZDJIDWCQOS-UHFFFAOYSA-N 0 0 232.283 2.918 20 10 BFCDRN CC(C)=CCC[NH2+]Cc1cccc(F)c1[O-] ZINC000276793248 187239214 /nfs/dbraw/zinc/23/92/14/187239214.db2.gz UCBICHDYCDSRLX-UHFFFAOYSA-N 0 0 223.291 2.977 20 10 BFCDRN CCCCC[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000036797595 343324415 /nfs/dbraw/zinc/32/44/15/343324415.db2.gz IABMGZJSEUASLT-GFCCVEGCSA-N 0 0 248.370 2.896 20 10 BFCDRN Nc1ccc(CC(=O)NCCC2CCCC2)cc1 ZINC000037740074 343353627 /nfs/dbraw/zinc/35/36/27/343353627.db2.gz POHYEOCOLZXLNJ-UHFFFAOYSA-N 0 0 246.354 2.508 20 10 BFCDRN CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000047652429 343420767 /nfs/dbraw/zinc/42/07/67/343420767.db2.gz NJAOOOWQYGXDJL-UHFFFAOYSA-N 0 0 242.322 2.762 20 10 BFCDRN Cc1cc(C(=O)N(C)C)c(C)n1-c1ccccc1 ZINC000047651961 343564545 /nfs/dbraw/zinc/56/45/45/343564545.db2.gz YZPDAWKUPVJBAO-UHFFFAOYSA-N 0 0 242.322 2.796 20 10 BFCDRN C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O ZINC000144565291 345757147 /nfs/dbraw/zinc/75/71/47/345757147.db2.gz HAHWVHMWUPNZJG-SECBINFHSA-N 0 0 237.299 2.978 20 10 BFCDRN C[C@@H](C(=O)NCc1ccccc1O)C(C)(C)C ZINC000205559985 345772426 /nfs/dbraw/zinc/77/24/26/345772426.db2.gz BVYDUYSIDLSSQC-JTQLQIEISA-N 0 0 235.327 2.691 20 10 BFCDRN Cc1cccc(NCc2ccc(N)cc2)n1 ZINC000037670905 179150420 /nfs/dbraw/zinc/15/04/20/179150420.db2.gz YWPPHPRWOOYTLD-UHFFFAOYSA-N 0 0 213.284 2.584 20 10 BFCDRN Cc1ccccc1CC(=O)Nc1ccc(N)cc1 ZINC000019401971 179260428 /nfs/dbraw/zinc/26/04/28/179260428.db2.gz GLQJAWUGZODFBM-UHFFFAOYSA-N 0 0 240.306 2.758 20 10 BFCDRN C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186506600 188000098 /nfs/dbraw/zinc/00/00/98/188000098.db2.gz CFMWKXSKJADVCF-WWKJKZQJSA-N 0 0 249.354 2.678 20 10 BFCDRN COc1ccc(CNCC(F)(F)F)cc1C ZINC000035052712 188284581 /nfs/dbraw/zinc/28/45/81/188284581.db2.gz DNIWIWCWBBLHJF-UHFFFAOYSA-N 0 0 233.233 2.656 20 10 BFCDRN CC(=O)C(=O)CSc1ccc(C)cc1C ZINC000288293145 188388390 /nfs/dbraw/zinc/38/83/90/188388390.db2.gz BQDUXVBUDCCAHH-UHFFFAOYSA-N 0 0 222.309 2.554 20 10 BFCDRN CCCC[C@@H](Sc1nccs1)C(=O)OC ZINC000160656491 361324094 /nfs/dbraw/zinc/32/40/94/361324094.db2.gz RXIVHHKWWKPOPJ-MRVPVSSYSA-N 0 0 245.369 2.967 20 10 BFCDRN CC1(C)CC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000289753878 219917029 /nfs/dbraw/zinc/91/70/29/219917029.db2.gz JICPQOYRBWIKDR-LLVKDONJSA-N 0 0 223.291 2.810 20 10 BFCDRN CN(C)c1ccc(C[NH2+]Cc2ccoc2)cc1F ZINC000066991530 368672571 /nfs/dbraw/zinc/67/25/71/368672571.db2.gz OGTJZCNJMYWXFZ-UHFFFAOYSA-N 0 0 248.301 2.775 20 10 BFCDRN Nc1ccc(NC(=O)Cc2ccsc2)cc1 ZINC000020248904 181714431 /nfs/dbraw/zinc/71/44/31/181714431.db2.gz NDRXRNQLRQKRCF-UHFFFAOYSA-N 0 0 232.308 2.512 20 10 BFCDRN OCCCCCCSc1nccs1 ZINC000176631826 183046473 /nfs/dbraw/zinc/04/64/73/183046473.db2.gz UHJRPWJUOPFJID-UHFFFAOYSA-N 0 0 217.359 2.788 20 10 BFCDRN CCC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037323116 169080475 /nfs/dbraw/zinc/08/04/75/169080475.db2.gz PLAFHEAUWBBCAI-UHFFFAOYSA-N 0 0 239.290 2.576 20 10 BFCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCCSC1 ZINC000163177792 183254724 /nfs/dbraw/zinc/25/47/24/183254724.db2.gz HVCIIIOBNHOWQV-SNVBAGLBSA-N 0 0 241.331 2.517 20 10 BFCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCCC1 ZINC000294781374 183258396 /nfs/dbraw/zinc/25/83/96/183258396.db2.gz BSNMNGYMNUAZDW-UHFFFAOYSA-N 0 0 229.682 2.781 20 10 BFCDRN Oc1cc2c(cc1CNc1ccccc1)OCO2 ZINC000042879022 183262038 /nfs/dbraw/zinc/26/20/38/183262038.db2.gz VRJJVSIGQMSRLN-UHFFFAOYSA-N 0 0 243.262 2.733 20 10 BFCDRN CCC[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000113418738 169347820 /nfs/dbraw/zinc/34/78/20/169347820.db2.gz YUIBLMPZGDZHLG-LLVKDONJSA-N 0 0 235.327 2.787 20 10 BFCDRN CCN(CC)c1ccc(OC)c(OC)c1 ZINC000082712973 384260307 /nfs/dbraw/zinc/26/03/07/384260307.db2.gz XUKREMQRQYAKLW-UHFFFAOYSA-N 0 0 209.289 2.550 20 10 BFCDRN COCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000081706126 384628763 /nfs/dbraw/zinc/62/87/63/384628763.db2.gz HDXPSLIPRGELAV-VHSXEESVSA-N 0 0 241.306 2.607 20 10 BFCDRN CN(Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000083502127 384776479 /nfs/dbraw/zinc/77/64/79/384776479.db2.gz CGBYTQAMAYIGTO-UHFFFAOYSA-N 0 0 237.299 2.759 20 10 BFCDRN C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(F)cc1[O-] ZINC000164600515 385021163 /nfs/dbraw/zinc/02/11/63/385021163.db2.gz XKEUBDXKWWUWKG-GUBZILKMSA-N 0 0 223.291 2.838 20 10 BFCDRN CC(C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062744702 385183770 /nfs/dbraw/zinc/18/37/70/385183770.db2.gz LEYIQYZTOGXOJX-VIFPVBQESA-N 0 0 211.280 2.838 20 10 BFCDRN C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(F)cc1[O-] ZINC000062748380 385186535 /nfs/dbraw/zinc/18/65/35/385186535.db2.gz BRQXJAGINUKWJN-PRHODGIISA-N 0 0 223.291 2.980 20 10 BFCDRN CC[C@@H](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000191141106 385286118 /nfs/dbraw/zinc/28/61/18/385286118.db2.gz WQCPSDGVSZOMRU-GFCCVEGCSA-N 0 0 248.370 2.805 20 10 BFCDRN C[C@@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000193074994 385382489 /nfs/dbraw/zinc/38/24/89/385382489.db2.gz SVMDNOKKDPFZQH-SNVBAGLBSA-N 0 0 248.351 2.560 20 10 BFCDRN Nc1ccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1 ZINC000250003559 385595656 /nfs/dbraw/zinc/59/56/56/385595656.db2.gz RIWSFQKYTKGEHX-ITGUQSILSA-N 0 0 230.311 2.644 20 10 BFCDRN CC(C)(C)/C=C/C(=O)Nc1ccc(N)cc1 ZINC000236740623 386309591 /nfs/dbraw/zinc/30/95/91/386309591.db2.gz PERFWCLYZMVYQJ-CMDGGOBGSA-N 0 0 218.300 2.810 20 10 BFCDRN CC(=O)C(=O)CSC[C@H](C)c1ccccc1 ZINC000289732569 386348041 /nfs/dbraw/zinc/34/80/41/386348041.db2.gz SUSHOFAKTZSEIY-JTQLQIEISA-N 0 0 236.336 2.681 20 10 BFCDRN C[C@@H](Nc1ncccn1)c1ccc(N(C)C)cc1 ZINC000302343672 386922960 /nfs/dbraw/zinc/92/29/60/386922960.db2.gz CCSRONAZOLMGLB-LLVKDONJSA-N 0 0 242.326 2.716 20 10 BFCDRN CO[C@@H]1CCC[C@@H]1Sc1nccs1 ZINC000273143867 387455373 /nfs/dbraw/zinc/45/53/73/387455373.db2.gz UQVMBDPPTVJFQM-SFYZADRCSA-N 0 0 215.343 2.803 20 10 BFCDRN CCN(Cc1cccc(F)c1O)CC(F)F ZINC000273510681 389041114 /nfs/dbraw/zinc/04/11/14/389041114.db2.gz QWDDGDRGSIKTNE-UHFFFAOYSA-N 0 0 233.233 2.618 20 10 BFCDRN CCCC(=O)NCc1c(C)c2ccccc2n1C ZINC000348665088 136115611 /nfs/dbraw/zinc/11/56/11/136115611.db2.gz YOMGLFOQABIVPA-UHFFFAOYSA-N 0 0 244.338 2.903 20 10 BFCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000361055722 397971756 /nfs/dbraw/zinc/97/17/56/397971756.db2.gz WXJHKESCIHVXEC-NSHDSACASA-N 0 0 235.302 2.763 20 10 BFCDRN CC(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000293825238 167116579 /nfs/dbraw/zinc/11/65/79/167116579.db2.gz DPISCEUCZOHQBL-UHFFFAOYSA-N 0 0 217.671 2.683 20 10 BFCDRN CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000132051450 170159015 /nfs/dbraw/zinc/15/90/15/170159015.db2.gz ZFALNMRLWBYJJB-SSDOTTSWSA-N 0 0 244.132 2.825 20 10 BFCDRN CC[C@@H](C)[C@H](C)C(=O)NCc1ccccc1O ZINC000272477881 170787522 /nfs/dbraw/zinc/78/75/22/170787522.db2.gz FQINWYJMNZREIJ-MNOVXSKESA-N 0 0 235.327 2.691 20 10 BFCDRN CC[C@H](C)CC(=O)N(C)Cc1ccccc1O ZINC000189364894 171257327 /nfs/dbraw/zinc/25/73/27/171257327.db2.gz JBECUQZHGLXLLA-NSHDSACASA-N 0 0 235.327 2.787 20 10 BFCDRN CC[C@H](C)[C@H](C)C(=O)NCc1ccc(N)cc1 ZINC000297143163 171384774 /nfs/dbraw/zinc/38/47/74/171384774.db2.gz IHUBNNANPHNABI-QWRGUYRKSA-N 0 0 234.343 2.567 20 10 BFCDRN CCc1ncnc(Sc2nccs2)c1F ZINC000302002448 172033849 /nfs/dbraw/zinc/03/38/49/172033849.db2.gz QWXNBROKHNCHHW-UHFFFAOYSA-N 0 0 241.316 2.786 20 10 BFCDRN CCn1cc(N[C@H](C)c2ccc(F)cc2O)cn1 ZINC000062745857 172188560 /nfs/dbraw/zinc/18/85/60/172188560.db2.gz LCWUIKMOIXFLIV-SECBINFHSA-N 0 0 249.289 2.921 20 10 BFCDRN CN(C/C=C/Cl)c1ccc2c(c1)OCO2 ZINC000121268996 172592091 /nfs/dbraw/zinc/59/20/91/172592091.db2.gz GIVCOPFTPAWZAS-GORDUTHDSA-N 0 0 225.675 2.604 20 10 BFCDRN COCCCCC[N@H+](C)Cc1ccccc1O ZINC000116879172 174175971 /nfs/dbraw/zinc/17/59/71/174175971.db2.gz ZJNQZDDGQHKLNB-UHFFFAOYSA-N 0 0 237.343 2.641 20 10 BFCDRN C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000035407884 176079814 /nfs/dbraw/zinc/07/98/14/176079814.db2.gz SXNLBWJANLQUEE-MFKMUULPSA-N 0 0 247.342 2.969 20 10 BFCDRN C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000035407887 176087400 /nfs/dbraw/zinc/08/74/00/176087400.db2.gz SXNLBWJANLQUEE-ZWNOBZJWSA-N 0 0 247.342 2.969 20 10 BFCDRN C[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000165415633 176110084 /nfs/dbraw/zinc/11/00/84/176110084.db2.gz LCWDUJFBTNUFBT-SECBINFHSA-N 0 0 209.264 2.516 20 10 BFCDRN C[C@H](Sc1nccs1)C(=O)OC(C)(C)C ZINC000077934939 177029744 /nfs/dbraw/zinc/02/97/44/177029744.db2.gz DNXNVTUQFVYJSN-ZETCQYMHSA-N 0 0 245.369 2.965 20 10 BFCDRN C[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)[C@H]1C ZINC000050567154 177093866 /nfs/dbraw/zinc/09/38/66/177093866.db2.gz GCNWTZBQQLSAFJ-QWRGUYRKSA-N 0 0 247.342 2.921 20 10 BFCDRN C[C@H]1CC[C@@H](CC(=O)NCc2ccccc2O)C1 ZINC000268230406 177188294 /nfs/dbraw/zinc/18/82/94/177188294.db2.gz 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ZINC000843163601 588088402 /nfs/dbraw/zinc/08/84/02/588088402.db2.gz QAVNBHINNLQHNJ-UHFFFAOYSA-N 0 0 229.283 2.510 20 10 BFCDRN COc1ccc(N(C)C[C@@H]2CCO[C@H](C)C2)cc1 ZINC000844355144 588187584 /nfs/dbraw/zinc/18/75/84/588187584.db2.gz LOHYTQUYQGXXOL-CHWSQXEVSA-N 0 0 249.354 2.947 20 10 BFCDRN CC(=O)C(=O)CSc1nc(C(C)C)cs1 ZINC000845330018 588226680 /nfs/dbraw/zinc/22/66/80/588226680.db2.gz FUCFODOSLVWOCZ-UHFFFAOYSA-N 0 0 243.353 2.517 20 10 BFCDRN COc1ccc(N(C)Cc2ccn(C)c2)cc1 ZINC000845998734 588253090 /nfs/dbraw/zinc/25/30/90/588253090.db2.gz OHWGWIHCICDFDD-UHFFFAOYSA-N 0 0 230.311 2.670 20 10 BFCDRN CCCCC(=O)NCc1cc(Cl)ccc1O ZINC000846472711 588266997 /nfs/dbraw/zinc/26/69/97/588266997.db2.gz MBFBGRJSICEVCO-UHFFFAOYSA-N 0 0 241.718 2.852 20 10 BFCDRN C[C@H](O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846991291 588300546 /nfs/dbraw/zinc/30/05/46/588300546.db2.gz DUSJYDNBDNVREG-JTQLQIEISA-N 0 0 248.351 2.627 20 10 BFCDRN CN(CCCO)c1ccc(-c2nccs2)cc1 ZINC000846994264 588300992 /nfs/dbraw/zinc/30/09/92/588300992.db2.gz UIKNZPAGTRGKOS-UHFFFAOYSA-N 0 0 248.351 2.629 20 10 BFCDRN CCOCSc1ncc(Cl)s1 ZINC000850000111 588513515 /nfs/dbraw/zinc/51/35/15/588513515.db2.gz JNRNDUSDXYQJQG-UHFFFAOYSA-N 0 0 209.723 2.883 20 10 BFCDRN C[N@@H+]1CC[C@@H](CSc2ncc(Cl)s2)C1 ZINC000850000262 588513599 /nfs/dbraw/zinc/51/35/99/588513599.db2.gz ODPHSGYQKQINGJ-SSDOTTSWSA-N 0 0 248.804 2.840 20 10 BFCDRN Clc1cnc(SCCn2cccn2)s1 ZINC000849999847 588513704 /nfs/dbraw/zinc/51/37/04/588513704.db2.gz ZZIDKPLRRARONA-UHFFFAOYSA-N 0 0 245.760 2.785 20 10 BFCDRN CC[C@@H](O)CSc1ncc(Cl)s1 ZINC000850002243 588513782 /nfs/dbraw/zinc/51/37/82/588513782.db2.gz XQYCBMMDPWITDA-RXMQYKEDSA-N 0 0 223.750 2.660 20 10 BFCDRN C[C@H]([NH2+][C@@H]1C=CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850509991 588554629 /nfs/dbraw/zinc/55/46/29/588554629.db2.gz QOHITVDKDKTBRU-VHSXEESVSA-N 0 0 248.282 2.670 20 10 BFCDRN COc1ccc(N(C)CCOC(F)F)cc1F ZINC000851809120 588632068 /nfs/dbraw/zinc/63/20/68/588632068.db2.gz 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BFCDRN CC(C)OC(=O)OCSc1nccs1 ZINC000863295517 589277269 /nfs/dbraw/zinc/27/72/69/589277269.db2.gz WTZCDKAHHFSEBH-UHFFFAOYSA-N 0 0 233.314 2.754 20 10 BFCDRN CO[C@H](CN(C)c1ccc(N)cc1)C1CCCC1 ZINC000863558465 589298942 /nfs/dbraw/zinc/29/89/42/589298942.db2.gz JQMCPXKDDFOEGU-OAHLLOKOSA-N 0 0 248.370 2.910 20 10 BFCDRN Oc1ccccc1CNc1cnn2c1CCCC2 ZINC000865709311 589457663 /nfs/dbraw/zinc/45/76/63/589457663.db2.gz FIYVJEQZZQQNDI-UHFFFAOYSA-N 0 0 243.310 2.537 20 10 BFCDRN CCc1csc(N2Cc3cccc(O)c3C2)n1 ZINC000866116634 589477182 /nfs/dbraw/zinc/47/71/82/589477182.db2.gz ADANYYABRRBLKB-UHFFFAOYSA-N 0 0 246.335 2.931 20 10 BFCDRN C[C@@H](NC(=O)NC1CCCC1)c1ccccc1O ZINC000866160742 589478457 /nfs/dbraw/zinc/47/84/57/589478457.db2.gz FLAOORGGEIAGPP-SNVBAGLBSA-N 0 0 248.326 2.695 20 10 BFCDRN CC/C=C\CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868665814 589571234 /nfs/dbraw/zinc/57/12/34/589571234.db2.gz BLPYYUPBTBTOBU-IBHLPDHGSA-N 0 0 248.326 2.719 20 10 BFCDRN CC/C=C(\C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871200826 589744196 /nfs/dbraw/zinc/74/41/96/589744196.db2.gz JPYYUIUQDPKFCH-BJMVGYQFSA-N 0 0 231.295 2.591 20 10 BFCDRN CC(C)[C@@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202313 589744662 /nfs/dbraw/zinc/74/46/62/589744662.db2.gz DCJCCMJNWSEYPX-SNVBAGLBSA-N 0 0 233.311 2.527 20 10 BFCDRN O=C(CCCC1CC1)N1Cc2cccc(O)c2C1 ZINC000871205185 589745069 /nfs/dbraw/zinc/74/50/69/589745069.db2.gz QNYWSZFCUNIPOT-UHFFFAOYSA-N 0 0 245.322 2.815 20 10 BFCDRN C[C@@H]1OCC[C@@H]1COc1ccc(N(C)C)cc1 ZINC000871746340 589803543 /nfs/dbraw/zinc/80/35/43/589803543.db2.gz ZRRJHTTWEXAOCZ-NWDGAFQWSA-N 0 0 235.327 2.556 20 10 BFCDRN CC(C)Nc1ccccc1NCC[C@H](C)O ZINC000871845531 589824642 /nfs/dbraw/zinc/82/46/42/589824642.db2.gz DIGJKPVQGHNAIU-NSHDSACASA-N 0 0 222.332 2.690 20 10 BFCDRN COc1cc(C)cc(C[N@H+](C)[C@H](C)C2CC2)c1O ZINC000874090345 590090236 /nfs/dbraw/zinc/09/02/36/590090236.db2.gz BZNNRVXGWFJPSD-LLVKDONJSA-N 0 0 249.354 2.940 20 10 BFCDRN Cc1ccc(C[N@H+]2CC[C@@H]2C(C)C)c(O)c1 ZINC000876879888 590253006 /nfs/dbraw/zinc/25/30/06/590253006.db2.gz WQOFVPSVRFQVNS-CYBMUJFWSA-N 0 0 219.328 2.931 20 10 BFCDRN O=C(NC1CCCCCC1)c1cccc(O)c1O ZINC000126244415 590260549 /nfs/dbraw/zinc/26/05/49/590260549.db2.gz WNGLJJQXJZCGHE-UHFFFAOYSA-N 0 0 249.310 2.550 20 10 BFCDRN CCn1cc(NCc2ccc(C)cc2O)cn1 ZINC000877122513 590288911 /nfs/dbraw/zinc/28/89/11/590288911.db2.gz WMUMODZLVBFTKJ-UHFFFAOYSA-N 0 0 231.299 2.529 20 10 BFCDRN CCc1cc(NCc2ccc(C)cc2O)n(C)n1 ZINC000877158520 590293879 /nfs/dbraw/zinc/29/38/79/590293879.db2.gz JMKOEQOHOWDJHE-UHFFFAOYSA-N 0 0 245.326 2.609 20 10 BFCDRN Cc1ccc(C[N@H+](C)Cc2cccnc2)c(O)c1 ZINC000877169411 590295742 /nfs/dbraw/zinc/29/57/42/590295742.db2.gz OODSJDQTPSJUCW-UHFFFAOYSA-N 0 0 242.322 2.728 20 10 BFCDRN CC[C@]1(C)COCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877407173 590324168 /nfs/dbraw/zinc/32/41/68/590324168.db2.gz NGROSLHCJVDKFS-OAHLLOKOSA-N 0 0 249.354 2.702 20 10 BFCDRN CO[C@H]1CC[N@H+](Cc2c(C)cccc2O)C[C@H]1C ZINC000877566002 590360954 /nfs/dbraw/zinc/36/09/54/590360954.db2.gz UHBTYVDAABXZFD-DOMZBBRYSA-N 0 0 249.354 2.557 20 10 BFCDRN Cc1occc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702729 590396084 /nfs/dbraw/zinc/39/60/84/590396084.db2.gz FOHPHHLLTXVORA-UHFFFAOYSA-N 0 0 229.279 2.809 20 10 BFCDRN CSC1(C[N@@H+]2Cc3cccc(O)c3C2)CCC1 ZINC000877702903 590396168 /nfs/dbraw/zinc/39/61/68/590396168.db2.gz JJRLSQFSNLXSMO-UHFFFAOYSA-N 0 0 249.379 2.994 20 10 BFCDRN COc1ccc(N(C)C[C@@H]2CCO[C@@H]2C)cc1 ZINC000878801341 590624697 /nfs/dbraw/zinc/62/46/97/590624697.db2.gz JVRKSERFYAOWHH-NEPJUHHUSA-N 0 0 235.327 2.556 20 10 BFCDRN C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C[C@H]1C ZINC000130266095 591453124 /nfs/dbraw/zinc/45/31/24/591453124.db2.gz RKXSNFHDSQXVGG-GHMZBOCLSA-N 0 0 247.342 2.779 20 10 BFCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000132658839 591728718 /nfs/dbraw/zinc/72/87/18/591728718.db2.gz OPGQNUXSCVGBBH-SECBINFHSA-N 0 0 225.719 2.887 20 10 BFCDRN C[C@H]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000133212980 591779763 /nfs/dbraw/zinc/77/97/63/591779763.db2.gz BUWKHNBIXCRUGF-JOYOIKCWSA-N 0 0 233.315 2.579 20 10 BFCDRN COc1ccc(N(C)C[C@@H]2C[C@]23CCOC3)cc1 ZINC000886267777 592191040 /nfs/dbraw/zinc/19/10/40/592191040.db2.gz UXPUQOMRHKYZSV-WFASDCNBSA-N 0 0 247.338 2.558 20 10 BFCDRN CC[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886489974 592235533 /nfs/dbraw/zinc/23/55/33/592235533.db2.gz WGVBYXBLFWGOGF-BDAKNGLRSA-N 0 0 211.280 2.980 20 10 BFCDRN CC[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886489977 592235667 /nfs/dbraw/zinc/23/56/67/592235667.db2.gz WGVBYXBLFWGOGF-RKDXNWHRSA-N 0 0 211.280 2.980 20 10 BFCDRN C[C@H]([NH2+]CC1CC1)c1c([O-])cccc1F ZINC000886500099 592238221 /nfs/dbraw/zinc/23/82/21/592238221.db2.gz FTKQGIUAONXZMX-QMMMGPOBSA-N 0 0 209.264 2.592 20 10 BFCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1c([O-])cccc1F ZINC000886513351 592240130 /nfs/dbraw/zinc/24/01/30/592240130.db2.gz ZHKHYKLNEGNASR-UTLUCORTSA-N 0 0 223.291 2.838 20 10 BFCDRN C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1c([O-])cccc1F ZINC000886513350 592240827 /nfs/dbraw/zinc/24/08/27/592240827.db2.gz ZHKHYKLNEGNASR-LPEHRKFASA-N 0 0 223.291 2.838 20 10 BFCDRN CSCCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886527941 592245769 /nfs/dbraw/zinc/24/57/69/592245769.db2.gz CWKPUKSVYDSSRS-VIFPVBQESA-N 0 0 243.347 2.935 20 10 BFCDRN COC(C)(C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886540422 592253954 /nfs/dbraw/zinc/25/39/54/592253954.db2.gz DXFVRLIDGNBFNH-VIFPVBQESA-N 0 0 241.306 2.607 20 10 BFCDRN C[C@@H]([NH2+]C1CC=CC1)c1c([O-])cccc1F ZINC000886541609 592254664 /nfs/dbraw/zinc/25/46/64/592254664.db2.gz YLFWQQAKBOAKJI-SECBINFHSA-N 0 0 221.275 2.901 20 10 BFCDRN C[C@@H]([NH2+]CCCCF)c1c([O-])cccc1F ZINC000886612602 592276324 /nfs/dbraw/zinc/27/63/24/592276324.db2.gz PPIRJADAKYCAPO-SECBINFHSA-N 0 0 229.270 2.932 20 10 BFCDRN C[C@H](NCC(C)(F)F)c1c(O)cccc1F ZINC000886615548 592276355 /nfs/dbraw/zinc/27/63/55/592276355.db2.gz IUWNGTCFNGKPGN-ZETCQYMHSA-N 0 0 233.233 2.837 20 10 BFCDRN C[C@@H]([NH2+][C@H]1C=CCC1)c1c([O-])cccc1F ZINC000886636809 592284504 /nfs/dbraw/zinc/28/45/04/592284504.db2.gz VMTOZQUSDZSDSJ-ZJUUUORDSA-N 0 0 221.275 2.901 20 10 BFCDRN C/C=C/C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886643032 592287651 /nfs/dbraw/zinc/28/76/51/592287651.db2.gz JCALGSFTSGKVTL-NWALNABHSA-N 0 0 209.264 2.758 20 10 BFCDRN CCCCC1(NC(=O)c2cccc(O)c2O)CC1 ZINC000889528517 592618261 /nfs/dbraw/zinc/61/82/61/592618261.db2.gz OEMZKLABTHMRLR-UHFFFAOYSA-N 0 0 249.310 2.550 20 10 BFCDRN CCOc1ccc(N(C)Cc2ccon2)cc1 ZINC000077318671 631759529 /nfs/dbraw/zinc/75/95/29/631759529.db2.gz QBAVILCWEGOGIS-UHFFFAOYSA-N 0 0 232.283 2.710 20 10 BFCDRN C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000309063275 631829917 /nfs/dbraw/zinc/82/99/17/631829917.db2.gz XMTQRSYWHOSUMP-KCJUWKMLSA-N 0 0 225.719 2.934 20 10 BFCDRN CCCC[C@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000310619480 632807552 /nfs/dbraw/zinc/80/75/52/632807552.db2.gz LCQYYRVHFYKYQJ-LBPRGKRZSA-N 0 0 248.370 2.754 20 10 BFCDRN CN(Cc1ccccc1O)C(=O)c1ccsc1 ZINC000048606750 635876304 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CCN(Cc1cc(C)ccc1O)CC(F)F ZINC000184090993 347917855 /nfs/dbraw/zinc/91/78/55/347917855.db2.gz ZPEDHHDWPTVBLO-UHFFFAOYSA-N 0 0 229.270 2.788 20 10 BFCDRN Cc1nn(C)c(C)c1N[C@@H](C)c1ccccc1O ZINC000020134900 180345733 /nfs/dbraw/zinc/34/57/33/180345733.db2.gz PDJQWUSFYONLMH-VIFPVBQESA-N 0 0 245.326 2.916 20 10 BFCDRN CC[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000269262133 350849854 /nfs/dbraw/zinc/84/98/54/350849854.db2.gz ZSMCXTZLEBZSCK-TZMCWYRMSA-N 0 0 246.354 2.506 20 10 BFCDRN CCc1nc(C)cc(Sc2nccs2)n1 ZINC000283641237 351979828 /nfs/dbraw/zinc/97/98/28/351979828.db2.gz URLZUMIOSMFPQR-UHFFFAOYSA-N 0 0 237.353 2.955 20 10 BFCDRN CCc1nc(C)cc(NCc2ccccc2O)n1 ZINC000286009528 352070501 /nfs/dbraw/zinc/07/05/01/352070501.db2.gz AFMFHCUUBFXCRA-UHFFFAOYSA-N 0 0 243.310 2.665 20 10 BFCDRN O=[N+]([O-])c1cccnc1Sc1nccs1 ZINC000048894110 353158371 /nfs/dbraw/zinc/15/83/71/353158371.db2.gz PSSAWWLDCBHFMD-UHFFFAOYSA-N 0 0 239.281 2.598 20 10 BFCDRN CC(C)[C@H](C)CC(=O)NCCc1ccc(N)cc1 ZINC000236631023 188367840 /nfs/dbraw/zinc/36/78/40/188367840.db2.gz RYGCLOXYLOTIHG-GFCCVEGCSA-N 0 0 248.370 2.610 20 10 BFCDRN Cc1cc(CSc2nccs2)no1 ZINC000064661070 353680257 /nfs/dbraw/zinc/68/02/57/353680257.db2.gz PUTRRKSUSNTKNS-UHFFFAOYSA-N 0 0 212.299 2.732 20 10 BFCDRN O=C1CCCC[C@@H]1Sc1nccs1 ZINC000040677195 359767244 /nfs/dbraw/zinc/76/72/44/359767244.db2.gz DRGBWKLJHGGQPH-QMMMGPOBSA-N 0 0 213.327 2.747 20 10 BFCDRN CCCN(C(=O)Nc1ccc(N)cc1)C1CC1 ZINC000035408144 169044224 /nfs/dbraw/zinc/04/42/24/169044224.db2.gz GXWGRUOTBGBORP-UHFFFAOYSA-N 0 0 233.315 2.675 20 10 BFCDRN OCc1cccc(NCc2cccc(F)c2O)c1 ZINC000083376625 183168257 /nfs/dbraw/zinc/16/82/57/183168257.db2.gz SMCNEFGBTWXERO-UHFFFAOYSA-N 0 0 247.269 2.636 20 10 BFCDRN O[C@@H]1CCC[C@@H](CSc2nccs2)C1 ZINC000291712425 183193662 /nfs/dbraw/zinc/19/36/62/183193662.db2.gz PZKNYWOUROEIFH-RKDXNWHRSA-N 0 0 229.370 2.786 20 10 BFCDRN CCC[N@H+](CC)Cc1cc(F)ccc1O ZINC000226561122 169129443 /nfs/dbraw/zinc/12/94/43/169129443.db2.gz MVYRYTRDTADJMI-UHFFFAOYSA-N 0 0 211.280 2.763 20 10 BFCDRN Oc1ccc(NCc2ccc3c(c2)CCO3)cc1 ZINC000037363514 183275998 /nfs/dbraw/zinc/27/59/98/183275998.db2.gz XXSWGCIANLWXDL-UHFFFAOYSA-N 0 0 241.290 2.939 20 10 BFCDRN CCCN(Cc1ccccc1O)CC(F)F ZINC000112979393 169179454 /nfs/dbraw/zinc/17/94/54/169179454.db2.gz QTYOAGCNHYBBGP-UHFFFAOYSA-N 0 0 229.270 2.869 20 10 BFCDRN CCC[C@@H](C)CC(=O)NCc1ccccc1O ZINC000299656589 169356289 /nfs/dbraw/zinc/35/62/89/169356289.db2.gz UREPSFWFEPNLRP-LLVKDONJSA-N 0 0 235.327 2.835 20 10 BFCDRN c1csc(SCC[C@@H]2CCCO2)n1 ZINC000188977077 183521875 /nfs/dbraw/zinc/52/18/75/183521875.db2.gz VPJWHFVACBGJBM-QMMMGPOBSA-N 0 0 215.343 2.804 20 10 BFCDRN CCCC(=O)N(CCC)Cc1ccccc1O ZINC000066096765 383849096 /nfs/dbraw/zinc/84/90/96/383849096.db2.gz OBMVQCOUYASKCC-UHFFFAOYSA-N 0 0 235.327 2.931 20 10 BFCDRN CCOC[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000093839291 384271714 /nfs/dbraw/zinc/27/17/14/384271714.db2.gz MPLODLCPPFPZKQ-ZDUSSCGKSA-N 0 0 249.354 2.559 20 10 BFCDRN COCC[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162834681 384696086 /nfs/dbraw/zinc/69/60/86/384696086.db2.gz ONRAIBFUNFJZFV-VIFPVBQESA-N 0 0 243.734 2.560 20 10 BFCDRN CO[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000290908676 384947565 /nfs/dbraw/zinc/94/75/65/384947565.db2.gz MYFWYORCCHRGSL-BDAKNGLRSA-N 0 0 243.734 2.559 20 10 BFCDRN c1csc(SCCO[C@@H]2CCCCO2)n1 ZINC000187681970 384973669 /nfs/dbraw/zinc/97/36/69/384973669.db2.gz BGVZDWWOXJZTOW-SECBINFHSA-N 0 0 245.369 2.778 20 10 BFCDRN CCCCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000060678645 385095580 /nfs/dbraw/zinc/09/55/80/385095580.db2.gz RCKPUWJKIZPCCK-UHFFFAOYSA-N 0 0 248.370 2.901 20 10 BFCDRN CCCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000060678647 385096644 /nfs/dbraw/zinc/09/66/44/385096644.db2.gz NDJFYSRGGRUIEU-UHFFFAOYSA-N 0 0 234.343 2.511 20 10 BFCDRN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000191655780 385312983 /nfs/dbraw/zinc/31/29/83/385312983.db2.gz HKSKMFPCBDZPLZ-IVZWLZJFSA-N 0 0 241.306 2.605 20 10 BFCDRN CSC1(C[NH2+]Cc2cccc(C)c2O)CC1 ZINC000193365784 385394997 /nfs/dbraw/zinc/39/49/97/385394997.db2.gz VFZSCWCHMUICJX-UHFFFAOYSA-N 0 0 237.368 2.686 20 10 BFCDRN CCOCCOc1ccc(N2CCCC2)cc1 ZINC000181681907 385593650 /nfs/dbraw/zinc/59/36/50/385593650.db2.gz QJRZAHZBMFFQHA-UHFFFAOYSA-N 0 0 235.327 2.702 20 10 BFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1CF ZINC000294077004 385799163 /nfs/dbraw/zinc/79/91/63/385799163.db2.gz QVRJBOXGLVXOLN-SNVBAGLBSA-N 0 0 243.709 2.980 20 10 BFCDRN Cc1nnc(CSc2nccs2)s1 ZINC000271393314 385824072 /nfs/dbraw/zinc/82/40/72/385824072.db2.gz SCONOQJLVSEPCF-UHFFFAOYSA-N 0 0 229.355 2.595 20 10 BFCDRN CC(C)c1nnc(NCc2ccccc2O)s1 ZINC000271635373 385842599 /nfs/dbraw/zinc/84/25/99/385842599.db2.gz OQRXXVSBGKQYSV-UHFFFAOYSA-N 0 0 249.339 2.979 20 10 BFCDRN C[N@H+](CCC1CC1)Cc1cccc(F)c1[O-] ZINC000272447853 385903743 /nfs/dbraw/zinc/90/37/43/385903743.db2.gz PEIHTSDGEKSKSJ-UHFFFAOYSA-N 0 0 223.291 2.763 20 10 BFCDRN CC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273301133 385987075 /nfs/dbraw/zinc/98/70/75/385987075.db2.gz BLCLPNYHDCTLOP-BDAKNGLRSA-N 0 0 238.287 2.750 20 10 BFCDRN CCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273403576 385996539 /nfs/dbraw/zinc/99/65/39/385996539.db2.gz NTNCKAPJNACOJL-SECBINFHSA-N 0 0 238.287 2.751 20 10 BFCDRN CC[C@H]([NH2+]C[C@H](C)OC)c1ccc(F)cc1[O-] ZINC000287560268 386134846 /nfs/dbraw/zinc/13/48/46/386134846.db2.gz QDRRUYJORUVDJV-CABZTGNLSA-N 0 0 241.306 2.607 20 10 BFCDRN CC(C)C[C@@H](C)CC(=O)NCc1ccc(N)cc1 ZINC000297225914 386235357 /nfs/dbraw/zinc/23/53/57/386235357.db2.gz OINDZVWAMZDEKF-GFCCVEGCSA-N 0 0 248.370 2.957 20 10 BFCDRN CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000290091858 386394295 /nfs/dbraw/zinc/39/42/95/386394295.db2.gz HKSKMFPCBDZPLZ-UTLUCORTSA-N 0 0 241.306 2.605 20 10 BFCDRN C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000277127827 386411830 /nfs/dbraw/zinc/41/18/30/386411830.db2.gz OECYLOAPEPTQKK-SSDOTTSWSA-N 0 0 245.244 2.980 20 10 BFCDRN CC(C)c1nn(C)cc1NCc1ccccc1O ZINC000280308644 386802027 /nfs/dbraw/zinc/80/20/27/386802027.db2.gz OHJNFKYTGIRFAM-UHFFFAOYSA-N 0 0 245.326 2.861 20 10 BFCDRN CC[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])OC ZINC000290150430 386828958 /nfs/dbraw/zinc/82/89/58/386828958.db2.gz LFKDZSHEJVOJEG-GXSJLCMTSA-N 0 0 241.306 2.607 20 10 BFCDRN Cc1cnc(N(C)Cc2ccccc2O)s1 ZINC000302899182 386943349 /nfs/dbraw/zinc/94/33/49/386943349.db2.gz SCANUCRZROTYNR-UHFFFAOYSA-N 0 0 234.324 2.794 20 10 BFCDRN CC[C@H]([NH2+]CCF)c1ccc(F)cc1[O-] ZINC000287271019 387399991 /nfs/dbraw/zinc/39/99/91/387399991.db2.gz CLAPFKDZDZXTHA-JTQLQIEISA-N 0 0 215.243 2.542 20 10 BFCDRN CCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000157756475 387870224 /nfs/dbraw/zinc/87/02/24/387870224.db2.gz AWZGJFUEKKVQJK-UHFFFAOYSA-N 0 0 213.708 2.935 20 10 BFCDRN CC(C)CCC(=O)Nc1ccc(N)cc1 ZINC000020248892 166797617 /nfs/dbraw/zinc/79/76/17/166797617.db2.gz FOYPTMBIGJDDMU-UHFFFAOYSA-N 0 0 206.289 2.644 20 10 BFCDRN CC(C)OCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000168875787 167244961 /nfs/dbraw/zinc/24/49/61/167244961.db2.gz DMXYZMGOTAUJFO-SNVBAGLBSA-N 0 0 241.306 2.607 20 10 BFCDRN CC(C)[C@@H](C)CC(=O)NCCc1ccc(N)cc1 ZINC000236657773 167356249 /nfs/dbraw/zinc/35/62/49/167356249.db2.gz RYGCLOXYLOTIHG-LBPRGKRZSA-N 0 0 248.370 2.610 20 10 BFCDRN CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019488456 170125836 /nfs/dbraw/zinc/12/58/36/170125836.db2.gz LHELQOSBERNQDH-UHFFFAOYSA-N 0 0 220.099 2.809 20 10 BFCDRN CC[C@H](C)CN(CC)C(=O)Cc1ccc(N)cc1 ZINC000093249482 171277288 /nfs/dbraw/zinc/27/72/88/171277288.db2.gz KOGGMFPCCAFASV-LBPRGKRZSA-N 0 0 248.370 2.706 20 10 BFCDRN CC[C@H](C)C[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000088291750 171294305 /nfs/dbraw/zinc/29/43/05/171294305.db2.gz DAEWHJAUDJURFA-NWDGAFQWSA-N 0 0 248.370 2.752 20 10 BFCDRN CC[C@H](C)[C@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000042559646 171387467 /nfs/dbraw/zinc/38/74/67/171387467.db2.gz WZBSOKFTVDDZRT-UWVGGRQHSA-N 0 0 235.331 2.825 20 10 BFCDRN CCc1nccn1Cc1ccc(N(C)C)cc1 ZINC000292580194 172028157 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CCN(CC)c1ccc(CN(C)C(C)=O)cc1 ZINC000728219169 583851827 /nfs/dbraw/zinc/85/18/27/583851827.db2.gz ISCHUOYNEXUPOY-UHFFFAOYSA-N 0 0 234.343 2.511 20 10 BFCDRN CC[C@H]([NH2+]CC[C@@H](O)C1CC1)c1ccccc1O ZINC000898197907 584097655 /nfs/dbraw/zinc/09/76/55/584097655.db2.gz KQQAIAVEAUUPGA-UONOGXRCSA-N 0 0 249.354 2.594 20 10 BFCDRN CCC[C@@H](CC)C(=O)NCc1ccc(N)cc1 ZINC000873299524 584129294 /nfs/dbraw/zinc/12/92/94/584129294.db2.gz TVYOOQIDBNYFFO-GFCCVEGCSA-N 0 0 234.343 2.711 20 10 BFCDRN C[C@@H](Nc1cnn(CCF)c1)c1ccccc1O ZINC000858492280 588960619 /nfs/dbraw/zinc/96/06/19/588960619.db2.gz VIUQUJAMNSPNKK-SNVBAGLBSA-N 0 0 249.289 2.731 20 10 BFCDRN CO[C@H](C)Sc1ncc(Cl)s1 ZINC000901583756 584467265 /nfs/dbraw/zinc/46/72/65/584467265.db2.gz WASIAEXUHNUJSO-BYPYZUCNSA-N 0 0 209.723 2.881 20 10 BFCDRN C[C@@H]1C[C@H](C)CN(C(=O)C2=CC(=O)CS2)C1 ZINC000731865721 584930082 /nfs/dbraw/zinc/93/00/82/584930082.db2.gz DXZGPWFQTLHNNQ-DTORHVGOSA-N 0 0 239.340 2.572 20 10 BFCDRN O=C(NCCC1CCCC1)C1=CC(=O)CS1 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2.500 20 10 BFCDRN Cc1nc(CN(C)Cc2ccccc2O)c(C)o1 ZINC000851840596 588634451 /nfs/dbraw/zinc/63/44/51/588634451.db2.gz IIYXGBCTXZBZHD-UHFFFAOYSA-N 0 0 246.310 2.629 20 10 BFCDRN CCOc1cccc(NCc2ccccc2O)n1 ZINC000117865175 589136814 /nfs/dbraw/zinc/13/68/14/589136814.db2.gz XDZQSBBEMVAMRP-UHFFFAOYSA-N 0 0 244.294 2.798 20 10 BFCDRN CCC/C=C/C(=O)NCc1cc(C)ccc1O ZINC000862754474 589237657 /nfs/dbraw/zinc/23/76/57/589237657.db2.gz YYEACQYVQROOJJ-AATRIKPKSA-N 0 0 233.311 2.673 20 10 BFCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)C(C)(C)C)c1 ZINC000862760764 589237765 /nfs/dbraw/zinc/23/77/65/589237765.db2.gz UXIQWDZRLLKHTL-LLVKDONJSA-N 0 0 249.354 2.999 20 10 BFCDRN CCC1(C(=O)NCc2cc(C)ccc2O)CC1 ZINC000862757943 589237823 /nfs/dbraw/zinc/23/78/23/589237823.db2.gz JKYXVPGCFYVWQP-UHFFFAOYSA-N 0 0 233.311 2.507 20 10 BFCDRN Cc1ccc(O)c(CNC(=O)CCC2CCC2)c1 ZINC000862758387 589237840 /nfs/dbraw/zinc/23/78/40/589237840.db2.gz XFKLLUUFBZXRHD-UHFFFAOYSA-N 0 0 247.338 2.897 20 10 BFCDRN Cc1ccc(O)c(CNC(=O)CC2CCCC2)c1 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PKGHTRPKLOMZPI-UHFFFAOYSA-N 0 0 246.335 2.673 20 10 BFCDRN CCOc1ccc(N(C)C[C@H]2CCO[C@@H]2C)cc1 ZINC000878124152 590499850 /nfs/dbraw/zinc/49/98/50/590499850.db2.gz HJMCVOMDHBNBFL-CHWSQXEVSA-N 0 0 249.354 2.947 20 10 BFCDRN CCOc1ccc(N(C)C[C@@H]2CCO[C@H]2C)cc1 ZINC000878124162 590499936 /nfs/dbraw/zinc/49/99/36/590499936.db2.gz HJMCVOMDHBNBFL-STQMWFEESA-N 0 0 249.354 2.947 20 10 BFCDRN CCN(C[C@H]1C[C@@H](OC)C1)c1ccc(OC)cc1 ZINC000878219501 590526145 /nfs/dbraw/zinc/52/61/45/590526145.db2.gz MHRFJPNBKFFGLK-JNSHFYNHSA-N 0 0 249.354 2.947 20 10 BFCDRN COc1ccc(N(C)C/C=C/Cl)c(OC)c1 ZINC000131693494 591641592 /nfs/dbraw/zinc/64/15/92/591641592.db2.gz XVNVRIGGIUXMJK-QPJJXVBHSA-N 0 0 241.718 2.893 20 10 BFCDRN CCOc1ccc(CN[C@H](C)C(F)F)c(O)c1 ZINC000883406995 591650106 /nfs/dbraw/zinc/65/01/06/591650106.db2.gz HYQTZDPLWMHXEN-MRVPVSSYSA-N 0 0 245.269 2.534 20 10 BFCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000132659040 591727964 /nfs/dbraw/zinc/72/79/64/591727964.db2.gz OPGQNUXSCVGBBH-VIFPVBQESA-N 0 0 225.719 2.887 20 10 BFCDRN C[C@@H]([NH2+]CCCF)c1ccc(F)cc1[O-] ZINC000134935744 591962122 /nfs/dbraw/zinc/96/21/22/591962122.db2.gz XOIACRYXPRYKGC-MRVPVSSYSA-N 0 0 215.243 2.542 20 10 BFCDRN CCc1nccc(NCc2cc(C)ccc2O)n1 ZINC000884564693 591982470 /nfs/dbraw/zinc/98/24/70/591982470.db2.gz OHWDNYVTCKNCML-UHFFFAOYSA-N 0 0 243.310 2.665 20 10 BFCDRN COCC[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886520315 592244607 /nfs/dbraw/zinc/24/46/07/592244607.db2.gz BFYWMFUAZQEECG-ZJUUUORDSA-N 0 0 241.306 2.607 20 10 BFCDRN COC(C)(C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886540421 592254325 /nfs/dbraw/zinc/25/43/25/592254325.db2.gz DXFVRLIDGNBFNH-SECBINFHSA-N 0 0 241.306 2.607 20 10 BFCDRN C[C@@H]([NH2+]CCCF)c1c([O-])cccc1F ZINC000886551802 592259145 /nfs/dbraw/zinc/25/91/45/592259145.db2.gz OTXGIHBOZOCCJD-MRVPVSSYSA-N 0 0 215.243 2.542 20 10 BFCDRN C[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1cn[nH]c1 ZINC000886556574 592259954 /nfs/dbraw/zinc/25/99/54/592259954.db2.gz FUFHBMFNFJOJHU-IUCAKERBSA-N 0 0 249.289 2.666 20 10 BFCDRN C[C@@H]([NH2+]C1CC(F)(F)C1)c1c([O-])cccc1F ZINC000886601038 592273095 /nfs/dbraw/zinc/27/30/95/592273095.db2.gz ICSGUKUQOMGXCQ-SSDOTTSWSA-N 0 0 245.244 2.980 20 10 BFCDRN CC[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)OC ZINC000886612125 592276256 /nfs/dbraw/zinc/27/62/56/592276256.db2.gz CKCNQAQEPDZNPA-UWVGGRQHSA-N 0 0 241.306 2.607 20 10 BFCDRN CC(C)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000190670654 634402990 /nfs/dbraw/zinc/40/29/90/634402990.db2.gz SGSCBFFKISOFJW-UHFFFAOYSA-N 0 0 231.698 2.930 20 10 BFCDRN CCC1(CNC(=O)Nc2ccc(N)cc2)CCC1 ZINC000232895910 635521296 /nfs/dbraw/zinc/52/12/96/635521296.db2.gz HYEXCDOSUGIOPV-UHFFFAOYSA-N 0 0 247.342 2.971 20 10 BFCDRN Cc1cccc(CNc2cccc(CO)c2)c1O ZINC000083371524 631424183 /nfs/dbraw/zinc/42/41/83/631424183.db2.gz CNXHQCHNWFTHGL-UHFFFAOYSA-N 0 0 243.306 2.805 20 10 BFCDRN Cc1nsc(N[C@H](C)c2ccccc2O)n1 ZINC000309748343 632664589 /nfs/dbraw/zinc/66/45/89/632664589.db2.gz GDCPCCYOOKAFRB-SSDOTTSWSA-N 0 0 235.312 2.725 20 10 BFCDRN CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000310169402 632705124 /nfs/dbraw/zinc/70/51/24/632705124.db2.gz PCPSGOOBGQZKMP-ZJUUUORDSA-N 0 0 241.306 2.607 20 10 BFCDRN C[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(N)cc1 ZINC000164529328 633079188 /nfs/dbraw/zinc/07/91/88/633079188.db2.gz FPQRKTFWPWNJLF-VHSXEESVSA-N 0 0 233.315 2.531 20 10 BFCDRN CO[C@@H](C)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000310169396 634084150 /nfs/dbraw/zinc/08/41/50/634084150.db2.gz PCPSGOOBGQZKMP-UWVGGRQHSA-N 0 0 241.306 2.607 20 10 BFCDRN CC(C)N(C(=O)Cc1ccc(N)cc1)C1CCC1 ZINC000236698969 634316383 /nfs/dbraw/zinc/31/63/83/634316383.db2.gz PYTHYLDUWMJQHV-UHFFFAOYSA-N 0 0 246.354 2.601 20 10 BFCDRN CCCCN1CCc2cc(OC)ccc21 ZINC000728053373 636238152 /nfs/dbraw/zinc/23/81/52/636238152.db2.gz YUNRLDCQHYCYTO-UHFFFAOYSA-N 0 0 205.301 2.858 20 10 BFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CC=CCC1 ZINC000928707828 636340980 /nfs/dbraw/zinc/34/09/80/636340980.db2.gz CMSGITWFWNNCSP-SNVBAGLBSA-N 0 0 249.285 2.504 20 10 BFCDRN CCCCN(C)c1ccc2c(c1)OCO2 ZINC000034116448 636710738 /nfs/dbraw/zinc/71/07/38/636710738.db2.gz DZPYREIJVPWBRX-UHFFFAOYSA-N 0 0 207.273 2.652 20 10 BFCDRN C[C@@H]1CC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000133212783 636710788 /nfs/dbraw/zinc/71/07/88/636710788.db2.gz BUWKHNBIXCRUGF-BXKDBHETSA-N 0 0 233.315 2.579 20 10 BFCDRN Nc1ccc(NC(=O)c2ccc(Cl)o2)cc1 ZINC000059974170 640841436 /nfs/dbraw/zinc/84/14/36/640841436.db2.gz RZJZNZCRBRUVMJ-UHFFFAOYSA-N 0 0 236.658 2.768 20 10 BFCDRN COc1cccc(CSc2nccs2)n1 ZINC000171990461 641027042 /nfs/dbraw/zinc/02/70/42/641027042.db2.gz QQUDHZQKIVTNRF-UHFFFAOYSA-N 0 0 238.337 2.839 20 10 BFCDRN C[C@H]([NH2+]Cc1ccco1)c1ccc(F)cc1[O-] ZINC000062744664 641085206 /nfs/dbraw/zinc/08/52/06/641085206.db2.gz STSHRRVPYWVILT-VIFPVBQESA-N 0 0 235.258 2.975 20 10 BFCDRN C[C@@H]([NH2+]Cc1cccnc1)c1ccc(F)cc1[O-] ZINC000062745091 641087119 /nfs/dbraw/zinc/08/71/19/641087119.db2.gz TUPYQJCPBOEGLR-SNVBAGLBSA-N 0 0 246.285 2.777 20 10 BFCDRN CCCCC1(C(=O)NCc2ccccc2O)CC1 ZINC000934934810 641306168 /nfs/dbraw/zinc/30/61/68/641306168.db2.gz ANQRHNSOKZATSG-UHFFFAOYSA-N 0 0 247.338 2.979 20 10 BFCDRN COc1ccc(N(C)CCCF)cc1F ZINC000151834383 641465775 /nfs/dbraw/zinc/46/57/75/641465775.db2.gz BGNMPMOAAGUIPY-UHFFFAOYSA-N 0 0 215.243 2.630 20 10 BFCDRN C[C@H]([NH2+]CCCCF)c1ccc(F)cc1[O-] ZINC000381046085 711505062 /nfs/dbraw/zinc/50/50/62/711505062.db2.gz HAXYBWVKMXIQHE-VIFPVBQESA-N 0 0 229.270 2.932 20 10 BFCDRN CC1(CNC(=O)C2=CC(=O)CS2)CCCC1 ZINC000732289763 641829132 /nfs/dbraw/zinc/82/91/32/641829132.db2.gz CPWWQTNFAYWHEP-UHFFFAOYSA-N 0 0 239.340 2.764 20 10 BFCDRN C/C=C/C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000916502478 641941790 /nfs/dbraw/zinc/94/17/90/641941790.db2.gz GLNHRFCBVWKPTR-QPJJXVBHSA-N 0 0 246.354 2.725 20 10 BFCDRN COc1ccc(O)c([C@H](C)NC(=O)C=C(C)C)c1 ZINC000154473625 642101660 /nfs/dbraw/zinc/10/16/60/642101660.db2.gz KBQMXUXSEHSFAK-JTQLQIEISA-N 0 0 249.310 2.544 20 10 BFCDRN O=C(OCSc1ncc(Cl)s1)C1CC1 ZINC000918096849 642169214 /nfs/dbraw/zinc/16/92/14/642169214.db2.gz YLVDMICFJPQLPK-UHFFFAOYSA-N 0 0 249.744 2.799 20 10 BFCDRN c1csc(SCCOCC2CC2)n1 ZINC000185532724 643325121 /nfs/dbraw/zinc/32/51/21/643325121.db2.gz SPLPRMKBIHGNGT-UHFFFAOYSA-N 0 0 215.343 2.662 20 10 BFCDRN C[C@@H](O)[C@H](C)Sc1ncc(Cl)s1 ZINC000307287724 643432679 /nfs/dbraw/zinc/43/26/79/643432679.db2.gz VRFGJXBEXDDIJU-UHNVWZDZSA-N 0 0 223.750 2.658 20 10 BFCDRN CN(Cc1ccccc1O)C(=O)c1ccccc1 ZINC000048606734 643603436 /nfs/dbraw/zinc/60/34/36/643603436.db2.gz JRRJLZHMKHYQEM-UHFFFAOYSA-N 0 0 241.290 2.664 20 10 BFCDRN CC[C@@H](C)N1CCOc2cc(N(C)C)ccc21 ZINC000192780716 644183188 /nfs/dbraw/zinc/18/31/88/644183188.db2.gz DDJHDWBRFWSEKV-LLVKDONJSA-N 0 0 234.343 2.750 20 10 BFCDRN COC[C@H](C)CN1CCCc2cc(OC)ccc21 ZINC000783664322 644757343 /nfs/dbraw/zinc/75/73/43/644757343.db2.gz ITEVVJCLWVWPGM-GFCCVEGCSA-N 0 0 249.354 2.730 20 10 BFCDRN CC(C)[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827969825 645089275 /nfs/dbraw/zinc/08/92/75/645089275.db2.gz RMENEPJWLZPFHM-WCFLWFBJSA-N 0 0 247.338 2.862 20 10 BFCDRN CC(C)=CC(=O)NCc1ccc(N(C)C)cc1C ZINC000115279574 645582582 /nfs/dbraw/zinc/58/25/82/645582582.db2.gz GRLGAFJSAVKNMG-UHFFFAOYSA-N 0 0 246.354 2.643 20 10 BFCDRN CCC[C@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000035407608 646391879 /nfs/dbraw/zinc/39/18/79/646391879.db2.gz FDLVYLXTOPTUSS-VIFPVBQESA-N 0 0 221.304 2.579 20 10 BFCDRN CC1(C)CC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703345886 712072511 /nfs/dbraw/zinc/07/25/11/712072511.db2.gz CKKMKMCQJAFXPL-SNVBAGLBSA-N 0 0 241.281 2.949 20 10 BFCDRN CCCC[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708402994 712192953 /nfs/dbraw/zinc/19/29/53/712192953.db2.gz YJVSNVWLCICHIS-UHFFFAOYSA-N 0 0 229.270 2.902 20 10 BFCDRN C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000708444673 712195099 /nfs/dbraw/zinc/19/50/99/712195099.db2.gz SYIQRSPAQMIGJL-QMMMGPOBSA-N 0 0 241.281 2.806 20 10 BFCDRN CC(F)(F)CNCc1c(O)cccc1Cl ZINC000378757286 712361129 /nfs/dbraw/zinc/36/11/29/712361129.db2.gz TVCGOSKJHCENNT-UHFFFAOYSA-N 0 0 235.661 2.790 20 10 BFCDRN C[C@@H](NCC(C)(F)F)c1ccc(F)cc1O ZINC000378859716 712363728 /nfs/dbraw/zinc/36/37/28/712363728.db2.gz NSZKQPKBTDLCFN-SSDOTTSWSA-N 0 0 233.233 2.837 20 10 BFCDRN C[C@H]1CN(C(=O)Nc2ccc(N)cc2)C(C)(C)C1 ZINC000380560217 712901505 /nfs/dbraw/zinc/90/15/05/712901505.db2.gz KWPWVKXBJHWVDW-SNVBAGLBSA-N 0 0 247.342 2.921 20 10 BFCDRN Nc1ccc(NC(=O)N2CCC3(CCC3)C2)cc1 ZINC000380584798 712901734 /nfs/dbraw/zinc/90/17/34/712901734.db2.gz ZKBUEVVUWJLTQV-UHFFFAOYSA-N 0 0 245.326 2.677 20 10 BFCDRN C[C@@H](N(C)C(=O)Nc1ccc(N)cc1)C1(C)CC1 ZINC000385486685 711013641 /nfs/dbraw/zinc/01/36/41/711013641.db2.gz CTHRYEQXAQMZKA-SNVBAGLBSA-N 0 0 247.342 2.921 20 10 BFCDRN Nc1ccc(NC(=O)N[C@@H]2CC23CCCC3)cc1 ZINC000387145848 711040529 /nfs/dbraw/zinc/04/05/29/711040529.db2.gz OLDUUVZBRNRQDE-GFCCVEGCSA-N 0 0 245.326 2.723 20 10 BFCDRN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(F)F)c1 ZINC000389916362 711097108 /nfs/dbraw/zinc/09/71/08/711097108.db2.gz NDUKYIULPLVVJQ-SFYZADRCSA-N 0 0 245.269 2.705 20 10 BFCDRN C[C@H](N[C@@H]1CCc2cccc(O)c21)C(F)F ZINC000389930886 711098763 /nfs/dbraw/zinc/09/87/63/711098763.db2.gz DMONVQXJLSZTMA-IONNQARKSA-N 0 0 227.254 2.623 20 10 BFCDRN CC[C@@H]([NH2+]CCSC)c1ccc(F)cc1[O-] ZINC000390674438 711132636 /nfs/dbraw/zinc/13/26/36/711132636.db2.gz WTLXVQMYWJOVDO-LLVKDONJSA-N 0 0 243.347 2.935 20 10 BFCDRN Oc1ccccc1CN[C@@H]1CCCC1(F)F ZINC000390781845 711135058 /nfs/dbraw/zinc/13/50/58/711135058.db2.gz KPXCHXIYQJZXMM-LLVKDONJSA-N 0 0 227.254 2.670 20 10 BFCDRN C[C@@H](NCc1cocn1)c1ccc(N(C)C)cc1 ZINC000397946030 711398301 /nfs/dbraw/zinc/39/83/01/711398301.db2.gz WYAJNHOUUVRAEO-LLVKDONJSA-N 0 0 245.326 2.591 20 10 BFCDRN CC[C@H]1[C@@H](C)CCN1C(=O)Nc1ccc(N)cc1 ZINC000384087627 710601347 /nfs/dbraw/zinc/60/13/47/710601347.db2.gz FVPGOBUPOIQVPB-GWCFXTLKSA-N 0 0 247.342 2.921 20 10 BFCDRN CCN(CCC1CC1)C(=O)Nc1ccc(N)cc1 ZINC000385525614 711014122 /nfs/dbraw/zinc/01/41/22/711014122.db2.gz WVHQBUBRNIELTK-UHFFFAOYSA-N 0 0 247.342 2.923 20 10 BFCDRN CC(C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000190673539 711776033 /nfs/dbraw/zinc/77/60/33/711776033.db2.gz SSGDNMOIRNTHGG-UHFFFAOYSA-N 0 0 217.671 2.683 20 10 BFCDRN C/C(=C\C(=O)NCc1c(O)cccc1F)C1CC1 ZINC000928712555 711786180 /nfs/dbraw/zinc/78/61/80/711786180.db2.gz SQDFISLZRJZKTI-VQHVLOKHSA-N 0 0 249.285 2.504 20 10 BFCDRN CC/C=C(\C)C(=O)N(C)c1ccc(N)cc1 ZINC000702068789 712037605 /nfs/dbraw/zinc/03/76/05/712037605.db2.gz GWVGMSNZIDHJTR-BJMVGYQFSA-N 0 0 218.300 2.588 20 10 BFCDRN CC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703255195 712069977 /nfs/dbraw/zinc/06/99/77/712069977.db2.gz GLJAFFMRSDBACK-SSDOTTSWSA-N 0 0 215.243 2.559 20 10 BFCDRN [O-]c1c(C[NH2+][C@@H]2CC=CCC2)ccc(F)c1F ZINC000703327723 712070571 /nfs/dbraw/zinc/07/05/71/712070571.db2.gz JFIVZPRRZHOVGO-SNVBAGLBSA-N 0 0 239.265 2.869 20 10 BFCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000703297048 712071513 /nfs/dbraw/zinc/07/15/13/712071513.db2.gz YKADSGMOGIWLFG-ZETCQYMHSA-N 0 0 227.254 2.559 20 10 BFCDRN CCC(CC)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703306814 712071922 /nfs/dbraw/zinc/07/19/22/712071922.db2.gz DNMHKSUMAVFBJF-UHFFFAOYSA-N 0 0 229.270 2.949 20 10 BFCDRN C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703346929 712072685 /nfs/dbraw/zinc/07/26/85/712072685.db2.gz GCEOYCVQJFKSSV-WPRPVWTQSA-N 0 0 241.281 2.949 20 10 BFCDRN C[C@H]1CC[C@H](C)N1C(=O)Nc1ccc(N)cc1 ZINC000706307363 712143316 /nfs/dbraw/zinc/14/33/16/712143316.db2.gz NYZYHOBCZPECFU-UWVGGRQHSA-N 0 0 233.315 2.674 20 10 BFCDRN C[C@@H]1CC[C@H](C)N1C(=O)Nc1ccc(N)cc1 ZINC000706307356 712143334 /nfs/dbraw/zinc/14/33/34/712143334.db2.gz NYZYHOBCZPECFU-AOOOYVTPSA-N 0 0 233.315 2.674 20 10 BFCDRN C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708402886 712192694 /nfs/dbraw/zinc/19/26/94/712192694.db2.gz XHOUNLIXZGTIDO-RKDXNWHRSA-N 0 0 241.281 2.901 20 10 BFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1CC(F)(F)C1 ZINC000708495551 712212165 /nfs/dbraw/zinc/21/21/65/712212165.db2.gz YXAPZEGCFHRMKX-UHFFFAOYSA-N 0 0 249.207 2.558 20 10 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ZINC000232617192 363376682 /nfs/dbraw/zinc/37/66/82/363376682.db2.gz RYZLPNWSZAOXRE-UHFFFAOYSA-N 0 0 209.264 2.587 20 10 BFCDRN NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000080540584 181249749 /nfs/dbraw/zinc/24/97/49/181249749.db2.gz JXLFATCZSFGRLF-UHFFFAOYSA-N 0 0 248.326 2.606 20 10 BFCDRN CC(C)c1nc(CSc2nccs2)no1 ZINC000064669921 360952679 /nfs/dbraw/zinc/95/26/79/360952679.db2.gz WERSUPIPVMEEJT-UHFFFAOYSA-N 0 0 241.341 2.942 20 10 BFCDRN Cc1nnc([C@H](C)Sc2nccs2)o1 ZINC000066409855 368647333 /nfs/dbraw/zinc/64/73/33/368647333.db2.gz QVIUCQZDAPOJRH-YFKPBYRVSA-N 0 0 227.314 2.688 20 10 BFCDRN O=C1CCC(CSc2nccs2)CC1 ZINC000285382675 182723863 /nfs/dbraw/zinc/72/38/63/182723863.db2.gz WOFLNAWOFSWYAJ-UHFFFAOYSA-N 0 0 227.354 2.995 20 10 BFCDRN CCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191179497 169287345 /nfs/dbraw/zinc/28/73/45/169287345.db2.gz UBVNXBBAGIGFGS-SSDOTTSWSA-N 0 0 215.243 2.731 20 10 BFCDRN C[C@@H](CCCCO)[NH2+][C@@H](C)c1ccccc1O ZINC000296266974 384011463 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589384411 /nfs/dbraw/zinc/38/44/11/589384411.db2.gz JGZYWOUYIDHHHV-UHFFFAOYSA-N 0 0 230.315 2.537 20 10 BFCDRN Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc1C ZINC000865690284 589456086 /nfs/dbraw/zinc/45/60/86/589456086.db2.gz DUNGLZUPYOFAQE-SGMGOOAPSA-N 0 0 249.354 2.665 20 10 BFCDRN Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc1C ZINC000865690283 589456183 /nfs/dbraw/zinc/45/61/83/589456183.db2.gz DUNGLZUPYOFAQE-OUCADQQQSA-N 0 0 249.354 2.665 20 10 BFCDRN CCOCCCN(C)c1ccc(OCC)cc1 ZINC000121861803 589535985 /nfs/dbraw/zinc/53/59/85/589535985.db2.gz ZFIIWAMQZJYTLO-UHFFFAOYSA-N 0 0 237.343 2.948 20 10 BFCDRN C[C@H](NC(=O)OCCCF)c1ccccc1O ZINC000867836549 589536224 /nfs/dbraw/zinc/53/62/24/589536224.db2.gz XIBGQUHVDHSQNS-VIFPVBQESA-N 0 0 241.262 2.539 20 10 BFCDRN O=C(N[C@]12C[C@H]1CCCC2)C1=CC(=O)CS1 ZINC000870535781 589672172 /nfs/dbraw/zinc/67/21/72/589672172.db2.gz NRDUTLJSKJIFOF-PRHODGIISA-N 0 0 237.324 2.516 20 10 BFCDRN O=C(CCC1CCC1)N1Cc2cccc(O)c2C1 ZINC000871202765 589742058 /nfs/dbraw/zinc/74/20/58/589742058.db2.gz FMKUSKVUFKAUEC-UHFFFAOYSA-N 0 0 245.322 2.815 20 10 BFCDRN CCC(C)(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871201662 589744393 /nfs/dbraw/zinc/74/43/93/589744393.db2.gz YBOOVHGGFRGRQZ-UHFFFAOYSA-N 0 0 233.311 2.671 20 10 BFCDRN CC1(C(=O)N2Cc3cccc(O)c3C2)CCCC1 ZINC000871200551 589744547 /nfs/dbraw/zinc/74/45/47/589744547.db2.gz GEJUDDRECBDNGK-UHFFFAOYSA-N 0 0 245.322 2.815 20 10 BFCDRN O=C(C=C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871200550 589744743 /nfs/dbraw/zinc/74/47/43/589744743.db2.gz GDSRKJOCQRGALA-UHFFFAOYSA-N 0 0 243.306 2.735 20 10 BFCDRN CC[C@@H](C)[C@@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204622 589745103 /nfs/dbraw/zinc/74/51/03/589745103.db2.gz MKNWKYGCSBDFPN-GHMZBOCLSA-N 0 0 247.338 2.917 20 10 BFCDRN C[C@H]1OCC[C@H]1COc1ccc(N(C)C)cc1 ZINC000871746339 589803350 /nfs/dbraw/zinc/80/33/50/589803350.db2.gz ZRRJHTTWEXAOCZ-NEPJUHHUSA-N 0 0 235.327 2.556 20 10 BFCDRN CCC(CC)CNC(=O)Nc1ccc(N)cc1 ZINC000125153685 590126820 /nfs/dbraw/zinc/12/68/20/590126820.db2.gz GHYQBPIATXKLJB-UHFFFAOYSA-N 0 0 235.331 2.827 20 10 BFCDRN COc1ccc2c(c1)CCN2CCC[C@H]1CCO1 ZINC000876514924 590206428 /nfs/dbraw/zinc/20/64/28/590206428.db2.gz VMJTTZNOJGSHQV-ZDUSSCGKSA-N 0 0 247.338 2.627 20 10 BFCDRN CC1(C)CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000876743235 590235867 /nfs/dbraw/zinc/23/58/67/590235867.db2.gz CRRHZWRALBUYSX-UHFFFAOYSA-N 0 0 227.254 2.655 20 10 BFCDRN Cc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000126187620 590246440 /nfs/dbraw/zinc/24/64/40/590246440.db2.gz ARGFJNFKBXZUQD-UHFFFAOYSA-N 0 0 243.262 2.659 20 10 BFCDRN CC[C@H](C)[C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877075315 590278263 /nfs/dbraw/zinc/27/82/63/590278263.db2.gz CKUWHLYLFHKZEQ-WDEREUQCSA-N 0 0 234.343 2.914 20 10 BFCDRN C[C@@H]1CC/C(=C\C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877078444 590279085 /nfs/dbraw/zinc/27/90/85/590279085.db2.gz PWKHYNKINGWDPR-KPMWUXBGSA-N 0 0 244.338 2.978 20 10 BFCDRN Cc1cccc(O)c1C[N@@H+]1CCCSCC1 ZINC000877170431 590296080 /nfs/dbraw/zinc/29/60/80/590296080.db2.gz NTYGRHJOJLIENC-UHFFFAOYSA-N 0 0 237.368 2.640 20 10 BFCDRN CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877407172 590324112 /nfs/dbraw/zinc/32/41/12/590324112.db2.gz NGROSLHCJVDKFS-HNNXBMFYSA-N 0 0 249.354 2.702 20 10 BFCDRN CC[C@H](NCc1ccc(C)cc1O)C(F)F ZINC000877556187 590357730 /nfs/dbraw/zinc/35/77/30/590357730.db2.gz BGYFLRJKHZKBHD-JTQLQIEISA-N 0 0 229.270 2.834 20 10 BFCDRN COCCCC[N@H+](C)Cc1c(C)cccc1O ZINC000877594034 590369224 /nfs/dbraw/zinc/36/92/24/590369224.db2.gz NEHBTBNXBNKAHI-UHFFFAOYSA-N 0 0 237.343 2.559 20 10 BFCDRN CC[C@H]1C[N@H+](Cc2ccc(C)cc2O)[C@@H](C)CO1 ZINC000877611163 590372913 /nfs/dbraw/zinc/37/29/13/590372913.db2.gz XJTXUZCUTVFXOQ-JSGCOSHPSA-N 0 0 249.354 2.700 20 10 BFCDRN COc1ccc(N(C)Cc2ccns2)cc1 ZINC000877609054 590372977 /nfs/dbraw/zinc/37/29/77/590372977.db2.gz DSYHCWGTTQKBDY-UHFFFAOYSA-N 0 0 234.324 2.788 20 10 BFCDRN CCC(F)(F)CNCc1ccc(C)cc1O ZINC000877654419 590385498 /nfs/dbraw/zinc/38/54/98/590385498.db2.gz COERXJPRHROGDU-UHFFFAOYSA-N 0 0 229.270 2.836 20 10 BFCDRN CC(C)(F)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877663553 590388190 /nfs/dbraw/zinc/38/81/90/590388190.db2.gz UIWYFPDVRFFBOB-UHFFFAOYSA-N 0 0 233.233 2.508 20 10 BFCDRN CCn1ncc(NCc2cc(F)ccc2O)c1C ZINC000877832187 590430129 /nfs/dbraw/zinc/43/01/29/590430129.db2.gz HPIPKJCSUVCCGP-UHFFFAOYSA-N 0 0 249.289 2.668 20 10 BFCDRN CCn1ncc(NCc2c(C)cccc2O)c1C ZINC000877834182 590430818 /nfs/dbraw/zinc/43/08/18/590430818.db2.gz ZKKWLUTXQQTIMU-UHFFFAOYSA-N 0 0 245.326 2.838 20 10 BFCDRN COc1ccc(N(C)Cc2nocc2C)cc1 ZINC000878801534 590625154 /nfs/dbraw/zinc/62/51/54/590625154.db2.gz KTDADXDTGUTDFD-UHFFFAOYSA-N 0 0 232.283 2.628 20 10 BFCDRN C[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000128526930 591111047 /nfs/dbraw/zinc/11/10/47/591111047.db2.gz BGUULALWPDGSRN-GXSJLCMTSA-N 0 0 223.291 2.810 20 10 BFCDRN CC(C)(C)c1nnc(NCc2ccccc2O)o1 ZINC000881872513 591275933 /nfs/dbraw/zinc/27/59/33/591275933.db2.gz LEGRVTRDULQSTB-UHFFFAOYSA-N 0 0 247.298 2.685 20 10 BFCDRN CCc1nc(C)c(CN(C)c2ccc(N)cc2)o1 ZINC000883437116 591666322 /nfs/dbraw/zinc/66/63/22/591666322.db2.gz JWGJKLPZSDFSHM-UHFFFAOYSA-N 0 0 245.326 2.764 20 10 BFCDRN C[C@@H]([NH2+]CCCF)c1cc(F)cc(F)c1[O-] ZINC000134936261 591961633 /nfs/dbraw/zinc/96/16/33/591961633.db2.gz DMWVRIUQJMPJMT-SSDOTTSWSA-N 0 0 233.233 2.681 20 10 BFCDRN C[C@H](NCc1ccc(N(C)C)cc1)c1ncco1 ZINC000886276130 592195733 /nfs/dbraw/zinc/19/57/33/592195733.db2.gz XSXXDGKDEMZOBN-NSHDSACASA-N 0 0 245.326 2.591 20 10 BFCDRN COCCCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886504271 592238682 /nfs/dbraw/zinc/23/86/82/592238682.db2.gz YIYUELOTDZLHPI-SNVBAGLBSA-N 0 0 241.306 2.609 20 10 BFCDRN COCC[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886520312 592244241 /nfs/dbraw/zinc/24/42/41/592244241.db2.gz BFYWMFUAZQEECG-NXEZZACHSA-N 0 0 241.306 2.607 20 10 BFCDRN CSC[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886530786 592247839 /nfs/dbraw/zinc/24/78/39/592247839.db2.gz QEUGJCFTHHJTOH-RKDXNWHRSA-N 0 0 243.347 2.933 20 10 BFCDRN CCn1cc(N[C@@H](C)c2c(O)cccc2F)cn1 ZINC000886578460 592267740 /nfs/dbraw/zinc/26/77/40/592267740.db2.gz XQARWIBWFJYGHW-VIFPVBQESA-N 0 0 249.289 2.921 20 10 BFCDRN C[C@@H]([NH2+][C@@H]1C=CCC1)c1c([O-])cccc1F ZINC000886636806 592286214 /nfs/dbraw/zinc/28/62/14/592286214.db2.gz VMTOZQUSDZSDSJ-NXEZZACHSA-N 0 0 221.275 2.901 20 10 BFCDRN C[C@H](C(=O)Nc1ccc(N)cc1)C(C)(C)C ZINC000220439929 592310291 /nfs/dbraw/zinc/31/02/91/592310291.db2.gz QSMZDXOXBKOWKP-SECBINFHSA-N 0 0 220.316 2.890 20 10 BFCDRN CCC1(NC(=O)Nc2ccc(N)cc2)CCC1 ZINC000229508914 635471593 /nfs/dbraw/zinc/47/15/93/635471593.db2.gz AXODMRUTWDXNKE-UHFFFAOYSA-N 0 0 233.315 2.723 20 10 BFCDRN CCN(CC)C(=S)Sc1nccs1 ZINC000308467464 631355204 /nfs/dbraw/zinc/35/52/04/631355204.db2.gz JKRUHHRUDYROKL-UHFFFAOYSA-N 0 0 232.399 2.862 20 10 BFCDRN COc1ccc(N(C)C/C=C\Cl)c(OC)c1 ZINC000255513567 631901455 /nfs/dbraw/zinc/90/14/55/631901455.db2.gz XVNVRIGGIUXMJK-DAXSKMNVSA-N 0 0 241.718 2.893 20 10 BFCDRN C[C@@H]1SCC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000309845920 632675317 /nfs/dbraw/zinc/67/53/17/632675317.db2.gz TXFVQNZQDNPVLP-KWQFWETISA-N 0 0 241.331 2.515 20 10 BFCDRN C[C@@H]1C[C@@H](C)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000164529211 633079761 /nfs/dbraw/zinc/07/97/61/633079761.db2.gz FPQRKTFWPWNJLF-NXEZZACHSA-N 0 0 233.315 2.531 20 10 BFCDRN COC(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000168823230 633150739 /nfs/dbraw/zinc/15/07/39/633150739.db2.gz MJCAYYFWGSQMGD-SECBINFHSA-N 0 0 241.306 2.607 20 10 BFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CC=CC1 ZINC000309495925 633178943 /nfs/dbraw/zinc/17/89/43/633178943.db2.gz KDVVBFLLEXMQBH-UHFFFAOYSA-N 0 0 241.693 2.993 20 10 BFCDRN Cc1nnc(Sc2nccs2)n1C(C)C ZINC000893277740 634041757 /nfs/dbraw/zinc/04/17/57/634041757.db2.gz UTLLOZYSALMKDR-UHFFFAOYSA-N 0 0 240.357 2.775 20 10 BFCDRN Cc1conc1COc1ccc(N(C)C)cc1 ZINC000871745513 636495897 /nfs/dbraw/zinc/49/58/97/636495897.db2.gz OQUQHVPZCKTSDO-UHFFFAOYSA-N 0 0 232.283 2.628 20 10 BFCDRN C[C@H](CNC(=O)Cc1ccc(N)cc1)C(C)(C)C ZINC000149230674 638241845 /nfs/dbraw/zinc/24/18/45/638241845.db2.gz DAYXNLAWMRFOHS-LLVKDONJSA-N 0 0 248.370 2.610 20 10 BFCDRN C[C@@H]1C[C@H](C)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000164528977 640490516 /nfs/dbraw/zinc/49/05/16/640490516.db2.gz FPQRKTFWPWNJLF-ZJUUUORDSA-N 0 0 233.315 2.531 20 10 BFCDRN CN(C)c1ccc(/C=C/c2ccncn2)cc1F ZINC000157295957 640660547 /nfs/dbraw/zinc/66/05/47/640660547.db2.gz BEXZTVKYMFGTAN-HWKANZROSA-N 0 0 243.285 2.852 20 10 BFCDRN Cc1ccc(O)c(CNc2ccc(F)nc2)c1 ZINC000225943303 640718958 /nfs/dbraw/zinc/71/89/58/640718958.db2.gz GHRCLUZWXDOHMY-UHFFFAOYSA-N 0 0 232.258 2.847 20 10 BFCDRN CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748348 641091859 /nfs/dbraw/zinc/09/18/59/641091859.db2.gz IQONSKSADRUGQN-UWVGGRQHSA-N 0 0 241.306 2.607 20 10 BFCDRN CN(Cc1ccccc1O)C(=O)[C@]1(C)C=CCC1 ZINC000934705132 641250939 /nfs/dbraw/zinc/25/09/39/641250939.db2.gz QVPMETQHCQEOEW-OAHLLOKOSA-N 0 0 245.322 2.707 20 10 BFCDRN CC(C)[C@@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000088846022 641396685 /nfs/dbraw/zinc/39/66/85/641396685.db2.gz IUGUQVMGSAQVMX-ZDUSSCGKSA-N 0 0 247.342 2.921 20 10 BFCDRN COc1ccc(CNCc2cc(C)on2)cc1C ZINC000044412173 641601586 /nfs/dbraw/zinc/60/15/86/641601586.db2.gz DOSRBYQDHDPMSC-UHFFFAOYSA-N 0 0 246.310 2.590 20 10 BFCDRN CCc1nccn1Cc1ccc(N(C)CC)cc1 ZINC000158309099 641629982 /nfs/dbraw/zinc/62/99/82/641629982.db2.gz KHNHUPDZQMWARV-UHFFFAOYSA-N 0 0 243.354 2.950 20 10 BFCDRN CC[C@@H](C)[C@H](Sc1nccs1)C(=O)OC ZINC000916759100 641975218 /nfs/dbraw/zinc/97/52/18/641975218.db2.gz DIWUDAQAZBSVRJ-SFYZADRCSA-N 0 0 245.369 2.823 20 10 BFCDRN COc1ccc(N(C)C/C=C/Cl)cc1OC ZINC000064517724 642670137 /nfs/dbraw/zinc/67/01/37/642670137.db2.gz BNJAVFIVFQFSHB-QPJJXVBHSA-N 0 0 241.718 2.893 20 10 BFCDRN c1csc(SCCc2ccncc2)n1 ZINC000064661466 642689160 /nfs/dbraw/zinc/68/91/60/642689160.db2.gz YJZCFMOMYOPRLC-UHFFFAOYSA-N 0 0 222.338 2.873 20 10 BFCDRN Nc1ccc(NC(=O)CCc2cccs2)cc1 ZINC000238139461 642788034 /nfs/dbraw/zinc/78/80/34/642788034.db2.gz INMLICHLYBUOOA-UHFFFAOYSA-N 0 0 246.335 2.902 20 10 BFCDRN CSCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000068994007 642819309 /nfs/dbraw/zinc/81/93/09/642819309.db2.gz VNCNSDWBXBNDSF-SNVBAGLBSA-N 0 0 225.357 2.714 20 10 BFCDRN C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000071209854 643109649 /nfs/dbraw/zinc/10/96/49/643109649.db2.gz CZFDHMBQGWRWDJ-CABZTGNLSA-N 0 0 233.315 2.579 20 10 BFCDRN COc1ncccc1NCc1cc(C)ccc1O ZINC000071407655 643143079 /nfs/dbraw/zinc/14/30/79/643143079.db2.gz XNGHFBDZRSJMGO-UHFFFAOYSA-N 0 0 244.294 2.716 20 10 BFCDRN COCCSc1ncc(Cl)s1 ZINC000307726073 643611691 /nfs/dbraw/zinc/61/16/91/643611691.db2.gz CNTSBTZNFUZZGF-UHFFFAOYSA-N 0 0 209.723 2.535 20 10 BFCDRN CC[C@H](Nc1cnn(C)c1C)c1ccccc1O ZINC000186350314 643683353 /nfs/dbraw/zinc/68/33/53/643683353.db2.gz LPIRKGGTCDJDFJ-LBPRGKRZSA-N 0 0 245.326 2.997 20 10 BFCDRN Cc1c(N[C@@H](C)c2cc(C)ccc2O)cnn1C ZINC000186368741 643687423 /nfs/dbraw/zinc/68/74/23/643687423.db2.gz JEYZROGDKOEOHJ-JTQLQIEISA-N 0 0 245.326 2.916 20 10 BFCDRN CC(F)(F)CNCc1ccc2c(c1)CCCO2 ZINC000922149603 643873385 /nfs/dbraw/zinc/87/33/85/643873385.db2.gz OTZJOOGBCMBXEN-UHFFFAOYSA-N 0 0 241.281 2.756 20 10 BFCDRN Cc1ncn(Cc2ccc(N(C)C)cc2)c1C ZINC000193347079 644236306 /nfs/dbraw/zinc/23/63/06/644236306.db2.gz NVCYIWPMJISVBW-UHFFFAOYSA-N 0 0 229.327 2.614 20 10 BFCDRN Oc1ccccc1CN1CCOc2ccccc21 ZINC000084830986 644432785 /nfs/dbraw/zinc/43/27/85/644432785.db2.gz RVJDIROYAQQVJV-UHFFFAOYSA-N 0 0 241.290 2.791 20 10 BFCDRN Cc1ncccc1NCc1ccccc1O ZINC000085712392 644451858 /nfs/dbraw/zinc/45/18/58/644451858.db2.gz KDOGHYPEEILYQP-UHFFFAOYSA-N 0 0 214.268 2.708 20 10 BFCDRN C[C@H]1CC[C@H](C)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000088708154 644528275 /nfs/dbraw/zinc/52/82/75/644528275.db2.gz ILBVGVYXKWQXMH-QWRGUYRKSA-N 0 0 247.342 2.921 20 10 BFCDRN C[C@H]1C[C@@H]1CN(C)c1ccc2c(c1)OCO2 ZINC000754142565 644609678 /nfs/dbraw/zinc/60/96/78/644609678.db2.gz HNEVAMKNWSFFOB-VHSXEESVSA-N 0 0 219.284 2.508 20 10 BFCDRN CC(C)[C@H]1C[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827969768 645089107 /nfs/dbraw/zinc/08/91/07/645089107.db2.gz RMENEPJWLZPFHM-UHTWSYAYSA-N 0 0 247.338 2.862 20 10 BFCDRN CC(C)[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827969766 645089793 /nfs/dbraw/zinc/08/97/93/645089793.db2.gz RMENEPJWLZPFHM-DRZSPHRISA-N 0 0 247.338 2.862 20 10 BFCDRN C[C@H](NC(=O)CC(C)(F)F)c1ccccc1O ZINC000827969127 645089885 /nfs/dbraw/zinc/08/98/85/645089885.db2.gz HXUAFIJZNHTTKW-QMMMGPOBSA-N 0 0 243.253 2.615 20 10 BFCDRN CN(C)c1ccc(OCCc2cscn2)cc1 ZINC000842043182 645238264 /nfs/dbraw/zinc/23/82/64/645238264.db2.gz HARFEFMHYQZCKB-UHFFFAOYSA-N 0 0 248.351 2.831 20 10 BFCDRN CN(C)c1ccc(OCCOCC2CCC2)cc1 ZINC000842042946 645239385 /nfs/dbraw/zinc/23/93/85/645239385.db2.gz CFYRQABUYIHXCA-UHFFFAOYSA-N 0 0 249.354 2.948 20 10 BFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC(C)C ZINC000115281186 645608793 /nfs/dbraw/zinc/60/87/93/645608793.db2.gz DOPGUHTZIOQXMS-UHFFFAOYSA-N 0 0 248.370 2.723 20 10 BFCDRN Nc1ccc(NC(=O)NCCC2CC=CC2)cc1 ZINC000926142732 646583859 /nfs/dbraw/zinc/58/38/59/646583859.db2.gz LNHGLTLEOYQMPT-UHFFFAOYSA-N 0 0 245.326 2.747 20 10 BFCDRN COC[C@@H](CN(C)c1ccc(N)cc1)C(C)C ZINC000721922157 711937325 /nfs/dbraw/zinc/93/73/25/711937325.db2.gz UXJBZSOSYWFCKN-GFCCVEGCSA-N 0 0 236.359 2.624 20 10 BFCDRN CCC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703310871 712071967 /nfs/dbraw/zinc/07/19/67/712071967.db2.gz YXZLOLATFMTGSH-QMMMGPOBSA-N 0 0 229.270 2.949 20 10 BFCDRN C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703364454 712073694 /nfs/dbraw/zinc/07/36/94/712073694.db2.gz LMFUADLARFHIEO-KWQFWETISA-N 0 0 241.281 2.949 20 10 BFCDRN CC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000708440470 712194531 /nfs/dbraw/zinc/19/45/31/712194531.db2.gz BUPNGVASMIBECD-UHFFFAOYSA-N 0 0 241.281 2.950 20 10 BFCDRN CC[C@H](NCc1ccccc1O)C(F)(F)F ZINC000381727315 710688565 /nfs/dbraw/zinc/68/85/65/710688565.db2.gz MVKVHFUOZGJTRF-JTQLQIEISA-N 0 0 233.233 2.823 20 10 BFCDRN CCc1ncc(COc2ccc(N(C)C)cc2)o1 ZINC000902733126 710886866 /nfs/dbraw/zinc/88/68/66/710886866.db2.gz FEBUVHRPLDAHMW-UHFFFAOYSA-N 0 0 246.310 2.882 20 10 BFCDRN C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@H]1C ZINC000380676727 712902436 /nfs/dbraw/zinc/90/24/36/712902436.db2.gz OLGZUJBOXOSNEJ-UWVGGRQHSA-N 0 0 233.315 2.531 20 10 BFCDRN CC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000388804976 711067609 /nfs/dbraw/zinc/06/76/09/711067609.db2.gz OFGADJXAIGOJCC-GWCFXTLKSA-N 0 0 247.342 2.969 20 10 BFCDRN Cc1ccc(O)c(CN[C@H](C)C(F)(F)F)c1 ZINC000390462130 711118950 /nfs/dbraw/zinc/11/89/50/711118950.db2.gz GFTKHMOTLCJWGT-MRVPVSSYSA-N 0 0 233.233 2.741 20 10 BFCDRN C[C@H](NCc1cocn1)c1ccc(N(C)C)cc1 ZINC000397946031 711397437 /nfs/dbraw/zinc/39/74/37/711397437.db2.gz WYAJNHOUUVRAEO-NSHDSACASA-N 0 0 245.326 2.591 20 10 BFCDRN Cc1ccc([C@H](C)NCc2cocn2)c(O)c1 ZINC000397981477 711397555 /nfs/dbraw/zinc/39/75/55/711397555.db2.gz RTSOOHBLQQKSSR-JTQLQIEISA-N 0 0 232.283 2.539 20 10 BFCDRN Cc1ccc(O)c([C@H](C)NCc2cocn2)c1 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ZINC000707019691 712164118 /nfs/dbraw/zinc/16/41/18/712164118.db2.gz BQBHXXMUFYPWEC-GFCCVEGCSA-N 0 0 230.311 2.788 20 10 BFCDRN CN(C[C@@H]1CC(C)(C)CO1)c1ccc(N)cc1 ZINC000708333650 712188019 /nfs/dbraw/zinc/18/80/19/712188019.db2.gz VQDUOEMZVCAUED-ZDUSSCGKSA-N 0 0 234.343 2.520 20 10 BFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1CCCC1 ZINC000708389437 712191804 /nfs/dbraw/zinc/19/18/04/712191804.db2.gz KULIGZWTVZKGLE-UHFFFAOYSA-N 0 0 227.254 2.703 20 10 BFCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1(C)CC1 ZINC000708392250 712192075 /nfs/dbraw/zinc/19/20/75/712192075.db2.gz ZOURMVOJFWMELF-QMMMGPOBSA-N 0 0 241.281 2.949 20 10 BFCDRN CS[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708438618 712194826 /nfs/dbraw/zinc/19/48/26/712194826.db2.gz XMXPVYVLMVHJFX-ZETCQYMHSA-N 0 0 247.310 2.512 20 10 BFCDRN CC1(C)CC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708440644 712194979 /nfs/dbraw/zinc/19/49/79/712194979.db2.gz DFHRUWDOXHFBEH-NSHDSACASA-N 0 0 241.281 2.949 20 10 BFCDRN C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] 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ZINC000714433675 712486499 /nfs/dbraw/zinc/48/64/99/712486499.db2.gz LYHOYWIOINQOMT-YPMHNXCESA-N 0 0 247.338 2.835 20 10 BFCDRN C[C@H]1CCCC[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000714498096 712492500 /nfs/dbraw/zinc/49/25/00/712492500.db2.gz MUKDABYVABSHPI-SMDDNHRTSA-N 0 0 246.354 2.711 20 10 BFCDRN [O-]c1c(F)c(F)ccc1C[NH2+]CC1CC=CC1 ZINC000717374870 712652604 /nfs/dbraw/zinc/65/26/04/712652604.db2.gz LOOTXYQXSSDKQB-UHFFFAOYSA-N 0 0 239.265 2.726 20 10 BFCDRN Cc1ncc(Nc2cccc(O)c2O)s1 ZINC001212137948 964984767 /nfs/dbraw/zinc/98/47/67/964984767.db2.gz NHNNPENERRKZNJ-UHFFFAOYSA-N 0 0 222.269 2.606 20 10 BFCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001206342001 968242081 /nfs/dbraw/zinc/24/20/81/968242081.db2.gz FMTBCBXHVYWXED-PEGIJTEDSA-N 0 0 237.730 2.934 20 10 BFCDRN COc1ccc(C[N@H+](C)C2CC2)c([O-])c1Cl ZINC001236801168 979740990 /nfs/dbraw/zinc/74/09/90/979740990.db2.gz GQFVWTXTYFOHOO-UHFFFAOYSA-N 0 0 241.718 2.648 20 10 BFCDRN Oc1ccc(F)c(Cl)c1CN1CC[C@@H](F)C1 ZINC001237121828 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/nfs/dbraw/zinc/85/80/77/990858077.db2.gz PYMWREFVWHOHJD-JTQLQIEISA-N 0 0 241.281 2.855 20 10 BFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@@H](F)C1 ZINC001138122568 990885024 /nfs/dbraw/zinc/88/50/24/990885024.db2.gz NKXKWPHVEQRFDI-LLVKDONJSA-N 0 0 241.281 2.855 20 10 BFCDRN CC[C@@H](C)[N@H+](C)Cc1c(F)ccc(F)c1[O-] ZINC001139681769 991309907 /nfs/dbraw/zinc/30/99/07/991309907.db2.gz WWGINVYXDHDVDY-MRVPVSSYSA-N 0 0 229.270 2.901 20 10 BFCDRN CC1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139683958 991313159 /nfs/dbraw/zinc/31/31/59/991313159.db2.gz FZOIGZPOITUPMQ-UHFFFAOYSA-N 0 0 241.281 2.902 20 10 BFCDRN Oc1cc(Cl)ccc1CN1CC[C@H](F)C1 ZINC001140462936 991644527 /nfs/dbraw/zinc/64/45/27/991644527.db2.gz OPMOKCVZOMXZNT-JTQLQIEISA-N 0 0 229.682 2.589 20 10 BFCDRN Oc1cc(Cl)ccc1CN1C[C@@H](F)[C@H](F)C1 ZINC001140462889 991644658 /nfs/dbraw/zinc/64/46/58/991644658.db2.gz NJWSJRUVLVBKQN-NXEZZACHSA-N 0 0 247.672 2.537 20 10 BFCDRN CCCCC1(NC(=O)Cc2ccc(N)cc2)CC1 ZINC001263246466 993184957 /nfs/dbraw/zinc/18/49/57/993184957.db2.gz RPFJIAKCIIZPOS-UHFFFAOYSA-N 0 0 246.354 2.650 20 10 BFCDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)co1 ZINC001302532936 995123403 /nfs/dbraw/zinc/12/34/03/995123403.db2.gz VNRLITWACGUBBA-SNVBAGLBSA-N 0 0 245.278 2.785 20 10 BFCDRN CCON(CC)Cc1ccc(N(C)C)c(C)c1 ZINC001308012175 995523865 /nfs/dbraw/zinc/52/38/65/995523865.db2.gz NOQHNODDALCYNY-UHFFFAOYSA-N 0 0 236.359 2.834 20 10 BFCDRN Cc1cc(Cl)cc(CNCC(F)F)c1O ZINC000298136782 178064322 /nfs/dbraw/zinc/06/43/22/178064322.db2.gz QLVPGXVBTGRRMN-UHFFFAOYSA-N 0 0 235.661 2.709 20 10 BFCDRN Cc1cc(NCc2ccc(N(C)C)c(F)c2)no1 ZINC000271990720 178171601 /nfs/dbraw/zinc/17/16/01/178171601.db2.gz QGODTMMCTIBQMR-UHFFFAOYSA-N 0 0 249.289 2.800 20 10 BFCDRN Cc1cc(NCc2cc(C)c(C)cc2O)no1 ZINC000181468235 178172132 /nfs/dbraw/zinc/17/21/32/178172132.db2.gz IBNJWBLJMIYXPU-UHFFFAOYSA-N 0 0 232.283 2.918 20 10 BFCDRN CCC1(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000267292655 168428111 /nfs/dbraw/zinc/42/81/11/168428111.db2.gz CJSSWNXXRFZELD-UHFFFAOYSA-N 0 0 233.311 2.541 20 10 BFCDRN CC[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000037082701 343333063 /nfs/dbraw/zinc/33/30/63/343333063.db2.gz VPRMWRFSHXMZRJ-CQSZACIVSA-N 0 0 246.354 2.602 20 10 BFCDRN Nc1ccc(CCNC(=O)CC2CCCC2)cc1 ZINC000040675576 343408513 /nfs/dbraw/zinc/40/85/13/343408513.db2.gz MWINIFUANQDJIQ-UHFFFAOYSA-N 0 0 246.354 2.508 20 10 BFCDRN CC1(C(=O)Nc2ccc(N)cc2)CCCC1 ZINC000087315406 187286332 /nfs/dbraw/zinc/28/63/32/187286332.db2.gz HSWMCHGNIOKPRI-UHFFFAOYSA-N 0 0 218.300 2.788 20 10 BFCDRN CC(C)CCC(=O)N(C)Cc1ccccc1O ZINC000077895892 344830787 /nfs/dbraw/zinc/83/07/87/344830787.db2.gz HZDVUMOKGKPMCK-UHFFFAOYSA-N 0 0 235.327 2.787 20 10 BFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CC=CCC1 ZINC000077895914 344830950 /nfs/dbraw/zinc/83/09/50/344830950.db2.gz GNSUNEHOZJGWJO-GFCCVEGCSA-N 0 0 245.322 2.707 20 10 BFCDRN Cc1cccc(CN(C)Cc2nccs2)c1O ZINC000180370800 179069377 /nfs/dbraw/zinc/06/93/77/179069377.db2.gz KWKZIZQPRLHBAU-UHFFFAOYSA-N 0 0 248.351 2.789 20 10 BFCDRN Cc1conc1NCc1ccc(N(C)C)c(F)c1 ZINC000274514431 179760227 /nfs/dbraw/zinc/76/02/27/179760227.db2.gz HROYFUZAZOCQPB-UHFFFAOYSA-N 0 0 249.289 2.800 20 10 BFCDRN CCCCCCC(=O)NCc1ccccc1O ZINC000164072107 168645657 /nfs/dbraw/zinc/64/56/57/168645657.db2.gz MEMGUCVRKFSACC-UHFFFAOYSA-N 0 0 235.327 2.979 20 10 BFCDRN Clc1cnc(Sc2ncc[nH]2)s1 ZINC000306266274 359489295 /nfs/dbraw/zinc/48/92/95/359489295.db2.gz FUXQZWAWWOCMDM-UHFFFAOYSA-N 0 0 217.706 2.671 20 10 BFCDRN CCCc1noc(CSc2nccs2)n1 ZINC000064661840 368611696 /nfs/dbraw/zinc/61/16/96/368611696.db2.gz BBJYUGWFGLALMI-UHFFFAOYSA-N 0 0 241.341 2.771 20 10 BFCDRN c1csc(-c2ccc(N3CCOCC3)cc2)n1 ZINC000218068265 372056483 /nfs/dbraw/zinc/05/64/83/372056483.db2.gz JPGNTYHVCLHGGV-UHFFFAOYSA-N 0 0 246.335 2.647 20 10 BFCDRN O=C(CSc1nccs1)CC1CC1 ZINC000278651383 182010255 /nfs/dbraw/zinc/01/02/55/182010255.db2.gz DJIFMVHCLKOYQM-UHFFFAOYSA-N 0 0 213.327 2.604 20 10 BFCDRN [O-]c1c(F)cccc1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000367956305 183255616 /nfs/dbraw/zinc/25/56/16/183255616.db2.gz MLQYQVGCVUYWDZ-ZWNOBZJWSA-N 0 0 235.302 2.906 20 10 BFCDRN CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191179482 169276412 /nfs/dbraw/zinc/27/64/12/169276412.db2.gz UBVNXBBAGIGFGS-ZETCQYMHSA-N 0 0 215.243 2.731 20 10 BFCDRN CCCOC(=O)[C@@H](C)Sc1nccs1 ZINC000153815672 169299856 /nfs/dbraw/zinc/29/98/56/169299856.db2.gz PFVJXIQCXLEKCY-SSDOTTSWSA-N 0 0 231.342 2.577 20 10 BFCDRN CCC[C@@H](C(=O)NCc1ccc(N)cc1)C(C)C ZINC000297266628 169345354 /nfs/dbraw/zinc/34/53/54/169345354.db2.gz SEZIKGKPZILPNI-CQSZACIVSA-N 0 0 248.370 2.957 20 10 BFCDRN CCC[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)OC ZINC000293701270 169385579 /nfs/dbraw/zinc/38/55/79/169385579.db2.gz OWWTVCWGGFNKIG-STQMWFEESA-N 0 0 249.354 2.784 20 10 BFCDRN c1csc(SCCOC2CCC2)n1 ZINC000286406896 183522009 /nfs/dbraw/zinc/52/20/09/183522009.db2.gz CHUBQHQZVMUVDN-UHFFFAOYSA-N 0 0 215.343 2.804 20 10 BFCDRN CC(C)CC[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000036797521 383911214 /nfs/dbraw/zinc/91/12/14/383911214.db2.gz ZTVHEWIOWLBEJW-GFCCVEGCSA-N 0 0 248.370 2.752 20 10 BFCDRN CC[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000159460520 384334936 /nfs/dbraw/zinc/33/49/36/384334936.db2.gz LSFCSRRIUJUZNX-JTQLQIEISA-N 0 0 223.291 2.763 20 10 BFCDRN CC[C@@H](COC)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000079735197 384510727 /nfs/dbraw/zinc/51/07/27/384510727.db2.gz ANRLFBVCTAROEP-KOLCDFICSA-N 0 0 241.306 2.607 20 10 BFCDRN C[N@H+](CCC1CC1)Cc1ccccc1O ZINC000173358850 384677860 /nfs/dbraw/zinc/67/78/60/384677860.db2.gz YFOUIACXYPFIMA-UHFFFAOYSA-N 0 0 205.301 2.624 20 10 BFCDRN COC[C@H](C)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162814646 384693759 /nfs/dbraw/zinc/69/37/59/384693759.db2.gz PVCYZYUSASWJJT-VIFPVBQESA-N 0 0 243.734 2.512 20 10 BFCDRN CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc(O)c1O ZINC000126521694 384806280 /nfs/dbraw/zinc/80/62/80/384806280.db2.gz QLYVWPDVADHTJA-ZJUUUORDSA-N 0 0 249.310 2.501 20 10 BFCDRN CN(C)c1ccc(CN(C)C(=O)C2CCC2)cc1 ZINC000060678559 385096022 /nfs/dbraw/zinc/09/60/22/385096022.db2.gz ZQTQKEBTLJSKIW-UHFFFAOYSA-N 0 0 246.354 2.511 20 10 BFCDRN C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)cc1[O-] ZINC000062745830 385186989 /nfs/dbraw/zinc/18/69/89/385186989.db2.gz GLOXMVKQWXZLIX-IUCAKERBSA-N 0 0 223.291 2.980 20 10 BFCDRN C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)cc1[O-] ZINC000062745831 385187391 /nfs/dbraw/zinc/18/73/91/385187391.db2.gz GLOXMVKQWXZLIX-DTWKUNHWSA-N 0 0 223.291 2.980 20 10 BFCDRN Cc1ccc(O)c(C[N@@H+]2CCS[C@H](C)C2)c1 ZINC000131404263 385330585 /nfs/dbraw/zinc/33/05/85/385330585.db2.gz HBHHCDIRTNVBLK-LLVKDONJSA-N 0 0 237.368 2.638 20 10 BFCDRN C[C@H](O)CSc1ncc(-c2ccccc2)n1C ZINC000193074981 385382422 /nfs/dbraw/zinc/38/24/22/385382422.db2.gz SVMDNOKKDPFZQH-JTQLQIEISA-N 0 0 248.351 2.560 20 10 BFCDRN CCSCCC[NH2+]Cc1cccc(F)c1[O-] ZINC000282447016 385764620 /nfs/dbraw/zinc/76/46/20/385764620.db2.gz JVKGKNLDWZMHHT-UHFFFAOYSA-N 0 0 243.347 2.764 20 10 BFCDRN C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(F)cc1[O-] ZINC000273565943 386014744 /nfs/dbraw/zinc/01/47/44/386014744.db2.gz JMCOTWLSXUJIRH-SNVBAGLBSA-N 0 0 248.301 2.721 20 10 BFCDRN C[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(F)cc1[O-] ZINC000273565941 386015145 /nfs/dbraw/zinc/01/51/45/386015145.db2.gz JMCOTWLSXUJIRH-JTQLQIEISA-N 0 0 248.301 2.721 20 10 BFCDRN CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1ccccc1O ZINC000274922460 386165298 /nfs/dbraw/zinc/16/52/98/386165298.db2.gz UPTBWIHBDCZGTJ-DOMZBBRYSA-N 0 0 247.338 2.691 20 10 BFCDRN CN(C)c1ccc(OCCCCF)cc1 ZINC000289384019 386292742 /nfs/dbraw/zinc/29/27/42/386292742.db2.gz LONQLTPFKONXOP-UHFFFAOYSA-N 0 0 211.280 2.881 20 10 BFCDRN CN(C)c1ccc(OCc2nccs2)cc1 ZINC000289374563 386293519 /nfs/dbraw/zinc/29/35/19/386293519.db2.gz KLMOPDPTZYMNKI-UHFFFAOYSA-N 0 0 234.324 2.788 20 10 BFCDRN CN(C)c1ccc(OCC[C@H]2CCCO2)cc1 ZINC000289479890 386313350 /nfs/dbraw/zinc/31/33/50/386313350.db2.gz XWRYJHNHMVPCOK-CYBMUJFWSA-N 0 0 235.327 2.701 20 10 BFCDRN CCN(CCCCOC)c1ccc(OC)cc1 ZINC000265381196 386334128 /nfs/dbraw/zinc/33/41/28/386334128.db2.gz CORKCDODVRVQKK-UHFFFAOYSA-N 0 0 237.343 2.948 20 10 BFCDRN Nc1ccc(CCNC(=O)CCC2CCC2)cc1 ZINC000238121272 386444153 /nfs/dbraw/zinc/44/41/53/386444153.db2.gz ZKTCFMMBNSYXPK-UHFFFAOYSA-N 0 0 246.354 2.508 20 10 BFCDRN Nc1ccc(NC(=O)CCC2CCC2)cc1 ZINC000238133848 386445917 /nfs/dbraw/zinc/44/59/17/386445917.db2.gz FWRYLGVLVOVWFM-UHFFFAOYSA-N 0 0 218.300 2.788 20 10 BFCDRN O=C(CCC1CCC1)NCc1ccccc1O ZINC000267429792 386542369 /nfs/dbraw/zinc/54/23/69/386542369.db2.gz YOFSBQFUJBJPRL-UHFFFAOYSA-N 0 0 233.311 2.589 20 10 BFCDRN C[C@@H]([NH2+]C1CCC1)c1ccc(F)cc1[O-] ZINC000062748456 386606072 /nfs/dbraw/zinc/60/60/72/386606072.db2.gz UAYCEBLIDFJZTQ-MRVPVSSYSA-N 0 0 209.264 2.734 20 10 BFCDRN CC[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])OC ZINC000290150447 386828381 /nfs/dbraw/zinc/82/83/81/386828381.db2.gz LFKDZSHEJVOJEG-MWLCHTKSSA-N 0 0 241.306 2.607 20 10 BFCDRN CC[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000157755144 387870897 /nfs/dbraw/zinc/87/08/97/387870897.db2.gz UHVWRJLZPPXRMK-MRVPVSSYSA-N 0 0 213.708 2.934 20 10 BFCDRN Cc1nc(COc2ccc(N(C)C)cc2)oc1C ZINC000277977994 398035469 /nfs/dbraw/zinc/03/54/69/398035469.db2.gz YFCFNVPPZJUYFV-UHFFFAOYSA-N 0 0 246.310 2.936 20 10 BFCDRN CCOC(=O)CCCCSc1nccs1 ZINC000265737233 170199548 /nfs/dbraw/zinc/19/95/48/170199548.db2.gz ZLVVFZZDTXVMSK-UHFFFAOYSA-N 0 0 245.369 2.969 20 10 BFCDRN CC[C@H](C)[C@@H](C)C(=O)NCc1ccc(N)cc1 ZINC000297143166 171359954 /nfs/dbraw/zinc/35/99/54/171359954.db2.gz IHUBNNANPHNABI-WDEREUQCSA-N 0 0 234.343 2.567 20 10 BFCDRN CCc1nn(C)cc1NCc1cccc(C)c1O ZINC000224942943 172042589 /nfs/dbraw/zinc/04/25/89/172042589.db2.gz SDNVMFQGNYDRQR-UHFFFAOYSA-N 0 0 245.326 2.609 20 10 BFCDRN CCn1cc(NCc2cccc(C)c2O)cn1 ZINC000124864096 172185653 /nfs/dbraw/zinc/18/56/53/172185653.db2.gz HIQYXXYQUBJMSR-UHFFFAOYSA-N 0 0 231.299 2.529 20 10 BFCDRN CCn1cc(N[C@@H](C)c2ccccc2O)cn1 ZINC000035780743 172187177 /nfs/dbraw/zinc/18/71/77/172187177.db2.gz KGAIPNZSQCOLDW-JTQLQIEISA-N 0 0 231.299 2.782 20 10 BFCDRN CN(C)c1ccc(CNC(=O)CC2CCC2)cc1 ZINC000079318974 172552071 /nfs/dbraw/zinc/55/20/71/172552071.db2.gz RFRIWHLGZGBQMW-UHFFFAOYSA-N 0 0 246.354 2.559 20 10 BFCDRN CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000048693635 173315058 /nfs/dbraw/zinc/31/50/58/173315058.db2.gz ZXOVSMJJXMBXAU-UHFFFAOYSA-N 0 0 234.324 2.515 20 10 BFCDRN COCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000083941613 174385769 /nfs/dbraw/zinc/38/57/69/174385769.db2.gz IHJPHASCZXEYNS-VXGBXAGGSA-N 0 0 237.343 2.776 20 10 BFCDRN CO[C@H](C)CN(C)c1ccc(OC(C)C)cc1 ZINC000277406248 174825534 /nfs/dbraw/zinc/82/55/34/174825534.db2.gz ZTECPPUZJVAWPA-GFCCVEGCSA-N 0 0 237.343 2.945 20 10 BFCDRN COc1ccc2c(c1)CCN2Cc1cccn1C ZINC000127701000 175209161 /nfs/dbraw/zinc/20/91/61/175209161.db2.gz WVLQMTRJEIEMKN-UHFFFAOYSA-N 0 0 242.322 2.596 20 10 BFCDRN COc1ccc2c(c1)CCN2Cc1cncs1 ZINC000127700258 175209254 /nfs/dbraw/zinc/20/92/54/175209254.db2.gz DKBLDNWIYRPDKK-UHFFFAOYSA-N 0 0 246.335 2.714 20 10 BFCDRN COc1cccc(NCc2ccc(O)c(O)c2)c1 ZINC000019964011 175278896 /nfs/dbraw/zinc/27/88/96/175278896.db2.gz KHJXHJFVHABRRK-UHFFFAOYSA-N 0 0 245.278 2.719 20 10 BFCDRN C[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000165409520 177077206 /nfs/dbraw/zinc/07/72/06/177077206.db2.gz QMAQVKACOZPRGK-JTQLQIEISA-N 0 0 223.291 2.906 20 10 BFCDRN C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000035407890 177087704 /nfs/dbraw/zinc/08/77/04/177087704.db2.gz SXNLBWJANLQUEE-GXFFZTMASA-N 0 0 247.342 2.969 20 10 BFCDRN C[C@@]1(NC(=O)C2=CC(=O)CS2)CC=CCC1 ZINC000854918237 588816808 /nfs/dbraw/zinc/81/68/08/588816808.db2.gz PAYFAMRYIAQNBW-GFCCVEGCSA-N 0 0 237.324 2.682 20 10 BFCDRN C[C@]1(NC(=O)C2=CC(=O)CS2)CC=CCC1 ZINC000854918238 588816877 /nfs/dbraw/zinc/81/68/77/588816877.db2.gz PAYFAMRYIAQNBW-LBPRGKRZSA-N 0 0 237.324 2.682 20 10 BFCDRN Nc1ccc(Cc2noc([C@@H]3CC34CC4)n2)cc1 ZINC000843159759 582601441 /nfs/dbraw/zinc/60/14/41/582601441.db2.gz AQMGYOBVLBGUBK-NSHDSACASA-N 0 0 241.294 2.510 20 10 BFCDRN Cc1cnc(CN[C@H](C)c2ccccc2O)o1 ZINC000223661022 582805371 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/nfs/dbraw/zinc/08/68/74/641086874.db2.gz DOGMXABTKQUHBK-QWRGUYRKSA-N 0 0 247.342 2.827 20 10 BFCDRN C[C@H]([NH2+]Cc1cccnc1)c1ccc(F)cc1[O-] ZINC000062745090 641087739 /nfs/dbraw/zinc/08/77/39/641087739.db2.gz TUPYQJCPBOEGLR-JTQLQIEISA-N 0 0 246.285 2.777 20 10 BFCDRN Cc1ccc(F)cc1C(=O)Nc1ccc(N)cc1 ZINC000059974200 641172780 /nfs/dbraw/zinc/17/27/80/641172780.db2.gz HUEVXSHDKGXHOI-UHFFFAOYSA-N 0 0 244.269 2.969 20 10 BFCDRN CCCN(C)c1ccc(OC)c(OC)c1 ZINC000063617302 641199966 /nfs/dbraw/zinc/19/99/66/641199966.db2.gz LKKXWBNEEFULKT-UHFFFAOYSA-N 0 0 209.289 2.550 20 10 BFCDRN CC1(CCC(=O)NCc2ccccc2O)CC1 ZINC000934935641 641307021 /nfs/dbraw/zinc/30/70/21/641307021.db2.gz MCNWKGQYPKBTGA-UHFFFAOYSA-N 0 0 233.311 2.589 20 10 BFCDRN CC[C@H]([NH2+]Cc1cccc(F)c1[O-])C1CC1 ZINC000324024654 641360091 /nfs/dbraw/zinc/36/00/91/641360091.db2.gz QVPVENKUUZFPOA-LBPRGKRZSA-N 0 0 223.291 2.810 20 10 BFCDRN CC(=O)NCCCCCSc1nccs1 ZINC000916759217 641975352 /nfs/dbraw/zinc/97/53/52/641975352.db2.gz GNQBPEKZYQFMCF-UHFFFAOYSA-N 0 0 244.385 2.542 20 10 BFCDRN CC(C)C[C@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000035408205 642162991 /nfs/dbraw/zinc/16/29/91/642162991.db2.gz XNILERAFJUHKKQ-JTQLQIEISA-N 0 0 235.331 2.825 20 10 BFCDRN O=[N+]([O-])c1ncccc1Sc1nccs1 ZINC000919722771 642380380 /nfs/dbraw/zinc/38/03/80/642380380.db2.gz NBQUGCWZWPHHER-UHFFFAOYSA-N 0 0 239.281 2.598 20 10 BFCDRN CCCN(CC)c1ccc(OC)c(OC)c1 ZINC000921062014 642575066 /nfs/dbraw/zinc/57/50/66/642575066.db2.gz RJLPOALZVKSPFI-UHFFFAOYSA-N 0 0 223.316 2.940 20 10 BFCDRN CC[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115281061 642978313 /nfs/dbraw/zinc/97/83/13/642978313.db2.gz PNKLBYQPLOITKA-NSHDSACASA-N 0 0 248.370 2.723 20 10 BFCDRN C[C@@H](NC(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000070308414 643017492 /nfs/dbraw/zinc/01/74/92/643017492.db2.gz WPRFDWOVJKGMJT-SNVBAGLBSA-N 0 0 247.342 2.969 20 10 BFCDRN C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000071209856 643108225 /nfs/dbraw/zinc/10/82/25/643108225.db2.gz CZFDHMBQGWRWDJ-JOYOIKCWSA-N 0 0 233.315 2.579 20 10 BFCDRN C[C@@H](Sc1ncc(Cl)s1)[C@H](C)O ZINC000307287722 643433653 /nfs/dbraw/zinc/43/36/53/643433653.db2.gz VRFGJXBEXDDIJU-CRCLSJGQSA-N 0 0 223.750 2.658 20 10 BFCDRN Oc1ccc(F)cc1CNc1ccccn1 ZINC000083349258 643437716 /nfs/dbraw/zinc/43/77/16/643437716.db2.gz HFQITWQKOBMMIW-UHFFFAOYSA-N 0 0 218.231 2.538 20 10 BFCDRN COc1ccc(CNc2ccc(F)cn2)c(O)c1 ZINC000083378206 643443675 /nfs/dbraw/zinc/44/36/75/643443675.db2.gz YLQNWKTWFDLNGE-UHFFFAOYSA-N 0 0 248.257 2.547 20 10 BFCDRN Cc1c(N[C@@H](C)c2cc(F)ccc2O)cnn1C ZINC000186369348 643686742 /nfs/dbraw/zinc/68/67/42/643686742.db2.gz QCYHVMAGSINKTA-QMMMGPOBSA-N 0 0 249.289 2.746 20 10 BFCDRN C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000088708155 644528947 /nfs/dbraw/zinc/52/89/47/644528947.db2.gz ILBVGVYXKWQXMH-GHMZBOCLSA-N 0 0 247.342 2.921 20 10 BFCDRN CC1(C)CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000094804631 644728874 /nfs/dbraw/zinc/72/88/74/644728874.db2.gz NPGSNBFLWYHIFO-UHFFFAOYSA-N 0 0 233.315 2.533 20 10 BFCDRN COC1(COc2ccc(N(C)C)cc2)CCC1 ZINC000842043535 645238113 /nfs/dbraw/zinc/23/81/13/645238113.db2.gz LXFFYXDYKQJQMW-UHFFFAOYSA-N 0 0 235.327 2.701 20 10 BFCDRN CC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703481152 712076401 /nfs/dbraw/zinc/07/64/01/712076401.db2.gz FJENANOIWPOBFX-UHFFFAOYSA-N 0 0 241.281 2.902 20 10 BFCDRN CC[NH+](CC)Cc1cc(F)cc(F)c1[O-] ZINC000708399958 712192325 /nfs/dbraw/zinc/19/23/25/712192325.db2.gz MMHYMFHCIPPYHZ-UHFFFAOYSA-N 0 0 215.243 2.512 20 10 BFCDRN CC[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708400774 712193019 /nfs/dbraw/zinc/19/30/19/712193019.db2.gz PHWHUNQLRIGOAU-SECBINFHSA-N 0 0 241.281 2.902 20 10 BFCDRN C[C@H](NCC(C)(F)F)c1ccc(F)cc1O ZINC000378859717 712363200 /nfs/dbraw/zinc/36/32/00/712363200.db2.gz NSZKQPKBTDLCFN-ZETCQYMHSA-N 0 0 233.233 2.837 20 10 BFCDRN Cc1cc(O)c(CNCC(C)(F)F)cc1C ZINC000382145035 710799013 /nfs/dbraw/zinc/79/90/13/710799013.db2.gz NPJNFHBVKODUSD-UHFFFAOYSA-N 0 0 229.270 2.754 20 10 BFCDRN Nc1ccc(NC(=O)N[C@H]2CC23CCCC3)cc1 ZINC000387145850 711040522 /nfs/dbraw/zinc/04/05/22/711040522.db2.gz OLDUUVZBRNRQDE-LBPRGKRZSA-N 0 0 245.326 2.723 20 10 BFCDRN C[C@H](NCc1cc(Cl)ccc1O)C(F)F ZINC000389942058 711099729 /nfs/dbraw/zinc/09/97/29/711099729.db2.gz NNEFIJLZXBBFIK-LURJTMIESA-N 0 0 235.661 2.789 20 10 BFCDRN C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(F)cc1[O-] ZINC000397731582 711390208 /nfs/dbraw/zinc/39/02/08/711390208.db2.gz DKHNSIGKSAHHQF-GUDRVLHUSA-N 0 0 235.302 2.980 20 10 BFCDRN CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000164636017 711682449 /nfs/dbraw/zinc/68/24/49/711682449.db2.gz QMIVGPYKHKABKZ-IUCAKERBSA-N 0 0 243.347 2.933 20 10 BFCDRN COc1ccc(NCc2cccc(C)c2O)cn1 ZINC000161123108 711810645 /nfs/dbraw/zinc/81/06/45/711810645.db2.gz FNTJJLWDRYUTEP-UHFFFAOYSA-N 0 0 244.294 2.716 20 10 BFCDRN C[C@@H]1CCCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000703227338 712068766 /nfs/dbraw/zinc/06/87/66/712068766.db2.gz DXLSEODAJVJWQQ-LLVKDONJSA-N 0 0 247.342 2.923 20 10 BFCDRN CC1CC([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703285743 712069401 /nfs/dbraw/zinc/06/94/01/712069401.db2.gz JWDNJXHEYDFILS-UHFFFAOYSA-N 0 0 227.254 2.559 20 10 BFCDRN [O-]c1c(C[NH2+][C@H]2CC=CCC2)ccc(F)c1F ZINC000703327721 712070568 /nfs/dbraw/zinc/07/05/68/712070568.db2.gz JFIVZPRRZHOVGO-JTQLQIEISA-N 0 0 239.265 2.869 20 10 BFCDRN CC1(C)C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703296944 712071246 /nfs/dbraw/zinc/07/12/46/712071246.db2.gz XOSUCCCVKKCLOJ-VIFPVBQESA-N 0 0 227.254 2.559 20 10 BFCDRN CC1(C)C[C@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703348620 712072873 /nfs/dbraw/zinc/07/28/73/712072873.db2.gz PNCBBQUFUSLYCJ-VIFPVBQESA-N 0 0 241.281 2.806 20 10 BFCDRN CC(C)C1([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703364897 712074077 /nfs/dbraw/zinc/07/40/77/712074077.db2.gz MZJTTZNKVRHYDM-UHFFFAOYSA-N 0 0 241.281 2.949 20 10 BFCDRN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703444905 712075861 /nfs/dbraw/zinc/07/58/61/712075861.db2.gz AGFVLEXIWGNVOG-DTWKUNHWSA-N 0 0 241.281 2.901 20 10 BFCDRN C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703447871 712076079 /nfs/dbraw/zinc/07/60/79/712076079.db2.gz MOBWFWVUUGTRCG-MRVPVSSYSA-N 0 0 227.254 2.655 20 10 BFCDRN C[C@@H](F)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000705670757 712135327 /nfs/dbraw/zinc/13/53/27/712135327.db2.gz WIJZAZHIQGQOGQ-MRVPVSSYSA-N 0 0 231.698 2.883 20 10 BFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1=CCCC1 ZINC000708387278 712192086 /nfs/dbraw/zinc/19/20/86/712192086.db2.gz BFNYVAPANGFWFV-UHFFFAOYSA-N 0 0 239.265 2.870 20 10 BFCDRN CCC(CC)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708394381 712192779 /nfs/dbraw/zinc/19/27/79/712192779.db2.gz YBNUFPPUIWLGMC-UHFFFAOYSA-N 0 0 229.270 2.949 20 10 BFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCCF ZINC000708436336 712194615 /nfs/dbraw/zinc/19/46/15/712194615.db2.gz LMXCGNZUYNNJSR-UHFFFAOYSA-N 0 0 233.233 2.510 20 10 BFCDRN CS[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708438616 712194716 /nfs/dbraw/zinc/19/47/16/712194716.db2.gz XMXPVYVLMVHJFX-SSDOTTSWSA-N 0 0 247.310 2.512 20 10 BFCDRN CSC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708436513 712194841 /nfs/dbraw/zinc/19/48/41/712194841.db2.gz NGLSWXLQDYXDJZ-SSDOTTSWSA-N 0 0 247.310 2.512 20 10 BFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCC1CC1 ZINC000708440449 712194893 /nfs/dbraw/zinc/19/48/93/712194893.db2.gz BFZACNNCYAMHTB-UHFFFAOYSA-N 0 0 241.281 2.950 20 10 BFCDRN C[C@H]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708440912 712195212 /nfs/dbraw/zinc/19/52/12/712195212.db2.gz FPWLWBOEDTWZMO-KWQFWETISA-N 0 0 241.281 2.949 20 10 BFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1(C2CC2)CC1 ZINC000708518008 712211939 /nfs/dbraw/zinc/21/19/39/712211939.db2.gz XTMZOMNOOLETCI-UHFFFAOYSA-N 0 0 239.265 2.703 20 10 BFCDRN O=C(C=C1CCCC1)NCc1ccccc1O ZINC000762806998 712411462 /nfs/dbraw/zinc/41/14/62/712411462.db2.gz HRBVPBOPFNEVCX-UHFFFAOYSA-N 0 0 231.295 2.509 20 10 BFCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000716509361 712566486 /nfs/dbraw/zinc/56/64/86/712566486.db2.gz PDPBHFRKCRYFDZ-GJQVQUKXSA-N 0 0 244.338 2.524 20 10 BFCDRN C[C@@H]1CC[C@@H](OC(=O)C2=CC(=O)CS2)C1 ZINC000815208584 712588516 /nfs/dbraw/zinc/58/85/16/712588516.db2.gz UXEVEJXLXJUCAC-VXNVDRBHSA-N 0 0 226.297 2.799 20 10 BFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2C[C@H]2C(C)C)c1 ZINC000862757034 712619066 /nfs/dbraw/zinc/61/90/66/712619066.db2.gz DZHYAHSGIXWHOT-STQMWFEESA-N 0 0 247.338 2.609 20 10 BFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H](C)C2)c1 ZINC000862757315 712619073 /nfs/dbraw/zinc/61/90/73/712619073.db2.gz OQVFYJBSOKFQLY-ZYHUDNBSSA-N 0 0 247.338 2.753 20 10 BFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CC[C@H](C)C2)c1 ZINC000862757313 712619137 /nfs/dbraw/zinc/61/91/37/712619137.db2.gz OQVFYJBSOKFQLY-JQWIXIFHSA-N 0 0 247.338 2.753 20 10 BFCDRN CC(C)=C(C)C(=O)NCc1cc(C)ccc1O ZINC000862757686 712619257 /nfs/dbraw/zinc/61/92/57/712619257.db2.gz CBTGASVPYMYTOA-UHFFFAOYSA-N 0 0 233.311 2.673 20 10 BFCDRN CC[C@@H](Sc1nccs1)C(C)=O ZINC000720123952 712827342 /nfs/dbraw/zinc/82/73/42/712827342.db2.gz VAOAHFBFOZRAGK-SSDOTTSWSA-N 0 0 201.316 2.603 20 10 BFCDRN C[N@H+](Cc1cc(F)c(F)cc1[O-])C1CCC1 ZINC001180120010 978830424 /nfs/dbraw/zinc/83/04/24/978830424.db2.gz AKPTVUVLZPMTLC-UHFFFAOYSA-N 0 0 227.254 2.655 20 10 BFCDRN C[C@@H]1CCN1Cc1c(O)ccc(F)c1Cl ZINC001237122734 979821126 /nfs/dbraw/zinc/82/11/26/979821126.db2.gz XSSMFLUSJPNENH-SSDOTTSWSA-N 0 0 229.682 2.779 20 10 BFCDRN COc1cc(N(C)c2ccc(N)cc2)cnc1F ZINC001216423525 971085459 /nfs/dbraw/zinc/08/54/59/971085459.db2.gz HJGPFHXXDVIRTM-UHFFFAOYSA-N 0 0 247.273 2.579 20 10 BFCDRN Cn1ccc2ncc(-c3cc(F)ccc3N)cc21 ZINC001244397507 971240322 /nfs/dbraw/zinc/24/03/22/971240322.db2.gz LSHBKZZCEHEMHE-UHFFFAOYSA-N 0 0 241.269 2.962 20 10 BFCDRN CC[C@H](C)N(CC)C(=O)NCc1ccc(N)cc1 ZINC001346738005 957653056 /nfs/dbraw/zinc/65/30/56/957653056.db2.gz CTAVPSWIUKZNRS-NSHDSACASA-N 0 0 249.358 2.599 20 10 BFCDRN Oc1cc(Cl)ccc1CN1CCCCO1 ZINC001140461859 958491802 /nfs/dbraw/zinc/49/18/02/958491802.db2.gz VYUZEJLHMUICJC-UHFFFAOYSA-N 0 0 227.691 2.573 20 10 BFCDRN CCC(F)(F)CN(C)c1ccc(N)cc1 ZINC000692358880 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RIOSWTFNBHBLSV-LBPRGKRZSA-N 0 0 237.343 2.557 20 10 BFCDRN Nc1ccc(NC(=O)Cc2ccccc2F)cc1 ZINC000022220663 590389113 /nfs/dbraw/zinc/38/91/13/590389113.db2.gz GUIAJQVQMGOBFG-UHFFFAOYSA-N 0 0 244.269 2.589 20 10 BFCDRN CC1(C)C[NH+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000877717761 590399027 /nfs/dbraw/zinc/39/90/27/590399027.db2.gz PTJYAGRZPLWSKO-UHFFFAOYSA-N 0 0 227.254 2.512 20 10 BFCDRN CCN(C[C@H]1CCO[C@H]1C)c1ccc(OC)cc1 ZINC000878219345 590525809 /nfs/dbraw/zinc/52/58/09/590525809.db2.gz KDXLQYTYLQYUBC-QWHCGFSZSA-N 0 0 249.354 2.947 20 10 BFCDRN CCN(C[C@@H]1CCO[C@H]1C)c1ccc(OC)cc1 ZINC000878219346 590526151 /nfs/dbraw/zinc/52/61/51/590526151.db2.gz KDXLQYTYLQYUBC-STQMWFEESA-N 0 0 249.354 2.947 20 10 BFCDRN COc1ccc(N(C)C[C@H]2CCO[C@H]2C)cc1 ZINC000878801342 590624842 /nfs/dbraw/zinc/62/48/42/590624842.db2.gz JVRKSERFYAOWHH-NWDGAFQWSA-N 0 0 235.327 2.556 20 10 BFCDRN CCOc1ccc(N(C[C@H](C)O)CC2CC2)cc1 ZINC000879117338 590699503 /nfs/dbraw/zinc/69/95/03/590699503.db2.gz PGKPAZFERKBUEK-LBPRGKRZSA-N 0 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241.306 2.605 20 10 BFCDRN C[C@@H](NC1(C(F)F)CC1)c1c(O)cccc1F ZINC000886607135 592273612 /nfs/dbraw/zinc/27/36/12/592273612.db2.gz LMDBFPUVMTYJIU-SSDOTTSWSA-N 0 0 245.244 2.980 20 10 BFCDRN C[C@H]([NH2+]CCCCF)c1c([O-])cccc1F ZINC000886612603 592276470 /nfs/dbraw/zinc/27/64/70/592276470.db2.gz PPIRJADAKYCAPO-VIFPVBQESA-N 0 0 229.270 2.932 20 10 BFCDRN C[C@H]([NH2+][C@H]1C=CCC1)c1c([O-])cccc1F ZINC000886636807 592284698 /nfs/dbraw/zinc/28/46/98/592284698.db2.gz VMTOZQUSDZSDSJ-UWVGGRQHSA-N 0 0 221.275 2.901 20 10 BFCDRN C[C@H](N[C@@H](C)C(F)F)c1c(O)cccc1F ZINC000886651966 592290145 /nfs/dbraw/zinc/29/01/45/592290145.db2.gz WCKHBXBHJVUGRH-BQBZGAKWSA-N 0 0 233.233 2.836 20 10 BFCDRN CC1(C)CC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000310221680 635421945 /nfs/dbraw/zinc/42/19/45/635421945.db2.gz XFJBHOADCXODTM-NSHDSACASA-N 0 0 233.315 2.579 20 10 BFCDRN CCC1(C(=O)N(C)Cc2ccccc2O)CCC1 ZINC000176015080 631321212 /nfs/dbraw/zinc/32/12/12/631321212.db2.gz VMKJFLQVKGGCLY-UHFFFAOYSA-N 0 0 247.338 2.931 20 10 BFCDRN C[C@H]1CC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000309063276 631830445 /nfs/dbraw/zinc/83/04/45/631830445.db2.gz XMTQRSYWHOSUMP-KWQFWETISA-N 0 0 225.719 2.934 20 10 BFCDRN C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@H](C)C1 ZINC000051747310 631894490 /nfs/dbraw/zinc/89/44/90/631894490.db2.gz CNCLSJXABAFOSU-GHMZBOCLSA-N 0 0 247.342 2.921 20 10 BFCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccccn1 ZINC000161607657 632104222 /nfs/dbraw/zinc/10/42/22/632104222.db2.gz MRBAJCWFQAHQPE-UHFFFAOYSA-N 0 0 248.713 2.730 20 10 BFCDRN Cc1cc(N(C)C)ccc1CNc1ccon1 ZINC000840882041 632973631 /nfs/dbraw/zinc/97/36/31/632973631.db2.gz MWIRFPFVTXTKDD-UHFFFAOYSA-N 0 0 231.299 2.661 20 10 BFCDRN C[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc(F)c1[O-] ZINC000163165093 636080260 /nfs/dbraw/zinc/08/02/60/636080260.db2.gz OIZYMBBMDCWDNS-VHSXEESVSA-N 0 0 223.291 2.762 20 10 BFCDRN C[C@@H](NC1(C(F)F)CC1)c1ccccc1O ZINC000309453396 633920678 /nfs/dbraw/zinc/92/06/78/633920678.db2.gz NAJUXHQUPDDSDX-MRVPVSSYSA-N 0 0 227.254 2.841 20 10 BFCDRN [O-]c1c(Cl)cccc1C[NH2+]C1CC=CC1 ZINC000162703835 634297011 /nfs/dbraw/zinc/29/70/11/634297011.db2.gz LREZSIWADWPNRG-UHFFFAOYSA-N 0 0 223.703 2.854 20 10 BFCDRN CC1(C)CCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000094330401 635295292 /nfs/dbraw/zinc/29/52/92/635295292.db2.gz KNHLCVRKDLNDFD-LBPRGKRZSA-N 0 0 247.342 2.969 20 10 BFCDRN Cc1nc(CN[C@@H](C)c2ccccc2O)oc1C ZINC000223661685 635374295 /nfs/dbraw/zinc/37/42/95/635374295.db2.gz SNFGKDADGATHMP-JTQLQIEISA-N 0 0 246.310 2.848 20 10 BFCDRN Nc1ccc(NC(=O)N[C@@H]2C[C@@H]3CCC[C@H]23)cc1 ZINC000904499634 637431787 /nfs/dbraw/zinc/43/17/87/637431787.db2.gz HBXXLUCRJNFNGG-TVYUQYBPSA-N 0 0 245.326 2.579 20 10 BFCDRN CCCOC(=O)NCc1cccc(Cl)c1O ZINC000908327357 638665356 /nfs/dbraw/zinc/66/53/56/638665356.db2.gz ICGPIARFMBPVQY-UHFFFAOYSA-N 0 0 243.690 2.682 20 10 BFCDRN Nc1ccc(NC(=O)C2(C3CC3)CCC2)cc1 ZINC000911660678 639693463 /nfs/dbraw/zinc/69/34/63/639693463.db2.gz NGLZRFAKAFBONT-UHFFFAOYSA-N 0 0 230.311 2.788 20 10 BFCDRN C[C@H]1C[C@H](C)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000164529100 640489553 /nfs/dbraw/zinc/48/95/53/640489553.db2.gz FPQRKTFWPWNJLF-UWVGGRQHSA-N 0 0 233.315 2.531 20 10 BFCDRN CCCCSCC(=O)Nc1ccc(N)cc1 ZINC000036332966 640496081 /nfs/dbraw/zinc/49/60/81/640496081.db2.gz KPTNRNFIYXJECR-UHFFFAOYSA-N 0 0 238.356 2.741 20 10 BFCDRN CC(C)n1cc(NCc2cc(F)ccc2O)cn1 ZINC000226619470 640779957 /nfs/dbraw/zinc/77/99/57/640779957.db2.gz NQOBXRRVSXTQJV-UHFFFAOYSA-N 0 0 249.289 2.921 20 10 BFCDRN C[C@@H]([NH2+]Cc1ccoc1)c1ccc(F)cc1[O-] ZINC000168736708 640823119 /nfs/dbraw/zinc/82/31/19/640823119.db2.gz SCNHNCOOJAGOPO-SECBINFHSA-N 0 0 235.258 2.975 20 10 BFCDRN CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000060335533 640855774 /nfs/dbraw/zinc/85/57/74/640855774.db2.gz ZMJKLENGSWFMHQ-UHFFFAOYSA-N 0 0 242.322 2.762 20 10 BFCDRN CC/C=C(/C)C(=O)Nc1ccc(N)cc1 ZINC000063063515 641124166 /nfs/dbraw/zinc/12/41/66/641124166.db2.gz CSXSEHUIIRYRRG-WTKPLQERSA-N 0 0 204.273 2.564 20 10 BFCDRN Nc1ccc(NC(=O)[C@H]2CC=CCC2)cc1 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AJWBNFSPTJGIPW-UHFFFAOYSA-N 0 0 232.258 2.847 20 10 BFCDRN C[C@@H]1CC[C@H](C)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000088708153 644526528 /nfs/dbraw/zinc/52/65/28/644526528.db2.gz ILBVGVYXKWQXMH-MNOVXSKESA-N 0 0 247.342 2.921 20 10 BFCDRN CN(Cc1cc(Cl)ccc1O)CC(F)F ZINC000092508995 644660906 /nfs/dbraw/zinc/66/09/06/644660906.db2.gz SEIAYAQEUARFTA-UHFFFAOYSA-N 0 0 235.661 2.743 20 10 BFCDRN CC(C)[C@H]1C[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827969764 645089870 /nfs/dbraw/zinc/08/98/70/645089870.db2.gz RMENEPJWLZPFHM-CYZMBNFOSA-N 0 0 247.338 2.862 20 10 BFCDRN C[C@H](C(=O)N(C)c1ccc(N)cc1)C(C)(C)C ZINC000399153373 711744622 /nfs/dbraw/zinc/74/46/22/711744622.db2.gz YOSHAYHBAVXCBN-SNVBAGLBSA-N 0 0 234.343 2.914 20 10 BFCDRN CO[C@H](CN(C)c1ccc(N)cc1)C1CCC1 ZINC000700946224 712010263 /nfs/dbraw/zinc/01/02/63/712010263.db2.gz UVPZPUOXCCADNG-CQSZACIVSA-N 0 0 234.343 2.520 20 10 BFCDRN C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000708444668 712194873 /nfs/dbraw/zinc/19/48/73/712194873.db2.gz SYIQRSPAQMIGJL-MRVPVSSYSA-N 0 0 241.281 2.806 20 10 BFCDRN C[C@@H](N[C@@H](C)C(F)F)c1cc(F)ccc1O ZINC000389967805 712692704 /nfs/dbraw/zinc/69/27/04/712692704.db2.gz OZOXKCGZAXSJDU-RQJHMYQMSA-N 0 0 233.233 2.836 20 10 BFCDRN COC/C(C)=C/COc1ccc(N(C)C)cc1 ZINC000902733596 710886516 /nfs/dbraw/zinc/88/65/16/710886516.db2.gz KNCAFRDSVVYSDI-FMIVXFBMSA-N 0 0 235.327 2.724 20 10 BFCDRN COc1ccc(CN[C@@H](C)C(F)F)cc1C ZINC000389928583 711098843 /nfs/dbraw/zinc/09/88/43/711098843.db2.gz GKFCLGUPOXRQPI-VIFPVBQESA-N 0 0 229.270 2.747 20 10 BFCDRN CCC1(NC(=O)c2cccc(O)c2O)CCCC1 ZINC000394620894 711195702 /nfs/dbraw/zinc/19/57/02/711195702.db2.gz GDUWHLPJOXCDFX-UHFFFAOYSA-N 0 0 249.310 2.550 20 10 BFCDRN Cc1ccc(O)c(CN[C@@H]2CCCC2(F)F)c1 ZINC000398017623 711398465 /nfs/dbraw/zinc/39/84/65/711398465.db2.gz XUULYDGBYDNAHJ-GFCCVEGCSA-N 0 0 241.281 2.978 20 10 BFCDRN C[C@@H](N[C@@H](C)c1csnn1)c1ccccc1O ZINC000398467609 711410560 /nfs/dbraw/zinc/41/05/60/711410560.db2.gz LUXNSSQCSJHZLS-BDAKNGLRSA-N 0 0 249.339 2.656 20 10 BFCDRN C[C@@H](F)CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000393502900 710609115 /nfs/dbraw/zinc/60/91/15/710609115.db2.gz VRYBFHRNQARMPX-RKDXNWHRSA-N 0 0 229.270 2.930 20 10 BFCDRN C[C@H](F)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000393502897 710609678 /nfs/dbraw/zinc/60/96/78/710609678.db2.gz VRYBFHRNQARMPX-IUCAKERBSA-N 0 0 229.270 2.930 20 10 BFCDRN COc1ccc(CNCc2cnc(C)o2)cc1C ZINC000397911079 711396831 /nfs/dbraw/zinc/39/68/31/711396831.db2.gz HVXAOXSZTUSOOM-UHFFFAOYSA-N 0 0 246.310 2.590 20 10 BFCDRN CCCCN(C)c1ccc(OC)c(OC)c1 ZINC000038813057 711482109 /nfs/dbraw/zinc/48/21/09/711482109.db2.gz BAIZJVLGNZFNDC-UHFFFAOYSA-N 0 0 223.316 2.940 20 10 BFCDRN CC[C@@H]1C[C@H]1CN(C)c1ccc(N)cc1 ZINC000723057578 711498593 /nfs/dbraw/zinc/49/85/93/711498593.db2.gz SLCCFIRDCJIGPX-MNOVXSKESA-N 0 0 204.317 2.751 20 10 BFCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703346926 712072405 /nfs/dbraw/zinc/07/24/05/712072405.db2.gz GCEOYCVQJFKSSV-PSASIEDQSA-N 0 0 241.281 2.949 20 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CC1CC([N@H+](C)Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508602 961465657 /nfs/dbraw/zinc/46/56/57/961465657.db2.gz FBEVKAJOEJVMSI-UHFFFAOYSA-N 0 0 241.281 2.901 20 10 BFCDRN CCc1ccc(C[N@H+](C)C2CC2)c(O)c1 ZINC001236783984 979729235 /nfs/dbraw/zinc/72/92/35/979729235.db2.gz QPTSOLYQWQDANW-UHFFFAOYSA-N 0 0 205.301 2.549 20 10 BFCDRN COc1cnc(F)cc1Nc1ccc(N)cc1 ZINC001215805563 970852068 /nfs/dbraw/zinc/85/20/68/970852068.db2.gz CVTNFOXDIUZXSA-UHFFFAOYSA-N 0 0 233.246 2.555 20 10 BFCDRN COc1cnc(F)cc1N(C)c1ccc(N)cc1 ZINC001215809646 970856185 /nfs/dbraw/zinc/85/61/85/970856185.db2.gz USUOBTMJBGFNCM-UHFFFAOYSA-N 0 0 247.273 2.579 20 10 BFCDRN Cc1c(F)cncc1N(C)c1ccc(N)cc1 ZINC001216195601 970980802 /nfs/dbraw/zinc/98/08/02/970980802.db2.gz CUSQAHLVWBWKKQ-UHFFFAOYSA-N 0 0 231.274 2.879 20 10 BFCDRN Oc1ccc(-c2csc(NC3CC3)n2)cc1O ZINC000048627716 957771683 /nfs/dbraw/zinc/77/16/83/957771683.db2.gz GLLAAHDTODVKJS-UHFFFAOYSA-N 0 0 248.307 2.796 20 10 BFCDRN Nc1ccc(Nc2cc(O)ccc2F)cc1 ZINC001210802019 957906538 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CC1CC([N@H+](C)Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684602 991313477 /nfs/dbraw/zinc/31/34/77/991313477.db2.gz JTVLVLIJMKDBFF-UHFFFAOYSA-N 0 0 241.281 2.901 20 10 BFCDRN Cc1ccc(C)c(CN2CCCCO2)c1O ZINC001140178161 991548356 /nfs/dbraw/zinc/54/83/56/991548356.db2.gz BDBCHHPKCRCEQI-UHFFFAOYSA-N 0 0 221.300 2.536 20 10 BFCDRN Cc1ccc(C)c(CN(C)CC(F)F)c1O ZINC001140185150 991558093 /nfs/dbraw/zinc/55/80/93/991558093.db2.gz QBNKOLODZPXKCU-UHFFFAOYSA-N 0 0 229.270 2.706 20 10 BFCDRN CN(Cc1ccc(Cl)cc1O)CC(F)F ZINC001140468676 991647185 /nfs/dbraw/zinc/64/71/85/991647185.db2.gz UBOWUBOLSFNBHI-UHFFFAOYSA-N 0 0 235.661 2.743 20 10 BFCDRN C[C@@H](NCc1ccc(Cl)cc1O)C(F)F ZINC001560983221 991676386 /nfs/dbraw/zinc/67/63/86/991676386.db2.gz SIQZEGNNYZWQLF-ZCFIWIBFSA-N 0 0 235.661 2.789 20 10 BFCDRN C[C@H](NCc1ccc(Cl)cc1O)C(F)F ZINC001560983220 991677315 /nfs/dbraw/zinc/67/73/15/991677315.db2.gz SIQZEGNNYZWQLF-LURJTMIESA-N 0 0 235.661 2.789 20 10 BFCDRN CCC[C@H](C)CCNC(=O)Cc1ccc(N)cc1 ZINC001262040306 992627375 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OXWAIKXCFCQAAC-UHFFFAOYSA-N 0 0 247.672 2.933 20 10 BFCDRN CC1(C)SC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000282847158 187241221 /nfs/dbraw/zinc/24/12/21/187241221.db2.gz DCHRDFPQALUCPD-SNVBAGLBSA-N 0 0 241.331 2.515 20 10 BFCDRN Cc1nccn1CCCSc1nccs1 ZINC000264110123 180248338 /nfs/dbraw/zinc/24/83/38/180248338.db2.gz DSFAOWGNGXRZKS-UHFFFAOYSA-N 0 0 239.369 2.830 20 10 BFCDRN CC1(C)CCC[C@H]1C(=O)NCc1ccccc1O ZINC000229007446 350563877 /nfs/dbraw/zinc/56/38/77/350563877.db2.gz RCRJEQTZJYVTQA-LBPRGKRZSA-N 0 0 247.338 2.835 20 10 BFCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000272328441 188026767 /nfs/dbraw/zinc/02/67/67/188026767.db2.gz VSWRAQBSHAPGNN-UHFFFAOYSA-N 0 0 235.302 2.907 20 10 BFCDRN CC(C)(CC(=O)NCc1ccccc1O)C1CC1 ZINC000293638870 188267965 /nfs/dbraw/zinc/26/79/65/188267965.db2.gz HLWFHHSNSWLKRM-UHFFFAOYSA-N 0 0 247.338 2.835 20 10 BFCDRN CC(C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191180315 355337842 /nfs/dbraw/zinc/33/78/42/355337842.db2.gz LJGYSGPZVMTFJH-QMMMGPOBSA-N 0 0 229.270 2.977 20 10 BFCDRN CCCC[C@@H](C)C(=O)NCc1ccc(N)cc1 ZINC000297266469 359569752 /nfs/dbraw/zinc/56/97/52/359569752.db2.gz SEGBDSGGBDSXFZ-LLVKDONJSA-N 0 0 234.343 2.711 20 10 BFCDRN Cc1ccc(O)c(C[N@H+](C)Cc2ccccn2)c1 ZINC000034083030 368262511 /nfs/dbraw/zinc/26/25/11/368262511.db2.gz OMWZQSUEWQWTHR-UHFFFAOYSA-N 0 0 242.322 2.728 20 10 BFCDRN O=C(CSc1nccs1)C1CCC1 ZINC000278100230 182010184 /nfs/dbraw/zinc/01/01/84/182010184.db2.gz ZHINYMJGGSUVAF-UHFFFAOYSA-N 0 0 213.327 2.604 20 10 BFCDRN CCC[N@H+](CC)Cc1cc(OC)ccc1O ZINC000132553866 169129961 /nfs/dbraw/zinc/12/99/61/169129961.db2.gz KZFROBDQQVEPSP-UHFFFAOYSA-N 0 0 223.316 2.633 20 10 BFCDRN Oc1cccc(Cl)c1CNCC(F)(F)F ZINC000127224657 183292366 /nfs/dbraw/zinc/29/23/66/183292366.db2.gz ORIHHFXTIVQPSM-UHFFFAOYSA-N 0 0 239.624 2.698 20 10 BFCDRN Oc1cccc(Nc2ccccc2)c1O ZINC000073241394 183292851 /nfs/dbraw/zinc/29/28/51/183292851.db2.gz ZNKLACXCGOFVBZ-UHFFFAOYSA-N 0 0 201.225 2.841 20 10 BFCDRN Oc1ccccc1CN[C@@H](C1CC1)C(F)(F)F ZINC000288494867 183303851 /nfs/dbraw/zinc/30/38/51/183303851.db2.gz RHVBKSVUECBYOV-NSHDSACASA-N 0 0 245.244 2.823 20 10 BFCDRN CCC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000285514758 169278425 /nfs/dbraw/zinc/27/84/25/169278425.db2.gz DNUHVJOTRSTAPQ-NSHDSACASA-N 0 0 211.280 2.982 20 10 BFCDRN C[C@H](CCCCO)[NH2+][C@H](C)c1ccccc1O ZINC000296266977 384010662 /nfs/dbraw/zinc/01/06/62/384010662.db2.gz DMIOAKUXFAVNIE-VXGBXAGGSA-N 0 0 237.343 2.594 20 10 BFCDRN C[C@@H](C(=O)NCc1ccc(N)cc1)C(C)(C)C ZINC000297204425 384266760 /nfs/dbraw/zinc/26/67/60/384266760.db2.gz MVXKWXKOKPKMLT-JTQLQIEISA-N 0 0 234.343 2.567 20 10 BFCDRN CC[C@H](COC)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000079735201 384512167 /nfs/dbraw/zinc/51/21/67/384512167.db2.gz ANRLFBVCTAROEP-MWLCHTKSSA-N 0 0 241.306 2.607 20 10 BFCDRN CSCCCSc1nccs1 ZINC000153815564 384528192 /nfs/dbraw/zinc/52/81/92/384528192.db2.gz GHQURBIMJPAEQY-UHFFFAOYSA-N 0 0 205.373 2.988 20 10 BFCDRN c1csc(SCCO[C@H]2CCCCO2)n1 ZINC000187681986 384971173 /nfs/dbraw/zinc/97/11/73/384971173.db2.gz BGVZDWWOXJZTOW-VIFPVBQESA-N 0 0 245.369 2.778 20 10 BFCDRN C[N@H+](Cc1cccc(F)c1[O-])C1CCCC1 ZINC000165408709 385119804 /nfs/dbraw/zinc/11/98/04/385119804.db2.gz WSLDBLMKIUDIKN-UHFFFAOYSA-N 0 0 223.291 2.906 20 10 BFCDRN CCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062744785 385182950 /nfs/dbraw/zinc/18/29/50/385182950.db2.gz YLNYBBRHLVBTKP-SECBINFHSA-N 0 0 211.280 2.982 20 10 BFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000062745832 385188220 /nfs/dbraw/zinc/18/82/20/385188220.db2.gz GLOXMVKQWXZLIX-BDAKNGLRSA-N 0 0 223.291 2.980 20 10 BFCDRN CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000191655750 385313382 /nfs/dbraw/zinc/31/33/82/385313382.db2.gz HKSKMFPCBDZPLZ-LPEHRKFASA-N 0 0 241.306 2.605 20 10 BFCDRN CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000191655794 385313857 /nfs/dbraw/zinc/31/38/57/385313857.db2.gz HKSKMFPCBDZPLZ-AEJSXWLSSA-N 0 0 241.306 2.605 20 10 BFCDRN C[N@@H+](Cc1ccccc1O)C[C@H]1CCC=CO1 ZINC000193757383 385411352 /nfs/dbraw/zinc/41/13/52/385411352.db2.gz XOGJZQNNXSOETQ-CYBMUJFWSA-N 0 0 233.311 2.517 20 10 BFCDRN CC(C)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000157753126 385520675 /nfs/dbraw/zinc/52/06/75/385520675.db2.gz UJHIEBCIYSLBPT-UHFFFAOYSA-N 0 0 213.708 2.886 20 10 BFCDRN CCCc1nnc(NCc2cc(C)ccc2O)o1 ZINC000181681170 385593713 /nfs/dbraw/zinc/59/37/13/385593713.db2.gz BAUAAGJHCFZNEW-UHFFFAOYSA-N 0 0 247.298 2.648 20 10 BFCDRN C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccccc1O ZINC000183564825 385771234 /nfs/dbraw/zinc/77/12/34/385771234.db2.gz IJKAPYZBFPVDCX-VXGBXAGGSA-N 0 0 249.354 2.858 20 10 BFCDRN COC(=O)[C@H](CC(C)C)Sc1nccs1 ZINC000285198118 385905032 /nfs/dbraw/zinc/90/50/32/385905032.db2.gz OWPOMAUQLVABSF-QMMMGPOBSA-N 0 0 245.369 2.823 20 10 BFCDRN CC[C@H]1CCC[C@@H]1C(=O)NCc1ccccc1O ZINC000295397532 386027213 /nfs/dbraw/zinc/02/72/13/386027213.db2.gz YZLGARISLLZJIQ-AAEUAGOBSA-N 0 0 247.338 2.835 20 10 BFCDRN C[C@@H](C(=O)NCCc1ccc(N)cc1)C(C)(C)C ZINC000262570694 386346768 /nfs/dbraw/zinc/34/67/68/386346768.db2.gz CUQUAYIZPWCTEO-NSHDSACASA-N 0 0 248.370 2.610 20 10 BFCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(F)c(F)c1[O-] ZINC000276928938 386392044 /nfs/dbraw/zinc/39/20/44/386392044.db2.gz NYDGXKMSCKXDRL-VGMNWLOBSA-N 0 0 241.281 2.977 20 10 BFCDRN CCCc1nsc(NCc2ccccc2O)n1 ZINC000228427339 386574360 /nfs/dbraw/zinc/57/43/60/386574360.db2.gz XSZPNNHAUZBCPA-UHFFFAOYSA-N 0 0 249.339 2.808 20 10 BFCDRN CC(C(=O)NCc1ccccc1O)=C1CCCC1 ZINC000269158943 386757887 /nfs/dbraw/zinc/75/78/87/386757887.db2.gz SZMYWTWZRVSXDO-UHFFFAOYSA-N 0 0 245.322 2.899 20 10 BFCDRN CCN(CC)c1ccc(C[NH2+]CCF)cc1 ZINC000280654289 386831132 /nfs/dbraw/zinc/83/11/32/386831132.db2.gz KGVXQWUEOJKWSR-UHFFFAOYSA-N 0 0 224.323 2.592 20 10 BFCDRN O=C(CCC1CCCC1)NCc1ccccc1O ZINC000133781436 387802307 /nfs/dbraw/zinc/80/23/07/387802307.db2.gz CTDKFWZJNHCYCV-UHFFFAOYSA-N 0 0 247.338 2.979 20 10 BFCDRN CS[C@@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000163995472 388122570 /nfs/dbraw/zinc/12/25/70/388122570.db2.gz JKZQAHIKOOXADD-VHSXEESVSA-N 0 0 225.357 2.794 20 10 BFCDRN CSC[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162658887 388252044 /nfs/dbraw/zinc/25/20/44/388252044.db2.gz YBZFNWCYZYBNIB-QMMMGPOBSA-N 0 0 245.775 2.887 20 10 BFCDRN CC/C=C(\C)C(=O)N(C)Cc1ccccc1O ZINC000268619983 389003539 /nfs/dbraw/zinc/00/35/39/389003539.db2.gz JRQPSROHVRKLBA-YRNVUSSQSA-N 0 0 233.311 2.707 20 10 BFCDRN CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000052396810 132362213 /nfs/dbraw/zinc/36/22/13/132362213.db2.gz WVROOQGAGWDHQG-UHFFFAOYSA-N 0 0 246.354 2.655 20 10 BFCDRN CCCC1(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000261561940 135203565 /nfs/dbraw/zinc/20/35/65/135203565.db2.gz GGTNPSOCTLXZOA-UHFFFAOYSA-N 0 0 246.354 2.508 20 10 BFCDRN CC(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370820 397996875 /nfs/dbraw/zinc/99/68/75/397996875.db2.gz FYULLTXWZMSWCB-VIFPVBQESA-N 0 0 238.287 2.607 20 10 BFCDRN CC1(CC[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000280108876 168020466 /nfs/dbraw/zinc/02/04/66/168020466.db2.gz BFTIFLOLYAANCE-UHFFFAOYSA-N 0 0 223.291 2.811 20 10 BFCDRN CCOCCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062744932 170381088 /nfs/dbraw/zinc/38/10/88/170381088.db2.gz YFOLGSDKEIDVBV-JTQLQIEISA-N 0 0 241.306 2.609 20 10 BFCDRN CCSCCN(C)c1ccc2c(c1)OCO2 ZINC000121243109 170631707 /nfs/dbraw/zinc/63/17/07/170631707.db2.gz LKJMFYUDPGOFHN-UHFFFAOYSA-N 0 0 239.340 2.605 20 10 BFCDRN CC[C@@H]([NH2+]C[C@@H](C)OC)c1ccc(F)cc1[O-] ZINC000287560263 170898553 /nfs/dbraw/zinc/89/85/53/170898553.db2.gz QDRRUYJORUVDJV-BXKDBHETSA-N 0 0 241.306 2.607 20 10 BFCDRN CC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273301135 171346340 /nfs/dbraw/zinc/34/63/40/171346340.db2.gz BLCLPNYHDCTLOP-IUCAKERBSA-N 0 0 238.287 2.750 20 10 BFCDRN CCc1nccn1Cc1ccc(N(C)C)c(C)c1 ZINC000292714761 172027728 /nfs/dbraw/zinc/02/77/28/172027728.db2.gz RRWHZIBYPJQMOT-UHFFFAOYSA-N 0 0 243.354 2.868 20 10 BFCDRN CCc1nnc(NCc2cc(C)ccc2O)s1 ZINC000181475235 172060007 /nfs/dbraw/zinc/06/00/07/172060007.db2.gz JHSFNTHEOKIHBT-UHFFFAOYSA-N 0 0 249.339 2.727 20 10 BFCDRN CCn1cc(N[C@@H]2CCc3cccc(O)c32)cn1 ZINC000297053540 172186236 /nfs/dbraw/zinc/18/62/36/172186236.db2.gz VRBJNRFTKBYSIM-GFCCVEGCSA-N 0 0 243.310 2.708 20 10 BFCDRN CN(C)c1ccc(CNc2cccnc2)cc1 ZINC000019884110 172553793 /nfs/dbraw/zinc/55/37/93/172553793.db2.gz JDWBXQPWERBQBD-UHFFFAOYSA-N 0 0 227.311 2.760 20 10 BFCDRN CN(Cc1ccc(N)cc1)c1ccccc1 ZINC000020191866 172855149 /nfs/dbraw/zinc/85/51/49/172855149.db2.gz UCXLEGVLADCRFN-UHFFFAOYSA-N 0 0 212.296 2.905 20 10 BFCDRN COCC[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162834807 174383944 /nfs/dbraw/zinc/38/39/44/174383944.db2.gz ONRAIBFUNFJZFV-SECBINFHSA-N 0 0 243.734 2.560 20 10 BFCDRN COc1ccc(N(C)CC2CC2)cc1F ZINC000156702194 175135872 /nfs/dbraw/zinc/13/58/72/175135872.db2.gz GDGMZUQRDXCRLE-UHFFFAOYSA-N 0 0 209.264 2.681 20 10 BFCDRN C[C@@H]1C[NH+](Cc2cccc(F)c2[O-])C[C@H]1C ZINC000165418717 176305658 /nfs/dbraw/zinc/30/56/58/176305658.db2.gz PKCBDLNIKWZUOG-NXEZZACHSA-N 0 0 223.291 2.619 20 10 BFCDRN C[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000035407545 177093411 /nfs/dbraw/zinc/09/34/11/177093411.db2.gz BODGTCNYFIKJAA-JTQLQIEISA-N 0 0 233.315 2.533 20 10 BFCDRN C[C@H]1CC[C@H](CCC(=O)Nc2ccc(N)cc2)O1 ZINC000237562045 177201379 /nfs/dbraw/zinc/20/13/79/177201379.db2.gz KSEFPICXFWHDDW-GXFFZTMASA-N 0 0 248.326 2.555 20 10 BFCDRN C[C@@H]1C[C@H](C)CN(C(=O)Nc2ccc(N)cc2)C1 ZINC000035407918 177311630 /nfs/dbraw/zinc/31/16/30/177311630.db2.gz CVUBFROOOAPEJG-PHIMTYICSA-N 0 0 247.342 2.779 20 10 BFCDRN C/C=C(/C)C(=O)NCc1cccc(Cl)c1O ZINC000890760660 582536918 /nfs/dbraw/zinc/53/69/18/582536918.db2.gz VGRSLJLGKPPMDV-BAQGIRSFSA-N 0 0 239.702 2.628 20 10 BFCDRN CN(C[C@@H]1CC1(C)C)C(=O)Nc1ccc(N)cc1 ZINC000853321943 588732696 /nfs/dbraw/zinc/73/26/96/588732696.db2.gz VUVMCYODPSWYBF-JTQLQIEISA-N 0 0 247.342 2.779 20 10 BFCDRN CC[C@H](C)N(CC)C(=O)C1=CC(=O)CS1 ZINC000855145163 588823994 /nfs/dbraw/zinc/82/39/94/588823994.db2.gz JVMJGBVFJMTJPI-QMMMGPOBSA-N 0 0 227.329 2.714 20 10 BFCDRN c1csc(SCCc2cccnc2)n1 ZINC000114098054 588867457 /nfs/dbraw/zinc/86/74/57/588867457.db2.gz VBMBIWIBECBCLR-UHFFFAOYSA-N 0 0 222.338 2.873 20 10 BFCDRN CC(C)[C@@H](NC(=O)C1=CC(=O)CS1)C1CC1 ZINC000856125092 588861471 /nfs/dbraw/zinc/86/14/71/588861471.db2.gz ZVZBYUBQBSJIGW-LLVKDONJSA-N 0 0 239.340 2.618 20 10 BFCDRN c1csc(Sc2nc3c([nH]2)CCC3)n1 ZINC000893964019 583257908 /nfs/dbraw/zinc/25/79/08/583257908.db2.gz KWRRYQSSIPNVBI-UHFFFAOYSA-N 0 0 223.326 2.506 20 10 BFCDRN C[N@H+](CCC1CC1)Cc1cc(F)cc(F)c1[O-] ZINC000894095017 583299911 /nfs/dbraw/zinc/29/99/11/583299911.db2.gz OAYVVCJUEIDFSO-UHFFFAOYSA-N 0 0 241.281 2.902 20 10 BFCDRN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000894861665 583535470 /nfs/dbraw/zinc/53/54/70/583535470.db2.gz LPLPJDNQLLDPQG-JGVFFNPUSA-N 0 0 227.254 2.511 20 10 BFCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000894880063 583543408 /nfs/dbraw/zinc/54/34/08/583543408.db2.gz BUVMDZCKPSJJFM-GFCCVEGCSA-N 0 0 239.265 2.655 20 10 BFCDRN CCC1C[NH+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894969710 583560385 /nfs/dbraw/zinc/56/03/85/583560385.db2.gz PZGSBKOKJSVFSY-UHFFFAOYSA-N 0 0 227.254 2.512 20 10 BFCDRN c1csc(Sc2ncnc3[nH]ccc32)n1 ZINC000726967065 583576257 /nfs/dbraw/zinc/57/62/57/583576257.db2.gz JTBNDTOMDUADGS-UHFFFAOYSA-N 0 0 234.309 2.566 20 10 BFCDRN C[C@H](NCC(F)(F)F)c1ccccc1O ZINC000019436057 583605348 /nfs/dbraw/zinc/60/53/48/583605348.db2.gz HNSYHADYUTZYIK-ZETCQYMHSA-N 0 0 219.206 2.605 20 10 BFCDRN CC(C)(C)C1CN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841297581 583676996 /nfs/dbraw/zinc/67/69/96/583676996.db2.gz GTVZJKFNTXCTNY-UHFFFAOYSA-N 0 0 247.342 2.779 20 10 BFCDRN Cc1cc(O)c(CN2CC(OC(C)C)C2)cc1C ZINC000895954631 583752092 /nfs/dbraw/zinc/75/20/92/583752092.db2.gz DEGRENQNKOTKBO-UHFFFAOYSA-N 0 0 249.354 2.618 20 10 BFCDRN [O-]c1cccc(F)c1C[NH2+][C@H]1CCC12CCC2 ZINC000896637224 583818909 /nfs/dbraw/zinc/81/89/09/583818909.db2.gz JAFQWTMKPPYHLF-ZDUSSCGKSA-N 0 0 235.302 2.954 20 10 BFCDRN C[C@H]([NH2+]Cc1c([O-])cccc1F)[C@H]1CC1(F)F ZINC000896638940 583819896 /nfs/dbraw/zinc/81/98/96/583819896.db2.gz RZLWMXVTNMEXSK-IONNQARKSA-N 0 0 245.244 2.665 20 10 BFCDRN [O-]c1cccc(F)c1C[NH2+][C@H]1CCCSC1 ZINC000896637706 583819931 /nfs/dbraw/zinc/81/99/31/583819931.db2.gz QJQKNBDATWXKOF-VIFPVBQESA-N 0 0 241.331 2.517 20 10 BFCDRN [O-]c1cccc(F)c1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000896639510 583819941 /nfs/dbraw/zinc/81/99/41/583819941.db2.gz VQDQGRZGBJRYOK-GXFFZTMASA-N 0 0 235.302 2.810 20 10 BFCDRN [O-]c1cccc(F)c1C[NH2+][C@H]1CCCC12CC2 ZINC000896638022 583820035 /nfs/dbraw/zinc/82/00/35/583820035.db2.gz NKVNHOKOPBCESO-ZDUSSCGKSA-N 0 0 235.302 2.954 20 10 BFCDRN CC(C)(C)C[NH2+]Cc1c([O-])cccc1F ZINC000896640688 583820401 /nfs/dbraw/zinc/82/04/01/583820401.db2.gz LVKZYZLUKVEUMZ-UHFFFAOYSA-N 0 0 211.280 2.667 20 10 BFCDRN CCc1ccc(C[NH2+]Cc2c([O-])cccc2F)o1 ZINC000896641438 583820445 /nfs/dbraw/zinc/82/04/45/583820445.db2.gz RLECGRXRZSLFKC-UHFFFAOYSA-N 0 0 249.285 2.977 20 10 BFCDRN COCCCN(C)c1ccc(OC)c(Cl)c1 ZINC000121874737 583988050 /nfs/dbraw/zinc/98/80/50/583988050.db2.gz IJKQWRYVSFEUEL-UHFFFAOYSA-N 0 0 243.734 2.821 20 10 BFCDRN C/C=C/C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000858536367 588962321 /nfs/dbraw/zinc/96/23/21/588962321.db2.gz HBCCJQNECQXNNB-RTMURIBGSA-N 0 0 227.254 2.897 20 10 BFCDRN Nc1ccc(OCc2cc(C3CC3)no2)cc1 ZINC000901395698 584438383 /nfs/dbraw/zinc/43/83/83/584438383.db2.gz JZJYNQMVNVDBER-UHFFFAOYSA-N 0 0 230.267 2.713 20 10 BFCDRN CC(C)Oc1ccc(N(C)CC[C@H](C)O)cc1 ZINC000829234804 584906382 /nfs/dbraw/zinc/90/63/82/584906382.db2.gz UESXERFHEDJQLY-LBPRGKRZSA-N 0 0 237.343 2.681 20 10 BFCDRN COc1ccc(N(C)C[C@H]2C[C@@H]2C)cc1F ZINC000754145604 584913808 /nfs/dbraw/zinc/91/38/08/584913808.db2.gz VSKTZUAVTARGBW-VHSXEESVSA-N 0 0 223.291 2.927 20 10 BFCDRN COc1ccc(N(C)C[C@H]2C[C@H]2C)cc1F ZINC000754145602 584913871 /nfs/dbraw/zinc/91/38/71/584913871.db2.gz VSKTZUAVTARGBW-NXEZZACHSA-N 0 0 223.291 2.927 20 10 BFCDRN C[C@@H]1C[C@@H](C)CN(C(=O)C2=CC(=O)CS2)C1 ZINC000731865723 584930004 /nfs/dbraw/zinc/93/00/04/584930004.db2.gz DXZGPWFQTLHNNQ-RKDXNWHRSA-N 0 0 239.340 2.572 20 10 BFCDRN C[C@H]1CCCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000731867191 584930662 /nfs/dbraw/zinc/93/06/62/584930662.db2.gz YZYHNGYDWZBNBP-WPRPVWTQSA-N 0 0 239.340 2.762 20 10 BFCDRN C[C@H]1CCC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732268620 584935034 /nfs/dbraw/zinc/93/50/34/584935034.db2.gz KWWYDQBJCZINLO-IUCAKERBSA-N 0 0 239.340 2.762 20 10 BFCDRN CC(C)[C@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000732268690 584935079 /nfs/dbraw/zinc/93/50/79/584935079.db2.gz AAJLJEKCLFVREP-QMMMGPOBSA-N 0 0 227.329 2.570 20 10 BFCDRN C[C@H](NC(=O)C1=CC(=O)CS1)C1CCCC1 ZINC000733809203 584953387 /nfs/dbraw/zinc/95/33/87/584953387.db2.gz BNUQRPPFZIXTPE-QMMMGPOBSA-N 0 0 239.340 2.762 20 10 BFCDRN CCOc1ccc(N(C)CCC2(O)CCC2)cc1 ZINC000839494491 585105411 /nfs/dbraw/zinc/10/54/11/585105411.db2.gz MQOBFPFKCVZQDL-UHFFFAOYSA-N 0 0 249.354 2.827 20 10 BFCDRN COc1ccc2c(c1)CCCN2CCC(C)(C)O ZINC000749828823 585207218 /nfs/dbraw/zinc/20/72/18/585207218.db2.gz OJEOJPAWCGOGIK-UHFFFAOYSA-N 0 0 249.354 2.609 20 10 BFCDRN CC(C)C[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000752632937 585248505 /nfs/dbraw/zinc/24/85/05/585248505.db2.gz ZVBUHOWJIFKAQF-MRVPVSSYSA-N 0 0 227.329 2.618 20 10 BFCDRN COCC(C)(C)CN1CCc2cc(OC)ccc21 ZINC000756075429 585313961 /nfs/dbraw/zinc/31/39/61/585313961.db2.gz CULNPWOYZZQULF-UHFFFAOYSA-N 0 0 249.354 2.730 20 10 BFCDRN CC[C@H](C)COC(=O)C1=CC(=O)CS1 ZINC000756411207 585319492 /nfs/dbraw/zinc/31/94/92/585319492.db2.gz PTLKHMUKVXLQAX-ZETCQYMHSA-N 0 0 214.286 2.657 20 10 BFCDRN C[C@H](OC(=O)C1=CC(=O)CS1)c1ccncc1 ZINC000757711574 585344727 /nfs/dbraw/zinc/34/47/27/585344727.db2.gz SELFDLRTVZQYAL-QMMMGPOBSA-N 0 0 249.291 2.767 20 10 BFCDRN COc1ccc(N(C)CCF)cc1Cl ZINC000759371929 585371578 /nfs/dbraw/zinc/37/15/78/585371578.db2.gz PCDPBUWGRNBWGL-UHFFFAOYSA-N 0 0 217.671 2.754 20 10 BFCDRN C[C@H](CCC1CC1)NC(=O)C1=CC(=O)CS1 ZINC000769656984 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/nfs/dbraw/zinc/29/58/76/590295876.db2.gz PHFZKVLXSFVGTJ-UHFFFAOYSA-N 0 0 237.368 2.640 20 10 BFCDRN C[C@@H]1CCCCCN1C(=O)c1cccc(O)c1O ZINC000126430944 590302121 /nfs/dbraw/zinc/30/21/21/590302121.db2.gz LXSYNDPEHONAPI-SNVBAGLBSA-N 0 0 249.310 2.503 20 10 BFCDRN Cc1ccc(CNC2(C(F)F)CC2)c(O)c1 ZINC000877501111 590342117 /nfs/dbraw/zinc/34/21/17/590342117.db2.gz IDLIKAYKNLMRRK-UHFFFAOYSA-N 0 0 227.254 2.588 20 10 BFCDRN COC1(C[NH2+]Cc2ccc(C)cc2O)CCCC1 ZINC000877554485 590356696 /nfs/dbraw/zinc/35/66/96/590356696.db2.gz KNYSYIGUZSJEHB-UHFFFAOYSA-N 0 0 249.354 2.749 20 10 BFCDRN CO[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C[C@H]1C ZINC000877566003 590360542 /nfs/dbraw/zinc/36/05/42/590360542.db2.gz UHBTYVDAABXZFD-IUODEOHRSA-N 0 0 249.354 2.557 20 10 BFCDRN Cc1ccc(Cn2cnc3c2CCCC3)c(O)c1 ZINC000877647968 590383733 /nfs/dbraw/zinc/38/37/33/590383733.db2.gz ATXDICCUEJAGMA-UHFFFAOYSA-N 0 0 242.322 2.824 20 10 BFCDRN Cc1cnc(CN2Cc3cccc(O)c3C2)s1 ZINC000877702575 590395426 /nfs/dbraw/zinc/39/54/26/590395426.db2.gz BZVARBCYTQSQCU-UHFFFAOYSA-N 0 0 246.335 2.673 20 10 BFCDRN CC[C@](C)(C[N@@H+]1Cc2cccc(O)c2C1)OC ZINC000877702735 590396342 /nfs/dbraw/zinc/39/63/42/590396342.db2.gz FSTVJEVTRVNMGG-CQSZACIVSA-N 0 0 235.327 2.523 20 10 BFCDRN CCOc1ccc(N(C)C[C@@H]2CCO[C@@H]2C)cc1 ZINC000878124154 590500628 /nfs/dbraw/zinc/50/06/28/590500628.db2.gz HJMCVOMDHBNBFL-OLZOCXBDSA-N 0 0 249.354 2.947 20 10 BFCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000128526716 591112616 /nfs/dbraw/zinc/11/26/16/591112616.db2.gz BGUULALWPDGSRN-MWLCHTKSSA-N 0 0 223.291 2.810 20 10 BFCDRN CCCN(Cc1ccccc1O)C(=O)C(C)C ZINC000129942176 591423846 /nfs/dbraw/zinc/42/38/46/591423846.db2.gz QKKIVSJRXIOXFV-UHFFFAOYSA-N 0 0 235.327 2.787 20 10 BFCDRN CCOc1ccc(CN[C@@H](C)C(F)F)c(O)c1 ZINC000883406996 591649760 /nfs/dbraw/zinc/64/97/60/591649760.db2.gz HYQTZDPLWMHXEN-QMMMGPOBSA-N 0 0 245.269 2.534 20 10 BFCDRN Cc1ccc(O)c(C[N@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000132751264 591735221 /nfs/dbraw/zinc/73/52/21/591735221.db2.gz RKAWZRQJVURBGJ-TXEJJXNPSA-N 0 0 219.328 2.788 20 10 BFCDRN C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1c([O-])cccc1F ZINC000886513348 592241100 /nfs/dbraw/zinc/24/11/00/592241100.db2.gz ZHKHYKLNEGNASR-GUBZILKMSA-N 0 0 223.291 2.838 20 10 BFCDRN CO[C@H](C)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886521170 592244367 /nfs/dbraw/zinc/24/43/67/592244367.db2.gz WDTCXVFWIFGHEA-ZJUUUORDSA-N 0 0 241.306 2.607 20 10 BFCDRN C/C=C\C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886643033 592287760 /nfs/dbraw/zinc/28/77/60/592287760.db2.gz JCALGSFTSGKVTL-TYRPZCRBSA-N 0 0 209.264 2.758 20 10 BFCDRN Cc1cnc(CN[C@@H](C)c2ccccc2O)o1 ZINC000223660957 592537378 /nfs/dbraw/zinc/53/73/78/592537378.db2.gz AONGEFRKYGJCER-JTQLQIEISA-N 0 0 232.283 2.539 20 10 BFCDRN COc1ccc(N(C)CC(C)C)c(OC)c1 ZINC000195005598 634414910 /nfs/dbraw/zinc/41/49/10/634414910.db2.gz WHBGIDYVAMGVEB-UHFFFAOYSA-N 0 0 223.316 2.796 20 10 BFCDRN CCCC1(C(=O)NCc2ccccc2O)CC1 ZINC000310107694 634525882 /nfs/dbraw/zinc/52/58/82/634525882.db2.gz BAJLUKYMGTXJOA-UHFFFAOYSA-N 0 0 233.311 2.589 20 10 BFCDRN CCC1(C(=O)Nc2ccc(N)cc2)CCC1 ZINC000236871301 635607825 /nfs/dbraw/zinc/60/78/25/635607825.db2.gz MEUXIHQHKWHFKA-UHFFFAOYSA-N 0 0 218.300 2.788 20 10 BFCDRN C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(F)cc1[O-] ZINC000309288912 631992662 /nfs/dbraw/zinc/99/26/62/631992662.db2.gz JFIOFBIJZYAQTM-PTRXPTGYSA-N 0 0 223.291 2.980 20 10 BFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(N)=O ZINC000060196482 632578174 /nfs/dbraw/zinc/57/81/74/632578174.db2.gz FABFZQIFQFPMJN-UHFFFAOYSA-N 0 0 228.295 2.501 20 10 BFCDRN CCCC1(C(=O)N(C)c2ccc(N)cc2)CC1 ZINC000310300266 632717079 /nfs/dbraw/zinc/71/70/79/632717079.db2.gz QCWWMOAPNHZBTN-UHFFFAOYSA-N 0 0 232.327 2.812 20 10 BFCDRN CCOC[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162860996 633039980 /nfs/dbraw/zinc/03/99/80/633039980.db2.gz BCAJUCBDQDVPDX-VIFPVBQESA-N 0 0 243.734 2.560 20 10 BFCDRN C[C@@H]1SCC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000309845918 633833991 /nfs/dbraw/zinc/83/39/91/633833991.db2.gz TXFVQNZQDNPVLP-GZMMTYOYSA-N 0 0 241.331 2.515 20 10 BFCDRN C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186492719 634077157 /nfs/dbraw/zinc/07/71/57/634077157.db2.gz HMWMWTZIUMYRQG-IJWDBEHRSA-N 0 0 249.354 2.678 20 10 BFCDRN CC[C@H]([NH2+]Cc1c([O-])cccc1F)C1CC1 ZINC000896644765 636209211 /nfs/dbraw/zinc/20/92/11/636209211.db2.gz YZSSGPHWHSLRJE-LBPRGKRZSA-N 0 0 223.291 2.810 20 10 BFCDRN CC1(CCC(=O)Nc2ccc(N)cc2)CC1 ZINC000911659552 639692128 /nfs/dbraw/zinc/69/21/28/639692128.db2.gz BYVNAYVGUIDFAE-UHFFFAOYSA-N 0 0 218.300 2.788 20 10 BFCDRN C[C@]1(C(=O)Nc2ccc(N)cc2)C=CCC1 ZINC000911661259 639692152 /nfs/dbraw/zinc/69/21/52/639692152.db2.gz SITMQALRJSJJHQ-ZDUSSCGKSA-N 0 0 216.284 2.564 20 10 BFCDRN C[C@@H](N[C@@H](C)c1ncccn1)c1ccccc1O ZINC000931553919 640272345 /nfs/dbraw/zinc/27/23/45/640272345.db2.gz IMOIEJFGFLSECL-MNOVXSKESA-N 0 0 243.310 2.594 20 10 BFCDRN O=C(C1=CC(=O)CS1)N1CC=CC12CCCC2 ZINC000913206061 640334088 /nfs/dbraw/zinc/33/40/88/640334088.db2.gz AKJYABHYNKVARO-UHFFFAOYSA-N 0 0 249.335 2.779 20 10 BFCDRN CN(CC1CCCC1)c1ccc(N)cc1 ZINC000058563238 640720690 /nfs/dbraw/zinc/72/06/90/640720690.db2.gz WOYDSDVLIZCIER-UHFFFAOYSA-N 0 0 204.317 2.895 20 10 BFCDRN Nc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 ZINC000059974143 640840681 /nfs/dbraw/zinc/84/06/81/640840681.db2.gz XDNWRZJDKBPFNS-SNVBAGLBSA-N 0 0 216.284 2.564 20 10 BFCDRN Nc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 ZINC000059974188 640841194 /nfs/dbraw/zinc/84/11/94/640841194.db2.gz ZUKLAUOOMDNCFA-SNVBAGLBSA-N 0 0 216.284 2.564 20 10 BFCDRN C/C=C\C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000228123725 640861266 /nfs/dbraw/zinc/86/12/66/640861266.db2.gz WDCBYUNDEMINGU-ALCCZGGFSA-N 0 0 246.354 2.677 20 10 BFCDRN CC(=O)OCCCCSc1nccs1 ZINC000171117919 640956830 /nfs/dbraw/zinc/95/68/30/640956830.db2.gz BXPMWKNFMQEFJH-UHFFFAOYSA-N 0 0 231.342 2.579 20 10 BFCDRN C[C@H]([NH2+]CC1(C)CC1)c1ccc(F)cc1[O-] ZINC000230667969 641078836 /nfs/dbraw/zinc/07/88/36/641078836.db2.gz NLDUDSDMULYHSA-VIFPVBQESA-N 0 0 223.291 2.982 20 10 BFCDRN CC1(C(=O)NCc2ccccc2O)CCCCC1 ZINC000232238852 641256789 /nfs/dbraw/zinc/25/67/89/641256789.db2.gz RDAYLAHABNVQPH-UHFFFAOYSA-N 0 0 247.338 2.979 20 10 BFCDRN CC(C)[C@H](NC(=O)Nc1ccc(N)cc1)C1CC1 ZINC000324079506 641392348 /nfs/dbraw/zinc/39/23/48/641392348.db2.gz GUVJGGMJIDQKCZ-ZDUSSCGKSA-N 0 0 247.342 2.825 20 10 BFCDRN CC[C@@H](O)CN(C)c1ccc(OC(C)C)cc1 ZINC000191592423 641933384 /nfs/dbraw/zinc/93/33/84/641933384.db2.gz FAKDXGWABFLHHM-CYBMUJFWSA-N 0 0 237.343 2.681 20 10 BFCDRN Cc1ccc(O)c(CNc2ccncc2F)c1 ZINC000192149380 641967348 /nfs/dbraw/zinc/96/73/48/641967348.db2.gz YSXQFUPQFZOVNJ-UHFFFAOYSA-N 0 0 232.258 2.847 20 10 BFCDRN CC[C@H]([NH2+]CCSC)c1ccccc1O ZINC000068994789 642818176 /nfs/dbraw/zinc/81/81/76/642818176.db2.gz JWJFPJVLQIDUFM-NSHDSACASA-N 0 0 225.357 2.796 20 10 BFCDRN Nc1ccc(NC(=O)C=C2CCCC2)cc1 ZINC000243761182 643043863 /nfs/dbraw/zinc/04/38/63/643043863.db2.gz QBXFRYKINHYCMB-UHFFFAOYSA-N 0 0 216.284 2.708 20 10 BFCDRN C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000071209855 643108821 /nfs/dbraw/zinc/10/88/21/643108821.db2.gz CZFDHMBQGWRWDJ-BXKDBHETSA-N 0 0 233.315 2.579 20 10 BFCDRN Cc1cc(CN[C@H](C)c2ccccc2O)no1 ZINC000044692268 643548585 /nfs/dbraw/zinc/54/85/85/643548585.db2.gz WLZBGRDDTNLJPS-SNVBAGLBSA-N 0 0 232.283 2.539 20 10 BFCDRN FC(F)(F)COCCSc1nccs1 ZINC000193461675 644244405 /nfs/dbraw/zinc/24/44/05/644244405.db2.gz AWBUSWIGBDYBLZ-UHFFFAOYSA-N 0 0 243.275 2.814 20 10 BFCDRN CC[C@@H](C)NC(=O)[C@@H](C)Sc1nccs1 ZINC000194356778 644315517 /nfs/dbraw/zinc/31/55/17/644315517.db2.gz TUKVBGYACXRFLQ-HTQZYQBOSA-N 0 0 244.385 2.538 20 10 BFCDRN COc1ccc2c(c1)CCCN2Cc1ccon1 ZINC000740873598 644559046 /nfs/dbraw/zinc/55/90/46/644559046.db2.gz OBVIPSLLQLURDA-UHFFFAOYSA-N 0 0 244.294 2.636 20 10 BFCDRN CN(CC1CCC1)c1ccc2c(c1)OCO2 ZINC000756654453 644628627 /nfs/dbraw/zinc/62/86/27/644628627.db2.gz UYKODOIZERAGJE-UHFFFAOYSA-N 0 0 219.284 2.652 20 10 BFCDRN [O-]c1c(F)cccc1C[NH2+]CCCc1ccco1 ZINC000827674093 645084723 /nfs/dbraw/zinc/08/47/23/645084723.db2.gz LULBEHVKZTXJIB-UHFFFAOYSA-N 0 0 249.285 2.847 20 10 BFCDRN CC(C)[C@@H](F)C(=O)N[C@@H](C)c1ccccc1O ZINC000827969728 645090130 /nfs/dbraw/zinc/09/01/30/645090130.db2.gz QZNGYRRIGLPRKE-JOYOIKCWSA-N 0 0 239.290 2.564 20 10 BFCDRN CC(C)[C@H](F)C(=O)N[C@@H](C)c1ccccc1O ZINC000827969725 645090237 /nfs/dbraw/zinc/09/02/37/645090237.db2.gz QZNGYRRIGLPRKE-CABZTGNLSA-N 0 0 239.290 2.564 20 10 BFCDRN COc1ccc(N(C)CC[C@@H](C)O)cc1Cl ZINC000828040420 645092107 /nfs/dbraw/zinc/09/21/07/645092107.db2.gz HISHTVPXFKMSGO-SECBINFHSA-N 0 0 243.734 2.556 20 10 BFCDRN Nc1ccc(CNC(=O)C[C@H]2CC=CCC2)cc1 ZINC000927767579 645652396 /nfs/dbraw/zinc/65/23/96/645652396.db2.gz HCGFBQDVAHBIHV-LBPRGKRZSA-N 0 0 244.338 2.631 20 10 BFCDRN COc1ccc2c(c1)CCCN2CCOC1CC1 ZINC000929236256 646028211 /nfs/dbraw/zinc/02/82/11/646028211.db2.gz HUTIDPQVXJEIHY-UHFFFAOYSA-N 0 0 247.338 2.627 20 10 BFCDRN CS[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000164636350 711682593 /nfs/dbraw/zinc/68/25/93/711682593.db2.gz QMIVGPYKHKABKZ-RKDXNWHRSA-N 0 0 243.347 2.933 20 10 BFCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCCCC1 ZINC000708399239 711956527 /nfs/dbraw/zinc/95/65/27/711956527.db2.gz KJMAFXRKQKGXAA-UHFFFAOYSA-N 0 0 227.254 2.656 20 10 BFCDRN CCCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703297138 712071013 /nfs/dbraw/zinc/07/10/13/712071013.db2.gz ZPYUOKHUCIOAOX-UHFFFAOYSA-N 0 0 229.270 2.950 20 10 BFCDRN CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703339544 712072844 /nfs/dbraw/zinc/07/28/44/712072844.db2.gz DEDLWCMHXZVHKF-SCZZXKLOSA-N 0 0 241.281 2.806 20 10 BFCDRN CC1(C)CC([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708442642 712194989 /nfs/dbraw/zinc/19/49/89/712194989.db2.gz NWOBXAVTHRBCPD-UHFFFAOYSA-N 0 0 241.281 2.949 20 10 BFCDRN C/C=C/C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000384906439 712704551 /nfs/dbraw/zinc/70/45/51/712704551.db2.gz PBLRPOPICRXGQS-CDAZIORVSA-N 0 0 209.264 2.758 20 10 BFCDRN CC(C)OCCCN(C)c1ccc(N)cc1 ZINC000383546882 710982914 /nfs/dbraw/zinc/98/29/14/710982914.db2.gz NAPJVLCDINDKMB-UHFFFAOYSA-N 0 0 222.332 2.520 20 10 BFCDRN CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000388804979 711067422 /nfs/dbraw/zinc/06/74/22/711067422.db2.gz OFGADJXAIGOJCC-ZWNOBZJWSA-N 0 0 247.342 2.969 20 10 BFCDRN COc1ccc(O)c([C@H](C)N[C@@H](C)C(F)F)c1 ZINC000389916364 711097569 /nfs/dbraw/zinc/09/75/69/711097569.db2.gz NDUKYIULPLVVJQ-YUMQZZPRSA-N 0 0 245.269 2.705 20 10 BFCDRN CCOc1cccc(CN[C@@H](C)C(F)F)c1O ZINC000389922289 711098440 /nfs/dbraw/zinc/09/84/40/711098440.db2.gz SFGIVGJLWBHDGR-QMMMGPOBSA-N 0 0 245.269 2.534 20 10 BFCDRN Oc1ccccc1CN[C@H]1CCCC1(F)F ZINC000390781846 711134926 /nfs/dbraw/zinc/13/49/26/711134926.db2.gz KPXCHXIYQJZXMM-NSHDSACASA-N 0 0 227.254 2.670 20 10 BFCDRN C[C@H](CCC1CC1)NC(=O)Nc1ccc(N)cc1 ZINC000398074049 711400977 /nfs/dbraw/zinc/40/09/77/711400977.db2.gz KFIKNMPCXIGAED-SNVBAGLBSA-N 0 0 247.342 2.969 20 10 BFCDRN Oc1ccc(F)cc1CN[C@@H]1CCCC1(F)F ZINC000398145478 711403572 /nfs/dbraw/zinc/40/35/72/711403572.db2.gz XJXYMCPBCBRILD-LLVKDONJSA-N 0 0 245.244 2.809 20 10 BFCDRN CC[C@H]1[C@H](C)CCN1C(=O)Nc1ccc(N)cc1 ZINC000384087630 710601648 /nfs/dbraw/zinc/60/16/48/710601648.db2.gz FVPGOBUPOIQVPB-MFKMUULPSA-N 0 0 247.342 2.921 20 10 BFCDRN C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(F)cc1[O-] ZINC000397731588 711390691 /nfs/dbraw/zinc/39/06/91/711390691.db2.gz DKHNSIGKSAHHQF-MWGHHZFTSA-N 0 0 235.302 2.980 20 10 BFCDRN C[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N)cc2)C1 ZINC000383255082 711490761 /nfs/dbraw/zinc/49/07/61/711490761.db2.gz WVUHYJWUAPFQDN-DGCLKSJQSA-N 0 0 246.354 2.711 20 10 BFCDRN Cc1nc(CN[C@H](C)c2ccccc2O)oc1C ZINC000223661742 711754571 /nfs/dbraw/zinc/75/45/71/711754571.db2.gz SNFGKDADGATHMP-SNVBAGLBSA-N 0 0 246.310 2.848 20 10 BFCDRN COc1ccc(CNC2(C(F)F)CC2)cc1C ZINC000700094838 711986149 /nfs/dbraw/zinc/98/61/49/711986149.db2.gz BMLHTEDQXVOOME-UHFFFAOYSA-N 0 0 241.281 2.891 20 10 BFCDRN Cc1nc(CN(C)c2ccc(N)cc2)oc1C ZINC000702048451 712037679 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235.327 2.835 20 10 BFCDRN CC[C@H](C)[C@H](C)C(=O)NCc1ccccc1O ZINC000272479332 171384806 /nfs/dbraw/zinc/38/48/06/171384806.db2.gz FQINWYJMNZREIJ-QWRGUYRKSA-N 0 0 235.327 2.691 20 10 BFCDRN CCc1nn(C)cc1N[C@H](C)c1ccccc1O ZINC000228808170 172043862 /nfs/dbraw/zinc/04/38/62/172043862.db2.gz KLCQYXJHCGYTBN-SNVBAGLBSA-N 0 0 245.326 2.861 20 10 BFCDRN CCn1cc(NCc2cc(C)ccc2O)cn1 ZINC000071407053 172185566 /nfs/dbraw/zinc/18/55/66/172185566.db2.gz XPNSBXLNVDTXPW-UHFFFAOYSA-N 0 0 231.299 2.529 20 10 BFCDRN CCn1cc(N[C@@H](C)c2ccc(F)cc2O)cn1 ZINC000062745856 172186781 /nfs/dbraw/zinc/18/67/81/172186781.db2.gz LCWUIKMOIXFLIV-VIFPVBQESA-N 0 0 249.289 2.921 20 10 BFCDRN CN(C(=O)C1CCCCC1)c1ccc(N)cc1 ZINC000034939061 172299379 /nfs/dbraw/zinc/29/93/79/172299379.db2.gz PMMBYZQXIMXBKP-UHFFFAOYSA-N 0 0 232.327 2.812 20 10 BFCDRN CN(C(=O)CC(C)(C)C)c1ccc(N)cc1 ZINC000026514755 172300806 /nfs/dbraw/zinc/30/08/06/172300806.db2.gz SWXWFWFALTYFAU-UHFFFAOYSA-N 0 0 220.316 2.668 20 10 BFCDRN CN(Cc1ccccc1O)C(=O)C1=CCCCC1 ZINC000276345479 172876518 /nfs/dbraw/zinc/87/65/18/172876518.db2.gz ZEJPUMLWAAGSLK-UHFFFAOYSA-N 0 0 245.322 2.851 20 10 BFCDRN CN(Cc1cncs1)c1ccc2c(c1)OCO2 ZINC000180760263 172916805 /nfs/dbraw/zinc/91/68/05/172916805.db2.gz PFOVLVDCNXFWCP-UHFFFAOYSA-N 0 0 248.307 2.508 20 10 BFCDRN COCCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062748338 174204028 /nfs/dbraw/zinc/20/40/28/174204028.db2.gz PFOITGUFFAEGOX-SNVBAGLBSA-N 0 0 241.306 2.609 20 10 BFCDRN C[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000165409772 176101576 /nfs/dbraw/zinc/10/15/76/176101576.db2.gz CXLVRFROGRWHLK-SNVBAGLBSA-N 0 0 223.291 2.763 20 10 BFCDRN C[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000035408191 176121798 /nfs/dbraw/zinc/12/17/98/176121798.db2.gz YQXOMJWJMBKUDV-ZWNOBZJWSA-N 0 0 247.342 2.969 20 10 BFCDRN C[C@H]1CCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000165415763 177110653 /nfs/dbraw/zinc/11/06/53/177110653.db2.gz LCWDUJFBTNUFBT-VIFPVBQESA-N 0 0 209.264 2.516 20 10 BFCDRN C[C@H]1CC[C@H](CC(=O)NCc2ccccc2O)C1 ZINC000268230408 177200339 /nfs/dbraw/zinc/20/03/39/177200339.db2.gz ALXCPKXMGBZOBW-RYUDHWBXSA-N 0 0 247.338 2.835 20 10 BFCDRN COC[C@H](C)Sc1ncc(Cl)s1 ZINC000850000493 588513390 /nfs/dbraw/zinc/51/33/90/588513390.db2.gz WXCPVCZQEWTRGI-YFKPBYRVSA-N 0 0 223.750 2.924 20 10 BFCDRN Nc1ccc(Cc2noc([C@H]3CC34CC4)n2)cc1 ZINC000843159747 582599853 /nfs/dbraw/zinc/59/98/53/582599853.db2.gz AQMGYOBVLBGUBK-LLVKDONJSA-N 0 0 241.294 2.510 20 10 BFCDRN CC[C@@](C)(NC(=O)C1=CC(=O)CS1)C1CC1 ZINC000855878082 588852531 /nfs/dbraw/zinc/85/25/31/588852531.db2.gz WMGUETSLEAKARW-GFCCVEGCSA-N 0 0 239.340 2.762 20 10 BFCDRN CC[N@@H+](Cc1cc(F)cc(F)c1[O-])CC1CC1 ZINC000894021404 583274956 /nfs/dbraw/zinc/27/49/56/583274956.db2.gz SHVVLNGYAOWNFD-UHFFFAOYSA-N 0 0 241.281 2.902 20 10 BFCDRN [O-]c1c(C[N@@H+]2CC[C@H]3C[C@H]3C2)ccc(F)c1F ZINC000877635552 583340570 /nfs/dbraw/zinc/34/05/70/583340570.db2.gz WEJWIPYRRIOGLS-WPRPVWTQSA-N 0 0 239.265 2.512 20 10 BFCDRN CC(C)C1C[NH+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000894597970 583493724 /nfs/dbraw/zinc/49/37/24/583493724.db2.gz URPIMRYZDKSVEF-UHFFFAOYSA-N 0 0 241.281 2.758 20 10 BFCDRN C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])[C@H]1C ZINC000894862460 583537059 /nfs/dbraw/zinc/53/70/59/583537059.db2.gz YUIKOGASBYUDDJ-YUMQZZPRSA-N 0 0 227.254 2.511 20 10 BFCDRN C[C@@H](NCC(F)(F)F)c1ccccc1O ZINC000019436055 583605327 /nfs/dbraw/zinc/60/53/27/583605327.db2.gz HNSYHADYUTZYIK-SSDOTTSWSA-N 0 0 219.206 2.605 20 10 BFCDRN CCc1cccc(CN2CC(OC(C)C)C2)c1O ZINC000895955910 583752813 /nfs/dbraw/zinc/75/28/13/583752813.db2.gz XSVWZKRKXOEXFO-UHFFFAOYSA-N 0 0 249.354 2.564 20 10 BFCDRN C[C@@H]1CCC[C@@H]1[NH2+]Cc1c([O-])cccc1F ZINC000896636935 583818962 /nfs/dbraw/zinc/81/89/62/583818962.db2.gz JFODGXKTMNPEJN-SKDRFNHKSA-N 0 0 223.291 2.810 20 10 BFCDRN C[C@H]([NH2+]Cc1c([O-])cccc1F)C1CCC1 ZINC000896637206 583819329 /nfs/dbraw/zinc/81/93/29/583819329.db2.gz KROFWRPFJKPNQO-VIFPVBQESA-N 0 0 223.291 2.810 20 10 BFCDRN 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ZINC000877634324 590379760 /nfs/dbraw/zinc/37/97/60/590379760.db2.gz MTMZEOREZVZJMN-GDGBQDQQSA-N 0 0 239.265 2.559 20 10 BFCDRN [O-]c1c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)ccc(F)c1F ZINC000877634321 590380037 /nfs/dbraw/zinc/38/00/37/590380037.db2.gz MTMZEOREZVZJMN-BZBKMWRSSA-N 0 0 239.265 2.559 20 10 BFCDRN CCC[C@H](C[N@@H+]1Cc2cccc(O)c2C1)OC ZINC000877702898 590396495 /nfs/dbraw/zinc/39/64/95/590396495.db2.gz JHDPVRZFTJWJNN-GFCCVEGCSA-N 0 0 235.327 2.523 20 10 BFCDRN CC1(C)C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000877718072 590400073 /nfs/dbraw/zinc/40/00/73/590400073.db2.gz WLXBGAGPRNNWTM-UHFFFAOYSA-N 0 0 225.719 2.887 20 10 BFCDRN CCOc1ccc(N(C)C[C@H]2C[C@@H](OC)C2)cc1 ZINC000878125087 590502035 /nfs/dbraw/zinc/50/20/35/590502035.db2.gz MNYLYLBEKKGQFI-JNSHFYNHSA-N 0 0 249.354 2.947 20 10 BFCDRN COc1ccc(N(CC(C)=O)CC2CC2)cc1 ZINC000878675302 590607996 /nfs/dbraw/zinc/60/79/96/590607996.db2.gz OBILWXDIIVTSPD-UHFFFAOYSA-N 0 0 233.311 2.501 20 10 BFCDRN CC1(C)C[C@]1(C)CNC(=O)C1=CC(=O)CS1 ZINC000881540525 591233875 /nfs/dbraw/zinc/23/38/75/591233875.db2.gz JUYOKPCHILDFJI-GFCCVEGCSA-N 0 0 239.340 2.620 20 10 BFCDRN C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C[C@H]1C ZINC000130266315 591453205 /nfs/dbraw/zinc/45/32/05/591453205.db2.gz RKXSNFHDSQXVGG-WDEREUQCSA-N 0 0 247.342 2.779 20 10 BFCDRN Cc1ncc(COc2ccc(N(C)C)cc2)o1 ZINC000882988872 591496231 /nfs/dbraw/zinc/49/62/31/591496231.db2.gz LIECHDBJTAUXMY-UHFFFAOYSA-N 0 0 232.283 2.628 20 10 BFCDRN COc1ccc(N(C)Cc2ccncc2)cc1F ZINC000131430593 591607575 /nfs/dbraw/zinc/60/75/75/591607575.db2.gz VQKWIOHBEVEQLJ-UHFFFAOYSA-N 0 0 246.285 2.866 20 10 BFCDRN C[C@@H](NCc1ccc(N(C)C)c(F)c1)C(F)F ZINC000883407328 591651639 /nfs/dbraw/zinc/65/16/39/591651639.db2.gz RTZSIROTQJWSGY-MRVPVSSYSA-N 0 0 246.276 2.635 20 10 BFCDRN Oc1cccc(Cl)c1CNc1nncs1 ZINC000134422791 591926320 /nfs/dbraw/zinc/92/63/20/591926320.db2.gz NIYBPPOTUGLJLX-UHFFFAOYSA-N 0 0 241.703 2.509 20 10 BFCDRN Oc1ccccc1CNc1ccc(F)nc1 ZINC000134538305 591935109 /nfs/dbraw/zinc/93/51/09/591935109.db2.gz ILRKCCBFMCYWRD-UHFFFAOYSA-N 0 0 218.231 2.538 20 10 BFCDRN COc1ccc(N(C)C[C@H]2C[C@@]23CCOC3)cc1 ZINC000886267775 592191238 /nfs/dbraw/zinc/19/12/38/592191238.db2.gz UXPUQOMRHKYZSV-IUODEOHRSA-N 0 0 247.338 2.558 20 10 BFCDRN CSCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886489900 592235487 /nfs/dbraw/zinc/23/54/87/592235487.db2.gz UOBWXPDWLWZSAW-MRVPVSSYSA-N 0 0 229.320 2.545 20 10 BFCDRN C[C@@H]([NH2+]CC1CC1)c1c([O-])cccc1F ZINC000886500098 592237885 /nfs/dbraw/zinc/23/78/85/592237885.db2.gz FTKQGIUAONXZMX-MRVPVSSYSA-N 0 0 209.264 2.592 20 10 BFCDRN CO[C@@H](C)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886521168 592244005 /nfs/dbraw/zinc/24/40/05/592244005.db2.gz WDTCXVFWIFGHEA-UWVGGRQHSA-N 0 0 241.306 2.607 20 10 BFCDRN C[C@@H]([NH2+]CCC1CC1)c1c([O-])cccc1F ZINC000886549930 592256878 /nfs/dbraw/zinc/25/68/78/592256878.db2.gz PPIKUIIEXBVJSP-SECBINFHSA-N 0 0 223.291 2.982 20 10 BFCDRN C[C@H]([NH2+]CCC1CC1)c1c([O-])cccc1F ZINC000886549931 592257024 /nfs/dbraw/zinc/25/70/24/592257024.db2.gz PPIKUIIEXBVJSP-VIFPVBQESA-N 0 0 223.291 2.982 20 10 BFCDRN C[C@H]([NH2+]C1CCC1)c1c([O-])cccc1F ZINC000886545985 592257036 /nfs/dbraw/zinc/25/70/36/592257036.db2.gz WHOSALVCVIILQV-QMMMGPOBSA-N 0 0 209.264 2.734 20 10 BFCDRN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886596927 592272052 /nfs/dbraw/zinc/27/20/52/592272052.db2.gz RTFGHYPNYJVYKC-IVZWLZJFSA-N 0 0 241.306 2.605 20 10 BFCDRN C[C@@H]([NH2+]CC[C@H](C)F)c1c([O-])cccc1F ZINC000886616183 592275909 /nfs/dbraw/zinc/27/59/09/592275909.db2.gz WLJUWIXQNTUOFI-DTWKUNHWSA-N 0 0 229.270 2.930 20 10 BFCDRN CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886612698 592276023 /nfs/dbraw/zinc/27/60/23/592276023.db2.gz RTFGHYPNYJVYKC-KXUCPTDWSA-N 0 0 241.306 2.605 20 10 BFCDRN CC[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)OC ZINC000886612126 592276049 /nfs/dbraw/zinc/27/60/49/592276049.db2.gz CKCNQAQEPDZNPA-VHSXEESVSA-N 0 0 241.306 2.607 20 10 BFCDRN CCc1cnc(CN[C@@H](C)c2ccccc2O)o1 ZINC000223661517 592537399 /nfs/dbraw/zinc/53/73/99/592537399.db2.gz HNCUAJAWPQKIQY-JTQLQIEISA-N 0 0 246.310 2.793 20 10 BFCDRN CC1(C)CC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000310221679 635420509 /nfs/dbraw/zinc/42/05/09/635420509.db2.gz XFJBHOADCXODTM-LLVKDONJSA-N 0 0 233.315 2.579 20 10 BFCDRN Cc1cccc(C=C2SC(=S)NC2=O)c1C ZINC000255442014 631712688 /nfs/dbraw/zinc/71/26/88/631712688.db2.gz ZGYDPSVVIAGGJP-UXBLZVDNSA-N 0 0 249.360 2.792 20 10 BFCDRN CC(C)n1cc(NCc2cccc(F)c2O)cn1 ZINC000158762154 632484772 /nfs/dbraw/zinc/48/47/72/632484772.db2.gz HTHUNGKLPZGKHD-UHFFFAOYSA-N 0 0 249.289 2.921 20 10 BFCDRN COC(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000168823136 633150420 /nfs/dbraw/zinc/15/04/20/633150420.db2.gz MJCAYYFWGSQMGD-VIFPVBQESA-N 0 0 241.306 2.607 20 10 BFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1CC=CC1 ZINC000309515254 633186489 /nfs/dbraw/zinc/18/64/89/633186489.db2.gz RFZCJEQMQJWTPD-UHFFFAOYSA-N 0 0 241.693 2.993 20 10 BFCDRN COCC(C)(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162573285 634207783 /nfs/dbraw/zinc/20/77/83/634207783.db2.gz VZSNXWVIUFCDTM-UHFFFAOYSA-N 0 0 243.734 2.560 20 10 BFCDRN CCC1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000042447500 637256520 /nfs/dbraw/zinc/25/65/20/637256520.db2.gz VQJUXNWGPZFSHI-UHFFFAOYSA-N 0 0 247.342 2.923 20 10 BFCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000911659595 639693347 /nfs/dbraw/zinc/69/33/47/639693347.db2.gz DFOPRTSOBQAVSJ-BIAAXOCRSA-N 0 0 244.338 2.890 20 10 BFCDRN COc1ccc(N(C)CCc2ccns2)cc1 ZINC000930842441 639940513 /nfs/dbraw/zinc/94/05/13/639940513.db2.gz YIMKSRWAICXEQU-UHFFFAOYSA-N 0 0 248.351 2.831 20 10 BFCDRN [O-]c1c(F)cccc1C[NH+]1CCCCC1 ZINC000165410430 640570604 /nfs/dbraw/zinc/57/06/04/640570604.db2.gz ABBYANBOWGLQOG-UHFFFAOYSA-N 0 0 209.264 2.517 20 10 BFCDRN CC[C@@H](C)C(=O)CSc1nccs1 ZINC000087537358 640912902 /nfs/dbraw/zinc/91/29/02/640912902.db2.gz YEIDAMFFAHSDSC-SSDOTTSWSA-N 0 0 215.343 2.850 20 10 BFCDRN C[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000230690118 641087866 /nfs/dbraw/zinc/08/78/66/641087866.db2.gz DOGMXABTKQUHBK-MNOVXSKESA-N 0 0 247.342 2.827 20 10 BFCDRN CN(Cc1ccccc1O)C(=O)CCC1(C)CC1 ZINC000934705115 641252102 /nfs/dbraw/zinc/25/21/02/641252102.db2.gz QEEHMMYAZKTULW-UHFFFAOYSA-N 0 0 247.338 2.931 20 10 BFCDRN O=C(C[C@@H]1CC=CCC1)NCc1ccccc1O ZINC000934935869 641306430 /nfs/dbraw/zinc/30/64/30/641306430.db2.gz NACCIJVWSMAYJZ-GFCCVEGCSA-N 0 0 245.322 2.755 20 10 BFCDRN COC[C@H](C)CN(C)c1ccc(OC)c(F)c1 ZINC000188341314 641755550 /nfs/dbraw/zinc/75/55/50/641755550.db2.gz FNXLJBAHQWLMII-SNVBAGLBSA-N 0 0 241.306 2.553 20 10 BFCDRN CC1(C)CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000733002872 641884811 /nfs/dbraw/zinc/88/48/11/641884811.db2.gz LFMJBWBGXGSGQF-UHFFFAOYSA-N 0 0 239.340 2.716 20 10 BFCDRN CC[C@@H](C)[C@@H](Sc1nccs1)C(=O)OC ZINC000916759098 641975746 /nfs/dbraw/zinc/97/57/46/641975746.db2.gz DIWUDAQAZBSVRJ-HTQZYQBOSA-N 0 0 245.369 2.823 20 10 BFCDRN CC(C)CC(=O)OCSc1nccs1 ZINC000916759509 641975838 /nfs/dbraw/zinc/97/58/38/641975838.db2.gz 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CC1(C)CC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000289753880 346341481 /nfs/dbraw/zinc/34/14/81/346341481.db2.gz JICPQOYRBWIKDR-NSHDSACASA-N 0 0 223.291 2.810 20 10 BFCDRN Cc1cccc(N(C)Cc2ccccc2O)n1 ZINC000302674503 179118620 /nfs/dbraw/zinc/11/86/20/179118620.db2.gz TXBAUTURCJUPDT-UHFFFAOYSA-N 0 0 228.295 2.732 20 10 BFCDRN Cc1nc([C@H](C)Sc2nccs2)no1 ZINC000278600952 180052601 /nfs/dbraw/zinc/05/26/01/180052601.db2.gz QSMIBGJGQXBUAM-YFKPBYRVSA-N 0 0 227.314 2.688 20 10 BFCDRN O=C(CC1CCCC1)NCc1ccccc1O ZINC000133785936 191106781 /nfs/dbraw/zinc/10/67/81/191106781.db2.gz PJQZHODTTSHEQR-UHFFFAOYSA-N 0 0 233.311 2.589 20 10 BFCDRN CC[N@H+](Cc1cccc(F)c1[O-])C1CC1 ZINC000272325803 351468674 /nfs/dbraw/zinc/46/86/74/351468674.db2.gz VGYYQQMBZLHMFK-UHFFFAOYSA-N 0 0 209.264 2.516 20 10 BFCDRN CCCC[C@@H](C)C(=O)NCc1ccccc1O ZINC000282548500 351935185 /nfs/dbraw/zinc/93/51/85/351935185.db2.gz RPVKJVPFLNOVBW-LLVKDONJSA-N 0 0 235.327 2.835 20 10 BFCDRN CCN(Cc1cnns1)c1ccc(OC)cc1 ZINC000295725566 352422082 /nfs/dbraw/zinc/42/20/82/352422082.db2.gz VAYMSKQLCXQAQQ-UHFFFAOYSA-N 0 0 249.339 2.573 20 10 BFCDRN CC1(C)SC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296619790 188097336 /nfs/dbraw/zinc/09/73/36/188097336.db2.gz ZBJINAGPKRWJPR-PWSUYJOCSA-N 0 0 249.379 2.863 20 10 BFCDRN Cc1ccc(O)c(CNc2nnc(C(C)C)o2)c1 ZINC000181620729 188168111 /nfs/dbraw/zinc/16/81/11/188168111.db2.gz BIDBIMDKDHOCRD-UHFFFAOYSA-N 0 0 247.298 2.819 20 10 BFCDRN CC(C)C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191180335 355337662 /nfs/dbraw/zinc/33/76/62/355337662.db2.gz LJGYSGPZVMTFJH-MRVPVSSYSA-N 0 0 229.270 2.977 20 10 BFCDRN CCCCN(Cc1ccccc1O)C(C)=O ZINC000282591050 168821583 /nfs/dbraw/zinc/82/15/83/168821583.db2.gz WYVCOKZIFKVYQU-UHFFFAOYSA-N 0 0 221.300 2.541 20 10 BFCDRN O=C(NCc1ccccc1O)C1=CCCCC1 ZINC000276154830 182258436 /nfs/dbraw/zinc/25/84/36/182258436.db2.gz FIBDXWZTOZPTGK-UHFFFAOYSA-N 0 0 231.295 2.509 20 10 BFCDRN CCCC[C@H](C)C(=O)NCc1ccc(N)cc1 ZINC000297266471 168982493 /nfs/dbraw/zinc/98/24/93/168982493.db2.gz SEGBDSGGBDSXFZ-NSHDSACASA-N 0 0 234.343 2.711 20 10 BFCDRN CCCN(Cc1ccccc1O)C(=O)CC ZINC000299698175 169177950 /nfs/dbraw/zinc/17/79/50/169177950.db2.gz YTNTZCJTZBYHOR-UHFFFAOYSA-N 0 0 221.300 2.541 20 10 BFCDRN CCC[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000248264585 169351595 /nfs/dbraw/zinc/35/15/95/169351595.db2.gz NQJWXSIAQPZZAX-GFCCVEGCSA-N 0 0 248.370 2.805 20 10 BFCDRN CCC[C@@H](C)CC(=O)NCCc1ccc(N)cc1 ZINC000236851864 169355818 /nfs/dbraw/zinc/35/58/18/169355818.db2.gz FLPMYANFSARVQN-GFCCVEGCSA-N 0 0 248.370 2.754 20 10 BFCDRN CCC[C@H](CC)NC(=O)Cc1ccc(N)cc1 ZINC000050398882 169496310 /nfs/dbraw/zinc/49/63/10/169496310.db2.gz PXSLLQZJXDZACD-ZDUSSCGKSA-N 0 0 234.343 2.506 20 10 BFCDRN CCCC[N@H+](C)Cc1cc(C)ccc1O ZINC000132424219 384189478 /nfs/dbraw/zinc/18/94/78/384189478.db2.gz HBUPYWAGCSTGSG-UHFFFAOYSA-N 0 0 207.317 2.933 20 10 BFCDRN Cc1ccc(O)c(CN(C)Cc2cscn2)c1 ZINC000120253864 384341810 /nfs/dbraw/zinc/34/18/10/384341810.db2.gz WGOMVZDRYXYIAY-UHFFFAOYSA-N 0 0 248.351 2.789 20 10 BFCDRN CCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000049740422 384561802 /nfs/dbraw/zinc/56/18/02/384561802.db2.gz QLOGWKKQGWLRGZ-UHFFFAOYSA-N 0 0 246.354 2.703 20 10 BFCDRN CC1(C)C(C(=O)NCc2ccccc2O)C1(C)C ZINC000080660183 384572547 /nfs/dbraw/zinc/57/25/47/384572547.db2.gz SRTQIFGYCYHSGW-UHFFFAOYSA-N 0 0 247.338 2.691 20 10 BFCDRN CCC1([NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000294756447 385181507 /nfs/dbraw/zinc/18/15/07/385181507.db2.gz ISFRMUYWOISQKQ-UHFFFAOYSA-N 0 0 209.264 2.564 20 10 BFCDRN CCCC(C)(C)NC(=O)Cc1ccc(N)cc1 ZINC000154357292 385320207 /nfs/dbraw/zinc/32/02/07/385320207.db2.gz CMTBXZQMZVLZBB-UHFFFAOYSA-N 0 0 234.343 2.506 20 10 BFCDRN Cc1ccc(O)c(CNc2nnc(C3CC3)o2)c1 ZINC000181514299 385581404 /nfs/dbraw/zinc/58/14/04/385581404.db2.gz CARYGZQWCFORAT-UHFFFAOYSA-N 0 0 245.282 2.573 20 10 BFCDRN COC(=O)c1cnc(SCCCCF)s1 ZINC000295283244 386005689 /nfs/dbraw/zinc/00/56/89/386005689.db2.gz KUEPBHBFBLBEBN-UHFFFAOYSA-N 0 0 249.332 2.772 20 10 BFCDRN CCC[C@H](C)CC(=O)NCc1ccc(N)cc1 ZINC000297129479 386228398 /nfs/dbraw/zinc/22/83/98/386228398.db2.gz HEVQNGDNPWVAAC-NSHDSACASA-N 0 0 234.343 2.711 20 10 BFCDRN CCC[C@H](C(=O)NCc1ccc(N)cc1)C(C)C ZINC000297266622 386239018 /nfs/dbraw/zinc/23/90/18/386239018.db2.gz SEZIKGKPZILPNI-AWEZNQCLSA-N 0 0 248.370 2.957 20 10 BFCDRN CC(=O)C(=O)CSc1ccc(C)c(C)c1 ZINC000289522296 386324597 /nfs/dbraw/zinc/32/45/97/386324597.db2.gz DGDMJQKKCYTJDA-UHFFFAOYSA-N 0 0 222.309 2.554 20 10 BFCDRN CCN(CC)c1ccc(CNc2nnco2)cc1 ZINC000276481222 386331174 /nfs/dbraw/zinc/33/11/74/386331174.db2.gz SCOOBCZIXYXGIT-UHFFFAOYSA-N 0 0 246.314 2.528 20 10 BFCDRN C[C@H]([NH2+]C1CC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000277127832 386412144 /nfs/dbraw/zinc/41/21/44/386412144.db2.gz OECYLOAPEPTQKK-ZETCQYMHSA-N 0 0 245.244 2.980 20 10 BFCDRN CN(C)c1ccc(CNC(=O)C2(C)CCC2)cc1 ZINC000267346230 386529516 /nfs/dbraw/zinc/52/95/16/386529516.db2.gz IRBKJPLTVHAFES-UHFFFAOYSA-N 0 0 246.354 2.559 20 10 BFCDRN C[N@@H+](Cc1ccccc1O)C[C@H]1CCSC1 ZINC000278368860 386518306 /nfs/dbraw/zinc/51/83/06/386518306.db2.gz BPNYWJJCNVAIQH-LLVKDONJSA-N 0 0 237.368 2.577 20 10 BFCDRN C[C@H]([NH2+]C1CCC1)c1ccc(F)cc1[O-] ZINC000062748455 386606095 /nfs/dbraw/zinc/60/60/95/386606095.db2.gz UAYCEBLIDFJZTQ-QMMMGPOBSA-N 0 0 209.264 2.734 20 10 BFCDRN COC(=O)c1cnc(SCC=C(C)C)s1 ZINC000295166440 386692473 /nfs/dbraw/zinc/69/24/73/386692473.db2.gz HTOMRCZHWBMXMX-UHFFFAOYSA-N 0 0 243.353 2.988 20 10 BFCDRN CS[C@@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000163995240 388122286 /nfs/dbraw/zinc/12/22/86/388122286.db2.gz JKZQAHIKOOXADD-UWVGGRQHSA-N 0 0 225.357 2.794 20 10 BFCDRN O=C(NCc1ccccc1O)[C@H]1CCCC12CC2 ZINC000528853315 388579571 /nfs/dbraw/zinc/57/95/71/388579571.db2.gz DTDCOEUMHCSPIS-GFCCVEGCSA-N 0 0 245.322 2.589 20 10 BFCDRN CC(C)[C@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000184312757 167497319 /nfs/dbraw/zinc/49/73/19/167497319.db2.gz JSUGYEPXEOVTSR-OLZOCXBDSA-N 0 0 247.338 2.643 20 10 BFCDRN CC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000165409126 168184029 /nfs/dbraw/zinc/18/40/29/168184029.db2.gz QMTVCYSKGVSKIF-UHFFFAOYSA-N 0 0 223.291 2.763 20 10 BFCDRN CCC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000052851224 168212239 /nfs/dbraw/zinc/21/22/39/168212239.db2.gz KODYQAFITHDWDM-UHFFFAOYSA-N 0 0 234.343 2.511 20 10 BFCDRN CCC(C)(C)C(=O)N(C)c1ccc(N)cc1 ZINC000054401497 168262547 /nfs/dbraw/zinc/26/25/47/168262547.db2.gz MEXCKKJKEXVLRH-UHFFFAOYSA-N 0 0 220.316 2.668 20 10 BFCDRN CCOCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062744933 170383488 /nfs/dbraw/zinc/38/34/88/170383488.db2.gz YFOLGSDKEIDVBV-SNVBAGLBSA-N 0 0 241.306 2.609 20 10 BFCDRN CC[C@@H](C)[C@@H](C)C(=O)NCc1ccc(N)cc1 ZINC000297143154 170768936 /nfs/dbraw/zinc/76/89/36/170768936.db2.gz IHUBNNANPHNABI-GHMZBOCLSA-N 0 0 234.343 2.567 20 10 BFCDRN CC[C@@H](C)[C@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000042559643 170789286 /nfs/dbraw/zinc/78/92/86/170789286.db2.gz WZBSOKFTVDDZRT-ZJUUUORDSA-N 0 0 235.331 2.825 20 10 BFCDRN C[C@@H]1CCC[C@@H]1CC(=O)NCc1ccccc1O ZINC000274539534 176126939 /nfs/dbraw/zinc/12/69/39/176126939.db2.gz KMCGHBMCYOIJNS-VXGBXAGGSA-N 0 0 247.338 2.835 20 10 BFCDRN C[C@@H]1CCC[C@H]1CC(=O)NCc1ccccc1O ZINC000274539528 176147324 /nfs/dbraw/zinc/14/73/24/176147324.db2.gz KMCGHBMCYOIJNS-NEPJUHHUSA-N 0 0 247.338 2.835 20 10 BFCDRN C[C@H](Sc1nccs1)C(=O)C1CC1 ZINC000280951091 177029732 /nfs/dbraw/zinc/02/97/32/177029732.db2.gz JBRGZYLUMQOJMB-LURJTMIESA-N 0 0 213.327 2.603 20 10 BFCDRN C[C@H]1CC/C(=C\C(=O)Nc2ccc(N)cc2)C1 ZINC000269120122 177066833 /nfs/dbraw/zinc/06/68/33/177066833.db2.gz JKTVJIQMRKPXMW-SPQRFVMMSA-N 0 0 230.311 2.954 20 10 BFCDRN C[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000165409893 177101484 /nfs/dbraw/zinc/10/14/84/177101484.db2.gz CXLVRFROGRWHLK-JTQLQIEISA-N 0 0 223.291 2.763 20 10 BFCDRN O=C1CC[C@H](CSc2ncc(Cl)s2)O1 ZINC000850000339 582874697 /nfs/dbraw/zinc/87/46/97/582874697.db2.gz QXGCJTXOQWQAQK-RXMQYKEDSA-N 0 0 249.744 2.594 20 10 BFCDRN Cc1cccc(CN2CC[C@@H]2C(F)F)c1O ZINC000895431309 583670153 /nfs/dbraw/zinc/67/01/53/583670153.db2.gz LQHTXRDQIBJXJI-SNVBAGLBSA-N 0 0 227.254 2.540 20 10 BFCDRN Cc1ccc(O)c(CN2CC[C@H]2C(F)F)c1 ZINC000895430731 583670172 /nfs/dbraw/zinc/67/01/72/583670172.db2.gz HGKAONJYCBYZPY-JTQLQIEISA-N 0 0 227.254 2.540 20 10 BFCDRN [O-]c1cccc(F)c1C[NH2+][C@@H]1CCC12CCC2 ZINC000896637223 583819136 /nfs/dbraw/zinc/81/91/36/583819136.db2.gz JAFQWTMKPPYHLF-CYBMUJFWSA-N 0 0 235.302 2.954 20 10 BFCDRN C[C@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2F)C1 ZINC000896637892 583819888 /nfs/dbraw/zinc/81/98/88/583819888.db2.gz QNUKMQMQNATJMX-UWVGGRQHSA-N 0 0 223.291 2.810 20 10 BFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)CS1 ZINC000896638985 583820032 /nfs/dbraw/zinc/82/00/32/583820032.db2.gz SIHGQNXJFKMIEZ-RKDXNWHRSA-N 0 0 241.331 2.515 20 10 BFCDRN CN(C)c1ccc(OCc2ccccn2)cc1 ZINC000143098050 583848765 /nfs/dbraw/zinc/84/87/65/583848765.db2.gz JZECEZFDLMXKDD-UHFFFAOYSA-N 0 0 228.295 2.727 20 10 BFCDRN C/C=C\C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000858291027 588942427 /nfs/dbraw/zinc/94/24/27/588942427.db2.gz MDAJFCKTDFEJJY-IHWYPQMZSA-N 0 0 229.682 2.850 20 10 BFCDRN CCC[C@H](CC)C(=O)NCc1ccc(N)cc1 ZINC000873299525 584129301 /nfs/dbraw/zinc/12/93/01/584129301.db2.gz TVYOOQIDBNYFFO-LBPRGKRZSA-N 0 0 234.343 2.711 20 10 BFCDRN C[C@H](NC(=O)C1(C2CC2)CC1)c1ccccc1O ZINC000899181900 584179368 /nfs/dbraw/zinc/17/93/68/584179368.db2.gz NZGNSNFIPXLVDA-JTQLQIEISA-N 0 0 245.322 2.760 20 10 BFCDRN C/C=C\C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858537292 588963858 /nfs/dbraw/zinc/96/38/58/588963858.db2.gz NBVMWIWHWYGOIV-ZBJFTSOASA-N 0 0 236.271 2.527 20 10 BFCDRN Cc1cc(O)c(CNc2ccnc(C)n2)cc1C ZINC000902125346 584528975 /nfs/dbraw/zinc/52/89/75/584528975.db2.gz QYZALBPGXBNVNW-UHFFFAOYSA-N 0 0 243.310 2.720 20 10 BFCDRN CCN(CC)c1ccc(CN2CC(F)C2)cc1 ZINC000753576885 584894720 /nfs/dbraw/zinc/89/47/20/584894720.db2.gz PBSZJPHGWREGHF-UHFFFAOYSA-N 0 0 236.334 2.687 20 10 BFCDRN O=C(Nc1ccccc1)C1=CC(=O)CS1 ZINC000731864212 584929885 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/nfs/dbraw/zinc/02/70/28/712027028.db2.gz NSJDKQWHJFDAQG-SECBINFHSA-N 0 0 243.709 2.980 20 10 BFCDRN CN(C(=O)[C@H]1CC=CCC1)c1ccc(N)cc1 ZINC000702075976 712037963 /nfs/dbraw/zinc/03/79/63/712037963.db2.gz JNUILRZTIAMNHJ-NSHDSACASA-N 0 0 230.311 2.588 20 10 BFCDRN [O-]c1c(C[NH2+]C2(C3CC3)CC2)ccc(F)c1F ZINC000703228493 712068765 /nfs/dbraw/zinc/06/87/65/712068765.db2.gz AJVODDLRWMZNBT-UHFFFAOYSA-N 0 0 239.265 2.703 20 10 BFCDRN CC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703287496 712070495 /nfs/dbraw/zinc/07/04/95/712070495.db2.gz XEAZHXACCPVQRC-UHFFFAOYSA-N 0 0 227.254 2.560 20 10 BFCDRN CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703348239 712072700 /nfs/dbraw/zinc/07/27/00/712072700.db2.gz MUEVVUHTFMEXFR-GZMMTYOYSA-N 0 0 241.281 2.949 20 10 BFCDRN CCCC[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703456664 712075904 /nfs/dbraw/zinc/07/59/04/712075904.db2.gz ALUWZHGEVFRPLE-UHFFFAOYSA-N 0 0 229.270 2.902 20 10 BFCDRN C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703447869 712075931 /nfs/dbraw/zinc/07/59/31/712075931.db2.gz MNABAKRCWRDQRK-QMMMGPOBSA-N 0 0 227.254 2.512 20 10 BFCDRN [O-]c1c(CN2CCC[C@H](F)C2)ccc(F)c1F ZINC000703613727 712081469 /nfs/dbraw/zinc/08/14/69/712081469.db2.gz VGMUGDJIIBIYAV-VIFPVBQESA-N 0 0 245.244 2.604 20 10 BFCDRN C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])[C@@H]1C ZINC000708403184 712192758 /nfs/dbraw/zinc/19/27/58/712192758.db2.gz ZIEOEXVYMHKICB-RKDXNWHRSA-N 0 0 241.281 2.901 20 10 BFCDRN C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708442659 712194823 /nfs/dbraw/zinc/19/48/23/712194823.db2.gz NZCPOPJWYHOAGF-PELKAZGASA-N 0 0 241.281 2.949 20 10 BFCDRN CSCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708437775 712194900 /nfs/dbraw/zinc/19/49/00/712194900.db2.gz TZPROKSMDOJXCK-UHFFFAOYSA-N 0 0 247.310 2.513 20 10 BFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CC=CCC1 ZINC000708437653 712194905 /nfs/dbraw/zinc/19/49/05/712194905.db2.gz SMKBSEIMQGUMCZ-LLVKDONJSA-N 0 0 239.265 2.869 20 10 BFCDRN CC1(C)CC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708440642 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/nfs/dbraw/zinc/51/54/61/712515461.db2.gz PWEXISVZEKCNBW-SNVBAGLBSA-N 0 0 223.703 2.688 20 10 BFCDRN C[C@H]([NH2+][C@H]1CC12CC2)c1ccc(F)cc1[O-] ZINC000715318737 712515853 /nfs/dbraw/zinc/51/58/53/712515853.db2.gz HEHQXSPMFWXDCQ-UFBFGSQYSA-N 0 0 221.275 2.734 20 10 BFCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000716509363 712566466 /nfs/dbraw/zinc/56/64/66/712566466.db2.gz PDPBHFRKCRYFDZ-HYNSBDGHSA-N 0 0 244.338 2.524 20 10 BFCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)CC(C)C)c1 ZINC000862756965 712619083 /nfs/dbraw/zinc/61/90/83/712619083.db2.gz CBUNFFVKBSQLDP-GFCCVEGCSA-N 0 0 249.354 2.999 20 10 BFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@@H]2C(C)C)c1 ZINC000862757031 712619101 /nfs/dbraw/zinc/61/91/01/712619101.db2.gz DZHYAHSGIXWHOT-CHWSQXEVSA-N 0 0 247.338 2.609 20 10 BFCDRN Cc1ccc(O)c(CNC(=O)CC2(C)CC2)c1 ZINC000862757332 712619108 /nfs/dbraw/zinc/61/91/08/712619108.db2.gz PRHQSHILVOJOFK-UHFFFAOYSA-N 0 0 233.311 2.507 20 10 BFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2C(C)C)c1 ZINC000862757033 712619110 /nfs/dbraw/zinc/61/91/10/712619110.db2.gz DZHYAHSGIXWHOT-QWHCGFSZSA-N 0 0 247.338 2.609 20 10 BFCDRN C/C=C(/CC)C(=O)NCc1cc(C)ccc1O ZINC000862757049 712619119 /nfs/dbraw/zinc/61/91/19/712619119.db2.gz FKVVFTSFICNGGI-WCIBSUBMSA-N 0 0 233.311 2.673 20 10 BFCDRN CN(C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(N)cc1 ZINC000720806708 712867133 /nfs/dbraw/zinc/86/71/33/712867133.db2.gz QSMQBQRYOGQIDE-BYCMXARLSA-N 0 0 246.354 2.663 20 10 BFCDRN Clc1cnc(SCc2nncs2)s1 ZINC001166594065 966316874 /nfs/dbraw/zinc/31/68/74/966316874.db2.gz AMYGLJNVUQTBQA-UHFFFAOYSA-N 0 0 249.773 2.940 20 10 BFCDRN CC(C)c1ccc(O)c(CN2CC(F)(F)C2)c1 ZINC001207861960 968909020 /nfs/dbraw/zinc/90/90/20/968909020.db2.gz MQPJPIOOTREDRB-UHFFFAOYSA-N 0 0 241.281 2.967 20 10 BFCDRN Oc1cccc(Nc2cnccc2Cl)c1O ZINC001211210643 970173324 /nfs/dbraw/zinc/17/33/24/970173324.db2.gz OHXDWQZUIUYPKY-UHFFFAOYSA-N 0 0 236.658 2.890 20 10 BFCDRN Oc1cc(Cl)c(F)cc1CN1CC=CC1 ZINC001237933558 980115055 /nfs/dbraw/zinc/11/50/55/980115055.db2.gz CNJLBGTWWNDZJQ-UHFFFAOYSA-N 0 0 227.666 2.557 20 10 BFCDRN CCOCc1cncc(Nc2ccc(N)cc2)c1 ZINC001215789695 970841051 /nfs/dbraw/zinc/84/10/51/970841051.db2.gz CXSLNTKAINOXBB-UHFFFAOYSA-N 0 0 243.310 2.944 20 10 BFCDRN Nc1ccc(NC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000403097016 970881176 /nfs/dbraw/zinc/88/11/76/970881176.db2.gz VJTFYGPKTUOKAK-GIPNMCIBSA-N 0 0 245.326 2.579 20 10 BFCDRN Cc1c[nH+]ccc1Nc1cc(Cl)ccc1O ZINC001216396501 971072837 /nfs/dbraw/zinc/07/28/37/971072837.db2.gz KJHLMWOMGPOYLZ-UHFFFAOYSA-N 0 0 234.686 2.915 20 10 BFCDRN Nc1cccc(Nc2ccc3c(c2)OCCN3)c1 ZINC001159464788 971870523 /nfs/dbraw/zinc/87/05/23/971870523.db2.gz MIBLOASZLWJOFR-UHFFFAOYSA-N 0 0 241.294 2.817 20 10 BFCDRN COc1cc(Nc2ccc(N)cc2)c(F)cn1 ZINC000310144228 971952902 /nfs/dbraw/zinc/95/29/02/971952902.db2.gz CYVDWJFLLMHOLI-UHFFFAOYSA-N 0 0 233.246 2.555 20 10 BFCDRN CS[C@H](C)CC[N@H+](C)Cc1ccccc1O ZINC001208156738 957040121 /nfs/dbraw/zinc/04/01/21/957040121.db2.gz 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2.635 20 10 BFCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CC2CC(C2)C1 ZINC001142530781 961482229 /nfs/dbraw/zinc/48/22/29/961482229.db2.gz LQZLJOIDMUGWQH-UHFFFAOYSA-N 0 0 239.265 2.512 20 10 BFCDRN COc1ccc(Nc2ccc(N)cc2)c(CO)c1 ZINC001211745085 961840715 /nfs/dbraw/zinc/84/07/15/961840715.db2.gz CHDKMTVDWOSXCT-UHFFFAOYSA-N 0 0 244.294 2.513 20 10 BFCDRN CC[C@H]1CCN(C(=O)C2=CC(=O)CS2)[C@H]1C ZINC001154800951 962851060 /nfs/dbraw/zinc/85/10/60/962851060.db2.gz CMWSLCHCTWNOGM-IUCAKERBSA-N 0 0 239.340 2.714 20 10 BFCDRN CCN(Cc1ccccc1O)c1cc(C)cnn1 ZINC001154889817 962885369 /nfs/dbraw/zinc/88/53/69/962885369.db2.gz IERYAZCYBCRVSR-UHFFFAOYSA-N 0 0 243.310 2.517 20 10 BFCDRN Cc1c(F)ccnc1NCc1ccc(O)c(O)c1 ZINC001158995331 963969507 /nfs/dbraw/zinc/96/95/07/963969507.db2.gz CWKSJTVNDHVFNE-UHFFFAOYSA-N 0 0 248.257 2.552 20 10 BFCDRN Nc1ccc(Nc2c[nH]c3cnccc23)cc1 ZINC001159486167 964113155 /nfs/dbraw/zinc/11/31/55/964113155.db2.gz YYVFBTZTEWBZTN-UHFFFAOYSA-N 0 0 224.267 2.889 20 10 BFCDRN 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ZINC000168875690 167245382 /nfs/dbraw/zinc/24/53/82/167245382.db2.gz DMXYZMGOTAUJFO-JTQLQIEISA-N 0 0 241.306 2.607 20 10 BFCDRN CCC(C)(C)NC(=O)Nc1ccc(N)cc1 ZINC000035407494 168293991 /nfs/dbraw/zinc/29/39/91/168293991.db2.gz HQNQYZWHFDQJOR-UHFFFAOYSA-N 0 0 221.304 2.579 20 10 BFCDRN CCOCCN(CC)c1ccc(OC)cc1 ZINC000266040202 170396323 /nfs/dbraw/zinc/39/63/23/170396323.db2.gz UDBMAZSQOIXQTH-UHFFFAOYSA-N 0 0 223.316 2.558 20 10 BFCDRN CC[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])OC ZINC000290927433 171438276 /nfs/dbraw/zinc/43/82/76/171438276.db2.gz ONPVVWFQIPEPHP-SNVBAGLBSA-N 0 0 243.734 2.560 20 10 BFCDRN CCc1noc([C@@H](C)Sc2nccs2)n1 ZINC000299064227 172089419 /nfs/dbraw/zinc/08/94/19/172089419.db2.gz VMHMXGOIULHPPY-ZCFIWIBFSA-N 0 0 241.341 2.942 20 10 BFCDRN COCCCCCOc1ccc(N(C)C)cc1 ZINC000277481680 174186612 /nfs/dbraw/zinc/18/66/12/174186612.db2.gz CMYWQQZNYJFTCI-UHFFFAOYSA-N 0 0 237.343 2.948 20 10 BFCDRN CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000290908679 174843183 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586577829 /nfs/dbraw/zinc/57/78/29/586577829.db2.gz UAHNBJIRQIDTHG-UHFFFAOYSA-N 0 0 247.338 2.931 20 10 BFCDRN C[C@H]1C[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816535698 586739577 /nfs/dbraw/zinc/73/95/77/586739577.db2.gz XDCPYCVWFNJABL-JGVFFNPUSA-N 0 0 243.709 2.930 20 10 BFCDRN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC=CCC1 ZINC000816564730 586740315 /nfs/dbraw/zinc/74/03/15/586740315.db2.gz OKAREJHCISNUSG-UHFFFAOYSA-N 0 0 241.693 2.947 20 10 BFCDRN C[C@@H]([NH2+][C@@H]1CC12CC2)c1cc(F)cc(F)c1[O-] ZINC000818356729 586889068 /nfs/dbraw/zinc/88/90/68/586889068.db2.gz QLCOFHAZTBNNJB-RDDDGLTNSA-N 0 0 239.265 2.874 20 10 BFCDRN Cc1nocc1CSc1nccs1 ZINC000821077906 587094222 /nfs/dbraw/zinc/09/42/22/587094222.db2.gz DGUQSFKNJYEWKO-UHFFFAOYSA-N 0 0 212.299 2.732 20 10 BFCDRN Cc1nnsc1CSc1nccs1 ZINC000821077897 587094424 /nfs/dbraw/zinc/09/44/24/587094424.db2.gz CUPRWYCEGHWJSV-UHFFFAOYSA-N 0 0 229.355 2.595 20 10 BFCDRN C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)[C@H](C)C1 ZINC000822438098 587168232 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591938874 /nfs/dbraw/zinc/93/88/74/591938874.db2.gz YKYSWQYIJHHPIG-UHFFFAOYSA-N 0 0 243.310 2.918 20 10 BFCDRN CCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000134900620 591958008 /nfs/dbraw/zinc/95/80/08/591958008.db2.gz OMVNBZAJRTWXTQ-SSDOTTSWSA-N 0 0 215.243 2.731 20 10 BFCDRN CSCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000134908200 591958176 /nfs/dbraw/zinc/95/81/76/591958176.db2.gz IVKKSKWFNVXHBY-SSDOTTSWSA-N 0 0 247.310 2.684 20 10 BFCDRN C[C@@H](NCc1ccc(N(C)C)cc1)c1ncco1 ZINC000886276129 592195518 /nfs/dbraw/zinc/19/55/18/592195518.db2.gz XSXXDGKDEMZOBN-LLVKDONJSA-N 0 0 245.326 2.591 20 10 BFCDRN C[C@@H](NC(=O)Nc1ccc(N)cc1)C1CCC1 ZINC000137845170 592223144 /nfs/dbraw/zinc/22/31/44/592223144.db2.gz IFLTVTOGFXQYPN-SECBINFHSA-N 0 0 233.315 2.579 20 10 BFCDRN C[C@@H]([NH2+][C@H](C)C1CC1)c1c([O-])cccc1F ZINC000886492002 592237065 /nfs/dbraw/zinc/23/70/65/592237065.db2.gz ZOOOEARYUZHQCG-RKDXNWHRSA-N 0 0 223.291 2.980 20 10 BFCDRN CSC[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886530784 592246903 /nfs/dbraw/zinc/24/69/03/592246903.db2.gz QEUGJCFTHHJTOH-DTWKUNHWSA-N 0 0 243.347 2.933 20 10 BFCDRN CSC[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886530785 592247556 /nfs/dbraw/zinc/24/75/56/592247556.db2.gz QEUGJCFTHHJTOH-IUCAKERBSA-N 0 0 243.347 2.933 20 10 BFCDRN CC[C@@H](COC)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886530757 592247586 /nfs/dbraw/zinc/24/75/86/592247586.db2.gz PVOTXKCWNBMZFV-UWVGGRQHSA-N 0 0 241.306 2.607 20 10 BFCDRN C[C@H]([NH2+][C@@H]1CCSC1)c1c([O-])cccc1F ZINC000886549795 592257304 /nfs/dbraw/zinc/25/73/04/592257304.db2.gz NNLOPFUNVKQFPR-DTWKUNHWSA-N 0 0 241.331 2.687 20 10 BFCDRN C[C@@H]([NH2+][C@H]1CCSC1)c1c([O-])cccc1F ZINC000886549794 592257454 /nfs/dbraw/zinc/25/74/54/592257454.db2.gz NNLOPFUNVKQFPR-BDAKNGLRSA-N 0 0 241.331 2.687 20 10 BFCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1cn[nH]c1 ZINC000886556572 592260368 /nfs/dbraw/zinc/26/03/68/592260368.db2.gz FUFHBMFNFJOJHU-BDAKNGLRSA-N 0 0 249.289 2.666 20 10 BFCDRN CCn1cc(N[C@H](C)c2c(O)cccc2F)cn1 ZINC000886578459 592267339 /nfs/dbraw/zinc/26/73/39/592267339.db2.gz XQARWIBWFJYGHW-SECBINFHSA-N 0 0 249.289 2.921 20 10 BFCDRN Cc1c(N[C@H](C)c2c(O)cccc2F)cnn1C ZINC000886580544 592269336 /nfs/dbraw/zinc/26/93/36/592269336.db2.gz MPDHTIKHZMDDBM-MRVPVSSYSA-N 0 0 249.289 2.746 20 10 BFCDRN CC[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)OC ZINC000886612127 592276363 /nfs/dbraw/zinc/27/63/63/592276363.db2.gz CKCNQAQEPDZNPA-ZJUUUORDSA-N 0 0 241.306 2.607 20 10 BFCDRN C[C@@H]([NH2+][C@H]1CC1(C)C)c1c([O-])cccc1F ZINC000886625064 592279076 /nfs/dbraw/zinc/27/90/76/592279076.db2.gz HQELDVWXRCLGDA-KCJUWKMLSA-N 0 0 223.291 2.980 20 10 BFCDRN C[C@@H](N[C@@H](C)C(F)F)c1c(O)cccc1F ZINC000886651969 592291001 /nfs/dbraw/zinc/29/10/01/592291001.db2.gz WCKHBXBHJVUGRH-RQJHMYQMSA-N 0 0 233.233 2.836 20 10 BFCDRN C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000309288908 631993358 /nfs/dbraw/zinc/99/33/58/631993358.db2.gz JFIOFBIJZYAQTM-AUTRQRHGSA-N 0 0 223.291 2.980 20 10 BFCDRN Cc1ccc(C(=O)Nc2ccsc2)c(O)c1O ZINC000179505697 632729766 /nfs/dbraw/zinc/72/97/66/632729766.db2.gz QVCORZICECVKOZ-UHFFFAOYSA-N 0 0 249.291 2.720 20 10 BFCDRN CCCC[C@@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000310619479 632807427 /nfs/dbraw/zinc/80/74/27/632807427.db2.gz LCQYYRVHFYKYQJ-GFCCVEGCSA-N 0 0 248.370 2.754 20 10 BFCDRN Cc1cc(C)c(O)c(CN(C)CC(F)F)c1 ZINC000164288934 633075709 /nfs/dbraw/zinc/07/57/09/633075709.db2.gz POESHHAMPMYIHX-UHFFFAOYSA-N 0 0 229.270 2.706 20 10 BFCDRN C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000163164975 636079781 /nfs/dbraw/zinc/07/97/81/636079781.db2.gz OIZYMBBMDCWDNS-NXEZZACHSA-N 0 0 223.291 2.762 20 10 BFCDRN C[C@@H]1C[C@@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000309777566 633732692 /nfs/dbraw/zinc/73/26/92/633732692.db2.gz MABACQNVGJNQPV-HTQZYQBOSA-N 0 0 243.709 2.930 20 10 BFCDRN COCCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000162828279 635136835 /nfs/dbraw/zinc/13/68/35/635136835.db2.gz IXRKJJIDDQJAIB-UHFFFAOYSA-N 0 0 243.734 2.562 20 10 BFCDRN CN(CCC1CC1)C(=O)Nc1ccc(N)cc1 ZINC000310204755 635388074 /nfs/dbraw/zinc/38/80/74/635388074.db2.gz BLZVULWZOGZVCM-UHFFFAOYSA-N 0 0 233.315 2.533 20 10 BFCDRN CC(C)(C)CC(=O)NCc1c(O)cccc1F ZINC000928707724 636341491 /nfs/dbraw/zinc/34/14/91/636341491.db2.gz BEZIIFXUOHGSTA-UHFFFAOYSA-N 0 0 239.290 2.584 20 10 BFCDRN COc1ccc(CNc2cccc(F)n2)c(O)c1 ZINC000083378222 636872518 /nfs/dbraw/zinc/87/25/18/636872518.db2.gz MNIIIQCQMFXCLP-UHFFFAOYSA-N 0 0 248.257 2.547 20 10 BFCDRN CC(C)(C(=O)NCc1ccccc1O)C1CCC1 ZINC000322779886 636879304 /nfs/dbraw/zinc/87/93/04/636879304.db2.gz MJQXYVOGIFFWTN-UHFFFAOYSA-N 0 0 247.338 2.835 20 10 BFCDRN CC(C)(CNC(=O)Nc1ccc(N)cc1)C1CC1 ZINC000904501095 637429802 /nfs/dbraw/zinc/42/98/02/637429802.db2.gz RPRXRSDENHCHFB-UHFFFAOYSA-N 0 0 247.342 2.827 20 10 BFCDRN Oc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000166241593 640623860 /nfs/dbraw/zinc/62/38/60/640623860.db2.gz FREIJNNOYBMCEL-UHFFFAOYSA-N 0 0 249.260 2.960 20 10 BFCDRN COc1cccc(CNc2ccc(F)nc2)c1O ZINC000226550851 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HHNPZEMESNDGIW-UHFFFAOYSA-N 0 0 231.251 2.645 20 10 BFCDRN Cc1cc(NCc2cc(C)ccc2O)no1 ZINC000083349314 643437474 /nfs/dbraw/zinc/43/74/74/643437474.db2.gz OOBTYGXEEONDEU-UHFFFAOYSA-N 0 0 218.256 2.609 20 10 BFCDRN Cc1ccc(NCc2ccccc2O)cn1 ZINC000083347808 643437893 /nfs/dbraw/zinc/43/78/93/643437893.db2.gz FHONWBMAJDPYQQ-UHFFFAOYSA-N 0 0 214.268 2.708 20 10 BFCDRN Cc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000082306534 644365609 /nfs/dbraw/zinc/36/56/09/644365609.db2.gz QVIZDWDZTXBZQQ-UHFFFAOYSA-N 0 0 241.290 2.631 20 10 BFCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000756458565 644628060 /nfs/dbraw/zinc/62/80/60/644628060.db2.gz XMHVTCLHJRNETR-VGMNWLOBSA-N 0 0 241.281 2.977 20 10 BFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CC12CCC2 ZINC000760126919 644646082 /nfs/dbraw/zinc/64/60/82/644646082.db2.gz UTSIHEABDVQTIY-GFCCVEGCSA-N 0 0 245.322 2.541 20 10 BFCDRN C[C@H]1CC[C@H](NC(=O)Nc2ccc(N)cc2)CC1 ZINC000253115732 644937869 /nfs/dbraw/zinc/93/78/69/644937869.db2.gz FTSZZKCXTKAFDX-UMSPYCQHSA-N 0 0 247.342 2.969 20 10 BFCDRN CN(CC1CCCC1)C(=O)Nc1ccc(N)cc1 ZINC000104352535 645211848 /nfs/dbraw/zinc/21/18/48/645211848.db2.gz JEKVFDMJENFALD-UHFFFAOYSA-N 0 0 247.342 2.923 20 10 BFCDRN CC[C@@H](COc1ccc(N(C)C)cc1)OC ZINC000842043361 645238665 /nfs/dbraw/zinc/23/86/65/645238665.db2.gz KELXDHWLFUZONT-LBPRGKRZSA-N 0 0 223.316 2.556 20 10 BFCDRN CCN(CCOC1CC1)c1ccc(OC)cc1 ZINC000929904281 646370913 /nfs/dbraw/zinc/37/09/13/646370913.db2.gz LNXWNOVPEQGHPC-UHFFFAOYSA-N 0 0 235.327 2.701 20 10 BFCDRN Cc1ccc(O)c(CN2CCC(F)(F)C2)c1 ZINC000313312411 711717136 /nfs/dbraw/zinc/71/71/36/711717136.db2.gz HUASSXRQYLWGEN-UHFFFAOYSA-N 0 0 227.254 2.542 20 10 BFCDRN C[C@H](F)CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703271713 712069108 /nfs/dbraw/zinc/06/91/08/712069108.db2.gz CRWCMORLPRKBOU-ZETCQYMHSA-N 0 0 233.233 2.508 20 10 BFCDRN C[N@H+](Cc1cc(F)ccc1O)C(C)(C)C ZINC000381938657 710759983 /nfs/dbraw/zinc/75/99/83/710759983.db2.gz UVBMFSQRPSXQEW-UHFFFAOYSA-N 0 0 211.280 2.762 20 10 BFCDRN CCCC1(C(=O)Nc2ccc(N)cc2)CC1 ZINC000380665638 712902285 /nfs/dbraw/zinc/90/22/85/712902285.db2.gz YQOIWWPIJBCRJM-UHFFFAOYSA-N 0 0 218.300 2.788 20 10 BFCDRN Cc1ccc([C@@H](C)NCc2cocn2)c(O)c1 ZINC000397981479 711397409 /nfs/dbraw/zinc/39/74/09/711397409.db2.gz RTSOOHBLQQKSSR-SNVBAGLBSA-N 0 0 232.283 2.539 20 10 BFCDRN Cc1ccc(O)c(CN[C@H]2CCCC2(F)F)c1 ZINC000398017624 711399883 /nfs/dbraw/zinc/39/98/83/711399883.db2.gz XUULYDGBYDNAHJ-LBPRGKRZSA-N 0 0 241.281 2.978 20 10 BFCDRN CC1(C2(NC(=O)Nc3ccc(N)cc3)CC2)CC1 ZINC000398260030 711405574 /nfs/dbraw/zinc/40/55/74/711405574.db2.gz OCVOUXMPOUFHNM-UHFFFAOYSA-N 0 0 245.326 2.723 20 10 BFCDRN CC[C@@H]1C[C@H](C)CN1C(=O)Nc1ccc(N)cc1 ZINC000399070613 711420647 /nfs/dbraw/zinc/42/06/47/711420647.db2.gz GMOUKMGBGWWCBB-GXFFZTMASA-N 0 0 247.342 2.921 20 10 BFCDRN C[C@H]1CCC[C@@H](C(=O)NCc2ccc(N)cc2)C1 ZINC000383255083 711490827 /nfs/dbraw/zinc/49/08/27/711490827.db2.gz WVUHYJWUAPFQDN-WCQYABFASA-N 0 0 246.354 2.711 20 10 BFCDRN C[C@@H](C(=O)N(C)c1ccc(N)cc1)C(C)(C)C ZINC000399153369 711744170 /nfs/dbraw/zinc/74/41/70/711744170.db2.gz YOSHAYHBAVXCBN-JTQLQIEISA-N 0 0 234.343 2.914 20 10 BFCDRN COC[C@H](CN(C)c1ccc(N)cc1)C(C)C ZINC000721922160 711937343 /nfs/dbraw/zinc/93/73/43/711937343.db2.gz UXJBZSOSYWFCKN-LBPRGKRZSA-N 0 0 236.359 2.624 20 10 BFCDRN CO[C@@H](CN(C)c1ccc(N)cc1)C1CCC1 ZINC000700946223 712010568 /nfs/dbraw/zinc/01/05/68/712010568.db2.gz UVPZPUOXCCADNG-AWEZNQCLSA-N 0 0 234.343 2.520 20 10 BFCDRN [O-]c1c(C[NH2+][C@]23C[C@H]2CCC3)ccc(F)c1F ZINC000703286274 712069261 /nfs/dbraw/zinc/06/92/61/712069261.db2.gz NVSKSDTZVYKXHB-NOZJJQNGSA-N 0 0 239.265 2.703 20 10 BFCDRN C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703364453 712074157 /nfs/dbraw/zinc/07/41/57/712074157.db2.gz LMFUADLARFHIEO-KCJUWKMLSA-N 0 0 241.281 2.949 20 10 BFCDRN CCC[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703449159 712076218 /nfs/dbraw/zinc/07/62/18/712076218.db2.gz ZNKXFAYYDKHZDA-UHFFFAOYSA-N 0 0 215.243 2.512 20 10 BFCDRN CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000704185659 712100416 /nfs/dbraw/zinc/10/04/16/712100416.db2.gz UUEPYJNQRURGLR-VXGBXAGGSA-N 0 0 232.327 2.890 20 10 BFCDRN Nc1ccc(NC(=O)[C@@H]2CCCC23CC3)cc1 ZINC000707019693 712163892 /nfs/dbraw/zinc/16/38/92/712163892.db2.gz BQBHXXMUFYPWEC-LBPRGKRZSA-N 0 0 230.311 2.788 20 10 BFCDRN CC(C)(C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708392243 712192034 /nfs/dbraw/zinc/19/20/34/712192034.db2.gz ZLYIFIKCQJYZDW-UHFFFAOYSA-N 0 0 215.243 2.559 20 10 BFCDRN C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])[C@H]1C ZINC000708403181 712192529 /nfs/dbraw/zinc/19/25/29/712192529.db2.gz ZIEOEXVYMHKICB-BDAKNGLRSA-N 0 0 241.281 2.901 20 10 BFCDRN CC(C)CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708394217 712192788 /nfs/dbraw/zinc/19/27/88/712192788.db2.gz SJDKDSFZRSRYGV-UHFFFAOYSA-N 0 0 229.270 2.806 20 10 BFCDRN CC(C)C[C@@H](C)C(=O)NCc1ccccc1O ZINC000709165300 712213313 /nfs/dbraw/zinc/21/33/13/712213313.db2.gz MAXJAKDWGWVUDQ-LLVKDONJSA-N 0 0 235.327 2.691 20 10 BFCDRN 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CCC[C@@H](CN(C)c1ccc(OC)cc1)OC ZINC001308850029 991174207 /nfs/dbraw/zinc/17/42/07/991174207.db2.gz LCFPFTOYSSHKIT-AWEZNQCLSA-N 0 0 237.343 2.947 20 10 BFCDRN CC(C)(F)CC[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001308856466 991180740 /nfs/dbraw/zinc/18/07/40/991180740.db2.gz ZUSNVJJZMYEEDL-UHFFFAOYSA-N 0 0 247.260 2.898 20 10 BFCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC001308883305 991202734 /nfs/dbraw/zinc/20/27/34/991202734.db2.gz RBBFOPVWGILZEI-PTEHBNRSSA-N 0 0 237.730 2.934 20 10 BFCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001139688073 991319803 /nfs/dbraw/zinc/31/98/03/991319803.db2.gz YGVOSFGOLFKBAF-QPUJVOFHSA-N 0 0 239.265 2.655 20 10 BFCDRN Oc1cccc(Cl)c1CN1CCCCO1 ZINC001140337870 991611851 /nfs/dbraw/zinc/61/18/51/991611851.db2.gz KFBHLFZLOGGFCQ-UHFFFAOYSA-N 0 0 227.691 2.573 20 10 BFCDRN C[C@@H]1C[C@H](F)CN1Cc1ccc(Cl)cc1O ZINC001140460992 991643038 /nfs/dbraw/zinc/64/30/38/991643038.db2.gz AOTQCTOOBCPATM-KCJUWKMLSA-N 0 0 243.709 2.978 20 10 BFCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC001560902468 991645700 /nfs/dbraw/zinc/64/57/00/991645700.db2.gz FHAOEGSWWZFDLN-WDEREUQCSA-N 0 0 241.281 2.902 20 10 BFCDRN CCC[C@@H](C)CCNC(=O)Cc1ccc(N)cc1 ZINC001262040305 992627687 /nfs/dbraw/zinc/62/76/87/992627687.db2.gz MCCWFEXPZUDCJT-GFCCVEGCSA-N 0 0 248.370 2.754 20 10 BFCDRN C[C@H]1CC/C(=C/C(=O)Oc2ccc(N)cc2)C1 ZINC001576636209 993379736 /nfs/dbraw/zinc/37/97/36/993379736.db2.gz HMESAKWYKXXELU-RGAIUGGKSA-N 0 0 231.295 2.921 20 10 BFCDRN C[C@@H]([NH2+]CC1CCC1)c1cc(C(=O)[O-])ccc1O ZINC001593252855 994509638 /nfs/dbraw/zinc/50/96/38/994509638.db2.gz VYFPLJWRZXBERU-SECBINFHSA-N 0 0 249.310 2.541 20 10 BFCDRN Fc1cccc(CSc2nccs2)n1 ZINC001307295651 995315360 /nfs/dbraw/zinc/31/53/60/995315360.db2.gz STGPXYABMDJFGG-UHFFFAOYSA-N 0 0 226.301 2.970 20 10 BFCDRN COc1ccc(N(C)Cc2ccncc2)cc1 ZINC001307905601 995496657 /nfs/dbraw/zinc/49/66/57/995496657.db2.gz OQXSLXZJWMIAGK-UHFFFAOYSA-N 0 0 228.295 2.727 20 10 BFCDRN CCC(CC)(CC)NC(=O)Cc1ccc(N)cc1 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C[C@H]1CC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203427 589744631 /nfs/dbraw/zinc/74/46/31/589744631.db2.gz AIURWPVHOLLJCB-QWRGUYRKSA-N 0 0 245.322 2.671 20 10 BFCDRN CC(C)[C@H]1C[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203604 589744707 /nfs/dbraw/zinc/74/47/07/589744707.db2.gz DCXKAWMYUWUQHX-VXGBXAGGSA-N 0 0 245.322 2.527 20 10 BFCDRN CC/C(C)=C(/C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871205282 589745521 /nfs/dbraw/zinc/74/55/21/589745521.db2.gz YJESCONYPMZLNA-KHPPLWFESA-N 0 0 245.322 2.981 20 10 BFCDRN Cc1conc1CSc1nccs1 ZINC000871650114 589781754 /nfs/dbraw/zinc/78/17/54/589781754.db2.gz RJXVQJUSPCECIO-UHFFFAOYSA-N 0 0 212.299 2.732 20 10 BFCDRN CO[C@H]1C[C@@H](COc2ccc(N(C)C)cc2)C1 ZINC000871746324 589803795 /nfs/dbraw/zinc/80/37/95/589803795.db2.gz ZHJDOEMZGQUPBM-VDISTLRHSA-N 0 0 235.327 2.556 20 10 BFCDRN CC(C)Nc1ccccc1NCc1ncccn1 ZINC000871845441 589824637 /nfs/dbraw/zinc/82/46/37/589824637.db2.gz AWHZJEXEBZUVHL-UHFFFAOYSA-N 0 0 242.326 2.909 20 10 BFCDRN CCC[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000874987108 590159055 /nfs/dbraw/zinc/15/90/55/590159055.db2.gz OPMNYSWGEPUWDE-SNVBAGLBSA-N 0 0 248.326 2.606 20 10 BFCDRN Cc1cccc(O)c1CN(C)Cc1nccs1 ZINC000876760700 590238850 /nfs/dbraw/zinc/23/88/50/590238850.db2.gz OSTZDGFQWROSSJ-UHFFFAOYSA-N 0 0 248.351 2.789 20 10 BFCDRN CCC/C=C\C(=O)N(C)c1ccc(N)cc1 ZINC000877074303 590278239 /nfs/dbraw/zinc/27/82/39/590278239.db2.gz GDFRQORUAXUFQX-WAYWQWQTSA-N 0 0 218.300 2.588 20 10 BFCDRN CN(C(=O)/C=C/C(C)(C)C)c1ccc(N)cc1 ZINC000877078087 590279370 /nfs/dbraw/zinc/27/93/70/590279370.db2.gz CECOFFOSVYOUPG-MDZDMXLPSA-N 0 0 232.327 2.834 20 10 BFCDRN C[C@H]1CCCCCN1C(=O)c1cccc(O)c1O ZINC000126431159 590302201 /nfs/dbraw/zinc/30/22/01/590302201.db2.gz LXSYNDPEHONAPI-JTQLQIEISA-N 0 0 249.310 2.503 20 10 BFCDRN CCN(Cc1c(C)cccc1O)CC(F)F ZINC000877331414 590318209 /nfs/dbraw/zinc/31/82/09/590318209.db2.gz OJTSSBSDGCQSRC-UHFFFAOYSA-N 0 0 229.270 2.788 20 10 BFCDRN Cc1cccc(O)c1CN[C@@H]1CCCC1(F)F ZINC000877533990 590349882 /nfs/dbraw/zinc/34/98/82/590349882.db2.gz YVTSIMFMZMXYEG-GFCCVEGCSA-N 0 0 241.281 2.978 20 10 BFCDRN CO[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C[C@@H]1C ZINC000877565849 590361224 /nfs/dbraw/zinc/36/12/24/590361224.db2.gz RZCODHYVKLFCET-WFASDCNBSA-N 0 0 249.354 2.557 20 10 BFCDRN CCC(F)(F)CNCc1c(C)cccc1O ZINC000877655159 590384781 /nfs/dbraw/zinc/38/47/81/590384781.db2.gz PXSVGKJFHLPUIN-UHFFFAOYSA-N 0 0 229.270 2.836 20 10 BFCDRN CCC[C@@H](C[N@@H+]1Cc2cccc(O)c2C1)OC ZINC000877702899 590396103 /nfs/dbraw/zinc/39/61/03/590396103.db2.gz JHDPVRZFTJWJNN-LBPRGKRZSA-N 0 0 235.327 2.523 20 10 BFCDRN Cc1ccc(CN2Cc3cccc(O)c3C2)cn1 ZINC000877703276 590396571 /nfs/dbraw/zinc/39/65/71/590396571.db2.gz ZKPKMQLMDFVPRF-UHFFFAOYSA-N 0 0 240.306 2.611 20 10 BFCDRN CCN(C[C@H]1CCO[C@@H]1C)c1ccc(OC)cc1 ZINC000878219343 590525823 /nfs/dbraw/zinc/52/58/23/590525823.db2.gz KDXLQYTYLQYUBC-CHWSQXEVSA-N 0 0 249.354 2.947 20 10 BFCDRN CCOc1ccc(N(CC(C)=O)CC2CC2)cc1 ZINC000879117480 590699144 /nfs/dbraw/zinc/69/91/44/590699144.db2.gz TZFWXIWWFPLJTJ-UHFFFAOYSA-N 0 0 247.338 2.891 20 10 BFCDRN c1csc(Sc2cc(C3CC3)ncn2)n1 ZINC000881837967 591274150 /nfs/dbraw/zinc/27/41/50/591274150.db2.gz ZSNTYOUKGUEFBU-UHFFFAOYSA-N 0 0 235.337 2.962 20 10 BFCDRN Cn1cnc(CSc2ncc(Cl)s2)c1 ZINC000882238381 591319275 /nfs/dbraw/zinc/31/92/75/591319275.db2.gz NOWWTVRCVJINGB-UHFFFAOYSA-N 0 0 245.760 2.822 20 10 BFCDRN C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C[C@@H]1C ZINC000130265674 591453882 /nfs/dbraw/zinc/45/38/82/591453882.db2.gz RKXSNFHDSQXVGG-MNOVXSKESA-N 0 0 247.342 2.779 20 10 BFCDRN CC(C)[C@@H](O)CCOc1ccc(N(C)C)cc1 ZINC000882989091 591496351 /nfs/dbraw/zinc/49/63/51/591496351.db2.gz ZRRDCPDIFDSQNA-AWEZNQCLSA-N 0 0 237.343 2.538 20 10 BFCDRN CC[C@@H]1CCC[N@@H+]1Cc1cccc(OC)c1O ZINC000132434322 591707748 /nfs/dbraw/zinc/70/77/48/591707748.db2.gz RKXYUMZBBCGTAG-GFCCVEGCSA-N 0 0 235.327 2.775 20 10 BFCDRN Cc1cc(C(=O)NCc2ccccc2O)c(C)o1 ZINC000133775011 591856294 /nfs/dbraw/zinc/85/62/94/591856294.db2.gz VYRSWLRHTUQRSM-UHFFFAOYSA-N 0 0 245.278 2.532 20 10 BFCDRN COC(C)(C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000133898889 591867678 /nfs/dbraw/zinc/86/76/78/591867678.db2.gz AXXXTNFZGZNQDH-UHFFFAOYSA-N 0 0 243.734 2.560 20 10 BFCDRN CSCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000134908179 591957939 /nfs/dbraw/zinc/95/79/39/591957939.db2.gz IVKKSKWFNVXHBY-ZETCQYMHSA-N 0 0 247.310 2.684 20 10 BFCDRN CC(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000134902388 591958141 /nfs/dbraw/zinc/95/81/41/591958141.db2.gz YJXIPNJUQRDNPO-QMMMGPOBSA-N 0 0 229.270 2.977 20 10 BFCDRN C[C@H]([NH2+]CC1CC1)c1cc(F)cc(F)c1[O-] ZINC000134912450 591959222 /nfs/dbraw/zinc/95/92/22/591959222.db2.gz APXBXPMSRZGLEB-ZETCQYMHSA-N 0 0 227.254 2.731 20 10 BFCDRN CCc1nccc(N[C@H](C)c2ccccc2O)n1 ZINC000884574700 591985121 /nfs/dbraw/zinc/98/51/21/591985121.db2.gz RCIGMFBECZXGLO-SNVBAGLBSA-N 0 0 243.310 2.918 20 10 BFCDRN CCOCCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886487418 592234687 /nfs/dbraw/zinc/23/46/87/592234687.db2.gz CMVUESLUVXSKRQ-JTQLQIEISA-N 0 0 241.306 2.609 20 10 BFCDRN C[C@@H]([NH2+]CC1CCC1)c1c([O-])cccc1F ZINC000886513111 592241179 /nfs/dbraw/zinc/24/11/79/592241179.db2.gz UHYPDFGONBYISG-SECBINFHSA-N 0 0 223.291 2.982 20 10 BFCDRN CSC[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886530783 592247590 /nfs/dbraw/zinc/24/75/90/592247590.db2.gz QEUGJCFTHHJTOH-BDAKNGLRSA-N 0 0 243.347 2.933 20 10 BFCDRN C[C@H]([NH2+]C1CC=CC1)c1c([O-])cccc1F ZINC000886541610 592255527 /nfs/dbraw/zinc/25/55/27/592255527.db2.gz YLFWQQAKBOAKJI-VIFPVBQESA-N 0 0 221.275 2.901 20 10 BFCDRN CS[C@@H](C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886555402 592258410 /nfs/dbraw/zinc/25/84/10/592258410.db2.gz RJKCBKXDYUJNSP-IUCAKERBSA-N 0 0 243.347 2.933 20 10 BFCDRN C[C@H]([NH2+]CCCF)c1c([O-])cccc1F ZINC000886551803 592258567 /nfs/dbraw/zinc/25/85/67/592258567.db2.gz OTXGIHBOZOCCJD-QMMMGPOBSA-N 0 0 215.243 2.542 20 10 BFCDRN CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886596926 592272369 /nfs/dbraw/zinc/27/23/69/592272369.db2.gz RTFGHYPNYJVYKC-GUBZILKMSA-N 0 0 241.306 2.605 20 10 BFCDRN C[C@@H](F)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886616182 592275350 /nfs/dbraw/zinc/27/53/50/592275350.db2.gz WLJUWIXQNTUOFI-BDAKNGLRSA-N 0 0 229.270 2.930 20 10 BFCDRN C[C@@H](NCC(C)(F)F)c1c(O)cccc1F ZINC000886615547 592276113 /nfs/dbraw/zinc/27/61/13/592276113.db2.gz IUWNGTCFNGKPGN-SSDOTTSWSA-N 0 0 233.233 2.837 20 10 BFCDRN CC[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)OC ZINC000886612124 592276404 /nfs/dbraw/zinc/27/64/04/592276404.db2.gz CKCNQAQEPDZNPA-NXEZZACHSA-N 0 0 241.306 2.607 20 10 BFCDRN CN(C(=O)C(C1CC1)C1CC1)c1ccc(N)cc1 ZINC000302615229 592550411 /nfs/dbraw/zinc/55/04/11/592550411.db2.gz MCMQTTNLTPZOTH-UHFFFAOYSA-N 0 0 244.338 2.668 20 10 BFCDRN CC[C@@H](C)NC(=O)[C@H](C)Sc1nccs1 ZINC000194356794 634390554 /nfs/dbraw/zinc/39/05/54/634390554.db2.gz TUKVBGYACXRFLQ-SFYZADRCSA-N 0 0 244.385 2.538 20 10 BFCDRN CCOC(=O)CCCSc1nccs1 ZINC000194355798 634391431 /nfs/dbraw/zinc/39/14/31/634391431.db2.gz OLDMEBHBKKHGQP-UHFFFAOYSA-N 0 0 231.342 2.579 20 10 BFCDRN CC(C)(C)/C=C\C(=O)NCCc1ccc(N)cc1 ZINC000255496537 631791577 /nfs/dbraw/zinc/79/15/77/631791577.db2.gz QSDAEJOHSLUCCN-NTMALXAHSA-N 0 0 246.354 2.530 20 10 BFCDRN C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(F)cc1[O-] ZINC000309288914 631993755 /nfs/dbraw/zinc/99/37/55/631993755.db2.gz JFIOFBIJZYAQTM-VDDIYKPWSA-N 0 0 223.291 2.980 20 10 BFCDRN Cc1nsc(N[C@@H](C)c2ccccc2O)n1 ZINC000309748344 632664631 /nfs/dbraw/zinc/66/46/31/632664631.db2.gz GDCPCCYOOKAFRB-ZETCQYMHSA-N 0 0 235.312 2.725 20 10 BFCDRN Oc1ccccc1CNc1ncccc1F ZINC000162091781 633020882 /nfs/dbraw/zinc/02/08/82/633020882.db2.gz WNDQKFZEXOMJQR-UHFFFAOYSA-N 0 0 218.231 2.538 20 10 BFCDRN CCCC(C)(C)NC(=O)Nc1ccc(N)cc1 ZINC000169058053 633155192 /nfs/dbraw/zinc/15/51/92/633155192.db2.gz KAQZLQXNVXIXQM-UHFFFAOYSA-N 0 0 235.331 2.969 20 10 BFCDRN CC[C@@H]([NH2+]CCOC)c1cccc(Cl)c1[O-] ZINC000310038260 634102621 /nfs/dbraw/zinc/10/26/21/634102621.db2.gz VXLHOTSYHMPOEM-LLVKDONJSA-N 0 0 243.734 2.733 20 10 BFCDRN COc1ccc(N(C)CC2CCC(=O)CC2)cc1 ZINC000258936533 635225012 /nfs/dbraw/zinc/22/50/12/635225012.db2.gz PBXBVYHQWBPGQM-UHFFFAOYSA-N 0 0 247.338 2.891 20 10 BFCDRN CC1(C)CCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000094330402 635294415 /nfs/dbraw/zinc/29/44/15/635294415.db2.gz KNHLCVRKDLNDFD-GFCCVEGCSA-N 0 0 247.342 2.969 20 10 BFCDRN O=C(NCc1c(O)cccc1F)[C@H]1CC=CCC1 ZINC000928707827 636340737 /nfs/dbraw/zinc/34/07/37/636340737.db2.gz CMSGITWFWNNCSP-JTQLQIEISA-N 0 0 249.285 2.504 20 10 BFCDRN Clc1snnc1CSc1nccs1 ZINC000040676416 636938408 /nfs/dbraw/zinc/93/84/08/636938408.db2.gz QJSFPVDFKSOESW-UHFFFAOYSA-N 0 0 249.773 2.940 20 10 BFCDRN CCOc1ccc(N(C)CCOC(C)C)cc1 ZINC000150732308 640077721 /nfs/dbraw/zinc/07/77/21/640077721.db2.gz XZBNGPFLHNVSIY-UHFFFAOYSA-N 0 0 237.343 2.947 20 10 BFCDRN CC[N@H+](Cc1c(O)ccc2ccncc21)C1CC1 ZINC000912855097 640226491 /nfs/dbraw/zinc/22/64/91/640226491.db2.gz RACJFBVJMZSVNF-UHFFFAOYSA-N 0 0 242.322 2.925 20 10 BFCDRN CCc1cc(NCc2ccccc2O)nc(C)n1 ZINC000167223476 640707417 /nfs/dbraw/zinc/70/74/17/640707417.db2.gz PWBWOPMNCQDUEB-UHFFFAOYSA-N 0 0 243.310 2.665 20 10 BFCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1CC1 ZINC000157757110 640730926 /nfs/dbraw/zinc/73/09/26/640730926.db2.gz PCTBMJUYHKSLSB-UHFFFAOYSA-N 0 0 211.692 2.545 20 10 BFCDRN C[C@H]([NH2+]Cc1ccoc1)c1ccc(F)cc1[O-] ZINC000168736607 640822910 /nfs/dbraw/zinc/82/29/10/640822910.db2.gz SCNHNCOOJAGOPO-VIFPVBQESA-N 0 0 235.258 2.975 20 10 BFCDRN CSC1(C[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000228090378 640860695 /nfs/dbraw/zinc/86/06/95/640860695.db2.gz ZGTCVVMXPFNDBP-UHFFFAOYSA-N 0 0 241.331 2.517 20 10 BFCDRN CC(C)[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000171913502 641023376 /nfs/dbraw/zinc/02/33/76/641023376.db2.gz KFUCDHCCVWNSFG-GFCCVEGCSA-N 0 0 248.370 2.661 20 10 BFCDRN C[C@@H]([NH2+]Cc1ccco1)c1ccc(F)cc1[O-] ZINC000062744665 641083669 /nfs/dbraw/zinc/08/36/69/641083669.db2.gz STSHRRVPYWVILT-SECBINFHSA-N 0 0 235.258 2.975 20 10 BFCDRN CCOC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062748350 641090635 /nfs/dbraw/zinc/09/06/35/641090635.db2.gz IQONSKSADRUGQN-VHSXEESVSA-N 0 0 241.306 2.607 20 10 BFCDRN Clc1cnc(CSc2nccs2)cn1 ZINC000231291734 641155487 /nfs/dbraw/zinc/15/54/87/641155487.db2.gz MZNJVKRKPHXPHZ-UHFFFAOYSA-N 0 0 243.744 2.879 20 10 BFCDRN CCOc1ccc(N(C)CCOC2CC2)cc1 ZINC000929697848 641405905 /nfs/dbraw/zinc/40/59/05/641405905.db2.gz WEYRKSUNPGRGOD-UHFFFAOYSA-N 0 0 235.327 2.701 20 10 BFCDRN CCSCCN1CCc2cc(OC)ccc21 ZINC000159801028 641701845 /nfs/dbraw/zinc/70/18/45/641701845.db2.gz SFDRXIJIXAUZLU-UHFFFAOYSA-N 0 0 237.368 2.811 20 10 BFCDRN c1csc(SC[C@H]2C[C@@]23CCOC3)n1 ZINC000916759379 641975135 /nfs/dbraw/zinc/97/51/35/641975135.db2.gz LHLNCBRISSMKHB-PSASIEDQSA-N 0 0 227.354 2.662 20 10 BFCDRN CC(C)(CO)CSc1ncc(Cl)s1 ZINC000918096617 642169248 /nfs/dbraw/zinc/16/92/48/642169248.db2.gz WSNRSONBTHUFOW-UHFFFAOYSA-N 0 0 237.777 2.907 20 10 BFCDRN CCC/C=C\C(=O)NCc1ccc(N(C)C)cc1 ZINC000920430816 642504467 /nfs/dbraw/zinc/50/44/67/642504467.db2.gz CUNYLRMMOGTFJN-SREVYHEPSA-N 0 0 246.354 2.725 20 10 BFCDRN c1csc(SCc2ccncc2)n1 ZINC000064669737 642693531 /nfs/dbraw/zinc/69/35/31/642693531.db2.gz OQEPPWIHWUYTAA-UHFFFAOYSA-N 0 0 208.311 2.830 20 10 BFCDRN CCC(=O)[C@H](C)Sc1nccs1 ZINC000070236012 643000708 /nfs/dbraw/zinc/00/07/08/643000708.db2.gz XZFGKKBIWLHMFQ-LURJTMIESA-N 0 0 201.316 2.603 20 10 BFCDRN O=[N+]([O-])c1cnc(Sc2ccncc2)s1 ZINC000192502127 644157341 /nfs/dbraw/zinc/15/73/41/644157341.db2.gz WIHWEXFXGTZHFR-UHFFFAOYSA-N 0 0 239.281 2.598 20 10 BFCDRN CN(C)c1ccc(CN(C)CC(F)(F)F)cc1 ZINC000193740436 644276277 /nfs/dbraw/zinc/27/62/77/644276277.db2.gz IOTFMXLUMFFFEI-UHFFFAOYSA-N 0 0 246.276 2.747 20 10 BFCDRN C[C@@H]1C[C@@H]1CN(C)c1ccc2c(c1)OCO2 ZINC000754142562 644609693 /nfs/dbraw/zinc/60/96/93/644609693.db2.gz HNEVAMKNWSFFOB-NXEZZACHSA-N 0 0 219.284 2.508 20 10 BFCDRN CCC(CC)OC(=O)c1ccc(C)c(O)c1O ZINC000754809636 644612208 /nfs/dbraw/zinc/61/22/08/644612208.db2.gz UZWJIVJHHQRWMU-UHFFFAOYSA-N 0 0 238.283 2.752 20 10 BFCDRN COC[C@@H](C)CN1CCCc2cc(OC)ccc21 ZINC000783664323 644758297 /nfs/dbraw/zinc/75/82/97/644758297.db2.gz ITEVVJCLWVWPGM-LBPRGKRZSA-N 0 0 249.354 2.730 20 10 BFCDRN CC(=O)C(=O)CSc1cccc(Cl)c1 ZINC000808021130 644870500 /nfs/dbraw/zinc/87/05/00/644870500.db2.gz ATUYCXHHVDPMBP-UHFFFAOYSA-N 0 0 228.700 2.590 20 10 BFCDRN CC[C@H](COc1ccc(N(C)C)cc1)OC ZINC000842043359 645238704 /nfs/dbraw/zinc/23/87/04/645238704.db2.gz KELXDHWLFUZONT-GFCCVEGCSA-N 0 0 223.316 2.556 20 10 BFCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1(C)CC1 ZINC000703394119 712075004 /nfs/dbraw/zinc/07/50/04/712075004.db2.gz FXCJZGRHXGOUMN-QMMMGPOBSA-N 0 0 241.281 2.949 20 10 BFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1CCC1 ZINC000708394393 712192344 /nfs/dbraw/zinc/19/23/44/712192344.db2.gz YQIYPMSQXNEMIQ-UHFFFAOYSA-N 0 0 227.254 2.560 20 10 BFCDRN C[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708397331 712192878 /nfs/dbraw/zinc/19/28/78/712192878.db2.gz BJCWANUWJZFENW-MRVPVSSYSA-N 0 0 227.254 2.655 20 10 BFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1CCCC1 ZINC000708442486 712195266 /nfs/dbraw/zinc/19/52/66/712195266.db2.gz MMVFVGPBQKXWKM-UHFFFAOYSA-N 0 0 241.281 2.950 20 10 BFCDRN CCCCOC(=O)CSc1nccs1 ZINC000042290606 712720167 /nfs/dbraw/zinc/72/01/67/712720167.db2.gz QACUHNXWSKMNSO-UHFFFAOYSA-N 0 0 231.342 2.579 20 10 BFCDRN C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(F)cc1[O-] ZINC000393502895 710609166 /nfs/dbraw/zinc/60/91/66/710609166.db2.gz VRYBFHRNQARMPX-DTWKUNHWSA-N 0 0 229.270 2.930 20 10 BFCDRN CC(C)(NCc1cc(F)ccc1O)C(F)F ZINC000381395402 710632299 /nfs/dbraw/zinc/63/22/99/710632299.db2.gz OPLIZUNARPVHSL-UHFFFAOYSA-N 0 0 233.233 2.665 20 10 BFCDRN COc1ccc(CNCC(C)(F)F)cc1C ZINC000382111157 710787856 /nfs/dbraw/zinc/78/78/56/710787856.db2.gz DUVQWNNVBIUPNF-UHFFFAOYSA-N 0 0 229.270 2.748 20 10 BFCDRN CC(C)C[C@@H]1C[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000385359403 711011149 /nfs/dbraw/zinc/01/11/49/711011149.db2.gz 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BFCDRN CC(C)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703296273 712071163 /nfs/dbraw/zinc/07/11/63/712071163.db2.gz QZDHGWIXJFBXPW-MRVPVSSYSA-N 0 0 229.270 2.805 20 10 BFCDRN [O-]c1c(C[NH2+]CC2CCC2)ccc(F)c1F ZINC000703296370 712071334 /nfs/dbraw/zinc/07/13/34/712071334.db2.gz SSPREGRHSLFRAT-UHFFFAOYSA-N 0 0 227.254 2.560 20 10 BFCDRN CCC(C)(C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703307898 712072068 /nfs/dbraw/zinc/07/20/68/712072068.db2.gz LHCMVHUNMGCCKS-UHFFFAOYSA-N 0 0 229.270 2.949 20 10 BFCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1CCC1 ZINC000703343016 712072676 /nfs/dbraw/zinc/07/26/76/712072676.db2.gz ZCBGSXFBSORWLP-QMMMGPOBSA-N 0 0 241.281 2.949 20 10 BFCDRN C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000703348744 712072784 /nfs/dbraw/zinc/07/27/84/712072784.db2.gz RCKIACSDGYPJJX-MRVPVSSYSA-N 0 0 241.281 2.806 20 10 BFCDRN CC(C)(F)CC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703416577 712074507 /nfs/dbraw/zinc/07/45/07/712074507.db2.gz CFAKOOLKBRECSE-UHFFFAOYSA-N 0 0 247.260 2.898 20 10 BFCDRN C[C@H]1C[C@H](C)[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703483448 712076409 /nfs/dbraw/zinc/07/64/09/712076409.db2.gz RBTVFWADDCHXQX-IUCAKERBSA-N 0 0 241.281 2.901 20 10 BFCDRN C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703483451 712076562 /nfs/dbraw/zinc/07/65/62/712076562.db2.gz RBTVFWADDCHXQX-RKDXNWHRSA-N 0 0 241.281 2.901 20 10 BFCDRN C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703483446 712076667 /nfs/dbraw/zinc/07/66/67/712076667.db2.gz RBTVFWADDCHXQX-DTWKUNHWSA-N 0 0 241.281 2.901 20 10 BFCDRN CN(Cc1ccccc1O)C(=O)OC1CCC1 ZINC000322155310 712091684 /nfs/dbraw/zinc/09/16/84/712091684.db2.gz ULSRFYHLHHHBMV-UHFFFAOYSA-N 0 0 235.283 2.513 20 10 BFCDRN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCc1ccccc1O ZINC000704087852 712099803 /nfs/dbraw/zinc/09/98/03/712099803.db2.gz FQBCDZOHSTVHNJ-VXGBXAGGSA-N 0 0 247.338 2.691 20 10 BFCDRN C[C@@H]1C[C@H](C)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708402883 712192850 /nfs/dbraw/zinc/19/28/50/712192850.db2.gz XHOUNLIXZGTIDO-BDAKNGLRSA-N 0 0 241.281 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Cc1ccnc(F)c1Nc1cccc(O)c1O ZINC001212558349 967873266 /nfs/dbraw/zinc/87/32/66/967873266.db2.gz FGPHKUQRISFWDN-UHFFFAOYSA-N 0 0 234.230 2.684 20 10 BFCDRN CCC(F)(F)CNCc1ccccc1O ZINC000697577456 968015193 /nfs/dbraw/zinc/01/51/93/968015193.db2.gz KSYRAVLWGBJKEC-UHFFFAOYSA-N 0 0 215.243 2.527 20 10 BFCDRN CC(C)(C)n1cc(Nc2cccc(O)c2O)cn1 ZINC001212571431 968067155 /nfs/dbraw/zinc/06/71/55/968067155.db2.gz RNLMPKVDOUDKCR-UHFFFAOYSA-N 0 0 247.298 2.793 20 10 BFCDRN Oc1cccc(Nc2ccc3c(c2)OCC3)c1O ZINC001206683134 968430778 /nfs/dbraw/zinc/43/07/78/968430778.db2.gz CCZCGXYZSJIDSH-UHFFFAOYSA-N 0 0 243.262 2.776 20 10 BFCDRN COc1ncc(-c2nccc3c2ccn3C)s1 ZINC001241410141 968993733 /nfs/dbraw/zinc/99/37/33/968993733.db2.gz CIDUYIVMKXJHJT-UHFFFAOYSA-N 0 0 245.307 2.705 20 10 BFCDRN COc1ccc(C[N@H+](C)C(C)(C)C)c(O)c1 ZINC000381929209 969168027 /nfs/dbraw/zinc/16/80/27/969168027.db2.gz PGDJRTVWEXDMDB-UHFFFAOYSA-N 0 0 223.316 2.631 20 10 BFCDRN C[C@@H](NC(=O)N[C@H]1CC[C@@H]1C)c1ccccc1O ZINC001329578726 969407779 /nfs/dbraw/zinc/40/77/79/969407779.db2.gz UXWKUVDOZKXIDW-UMNHJUIQSA-N 0 0 248.326 2.551 20 10 BFCDRN CN(c1ccc(N)cc1)c1cc(F)ccc1CO ZINC001210189117 969824184 /nfs/dbraw/zinc/82/41/84/969824184.db2.gz PUAFSCBVYZLRMZ-UHFFFAOYSA-N 0 0 246.285 2.668 20 10 BFCDRN COc1ncc(Nc2ccc(N)cc2)cc1C ZINC001210317388 969863856 /nfs/dbraw/zinc/86/38/56/969863856.db2.gz QUPKFPFZIGFBEC-UHFFFAOYSA-N 0 0 229.283 2.724 20 10 BFCDRN CC(C)n1cc(N(C)c2ccc(N)cc2)cn1 ZINC001210325228 969868883 /nfs/dbraw/zinc/86/88/83/969868883.db2.gz LFONYZMWNPVIMP-UHFFFAOYSA-N 0 0 230.315 2.814 20 10 BFCDRN Nc1ccc(Nc2cnn(C(F)(F)F)c2)cc1 ZINC001210362694 969878842 /nfs/dbraw/zinc/87/88/42/969878842.db2.gz VXRVHNINXKQVBF-UHFFFAOYSA-N 0 0 242.204 2.685 20 10 BFCDRN Nc1ccc(Nc2ccc(CO)c(F)c2)cc1 ZINC001210488181 969905607 /nfs/dbraw/zinc/90/56/07/969905607.db2.gz WOZRPRFNUQZGIT-UHFFFAOYSA-N 0 0 232.258 2.644 20 10 BFCDRN Cc1cc(CO)ccc1Nc1ccc(N)cc1 ZINC001214667093 970528022 /nfs/dbraw/zinc/52/80/22/970528022.db2.gz QMRVUNYBOZFBMH-UHFFFAOYSA-N 0 0 228.295 2.813 20 10 BFCDRN CCCCCc1nnc(-c2cccc(O)c2O)o1 ZINC001256068375 970635912 /nfs/dbraw/zinc/63/59/12/970635912.db2.gz RGQWBXCVTXLNDY-UHFFFAOYSA-N 0 0 248.282 2.881 20 10 BFCDRN COc1cc(CO)ccc1Nc1ccc(N)cc1 ZINC001215210088 970668953 /nfs/dbraw/zinc/66/89/53/970668953.db2.gz ISQREFPDFAHXIP-UHFFFAOYSA-N 0 0 244.294 2.513 20 10 BFCDRN Cc1ccc(C(=O)OCC2CC=CC2)c(O)c1O ZINC001327942163 972823367 /nfs/dbraw/zinc/82/33/67/972823367.db2.gz ZLXYGGKTNZDYQV-UHFFFAOYSA-N 0 0 248.278 2.529 20 10 BFCDRN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(O)c1O ZINC000126227298 973073498 /nfs/dbraw/zinc/07/34/98/973073498.db2.gz JINBFOLGDMIDTF-NXEZZACHSA-N 0 0 249.310 2.501 20 10 BFCDRN CCO[C@@H](CN(C)c1ccc(OC)cc1)C1CC1 ZINC001328802790 973350835 /nfs/dbraw/zinc/35/08/35/973350835.db2.gz DTQSAXLKEHMBBN-HNNXBMFYSA-N 0 0 249.354 2.947 20 10 BFCDRN CN(Cc1cc(F)ccc1O)CC(F)(F)F ZINC000234281622 973483132 /nfs/dbraw/zinc/48/31/32/973483132.db2.gz BTQLDKZRXIHXOG-UHFFFAOYSA-N 0 0 237.196 2.525 20 10 BFCDRN Cc1csc(NC(=O)c2cccc(O)c2O)c1 ZINC001148212202 973812538 /nfs/dbraw/zinc/81/25/38/973812538.db2.gz QPPOXHPRUASCMF-UHFFFAOYSA-N 0 0 249.291 2.720 20 10 BFCDRN C[C@H](NC(=O)N[C@@H]1CC[C@H]1C)c1ccccc1O ZINC001329961065 974054927 /nfs/dbraw/zinc/05/49/27/974054927.db2.gz UXWKUVDOZKXIDW-JFGNBEQYSA-N 0 0 248.326 2.551 20 10 BFCDRN CN(c1ccc(N)cc1)c1cc(F)cc(CO)c1 ZINC001212749711 975503840 /nfs/dbraw/zinc/50/38/40/975503840.db2.gz TUTRTYHRUCUHGF-UHFFFAOYSA-N 0 0 246.285 2.668 20 10 BFCDRN CCCOC[C@@H](C)Oc1ccc(N(C)C)cc1 ZINC001227939060 975801489 /nfs/dbraw/zinc/80/14/89/975801489.db2.gz JZGBBKNDWQPXOT-GFCCVEGCSA-N 0 0 237.343 2.947 20 10 BFCDRN C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1c([O-])cccc1F ZINC001333466910 975802682 /nfs/dbraw/zinc/80/26/82/975802682.db2.gz OGIQNPHLXKDLFB-ATZCPNFKSA-N 0 0 223.291 2.980 20 10 BFCDRN C[C@@H](Oc1ccc(N(C)C)cc1)C1CC1 ZINC001227941004 975804860 /nfs/dbraw/zinc/80/48/60/975804860.db2.gz QFRTVTVZNOGIMW-SNVBAGLBSA-N 0 0 205.301 2.930 20 10 BFCDRN CN(C)c1ccc(OC[C@@H]2CCC=CO2)cc1 ZINC001227941183 975805059 /nfs/dbraw/zinc/80/50/59/975805059.db2.gz RXCMYLQCWLZCBM-AWEZNQCLSA-N 0 0 233.311 2.824 20 10 BFCDRN Nc1ccc(Nc2cccc3n[nH]cc32)cc1 ZINC001174345628 976574898 /nfs/dbraw/zinc/57/48/98/976574898.db2.gz JURGNVXLPOIKJN-UHFFFAOYSA-N 0 0 224.267 2.889 20 10 BFCDRN Cc1c[nH+]ccc1Nc1cccc(Cl)c1O ZINC001174539686 976829114 /nfs/dbraw/zinc/82/91/14/976829114.db2.gz PTYDTFLSRYZYDL-UHFFFAOYSA-N 0 0 234.686 2.915 20 10 BFCDRN Oc1cccc(Nc2ccc3cn[nH]c3c2)c1O ZINC001174502302 976836186 /nfs/dbraw/zinc/83/61/86/976836186.db2.gz YHLJZTNMOMDDOW-UHFFFAOYSA-N 0 0 241.250 2.718 20 10 BFCDRN Cc1cc(O)ccc1Nc1cccc(O)c1O ZINC001174564792 976879393 /nfs/dbraw/zinc/87/93/93/976879393.db2.gz VTNWJQBCBMWVIH-UHFFFAOYSA-N 0 0 231.251 2.855 20 10 BFCDRN CN(c1ccc(N)cc1)c1cc(F)ccc1O ZINC001174630383 976900092 /nfs/dbraw/zinc/90/00/92/976900092.db2.gz TXTOLTJUYOGNBC-UHFFFAOYSA-N 0 0 232.258 2.881 20 10 BFCDRN Cc1ccc(N(C)c2ccc(N)cc2)cc1N ZINC001174936339 977177011 /nfs/dbraw/zinc/17/70/11/977177011.db2.gz AZMQZLXPLGPXQU-UHFFFAOYSA-N 0 0 227.311 2.927 20 10 BFCDRN Cc1cccc(CN2C[C@@H](F)C[C@H]2CF)c1O ZINC001231590582 977644646 /nfs/dbraw/zinc/64/46/46/977644646.db2.gz BKQFQPZADWARGT-RYUDHWBXSA-N 0 0 241.281 2.583 20 10 BFCDRN CCOc1ccc(N(C)c2ccc(N)cc2)cn1 ZINC001175743860 977684281 /nfs/dbraw/zinc/68/42/81/977684281.db2.gz LCZLASSTLYFBJP-UHFFFAOYSA-N 0 0 243.310 2.830 20 10 BFCDRN CC(=O)[C@@H]1CCC[N@@H+]1Cc1c(C)cc(C)cc1O ZINC001231848445 977771507 /nfs/dbraw/zinc/77/15/07/977771507.db2.gz IBEDMFNAPVQLDT-AWEZNQCLSA-N 0 0 247.338 2.562 20 10 BFCDRN Oc1c(CN2CC(F)(F)C2)ccc2ccccc21 ZINC001231878552 977785572 /nfs/dbraw/zinc/78/55/72/977785572.db2.gz OLOUMYHKTRWNDB-UHFFFAOYSA-N 0 0 249.260 2.996 20 10 BFCDRN CCC[C@H](CC)NC(=O)NCc1ccc(N)cc1 ZINC001337015321 978125277 /nfs/dbraw/zinc/12/52/77/978125277.db2.gz IOLPKXHXFNFQBV-ZDUSSCGKSA-N 0 0 249.358 2.647 20 10 BFCDRN COc1ccc(N(C)Cc2cc(C)n[nH]2)cc1F ZINC001337466748 978352931 /nfs/dbraw/zinc/35/29/31/978352931.db2.gz KVTDQYXEIMKNAB-UHFFFAOYSA-N 0 0 249.289 2.502 20 10 BFCDRN [O-]c1c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)ccc(F)c1F ZINC001233077873 978463043 /nfs/dbraw/zinc/46/30/43/978463043.db2.gz AUFKTUFUIUCPPE-WCBMZHEXSA-N 0 0 239.265 2.655 20 10 BFCDRN [O-]c1c(C[NH+]2CC3CC(C3)C2)ccc(F)c1F ZINC001233079108 978464020 /nfs/dbraw/zinc/46/40/20/978464020.db2.gz WBCKUZNSXWLJFD-UHFFFAOYSA-N 0 0 239.265 2.512 20 10 BFCDRN CCN1CCc2cc(OC(C)C)ccc21 ZINC001233607277 978645606 /nfs/dbraw/zinc/64/56/06/978645606.db2.gz KENVGZQOLGGXAT-UHFFFAOYSA-N 0 0 205.301 2.856 20 10 BFCDRN CCN1CCc2cc(O[C@H]3CCCOC3)ccc21 ZINC001233606279 978646757 /nfs/dbraw/zinc/64/67/57/978646757.db2.gz AZGHTMZDACIDTJ-AWEZNQCLSA-N 0 0 247.338 2.627 20 10 BFCDRN CCC[C@H](CN1CCc2cc(OC)ccc21)OC ZINC001180297382 978861131 /nfs/dbraw/zinc/86/11/31/978861131.db2.gz VQHCYWDSGGTJGB-CQSZACIVSA-N 0 0 249.354 2.873 20 10 BFCDRN CCc1ccc(CN2CCC(=O)C[C@@H]2C)c(O)c1 ZINC001236782901 979725708 /nfs/dbraw/zinc/72/57/08/979725708.db2.gz GPYVTKDYRREVMO-NSHDSACASA-N 0 0 247.338 2.508 20 10 BFCDRN CCc1ccc(C[N@@H+]2CC[C@@H](C)C2)c(O)c1 ZINC001236783590 979734894 /nfs/dbraw/zinc/73/48/94/979734894.db2.gz MPHRMDDRRQWNBN-LLVKDONJSA-N 0 0 219.328 2.796 20 10 BFCDRN CCC[N@H+](C)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236805571 979736293 /nfs/dbraw/zinc/73/62/93/979736293.db2.gz IDGFXTZRJFUYHS-UHFFFAOYSA-N 0 0 243.734 2.896 20 10 BFCDRN CC(C)c1ccc(CN2CCCO2)c(O)c1 ZINC001237046668 979808886 /nfs/dbraw/zinc/80/88/86/979808886.db2.gz VFBAAGIXEPHWLP-UHFFFAOYSA-N 0 0 221.300 2.653 20 10 BFCDRN Cc1cccc(O)c1C[N@@H+]1CCCC(=O)[C@H](C)C1 ZINC001237481188 979911560 /nfs/dbraw/zinc/91/15/60/979911560.db2.gz DJOMLDWCDACKME-GFCCVEGCSA-N 0 0 247.338 2.502 20 10 BFCDRN C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC1CCC1 ZINC001184135388 979947222 /nfs/dbraw/zinc/94/72/22/979947222.db2.gz PWVJEHURTOVKFF-UHFFFAOYSA-N 0 0 241.281 2.902 20 10 BFCDRN Fc1cnccc1CSc1nccs1 ZINC001188659409 980679244 /nfs/dbraw/zinc/67/92/44/980679244.db2.gz CINNHYRNVBDATH-UHFFFAOYSA-N 0 0 226.301 2.970 20 10 BFCDRN C[C@H]1CC/C(=C\C(=O)NCc2ccc(N)cc2)C1 ZINC001346210772 980786224 /nfs/dbraw/zinc/78/62/24/980786224.db2.gz YSTKFKLVVTUCMU-GJSJWPQCSA-N 0 0 244.338 2.631 20 10 BFCDRN Cc1nn(C)c(C)c1-c1nccc2c1ccn2C ZINC001240140447 981139551 /nfs/dbraw/zinc/13/95/51/981139551.db2.gz RWPBUBDOPFCRQQ-UHFFFAOYSA-N 0 0 240.310 2.591 20 10 BFCDRN Cn1ccc2ncc(-c3ccc4nccn4c3)cc21 ZINC001240218423 981170953 /nfs/dbraw/zinc/17/09/53/981170953.db2.gz CRRQVMIEVDJVMV-UHFFFAOYSA-N 0 0 248.289 2.888 20 10 BFCDRN CCCCCOC(=O)NCc1ccccc1O ZINC001193776752 981430706 /nfs/dbraw/zinc/43/07/06/981430706.db2.gz ALCGDCDALZIATJ-UHFFFAOYSA-N 0 0 237.299 2.809 20 10 BFCDRN Cn1ccc2ccc(-c3cccn4ncnc34)cc21 ZINC001240574016 981485419 /nfs/dbraw/zinc/48/54/19/981485419.db2.gz ORRRSGMCOUCNIR-UHFFFAOYSA-N 0 0 248.289 2.888 20 10 BFCDRN Cc1ncccc1-c1nccc2c1ccn2C ZINC001240718608 981741511 /nfs/dbraw/zinc/74/15/11/981741511.db2.gz CYNYANPBXYCSTB-UHFFFAOYSA-N 0 0 223.279 2.944 20 10 BFCDRN Cc1ccc(O)c(CNC(=O)c2ccsc2)c1 ZINC001584983485 981898390 /nfs/dbraw/zinc/89/83/90/981898390.db2.gz MCJWHSVMLSERDK-UHFFFAOYSA-N 0 0 247.319 2.692 20 10 BFCDRN CC[C@H](C)OC(=O)N[C@H](C)c1ccccc1O ZINC001195145760 982125982 /nfs/dbraw/zinc/12/59/82/982125982.db2.gz XOLNTDRKAQQETH-VHSXEESVSA-N 0 0 237.299 2.978 20 10 BFCDRN Cn1ccc2c1cccc2-c1cncc(N)c1 ZINC001241821219 983074731 /nfs/dbraw/zinc/07/47/31/983074731.db2.gz BMYYOWXNFPLVSQ-UHFFFAOYSA-N 0 0 223.279 2.823 20 10 BFCDRN COc1ncncc1-c1cccc2c1ccn2C ZINC001241822255 983075897 /nfs/dbraw/zinc/07/58/97/983075897.db2.gz HYDXTJCTPXQNNZ-UHFFFAOYSA-N 0 0 239.278 2.644 20 10 BFCDRN Cn1ccc2c1cccc2-c1c(N)cncc1F ZINC001241821297 983075921 /nfs/dbraw/zinc/07/59/21/983075921.db2.gz BHGRBZKTKBGMGX-UHFFFAOYSA-N 0 0 241.269 2.962 20 10 BFCDRN Cn1ccc2c1cccc2-c1ccnnc1 ZINC001241822901 983076629 /nfs/dbraw/zinc/07/66/29/983076629.db2.gz SDGSQFZDEAABJQ-UHFFFAOYSA-N 0 0 209.252 2.635 20 10 BFCDRN Cn1ccc2c1cccc2-c1cccn2ncnc12 ZINC001241821664 983077536 /nfs/dbraw/zinc/07/75/36/983077536.db2.gz IWMGQGLTSGZTFY-UHFFFAOYSA-N 0 0 248.289 2.888 20 10 BFCDRN Cn1ccc2c1nccc2-c1cnn(C2CC2)c1 ZINC001241910571 983125475 /nfs/dbraw/zinc/12/54/75/983125475.db2.gz WWULRDUPSOGDBR-UHFFFAOYSA-N 0 0 238.294 2.772 20 10 BFCDRN Oc1cccc(NC2=CCSCC2)c1O ZINC001201342979 983195309 /nfs/dbraw/zinc/19/53/09/983195309.db2.gz YGVBPBXATGOHFB-UHFFFAOYSA-N 0 0 223.297 2.531 20 10 BFCDRN CN(C)c1ccc(C2=CCOCC2)cc1 ZINC001242076563 983323851 /nfs/dbraw/zinc/32/38/51/983323851.db2.gz WVDIRXUYRAGYTJ-UHFFFAOYSA-N 0 0 203.285 2.556 20 10 BFCDRN CN(c1cnn(C(F)F)c1)c1ccc(N)cc1 ZINC001201744544 983447599 /nfs/dbraw/zinc/44/75/99/983447599.db2.gz PKMSJGWBUHQEGF-UHFFFAOYSA-N 0 0 238.241 2.628 20 10 BFCDRN CCC/C(C)=C\C(=O)NCc1ccc(N)cc1 ZINC001356227448 983588364 /nfs/dbraw/zinc/58/83/64/983588364.db2.gz IEPYKQNHBLGWNH-LUAWRHEFSA-N 0 0 232.327 2.631 20 10 BFCDRN CC(C)=C(C)CC(=O)NCc1ccc(N)cc1 ZINC001356229496 983589382 /nfs/dbraw/zinc/58/93/82/983589382.db2.gz ZHKXHFYBIHVAKA-UHFFFAOYSA-N 0 0 232.327 2.631 20 10 BFCDRN Cc1ncc(-c2cnc3ccn(C)c3c2)cc1N ZINC001242413600 983726984 /nfs/dbraw/zinc/72/69/84/983726984.db2.gz VIOZLXJERANUMH-UHFFFAOYSA-N 0 0 238.294 2.526 20 10 BFCDRN CCC[C@H](O)CNc1ccccc1OCC ZINC001252790946 983889172 /nfs/dbraw/zinc/88/91/72/983889172.db2.gz KSQBXOMZGDSAED-NSHDSACASA-N 0 0 223.316 2.658 20 10 BFCDRN Cc1cnc(F)cc1Nc1ccc(N)cc1 ZINC001212851786 985228695 /nfs/dbraw/zinc/22/86/95/985228695.db2.gz JAQXMRXHOMDQLE-UHFFFAOYSA-N 0 0 217.247 2.855 20 10 BFCDRN Cc1cc2c(cccc2-c2cnc(N)nc2)n1C ZINC001243877896 985551512 /nfs/dbraw/zinc/55/15/12/985551512.db2.gz HKXSAEXFEOTIRS-UHFFFAOYSA-N 0 0 238.294 2.526 20 10 BFCDRN CN(C(=O)C1CCC=CCC1)c1ccc(N)cc1 ZINC000718119777 985795075 /nfs/dbraw/zinc/79/50/75/985795075.db2.gz PSJNUEXNFMTJSA-UHFFFAOYSA-N 0 0 244.338 2.978 20 10 BFCDRN Cn1ccc2c1ccnc2-c1cc(F)ccc1N ZINC001244393634 986037606 /nfs/dbraw/zinc/03/76/06/986037606.db2.gz JCTUICBCQJDESI-UHFFFAOYSA-N 0 0 241.269 2.962 20 10 BFCDRN CCn1ccc(-c2cc(C)cc(C)c2N)cc1=O ZINC001244616041 986281734 /nfs/dbraw/zinc/28/17/34/986281734.db2.gz JHVCXKSBHRFUKX-UHFFFAOYSA-N 0 0 242.322 2.734 20 10 BFCDRN Cc1coc(C[NH2+]Cc2c([O-])cccc2F)c1 ZINC001462587156 986442085 /nfs/dbraw/zinc/44/20/85/986442085.db2.gz FUSFAQGKHQQCJE-UHFFFAOYSA-N 0 0 235.258 2.723 20 10 BFCDRN Cc1cncnc1NCc1cccc(Cl)c1O ZINC001472898863 987301513 /nfs/dbraw/zinc/30/15/13/987301513.db2.gz IHZFRJPALLSUDQ-UHFFFAOYSA-N 0 0 249.701 2.756 20 10 BFCDRN CCC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001473938436 987620605 /nfs/dbraw/zinc/62/06/05/987620605.db2.gz NRMWNIXPSLYEMS-SECBINFHSA-N 0 0 238.287 2.579 20 10 BFCDRN C=C/C=C/CC[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001474689723 987800430 /nfs/dbraw/zinc/80/04/30/987800430.db2.gz ZNVXDVFZCXGYST-ONEGZZNKSA-N 0 0 239.265 2.892 20 10 BFCDRN C[C@@H](NC(=O)CC1(C)CC1)c1ccccc1O ZINC001119108542 988840311 /nfs/dbraw/zinc/84/03/11/988840311.db2.gz GTOYCABPFZABGM-SNVBAGLBSA-N 0 0 233.311 2.760 20 10 BFCDRN C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137831564 990853954 /nfs/dbraw/zinc/85/39/54/990853954.db2.gz FGOJIFWSMJHVHA-SNVBAGLBSA-N 0 0 223.291 2.763 20 10 BFCDRN [O-]c1cccc(F)c1C[NH+]1CCC(F)(F)CC1 ZINC001137831850 990855222 /nfs/dbraw/zinc/85/52/22/990855222.db2.gz PTENUPOYZQVBOY-UHFFFAOYSA-N 0 0 245.244 2.762 20 10 BFCDRN CC[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1F ZINC001137837659 990858220 /nfs/dbraw/zinc/85/82/20/990858220.db2.gz QASZLIYRGDHWLK-JTQLQIEISA-N 0 0 223.291 2.906 20 10 BFCDRN C[N@@H+](Cc1cccc(F)c1[O-])CC1CCC1 ZINC001138127930 990886700 /nfs/dbraw/zinc/88/67/00/990886700.db2.gz WRZBOTISPRMHBQ-UHFFFAOYSA-N 0 0 223.291 2.763 20 10 BFCDRN CC(C)=CC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001590924877 990923136 /nfs/dbraw/zinc/92/31/36/990923136.db2.gz OSXSUNHAQJEAGC-JTQLQIEISA-N 0 0 249.310 2.707 20 10 BFCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CC2(CCC2)C1 ZINC001139680757 991312959 /nfs/dbraw/zinc/31/29/59/991312959.db2.gz 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398104624 /nfs/dbraw/zinc/10/46/24/398104624.db2.gz YNRNAMPWKLFPPK-ZDUSSCGKSA-N 0 0 248.326 2.557 20 10 BFCDRN CC(C)CC[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000036797522 166901824 /nfs/dbraw/zinc/90/18/24/166901824.db2.gz ZTVHEWIOWLBEJW-LBPRGKRZSA-N 0 0 248.370 2.752 20 10 BFCDRN CC(C)CN(C(=O)Nc1ccc(N)cc1)C1CC1 ZINC000042560019 166925213 /nfs/dbraw/zinc/92/52/13/166925213.db2.gz IODPBUQJNVOAFJ-UHFFFAOYSA-N 0 0 247.342 2.921 20 10 BFCDRN CC1(C)[C@@H]2C[N@@H+](Cc3cccc(F)c3[O-])C[C@@H]21 ZINC000272323302 168013241 /nfs/dbraw/zinc/01/32/41/168013241.db2.gz UXHXEZABCXJZKB-PHIMTYICSA-N 0 0 235.302 2.619 20 10 BFCDRN CC1(NC(=O)Cc2ccc(N)cc2)CCCCC1 ZINC000045024433 168056355 /nfs/dbraw/zinc/05/63/55/168056355.db2.gz WVKOHWUFHVAIAA-UHFFFAOYSA-N 0 0 246.354 2.650 20 10 BFCDRN CC1CC([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296877139 168148173 /nfs/dbraw/zinc/14/81/73/168148173.db2.gz OAOVUZRAVHPPJY-NHNAUAITSA-N 0 0 217.312 2.768 20 10 BFCDRN CC[C@@H](C)CN(CC)C(=O)Cc1ccc(N)cc1 ZINC000093249481 170701201 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0 0 245.269 2.536 20 10 BFCDRN CCC[C@@H](CC)NC(=O)Cc1ccc(N)cc1 ZINC000050398880 169376328 /nfs/dbraw/zinc/37/63/28/169376328.db2.gz PXSLLQZJXDZACD-CYBMUJFWSA-N 0 0 234.343 2.506 20 10 BFCDRN CC[C@@H](C)C[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000088291746 383891589 /nfs/dbraw/zinc/89/15/89/383891589.db2.gz DAEWHJAUDJURFA-VXGBXAGGSA-N 0 0 248.370 2.752 20 10 BFCDRN C[C@H](N[C@@H]1CCc2cccc(O)c21)C(F)(F)F ZINC000296240938 383986847 /nfs/dbraw/zinc/98/68/47/383986847.db2.gz AVEQREJFZNPVPB-IONNQARKSA-N 0 0 245.244 2.920 20 10 BFCDRN C[C@H](CCCCO)[NH2+][C@@H](C)c1ccccc1O ZINC000296266966 384009956 /nfs/dbraw/zinc/00/99/56/384009956.db2.gz DMIOAKUXFAVNIE-NEPJUHHUSA-N 0 0 237.343 2.594 20 10 BFCDRN C[C@H]([NH2+]C1CCC1)c1ccc(F)c(F)c1[O-] ZINC000276976289 384627900 /nfs/dbraw/zinc/62/79/00/384627900.db2.gz VAIDOAGJWKEEIF-ZETCQYMHSA-N 0 0 227.254 2.874 20 10 BFCDRN COCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000081706117 384630347 /nfs/dbraw/zinc/63/03/47/384630347.db2.gz HDXPSLIPRGELAV-UWVGGRQHSA-N 0 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CC(C)(C)C(=O)OCSc1nccs1 ZINC000179891313 385498928 /nfs/dbraw/zinc/49/89/28/385498928.db2.gz JOKSSHZPAFSGMN-UHFFFAOYSA-N 0 0 231.342 2.782 20 10 BFCDRN CCC[C@H](Sc1nccs1)C(=O)OCC ZINC000115896047 385570432 /nfs/dbraw/zinc/57/04/32/385570432.db2.gz MYCVZMFJUVDBJM-QMMMGPOBSA-N 0 0 245.369 2.967 20 10 BFCDRN CO[C@@H](C)COc1ccc(N2CCCC2)cc1 ZINC000181682016 385593711 /nfs/dbraw/zinc/59/37/11/385593711.db2.gz QIANBTJDDLRACM-LBPRGKRZSA-N 0 0 235.327 2.701 20 10 BFCDRN C[C@H](C1CC1)[N@H+](C)Cc1cccc(F)c1[O-] ZINC000272345011 385895783 /nfs/dbraw/zinc/89/57/83/385895783.db2.gz ZKLTWAKJYXRKBF-SECBINFHSA-N 0 0 223.291 2.762 20 10 BFCDRN CC[C@@H](C)[C@@H](C)C(=O)NCc1ccccc1O ZINC000272477879 385906647 /nfs/dbraw/zinc/90/66/47/385906647.db2.gz FQINWYJMNZREIJ-GHMZBOCLSA-N 0 0 235.327 2.691 20 10 BFCDRN CC(C)c1noc(N(C)Cc2ccccc2O)n1 ZINC000276331111 386301776 /nfs/dbraw/zinc/30/17/76/386301776.db2.gz RHVGOXZXVVTFRL-UHFFFAOYSA-N 0 0 247.298 2.535 20 10 BFCDRN CC(=O)C(=O)CSCc1cc(C)ccc1C ZINC000289772342 386352229 /nfs/dbraw/zinc/35/22/29/386352229.db2.gz WJDFWHZXAXFHBN-UHFFFAOYSA-N 0 0 236.336 2.695 20 10 BFCDRN CO[C@@H](C)C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000289545241 386327295 /nfs/dbraw/zinc/32/72/95/386327295.db2.gz IGIMSKCFQWLNOK-VIFPVBQESA-N 0 0 243.734 2.512 20 10 BFCDRN C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(F)c(F)c1[O-] ZINC000276928937 386392199 /nfs/dbraw/zinc/39/21/99/386392199.db2.gz NYDGXKMSCKXDRL-HRDYMLBCSA-N 0 0 241.281 2.977 20 10 BFCDRN CCC1(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000267175086 386502947 /nfs/dbraw/zinc/50/29/47/386502947.db2.gz FJNOIERGZIZUQH-UHFFFAOYSA-N 0 0 246.354 2.559 20 10 BFCDRN C[N@@H+](Cc1ccccc1O)C[C@@H]1CCSC1 ZINC000278368861 386518260 /nfs/dbraw/zinc/51/82/60/386518260.db2.gz BPNYWJJCNVAIQH-NSHDSACASA-N 0 0 237.368 2.577 20 10 BFCDRN CC[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])OC ZINC000290150439 386829955 /nfs/dbraw/zinc/82/99/55/386829955.db2.gz LFKDZSHEJVOJEG-KOLCDFICSA-N 0 0 241.306 2.607 20 10 BFCDRN C[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])[C@H]1C ZINC000272534279 389032584 /nfs/dbraw/zinc/03/25/84/389032584.db2.gz ZXZOYVNTKIUZEZ-ZJUUUORDSA-N 0 0 223.291 2.762 20 10 BFCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCSC1 ZINC000224889733 398103156 /nfs/dbraw/zinc/10/31/56/398103156.db2.gz KGEYVHPSDNUJGW-VIFPVBQESA-N 0 0 243.759 2.641 20 10 BFCDRN CC(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370819 167012931 /nfs/dbraw/zinc/01/29/31/167012931.db2.gz FYULLTXWZMSWCB-SECBINFHSA-N 0 0 238.287 2.607 20 10 BFCDRN CC(C)[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000172157937 167348789 /nfs/dbraw/zinc/34/87/89/167348789.db2.gz WMLGWLRBJMKKTG-LLVKDONJSA-N 0 0 235.327 2.643 20 10 BFCDRN CC1=CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000281805211 168100075 /nfs/dbraw/zinc/10/00/75/168100075.db2.gz NBQDWKKRPGQEDV-UHFFFAOYSA-N 0 0 221.275 2.683 20 10 BFCDRN C[C@@H]([NH2+]C1CC(C)C1)c1cc(F)ccc1O ZINC000164633725 168147857 /nfs/dbraw/zinc/14/78/57/168147857.db2.gz YLFNQUXXUBDFND-INWMGODYSA-N 0 0 223.291 2.980 20 10 BFCDRN CCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298341703 168214244 /nfs/dbraw/zinc/21/42/44/168214244.db2.gz DGSXUUIKYBYSFC-UHFFFAOYSA-N 0 0 246.354 2.654 20 10 BFCDRN CCOC1CC(COc2ccc(N(C)C)cc2)C1 ZINC000289414359 170326046 /nfs/dbraw/zinc/32/60/46/170326046.db2.gz PVOYSIVVWCZVSZ-UHFFFAOYSA-N 0 0 249.354 2.947 20 10 BFCDRN CCOC1CC(Sc2nccs2)C1 ZINC000278696220 170331610 /nfs/dbraw/zinc/33/16/10/170331610.db2.gz ZVSGPEIXIULJSO-UHFFFAOYSA-N 0 0 215.343 2.803 20 10 BFCDRN CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc(O)c1O ZINC000126521212 171052189 /nfs/dbraw/zinc/05/21/89/171052189.db2.gz QLYVWPDVADHTJA-VHSXEESVSA-N 0 0 249.310 2.501 20 10 BFCDRN CCn1nccc1CCSc1nccs1 ZINC000189471391 172262509 /nfs/dbraw/zinc/26/25/09/172262509.db2.gz JGMIWIDSXGOLFX-UHFFFAOYSA-N 0 0 239.369 2.694 20 10 BFCDRN COCCCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748337 174201795 /nfs/dbraw/zinc/20/17/95/174201795.db2.gz PFOITGUFFAEGOX-JTQLQIEISA-N 0 0 241.306 2.609 20 10 BFCDRN CO[C@H](C)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000271916180 174816938 /nfs/dbraw/zinc/81/69/38/174816938.db2.gz YWHXYRGYDYSZRX-SECBINFHSA-N 0 0 243.734 2.560 20 10 BFCDRN COc1ccc(CNCc2nccs2)cc1C ZINC000040444088 175108428 /nfs/dbraw/zinc/10/84/28/175108428.db2.gz ZJVNHUPEHLVYHG-UHFFFAOYSA-N 0 0 248.351 2.750 20 10 BFCDRN COc1ccc(CNCc2cc(C)no2)cc1C ZINC000044987171 175108687 /nfs/dbraw/zinc/10/86/87/175108687.db2.gz FMVQVFUDIBBQPD-UHFFFAOYSA-N 0 0 246.310 2.590 20 10 BFCDRN COc1cccc(C[NH2+][C@@H]2CCC[C@H]2C)c1O ZINC000071205660 175266999 /nfs/dbraw/zinc/26/69/99/175266999.db2.gz HIRQSWJXWYGZPS-ZYHUDNBSSA-N 0 0 235.327 2.679 20 10 BFCDRN C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000165409394 176074136 /nfs/dbraw/zinc/07/41/36/176074136.db2.gz QMAQVKACOZPRGK-SNVBAGLBSA-N 0 0 223.291 2.906 20 10 BFCDRN C[C@@H]1CCCN(C(=O)Nc2ccc(N)cc2)[C@@H]1C ZINC000050567149 176094095 /nfs/dbraw/zinc/09/40/95/176094095.db2.gz GCNWTZBQQLSAFJ-GHMZBOCLSA-N 0 0 247.342 2.921 20 10 BFCDRN C[C@@H]1CCC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000035408186 176142252 /nfs/dbraw/zinc/14/22/52/176142252.db2.gz YQXOMJWJMBKUDV-MFKMUULPSA-N 0 0 247.342 2.969 20 10 BFCDRN C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000035407886 177081552 /nfs/dbraw/zinc/08/15/52/177081552.db2.gz SXNLBWJANLQUEE-GWCFXTLKSA-N 0 0 247.342 2.969 20 10 BFCDRN C[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000022173385 177088206 /nfs/dbraw/zinc/08/82/06/177088206.db2.gz UUGNDDOKNSPSJQ-SMDDNHRTSA-N 0 0 246.354 2.506 20 10 BFCDRN C[C@H]1CC[C@@H](CCC(=O)Nc2ccc(N)cc2)O1 ZINC000237556567 177187945 /nfs/dbraw/zinc/18/79/45/177187945.db2.gz KSEFPICXFWHDDW-GWCFXTLKSA-N 0 0 248.326 2.555 20 10 BFCDRN C[C@H]1C[C@H](C)CN(C(=O)Nc2ccc(N)cc2)C1 ZINC000035407921 177357523 /nfs/dbraw/zinc/35/75/23/177357523.db2.gz CVUBFROOOAPEJG-QWRGUYRKSA-N 0 0 247.342 2.779 20 10 BFCDRN [O-]c1c(F)cccc1C[NH2+]CC1CC=CC1 ZINC000529643286 324370638 /nfs/dbraw/zinc/37/06/38/324370638.db2.gz YQMYXTAZMOXUPH-UHFFFAOYSA-N 0 0 221.275 2.587 20 10 BFCDRN CC1(CNC(=O)Nc2ccc(N)cc2)CCCC1 ZINC000111623139 588764707 /nfs/dbraw/zinc/76/47/07/588764707.db2.gz FDJNGMYIXOFMGY-UHFFFAOYSA-N 0 0 247.342 2.971 20 10 BFCDRN CC(C)=CC(=O)NCc1cccc(Cl)c1O ZINC000890756224 582535571 /nfs/dbraw/zinc/53/55/71/582535571.db2.gz ACGRUIPUJPSABG-UHFFFAOYSA-N 0 0 239.702 2.628 20 10 BFCDRN COc1ccc(N(C)Cc2nc(C)c(C)o2)cc1 ZINC000844353470 582580276 /nfs/dbraw/zinc/58/02/76/582580276.db2.gz OXASDZMNDUABJJ-UHFFFAOYSA-N 0 0 246.310 2.936 20 10 BFCDRN CC(C)(C)Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843163558 582618558 /nfs/dbraw/zinc/61/85/58/582618558.db2.gz PMCZRNILPITZPC-UHFFFAOYSA-N 0 0 245.326 2.831 20 10 BFCDRN CC[C@H](C)CCNC(=O)C1=CC(=O)CS1 ZINC000855389813 588830708 /nfs/dbraw/zinc/83/07/08/588830708.db2.gz HYDKGDHLDNRYNG-QMMMGPOBSA-N 0 0 227.329 2.620 20 10 BFCDRN C[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])[C@@H]1C ZINC000894862457 583536743 /nfs/dbraw/zinc/53/67/43/583536743.db2.gz YUIKOGASBYUDDJ-HTQZYQBOSA-N 0 0 227.254 2.511 20 10 BFCDRN C[N@H+](CCCF)Cc1c([O-])ccc(Cl)c1F ZINC000895895689 583743843 /nfs/dbraw/zinc/74/38/43/583743843.db2.gz CKLPSVVZHKQRBY-UHFFFAOYSA-N 0 0 249.688 2.976 20 10 BFCDRN CC[C@H]1CC[C@@H]1[NH2+]Cc1c([O-])cccc1F ZINC000896636316 583819105 /nfs/dbraw/zinc/81/91/05/583819105.db2.gz AYLDWIMQESFWLJ-CABZTGNLSA-N 0 0 223.291 2.810 20 10 BFCDRN [O-]c1cccc(F)c1C[NH2+]C1CC2(CCC2)C1 ZINC000896639007 583819858 /nfs/dbraw/zinc/81/98/58/583819858.db2.gz SRPGSVVVIRJUMK-UHFFFAOYSA-N 0 0 235.302 2.954 20 10 BFCDRN CC[C@@H](C)C[NH2+]Cc1c([O-])cccc1F ZINC000896638489 583819973 /nfs/dbraw/zinc/81/99/73/583819973.db2.gz VFLUVHHNXGWHEH-SECBINFHSA-N 0 0 211.280 2.667 20 10 BFCDRN CCCCCC(=O)N(C)c1ccc(N)cc1 ZINC000020481058 583839394 /nfs/dbraw/zinc/83/93/94/583839394.db2.gz SSIZKGUMRAUENL-UHFFFAOYSA-N 0 0 220.316 2.812 20 10 BFCDRN CC[C@H]([NH2+]CC[C@H](O)C1CC1)c1ccccc1O ZINC000898197905 584097678 /nfs/dbraw/zinc/09/76/78/584097678.db2.gz KQQAIAVEAUUPGA-KBPBESRZSA-N 0 0 249.354 2.594 20 10 BFCDRN C[C@H](Nc1cnn(CCF)c1)c1ccccc1O ZINC000858492278 588960765 /nfs/dbraw/zinc/96/07/65/588960765.db2.gz VIUQUJAMNSPNKK-JTQLQIEISA-N 0 0 249.289 2.731 20 10 BFCDRN CC(C)Nc1ccccc1NCc1nncs1 ZINC000902106513 584523885 /nfs/dbraw/zinc/52/38/85/584523885.db2.gz XVLNEFPYWVUWPD-UHFFFAOYSA-N 0 0 248.355 2.971 20 10 BFCDRN O=C(C1=CC(=O)CS1)N1CCc2ccccc21 ZINC000731867323 584930486 /nfs/dbraw/zinc/93/04/86/584930486.db2.gz FZAUJOKFQPLGJF-UHFFFAOYSA-N 0 0 245.303 2.657 20 10 BFCDRN CN(CC(C)(C)C)C(=O)C1=CC(=O)CS1 ZINC000732282642 584935845 /nfs/dbraw/zinc/93/58/45/584935845.db2.gz KSQLDRPSVHZBSC-UHFFFAOYSA-N 0 0 227.329 2.572 20 10 BFCDRN Cc1ccc(C(=O)O[C@H]2C=CCCC2)c(O)c1O ZINC000733476132 584949993 /nfs/dbraw/zinc/94/99/93/584949993.db2.gz KIZLNWHVXSSGMS-JTQLQIEISA-N 0 0 248.278 2.672 20 10 BFCDRN C[C@H](CNC(=O)C1=CC(=O)CS1)C(C)(C)C ZINC000734549872 584964222 /nfs/dbraw/zinc/96/42/22/584964222.db2.gz YUIKWCIGYYDXFV-MRVPVSSYSA-N 0 0 241.356 2.866 20 10 BFCDRN C/C=C(/C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773013193 585019546 /nfs/dbraw/zinc/01/95/46/585019546.db2.gz JLWYTEYMSZQIPG-DSDFTUOUSA-N 0 0 246.354 2.896 20 10 BFCDRN CN(C)c1ccc(/C=C/CNCC(F)F)cc1 ZINC000839093599 585090395 /nfs/dbraw/zinc/09/03/95/585090395.db2.gz UQGSEJQLOSTOLZ-ONEGZZNKSA-N 0 0 240.297 2.621 20 10 BFCDRN [O-]c1c(F)cccc1C[NH+]1CC2(C1)CCCC2 ZINC000839104475 585091100 /nfs/dbraw/zinc/09/11/00/585091100.db2.gz LAVGYAOALFECEL-UHFFFAOYSA-N 0 0 235.302 2.907 20 10 BFCDRN COc1ccc(N(C)C[C@@H]2C[C@@H]2C)c(OC)c1 ZINC000859204140 589018735 /nfs/dbraw/zinc/01/87/35/589018735.db2.gz CGVUMOREXUKLKU-QWRGUYRKSA-N 0 0 235.327 2.796 20 10 BFCDRN CCOCCCN(CC)c1ccc(OC)cc1 ZINC000741781946 585118449 /nfs/dbraw/zinc/11/84/49/585118449.db2.gz RPUXQQHZBURVJF-UHFFFAOYSA-N 0 0 237.343 2.948 20 10 BFCDRN C[C@H]1CCCN(C(=O)C2=CC(=O)CS2)[C@H]1C ZINC000743551108 585137922 /nfs/dbraw/zinc/13/79/22/585137922.db2.gz PDXAUACXTKBEHB-IUCAKERBSA-N 0 0 239.340 2.714 20 10 BFCDRN C[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)[C@@H]1C ZINC000743551110 585138100 /nfs/dbraw/zinc/13/81/00/585138100.db2.gz PDXAUACXTKBEHB-RKDXNWHRSA-N 0 0 239.340 2.714 20 10 BFCDRN COc1ccc2c(c1)CCN2Cc1ncc(C)o1 ZINC000744395658 585149932 /nfs/dbraw/zinc/14/99/32/585149932.db2.gz UJXXCWKKJFCCEU-UHFFFAOYSA-N 0 0 244.294 2.554 20 10 BFCDRN COCCN(CC(C)C)c1ccc(OC)cc1 ZINC000746169977 585164368 /nfs/dbraw/zinc/16/43/68/585164368.db2.gz JVEWABNHYDBPBA-UHFFFAOYSA-N 0 0 237.343 2.804 20 10 BFCDRN Cc1ccnc(CSc2nccs2)n1 ZINC000755843077 585308553 /nfs/dbraw/zinc/30/85/53/585308553.db2.gz YIKDICUMGWPZKW-UHFFFAOYSA-N 0 0 223.326 2.534 20 10 BFCDRN C[N@H+](Cc1ccccn1)Cc1cccc(F)c1[O-] ZINC000757889986 585346342 /nfs/dbraw/zinc/34/63/42/585346342.db2.gz NHRFZMIHZPSHBK-UHFFFAOYSA-N 0 0 246.285 2.558 20 10 BFCDRN C[N@H+](Cc1ccncc1)Cc1cccc(F)c1[O-] ZINC000757887333 585346377 /nfs/dbraw/zinc/34/63/77/585346377.db2.gz HIYURIFVGBMMBG-UHFFFAOYSA-N 0 0 246.285 2.558 20 10 BFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OC1CCCC1 ZINC000759588011 585376925 /nfs/dbraw/zinc/37/69/25/585376925.db2.gz GXQFAOQEDPEKFE-SOFGYWHQSA-N 0 0 248.278 2.597 20 10 BFCDRN CCC/C(C)=C/C(=O)NCc1ccccc1O ZINC000762806012 585437563 /nfs/dbraw/zinc/43/75/63/585437563.db2.gz CNYSSZZPJHWMOI-PKNBQFBNSA-N 0 0 233.311 2.755 20 10 BFCDRN CC(C)[C@@]1(C)C[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000839799454 585522893 /nfs/dbraw/zinc/52/28/93/585522893.db2.gz PATXJBCRLSOCCH-CMPLNLGQSA-N 0 0 239.340 2.618 20 10 BFCDRN COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C)C1 ZINC000768138461 585532758 /nfs/dbraw/zinc/53/27/58/585532758.db2.gz LMGPELDHXITTEZ-LLVKDONJSA-N 0 0 235.327 2.633 20 10 BFCDRN CC[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1OC ZINC000769011623 585547343 /nfs/dbraw/zinc/54/73/43/585547343.db2.gz YYYKJFDCZHAAER-LLVKDONJSA-N 0 0 235.327 2.775 20 10 BFCDRN Cc1ccc(O)c(C[N@H+](C)Cc2ccoc2)c1 ZINC000769006410 585547515 /nfs/dbraw/zinc/54/75/15/585547515.db2.gz SKEBGDPTISEOMD-UHFFFAOYSA-N 0 0 231.295 2.926 20 10 BFCDRN Cc1cccnc1COC(=O)C1=CC(=O)CS1 ZINC000771959909 585605481 /nfs/dbraw/zinc/60/54/81/585605481.db2.gz RXHOGPUVOMYEBZ-UHFFFAOYSA-N 0 0 249.291 2.514 20 10 BFCDRN Cc1ccc(COC(=O)C2=CC(=O)CS2)nc1 ZINC000772272767 585611679 /nfs/dbraw/zinc/61/16/79/585611679.db2.gz SDWLNHQQIRUSQN-UHFFFAOYSA-N 0 0 249.291 2.514 20 10 BFCDRN C/C=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773020792 585629447 /nfs/dbraw/zinc/62/94/47/585629447.db2.gz WCOORMVAWGZWNB-ISALQUGTSA-N 0 0 232.327 2.506 20 10 BFCDRN CCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773015605 585629548 /nfs/dbraw/zinc/62/95/48/585629548.db2.gz QKAYIAIPEKOODR-LLVKDONJSA-N 0 0 234.343 2.730 20 10 BFCDRN CC(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773009794 585629582 /nfs/dbraw/zinc/62/95/82/585629582.db2.gz RBZSLTIOPZXPIN-NSHDSACASA-N 0 0 234.343 2.586 20 10 BFCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCCC1 ZINC000775638557 585682007 /nfs/dbraw/zinc/68/20/07/585682007.db2.gz LBCRHWLVWFASJW-UHFFFAOYSA-N 0 0 229.682 2.781 20 10 BFCDRN CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccccc2O)C1(C)C ZINC000776157061 585691255 /nfs/dbraw/zinc/69/12/55/585691255.db2.gz PCRGHRILBGEXRQ-DDTOSNHZSA-N 0 0 249.354 2.541 20 10 BFCDRN CC[C@H]1[C@@H](C)CCN1C(=O)C1=CC(=O)CS1 ZINC000776262457 585694206 /nfs/dbraw/zinc/69/42/06/585694206.db2.gz CFYOZEBPQIXZLS-WPRPVWTQSA-N 0 0 239.340 2.714 20 10 BFCDRN C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@H]1F ZINC000779151397 585745972 /nfs/dbraw/zinc/74/59/72/585745972.db2.gz XWUCXSREUQUIIS-ZYHUDNBSSA-N 0 0 223.291 2.572 20 10 BFCDRN C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@@H]1F ZINC000779151396 585745976 /nfs/dbraw/zinc/74/59/76/585745976.db2.gz XWUCXSREUQUIIS-PWSUYJOCSA-N 0 0 223.291 2.572 20 10 BFCDRN Cc1cccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)c1O ZINC000779149044 585746007 /nfs/dbraw/zinc/74/60/07/585746007.db2.gz KEKORHHRUQCVIA-GWCFXTLKSA-N 0 0 237.318 2.881 20 10 BFCDRN CN(Cc1ccoc1)c1ccc2c(c1)OCO2 ZINC000780778123 585784566 /nfs/dbraw/zinc/78/45/66/585784566.db2.gz BPCYSLFVJIDFFF-UHFFFAOYSA-N 0 0 231.251 2.645 20 10 BFCDRN COc1ccc(N[C@H](C)c2ccccc2O)nc1 ZINC000783525540 585836032 /nfs/dbraw/zinc/83/60/32/585836032.db2.gz VMQRILPEPDKHAX-SNVBAGLBSA-N 0 0 244.294 2.969 20 10 BFCDRN COc1ccc2c(c1)CCN2CC1(C)CC1 ZINC000787036882 585900092 /nfs/dbraw/zinc/90/00/92/585900092.db2.gz AVDHLMISBKXDAL-UHFFFAOYSA-N 0 0 217.312 2.858 20 10 BFCDRN COc1ccc2c(c1)CCN2C[C@H]1CCSC1 ZINC000787040973 585900186 /nfs/dbraw/zinc/90/01/86/585900186.db2.gz LPZGMDYWCOIQGK-LLVKDONJSA-N 0 0 249.379 2.811 20 10 BFCDRN CCOc1ccc(N(C)Cc2ncccn2)cc1 ZINC000792228810 585998362 /nfs/dbraw/zinc/99/83/62/585998362.db2.gz AXEDQAISYMZEFQ-UHFFFAOYSA-N 0 0 243.310 2.512 20 10 BFCDRN COc1ccc2c(c1)CCCN2Cc1ccno1 ZINC000797720743 586130537 /nfs/dbraw/zinc/13/05/37/586130537.db2.gz MPBHWQGJRXPRRA-UHFFFAOYSA-N 0 0 244.294 2.636 20 10 BFCDRN CCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839912659 586225552 /nfs/dbraw/zinc/22/55/52/586225552.db2.gz GHKCYLWJYJEEDX-LBPRGKRZSA-N 0 0 248.370 2.518 20 10 BFCDRN CC(=O)C(=O)COc1ccc(Cl)cc1Cl ZINC000808012265 586459325 /nfs/dbraw/zinc/45/93/25/586459325.db2.gz ILHIUZIHCSBDBL-UHFFFAOYSA-N 0 0 247.077 2.530 20 10 BFCDRN CC[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816483828 586735652 /nfs/dbraw/zinc/73/56/52/586735652.db2.gz GRDZAPAKOLVVLB-UHFFFAOYSA-N 0 0 217.671 2.636 20 10 BFCDRN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000816648221 586750135 /nfs/dbraw/zinc/75/01/35/586750135.db2.gz GYGXBQWSSWFIKW-DTWKUNHWSA-N 0 0 225.719 2.886 20 10 BFCDRN CCC[C@H](CC)C(=O)NCc1ccccc1O ZINC000821061871 587092133 /nfs/dbraw/zinc/09/21/33/587092133.db2.gz ZBNNSBGBSXHWKZ-NSHDSACASA-N 0 0 235.327 2.835 20 10 BFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CC12CC2 ZINC000822497565 587171933 /nfs/dbraw/zinc/17/19/33/587171933.db2.gz FQJDZCAFKDVAIP-SNVBAGLBSA-N 0 0 241.693 2.827 20 10 BFCDRN CC[C@@H](NCc1cccc(C)c1O)C(F)F ZINC000824510163 587272800 /nfs/dbraw/zinc/27/28/00/587272800.db2.gz RTSCKEAVRWVLQP-SNVBAGLBSA-N 0 0 229.270 2.834 20 10 BFCDRN CC[C@@H](NCc1ccc(N(C)C)cc1)C(F)F ZINC000824510718 587272872 /nfs/dbraw/zinc/27/28/72/587272872.db2.gz ZDCCLOATNDKYAV-GFCCVEGCSA-N 0 0 242.313 2.886 20 10 BFCDRN CO[C@H]1CC[N@H+](Cc2cccc(C)c2O)C[C@@H]1C ZINC000824815168 587288544 /nfs/dbraw/zinc/28/85/44/587288544.db2.gz JEUWKHOSZHLDQB-JSGCOSHPSA-N 0 0 249.354 2.557 20 10 BFCDRN CO[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C[C@H]1C ZINC000824814408 587288863 /nfs/dbraw/zinc/28/88/63/587288863.db2.gz ABJVBDOPMLMWCB-DOMZBBRYSA-N 0 0 249.354 2.557 20 10 BFCDRN C[C@@H](NC(=O)CC(F)(F)F)c1ccccc1O ZINC000827930476 587410328 /nfs/dbraw/zinc/41/03/28/587410328.db2.gz KWOFNFLBETYESY-SSDOTTSWSA-N 0 0 247.216 2.522 20 10 BFCDRN CC/C=C(\C)C(=O)N[C@H](C)c1ccccc1O ZINC000827930918 587410502 /nfs/dbraw/zinc/41/05/02/587410502.db2.gz VAXODOVRASISQO-PFEDMVJOSA-N 0 0 233.311 2.926 20 10 BFCDRN CC(C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000827937161 587410990 /nfs/dbraw/zinc/41/09/90/587410990.db2.gz MQZPKVBUOJGIFG-GHMZBOCLSA-N 0 0 235.327 2.862 20 10 BFCDRN C[C@@H](NC(=O)/C=C/C1CC1)c1ccccc1O ZINC000827937258 587411034 /nfs/dbraw/zinc/41/10/34/587411034.db2.gz PZGVHTZKQQOLQC-AAXQSMANSA-N 0 0 231.295 2.536 20 10 BFCDRN C[C@@H](NC(=O)C1=CCCC1)c1ccccc1O ZINC000827937499 587411102 /nfs/dbraw/zinc/41/11/02/587411102.db2.gz YIPAVSXUCDLQFA-SNVBAGLBSA-N 0 0 231.295 2.680 20 10 BFCDRN C/C=C(/CC)C(=O)N[C@H](C)c1ccccc1O ZINC000827946699 587412491 /nfs/dbraw/zinc/41/24/91/587412491.db2.gz PDFYJUNCEVNEPC-BJIOATRMSA-N 0 0 233.311 2.926 20 10 BFCDRN C[C@H](NC(=O)C1(C)CCC1)c1ccccc1O ZINC000827973636 587414033 /nfs/dbraw/zinc/41/40/33/587414033.db2.gz VOTRKPYBBDYCJN-JTQLQIEISA-N 0 0 233.311 2.760 20 10 BFCDRN C[C@H](NC(=O)C=C1CCC1)c1ccccc1O ZINC000827973515 587414064 /nfs/dbraw/zinc/41/40/64/587414064.db2.gz SJCCYTBWXCRWLS-JTQLQIEISA-N 0 0 231.295 2.680 20 10 BFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCC1(C)C ZINC000830140384 587538645 /nfs/dbraw/zinc/53/86/45/587538645.db2.gz BGJMJLJVOOXKBN-LBPRGKRZSA-N 0 0 247.338 2.787 20 10 BFCDRN CC(F)(F)CCCNC(=O)C1=CC(=O)CS1 ZINC000833070174 587699867 /nfs/dbraw/zinc/69/98/67/587699867.db2.gz RNYFKPVGBQXWRN-UHFFFAOYSA-N 0 0 249.282 2.619 20 10 BFCDRN CC[C@H](CC(=O)NCc1ccc(N)cc1)C(C)C ZINC000837303353 587864439 /nfs/dbraw/zinc/86/44/39/587864439.db2.gz INKMVTSQZARHKS-CYBMUJFWSA-N 0 0 248.370 2.957 20 10 BFCDRN C/C(=C\C(=O)NCc1ccc(N)cc1)C(C)(C)C ZINC000837303274 587864678 /nfs/dbraw/zinc/86/46/78/587864678.db2.gz CUSPOLOLLZQMCF-PKNBQFBNSA-N 0 0 246.354 2.877 20 10 BFCDRN CCc1ncc(CNc2ccc(N)cc2)s1 ZINC000841040028 587938460 /nfs/dbraw/zinc/93/84/60/587938460.db2.gz GYGDLVOLYDHOSH-UHFFFAOYSA-N 0 0 233.340 2.900 20 10 BFCDRN Nc1ccc(NC(=O)N2CC3(C2)CCCC3)cc1 ZINC000841296199 587950359 /nfs/dbraw/zinc/95/03/59/587950359.db2.gz QMSFOBQPLYTPBP-UHFFFAOYSA-N 0 0 245.326 2.677 20 10 BFCDRN CC[C@@H](CSc1nccs1)OC ZINC000841667155 587970803 /nfs/dbraw/zinc/97/08/03/587970803.db2.gz GQZZDNHLVUKOHA-ZETCQYMHSA-N 0 0 203.332 2.660 20 10 BFCDRN CC[C@H](CN1CCCc2cc(OC)ccc21)OC ZINC000842148074 588003688 /nfs/dbraw/zinc/00/36/88/588003688.db2.gz PWNGZTQIFNMMIL-CYBMUJFWSA-N 0 0 249.354 2.873 20 10 BFCDRN CC[C@@H](CN(C)c1ccc(OC)c(F)c1)OC ZINC000842153871 588004251 /nfs/dbraw/zinc/00/42/51/588004251.db2.gz WODOPBIOAQRGEX-NSHDSACASA-N 0 0 241.306 2.696 20 10 BFCDRN CCCCCc1nc(Cc2ccc(N)cc2)no1 ZINC000843160864 588088365 /nfs/dbraw/zinc/08/83/65/588088365.db2.gz AQUUJTWOQRZLAU-UHFFFAOYSA-N 0 0 245.326 2.975 20 10 BFCDRN COc1ccc(N(C)Cc2cscn2)cc1 ZINC000844353043 588186744 /nfs/dbraw/zinc/18/67/44/588186744.db2.gz DSKUTSSMLBFBKR-UHFFFAOYSA-N 0 0 234.324 2.788 20 10 BFCDRN C[C@H]1CC[C@H](C(=O)NCc2ccccc2O)CC1 ZINC000845833885 588247023 /nfs/dbraw/zinc/24/70/23/588247023.db2.gz PGBZSBUIYKKJRF-HAQNSBGRSA-N 0 0 247.338 2.835 20 10 BFCDRN COc1ccc(N(C)C[C@@H]2CCSC2)cc1 ZINC000845999264 588253148 /nfs/dbraw/zinc/25/31/48/588253148.db2.gz VISYYNMOGAJJMJ-NSHDSACASA-N 0 0 237.368 2.885 20 10 BFCDRN CC(C)(C)C(=O)NCc1cc(Cl)ccc1O ZINC000846478997 588267314 /nfs/dbraw/zinc/26/73/14/588267314.db2.gz HLQVKXUCJUPJSS-UHFFFAOYSA-N 0 0 241.718 2.708 20 10 BFCDRN CC(C)(NC(=O)C1=CC(=O)CS1)C1CCC1 ZINC000846655190 588281212 /nfs/dbraw/zinc/28/12/12/588281212.db2.gz OLCYAONCPHGPHX-UHFFFAOYSA-N 0 0 239.340 2.762 20 10 BFCDRN CC(C(=O)NCc1cc(C)ccc1O)=C1CCC1 ZINC000862755838 589237282 /nfs/dbraw/zinc/23/72/82/589237282.db2.gz ZNCDPLLMJQONFZ-UHFFFAOYSA-N 0 0 245.322 2.817 20 10 BFCDRN Cc1ccc(O)c(CNC(=O)C(F)=C2CCC2)c1 ZINC000862754753 589237618 /nfs/dbraw/zinc/23/76/18/589237618.db2.gz IZWKABBJMSYGTB-UHFFFAOYSA-N 0 0 249.285 2.724 20 10 BFCDRN CC/C=C(\C)C(=O)NCc1cc(C)ccc1O ZINC000862758960 589237847 /nfs/dbraw/zinc/23/78/47/589237847.db2.gz RFQLAJLDUMMOGW-VZUCSPMQSA-N 0 0 233.311 2.673 20 10 BFCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)C(C)C)c1 ZINC000862759818 589237912 /nfs/dbraw/zinc/23/79/12/589237912.db2.gz JATBGGKHSHXZCA-NSHDSACASA-N 0 0 235.327 2.609 20 10 BFCDRN c1csc(SCCCc2cnoc2)n1 ZINC000863295084 589277274 /nfs/dbraw/zinc/27/72/74/589277274.db2.gz KHNJWAPIPIQUFE-UHFFFAOYSA-N 0 0 226.326 2.856 20 10 BFCDRN CO[C@@H](CN(C)c1ccc(N)cc1)C1CCCC1 ZINC000863558464 589298757 /nfs/dbraw/zinc/29/87/57/589298757.db2.gz JQMCPXKDDFOEGU-HNNXBMFYSA-N 0 0 248.370 2.910 20 10 BFCDRN Cc1ccc(CN(C)c2ccc(N)cc2)c(C)n1 ZINC000863558218 589299137 /nfs/dbraw/zinc/29/91/37/589299137.db2.gz AEXURLMVDORAJE-UHFFFAOYSA-N 0 0 241.338 2.917 20 10 BFCDRN CC(C)Nc1ccccc1NCC1(C)COC1 ZINC000864041455 589333784 /nfs/dbraw/zinc/33/37/84/589333784.db2.gz MZAZTSFYYFJNHM-UHFFFAOYSA-N 0 0 234.343 2.955 20 10 BFCDRN Cc1cccc(C)c1C=C1SC(=S)NC1=O ZINC000120657440 589452792 /nfs/dbraw/zinc/45/27/92/589452792.db2.gz ADCSVCYDAZANFG-UXBLZVDNSA-N 0 0 249.360 2.792 20 10 BFCDRN CCc1cc(N[C@H](C)c2ccccc2O)ncn1 ZINC000866237428 589482173 /nfs/dbraw/zinc/48/21/73/589482173.db2.gz JANDWGGKDZWFOI-SNVBAGLBSA-N 0 0 243.310 2.918 20 10 BFCDRN C[C@@H](NC(=O)NC1CC(C)C1)c1ccccc1O ZINC000868378072 589556494 /nfs/dbraw/zinc/55/64/94/589556494.db2.gz SOLSYEJYTNQAII-HSOILSAZSA-N 0 0 248.326 2.551 20 10 BFCDRN C/C(=C\C(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000871200337 589743990 /nfs/dbraw/zinc/74/39/90/589743990.db2.gz AUIIHHAELVJAJX-JXMROGBWSA-N 0 0 243.306 2.591 20 10 BFCDRN CCC(=CC(=O)N1Cc2cccc(O)c2C1)CC ZINC000871203460 589744341 /nfs/dbraw/zinc/74/43/41/589744341.db2.gz MBFZGZIZDNSKCY-UHFFFAOYSA-N 0 0 245.322 2.981 20 10 BFCDRN CC/C=C(/C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871200827 589744483 /nfs/dbraw/zinc/74/44/83/589744483.db2.gz JPYYUIUQDPKFCH-YHYXMXQVSA-N 0 0 231.295 2.591 20 10 BFCDRN CC(C)[C@H]1C[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871203601 589744607 /nfs/dbraw/zinc/74/46/07/589744607.db2.gz DCXKAWMYUWUQHX-NEPJUHHUSA-N 0 0 245.322 2.527 20 10 BFCDRN C[C@@H]1CC[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203423 589744640 /nfs/dbraw/zinc/74/46/40/589744640.db2.gz AIURWPVHOLLJCB-GHMZBOCLSA-N 0 0 245.322 2.671 20 10 BFCDRN C[C@H](CC(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000871201298 589744717 /nfs/dbraw/zinc/74/47/17/589744717.db2.gz SXHKCFAUOKYALB-SNVBAGLBSA-N 0 0 245.322 2.671 20 10 BFCDRN CC/C(C)=C/C(=O)N1Cc2cccc(O)c2C1 ZINC000871205703 589745107 /nfs/dbraw/zinc/74/51/07/589745107.db2.gz XHAOQGALEMHVCC-JXMROGBWSA-N 0 0 231.295 2.591 20 10 BFCDRN CC[C@@H](C)[C@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204623 589745532 /nfs/dbraw/zinc/74/55/32/589745532.db2.gz MKNWKYGCSBDFPN-MNOVXSKESA-N 0 0 247.338 2.917 20 10 BFCDRN CC(C)Nc1ccccc1NCc1nccn1C ZINC000871846150 589824493 /nfs/dbraw/zinc/82/44/93/589824493.db2.gz SQTOUMIJFHRQQL-UHFFFAOYSA-N 0 0 244.342 2.853 20 10 BFCDRN COc1cc(C)cc(C[N@H+](C)[C@@H](C)C2CC2)c1O ZINC000874090347 590090523 /nfs/dbraw/zinc/09/05/23/590090523.db2.gz BZNNRVXGWFJPSD-NSHDSACASA-N 0 0 249.354 2.940 20 10 BFCDRN Cc1cc(CN(C)Cc2c(C)cccc2O)no1 ZINC000876596644 590219991 /nfs/dbraw/zinc/21/99/91/590219991.db2.gz JAAGQAGEXNGSGL-UHFFFAOYSA-N 0 0 246.310 2.629 20 10 BFCDRN Cc1cccc(O)c1C[N@H+]1CC[C@@H]1C(C)C ZINC000876878945 590252192 /nfs/dbraw/zinc/25/21/92/590252192.db2.gz LCKAWHPRUUZMPE-CYBMUJFWSA-N 0 0 219.328 2.931 20 10 BFCDRN CC[C@@H](C)[C@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877075312 590278286 /nfs/dbraw/zinc/27/82/86/590278286.db2.gz CKUWHLYLFHKZEQ-MNOVXSKESA-N 0 0 234.343 2.914 20 10 BFCDRN Cc1cccc(O)c1CN1CCC(F)(F)C1 ZINC000877141688 590291732 /nfs/dbraw/zinc/29/17/32/590291732.db2.gz ZNRLQRFGHBVMBS-UHFFFAOYSA-N 0 0 227.254 2.542 20 10 BFCDRN C[C@H]1C[C@H](C)[NH+]1Cc1ccc(F)c(F)c1[O-] ZINC000877486370 590338748 /nfs/dbraw/zinc/33/87/48/590338748.db2.gz IMWNIRKESUWPCY-YUMQZZPRSA-N 0 0 227.254 2.653 20 10 BFCDRN Cc1ccc(CN[C@@H]2CCCC2(F)F)c(O)c1 ZINC000877533836 590349676 /nfs/dbraw/zinc/34/96/76/590349676.db2.gz XJFUJBXQLVGHQI-GFCCVEGCSA-N 0 0 241.281 2.978 20 10 BFCDRN Cc1ccc(CN[C@H]2CCCC2(F)F)c(O)c1 ZINC000877533837 590350284 /nfs/dbraw/zinc/35/02/84/590350284.db2.gz XJFUJBXQLVGHQI-LBPRGKRZSA-N 0 0 241.281 2.978 20 10 BFCDRN COC1(C[NH2+]Cc2c(C)cccc2O)CCCC1 ZINC000877554640 590356798 /nfs/dbraw/zinc/35/67/98/590356798.db2.gz MJYGVCSGKQYDLD-UHFFFAOYSA-N 0 0 249.354 2.749 20 10 BFCDRN CO[C@H]1CC[N@H+](Cc2c(C)cccc2O)C[C@@H]1C ZINC000877566005 590360738 /nfs/dbraw/zinc/36/07/38/590360738.db2.gz UHBTYVDAABXZFD-WFASDCNBSA-N 0 0 249.354 2.557 20 10 BFCDRN CC[C@H]1C[N@H+](Cc2ccc(C)cc2O)[C@H](C)CO1 ZINC000877611164 590372281 /nfs/dbraw/zinc/37/22/81/590372281.db2.gz XJTXUZCUTVFXOQ-OCCSQVGLSA-N 0 0 249.354 2.700 20 10 BFCDRN CCn1ncc(NCc2ccc(C)cc2O)c1C ZINC000877832942 590430196 /nfs/dbraw/zinc/43/01/96/590430196.db2.gz AQAGKTOUVJCLJS-UHFFFAOYSA-N 0 0 245.326 2.838 20 10 BFCDRN CN(C)c1ccc(OCCc2ccns2)cc1 ZINC000877881814 590437601 /nfs/dbraw/zinc/43/76/01/590437601.db2.gz XPJKJRTVZOYDPF-UHFFFAOYSA-N 0 0 248.351 2.831 20 10 BFCDRN CCOc1ccc(N(CCCO)CC2CC2)cc1 ZINC000879116903 590699763 /nfs/dbraw/zinc/69/97/63/590699763.db2.gz CYEQVXAAFPOHTA-UHFFFAOYSA-N 0 0 249.354 2.684 20 10 BFCDRN CC1(C)C[C@@]1(C)CNC(=O)C1=CC(=O)CS1 ZINC000881540526 591233713 /nfs/dbraw/zinc/23/37/13/591233713.db2.gz JUYOKPCHILDFJI-LBPRGKRZSA-N 0 0 239.340 2.620 20 10 BFCDRN CCCN(C)c1ccc(OC)cc1OC ZINC000132294209 591697816 /nfs/dbraw/zinc/69/78/16/591697816.db2.gz XTZJWXLJNWKVPP-UHFFFAOYSA-N 0 0 209.289 2.550 20 10 BFCDRN CC(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000134902408 591957852 /nfs/dbraw/zinc/95/78/52/591957852.db2.gz YJXIPNJUQRDNPO-MRVPVSSYSA-N 0 0 229.270 2.977 20 10 BFCDRN C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1c([O-])cccc1F ZINC000886513349 592240398 /nfs/dbraw/zinc/24/03/98/592240398.db2.gz ZHKHYKLNEGNASR-KXUCPTDWSA-N 0 0 223.291 2.838 20 10 BFCDRN COCC[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886520313 592243676 /nfs/dbraw/zinc/24/36/76/592243676.db2.gz BFYWMFUAZQEECG-UWVGGRQHSA-N 0 0 241.306 2.607 20 10 BFCDRN CO[C@@H](C)CC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886521169 592244529 /nfs/dbraw/zinc/24/45/29/592244529.db2.gz WDTCXVFWIFGHEA-VHSXEESVSA-N 0 0 241.306 2.607 20 10 BFCDRN CS[C@H](C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886555403 592258847 /nfs/dbraw/zinc/25/88/47/592258847.db2.gz RJKCBKXDYUJNSP-RKDXNWHRSA-N 0 0 243.347 2.933 20 10 BFCDRN C/C=C\C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886643034 592287367 /nfs/dbraw/zinc/28/73/67/592287367.db2.gz JCALGSFTSGKVTL-ZBJFTSOASA-N 0 0 209.264 2.758 20 10 BFCDRN C[C@@H](N[C@H](C)C(F)F)c1c(O)cccc1F ZINC000886651968 592290947 /nfs/dbraw/zinc/29/09/47/592290947.db2.gz WCKHBXBHJVUGRH-RNFRBKRXSA-N 0 0 233.233 2.836 20 10 BFCDRN CC(C)(C)OC(=O)CCSc1nccs1 ZINC000064669714 635472621 /nfs/dbraw/zinc/47/26/21/635472621.db2.gz FXTOFIHEDBQKNB-UHFFFAOYSA-N 0 0 245.369 2.967 20 10 BFCDRN C[C@H]1CC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000309063274 631831063 /nfs/dbraw/zinc/83/10/63/631831063.db2.gz XMTQRSYWHOSUMP-GZMMTYOYSA-N 0 0 225.719 2.934 20 10 BFCDRN c1csc(SCC2CCOCC2)n1 ZINC000172294978 633224755 /nfs/dbraw/zinc/22/47/55/633224755.db2.gz RPBRLFXCLSHWBO-UHFFFAOYSA-N 0 0 215.343 2.662 20 10 BFCDRN C[C@H]1SCC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000309845919 633834541 /nfs/dbraw/zinc/83/45/41/633834541.db2.gz TXFVQNZQDNPVLP-KCJUWKMLSA-N 0 0 241.331 2.515 20 10 BFCDRN CC[C@@H](Nc1cnn(C)c1C)c1ccccc1O ZINC000186350327 634071440 /nfs/dbraw/zinc/07/14/40/634071440.db2.gz LPIRKGGTCDJDFJ-GFCCVEGCSA-N 0 0 245.326 2.997 20 10 BFCDRN C[C@@H](CNC(=O)Cc1ccc(N)cc1)C(C)(C)C ZINC000149230442 638241910 /nfs/dbraw/zinc/24/19/10/638241910.db2.gz DAYXNLAWMRFOHS-NSHDSACASA-N 0 0 248.370 2.610 20 10 BFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1CC1 ZINC000190742870 639468575 /nfs/dbraw/zinc/46/85/75/639468575.db2.gz OYSIXHILZRNHRH-UHFFFAOYSA-N 0 0 229.682 2.684 20 10 BFCDRN COC/C(C)=C\CN(C)c1ccc(OC)cc1 ZINC000930845101 639941532 /nfs/dbraw/zinc/94/15/32/639941532.db2.gz LCFCSJLPJBNEHD-XFXZXTDPSA-N 0 0 235.327 2.724 20 10 BFCDRN COC/C(C)=C/CN(C)c1ccc(OC)cc1 ZINC000930845100 639942367 /nfs/dbraw/zinc/94/23/67/639942367.db2.gz LCFCSJLPJBNEHD-FMIVXFBMSA-N 0 0 235.327 2.724 20 10 BFCDRN CC[C@@H](C)CC(=O)Nc1ccc(N)cc1 ZINC000164189734 640455344 /nfs/dbraw/zinc/45/53/44/640455344.db2.gz ITVBLTKIWFJMAA-SECBINFHSA-N 0 0 206.289 2.644 20 10 BFCDRN CCOCCN(C)c1ccc(OCC)cc1 ZINC000157315802 640667145 /nfs/dbraw/zinc/66/71/45/640667145.db2.gz VQWBDLACRDRUIF-UHFFFAOYSA-N 0 0 223.316 2.558 20 10 BFCDRN Cc1cncc(NCc2cc(F)ccc2O)c1 ZINC000226617384 640780127 /nfs/dbraw/zinc/78/01/27/640780127.db2.gz AYTPEKCGQBSDQN-UHFFFAOYSA-N 0 0 232.258 2.847 20 10 BFCDRN CC(C)[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000171913507 641023841 /nfs/dbraw/zinc/02/38/41/641023841.db2.gz KFUCDHCCVWNSFG-LBPRGKRZSA-N 0 0 248.370 2.661 20 10 BFCDRN CN(Cc1ccccc1O)C(=O)C1(C)CC=CC1 ZINC000934704708 641250614 /nfs/dbraw/zinc/25/06/14/641250614.db2.gz GRKMZVHHSRRHBE-UHFFFAOYSA-N 0 0 245.322 2.707 20 10 BFCDRN CC(C)[C@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000088846025 641396478 /nfs/dbraw/zinc/39/64/78/641396478.db2.gz IUGUQVMGSAQVMX-CYBMUJFWSA-N 0 0 247.342 2.921 20 10 BFCDRN C/C(Cl)=C/C(=O)N[C@H](C)c1ccccc1O ZINC000913763452 641469659 /nfs/dbraw/zinc/46/96/59/641469659.db2.gz HBQFNEZHPSRPIP-UFGYOYAJSA-N 0 0 239.702 2.712 20 10 BFCDRN OCCc1ccc(NCc2ccccc2O)cc1 ZINC000040737960 641534419 /nfs/dbraw/zinc/53/44/19/641534419.db2.gz WPPNGILFWXBWKG-UHFFFAOYSA-N 0 0 243.306 2.539 20 10 BFCDRN CC[C@@H](C)CN(C)C(=O)C1=CC(=O)CS1 ZINC000732291374 641829235 /nfs/dbraw/zinc/82/92/35/641829235.db2.gz FIFOGDPHWOKPCE-MRVPVSSYSA-N 0 0 227.329 2.572 20 10 BFCDRN CCCCC(=O)N(C)Cc1ccccc1O ZINC000077258285 641842122 /nfs/dbraw/zinc/84/21/22/641842122.db2.gz MKNKTOFPJYOHBT-UHFFFAOYSA-N 0 0 221.300 2.541 20 10 BFCDRN Cc1ncc(CSc2nccs2)o1 ZINC000916760319 641973339 /nfs/dbraw/zinc/97/33/39/641973339.db2.gz XKRWSTRQUQXXNW-UHFFFAOYSA-N 0 0 212.299 2.732 20 10 BFCDRN CCc1ncc(CSc2nccs2)o1 ZINC000916759511 641974974 /nfs/dbraw/zinc/97/49/74/641974974.db2.gz PKNXSYYIGUCXHI-UHFFFAOYSA-N 0 0 226.326 2.986 20 10 BFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C=C(C)C)c1 ZINC000154473727 642102821 /nfs/dbraw/zinc/10/28/21/642102821.db2.gz KBQMXUXSEHSFAK-SNVBAGLBSA-N 0 0 249.310 2.544 20 10 BFCDRN Nc1ccc(NC(=O)NCC2CCCCC2)cc1 ZINC000035408200 642162338 /nfs/dbraw/zinc/16/23/38/642162338.db2.gz FUIAFLCBVNDJCO-UHFFFAOYSA-N 0 0 247.342 2.971 20 10 BFCDRN CC[C@@H](C)CN(C)C(=O)Nc1ccc(N)cc1 ZINC000035408168 642165321 /nfs/dbraw/zinc/16/53/21/642165321.db2.gz KAZFSNJWSHRDTN-SNVBAGLBSA-N 0 0 235.331 2.779 20 10 BFCDRN CN(C)c1ccc(CN(C)c2nccs2)cc1 ZINC000920964945 642567980 /nfs/dbraw/zinc/56/79/80/642567980.db2.gz RRFYBOWCFPWSFE-UHFFFAOYSA-N 0 0 247.367 2.846 20 10 BFCDRN CC(C)(C)OC(=O)CSc1nccs1 ZINC000064661206 642688817 /nfs/dbraw/zinc/68/88/17/642688817.db2.gz OEZTYEBOXIMVQO-UHFFFAOYSA-N 0 0 231.342 2.577 20 10 BFCDRN c1csc(SCc2noc(C3CC3)n2)n1 ZINC000064669925 642693982 /nfs/dbraw/zinc/69/39/82/642693982.db2.gz CWUYMDPZGXTUAY-UHFFFAOYSA-N 0 0 239.325 2.696 20 10 BFCDRN Cc1cc(C(N)=O)c(C)n1-c1ccccc1C ZINC000120140379 643098624 /nfs/dbraw/zinc/09/86/24/643098624.db2.gz GBIOWWNMDIILAO-UHFFFAOYSA-N 0 0 228.295 2.501 20 10 BFCDRN CC(C)(C)C(=O)NCc1cccc(Cl)c1O ZINC000890758377 643342799 /nfs/dbraw/zinc/34/27/99/643342799.db2.gz WWMXWCHUKDMFCK-UHFFFAOYSA-N 0 0 241.718 2.708 20 10 BFCDRN C[C@@H](O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000307287723 643432858 /nfs/dbraw/zinc/43/28/58/643432858.db2.gz VRFGJXBEXDDIJU-RFZPGFLSSA-N 0 0 223.750 2.658 20 10 BFCDRN C[C@@H]1CC[C@H](C)CN1C(=O)Nc1ccc(N)cc1 ZINC000088708156 644528482 /nfs/dbraw/zinc/52/84/82/644528482.db2.gz ILBVGVYXKWQXMH-WDEREUQCSA-N 0 0 247.342 2.921 20 10 BFCDRN CN(C(=O)C1(C)CCCC1)c1ccc(N)cc1 ZINC000094897519 644732250 /nfs/dbraw/zinc/73/22/50/644732250.db2.gz AJEUIBNVTKMKGD-UHFFFAOYSA-N 0 0 232.327 2.812 20 10 BFCDRN CCc1nc(CNCc2cc(C)ccc2O)co1 ZINC000825050040 645060789 /nfs/dbraw/zinc/06/07/89/645060789.db2.gz GTJJDTAGCGRTSK-UHFFFAOYSA-N 0 0 246.310 2.541 20 10 BFCDRN CC(C)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703296274 711874311 /nfs/dbraw/zinc/87/43/11/711874311.db2.gz QZDHGWIXJFBXPW-QMMMGPOBSA-N 0 0 229.270 2.805 20 10 BFCDRN [O-]c1c(F)cccc1C[NH2+]CC1=CCCC1 ZINC000702364485 712048489 /nfs/dbraw/zinc/04/84/89/712048489.db2.gz FEEMSVDFMZNNOH-UHFFFAOYSA-N 0 0 221.275 2.731 20 10 BFCDRN CC1CC(C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703307348 712072019 /nfs/dbraw/zinc/07/20/19/712072019.db2.gz IHMLBHIHULYTBS-UHFFFAOYSA-N 0 0 241.281 2.806 20 10 BFCDRN COC(=O)CCCCSc1nccs1 ZINC000707466814 712170770 /nfs/dbraw/zinc/17/07/70/712170770.db2.gz BNVIZUJDNJXLGJ-UHFFFAOYSA-N 0 0 231.342 2.579 20 10 BFCDRN c1csc(SC[C@H]2CCCCO2)n1 ZINC000133217492 710969492 /nfs/dbraw/zinc/96/94/92/710969492.db2.gz JQXBBHDLYBCUHD-MRVPVSSYSA-N 0 0 215.343 2.804 20 10 BFCDRN CCCN(CC(C)C)C(=O)Cc1ccc(N)cc1 ZINC000386663872 711034633 /nfs/dbraw/zinc/03/46/33/711034633.db2.gz VTQNOQJKGNKVIM-UHFFFAOYSA-N 0 0 248.370 2.706 20 10 BFCDRN CC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000388804978 711068317 /nfs/dbraw/zinc/06/83/17/711068317.db2.gz OFGADJXAIGOJCC-MFKMUULPSA-N 0 0 247.342 2.969 20 10 BFCDRN COc1ccc(O)c([C@H](C)N[C@H](C)C(F)F)c1 ZINC000389916359 711097308 /nfs/dbraw/zinc/09/73/08/711097308.db2.gz NDUKYIULPLVVJQ-JGVFFNPUSA-N 0 0 245.269 2.705 20 10 BFCDRN CCOc1cccc(CN[C@H](C)C(F)F)c1O ZINC000389922287 711098098 /nfs/dbraw/zinc/09/80/98/711098098.db2.gz SFGIVGJLWBHDGR-MRVPVSSYSA-N 0 0 245.269 2.534 20 10 BFCDRN C[C@H](N[C@H]1CCc2cccc(O)c21)C(F)F ZINC000389930883 711098806 /nfs/dbraw/zinc/09/88/06/711098806.db2.gz DMONVQXJLSZTMA-CBAPKCEASA-N 0 0 227.254 2.623 20 10 BFCDRN COc1ccc(CN[C@H](C)C(F)F)cc1C ZINC000389928578 711099096 /nfs/dbraw/zinc/09/90/96/711099096.db2.gz GKFCLGUPOXRQPI-SECBINFHSA-N 0 0 229.270 2.747 20 10 BFCDRN C[C@@H](CCC1CC1)NC(=O)Cc1ccc(N)cc1 ZINC000398020699 711398850 /nfs/dbraw/zinc/39/88/50/711398850.db2.gz CZFAMOUKHATERL-NSHDSACASA-N 0 0 246.354 2.506 20 10 BFCDRN C[C@@H](N[C@@H](C)c1ccccc1O)c1csnn1 ZINC000398467610 711411241 /nfs/dbraw/zinc/41/12/41/711411241.db2.gz LUXNSSQCSJHZLS-DTWKUNHWSA-N 0 0 249.339 2.656 20 10 BFCDRN CC[C@H]1C[C@H](C)CN1C(=O)Nc1ccc(N)cc1 ZINC000399070611 711419884 /nfs/dbraw/zinc/41/98/84/711419884.db2.gz GMOUKMGBGWWCBB-GWCFXTLKSA-N 0 0 247.342 2.921 20 10 BFCDRN CCc1nc(CNc2ccc(N)cc2)cs1 ZINC000393249084 711675575 /nfs/dbraw/zinc/67/55/75/711675575.db2.gz CVVFUMRYKOQKLC-UHFFFAOYSA-N 0 0 233.340 2.900 20 10 BFCDRN CC(C)CC1(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000701427314 712022794 /nfs/dbraw/zinc/02/27/94/712022794.db2.gz JSDMJAQRWLUEJB-UHFFFAOYSA-N 0 0 246.354 2.506 20 10 BFCDRN Oc1cccc(Cl)c1CN1CCC[C@H](F)C1 ZINC000701673865 712026723 /nfs/dbraw/zinc/02/67/23/712026723.db2.gz NSJDKQWHJFDAQG-VIFPVBQESA-N 0 0 243.709 2.980 20 10 BFCDRN C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC000703348745 712072471 /nfs/dbraw/zinc/07/24/71/712072471.db2.gz RCKIACSDGYPJJX-QMMMGPOBSA-N 0 0 241.281 2.806 20 10 BFCDRN CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703348247 712072708 /nfs/dbraw/zinc/07/27/08/712072708.db2.gz MUEVVUHTFMEXFR-LDYMZIIASA-N 0 0 241.281 2.949 20 10 BFCDRN [O-]c1c(F)c(F)ccc1C[NH2+]CC1=CCCC1 ZINC000703417122 712074424 /nfs/dbraw/zinc/07/44/24/712074424.db2.gz IRJDBGFBVNVMPP-UHFFFAOYSA-N 0 0 239.265 2.870 20 10 BFCDRN C[C@H](F)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000705670760 712135297 /nfs/dbraw/zinc/13/52/97/712135297.db2.gz WIJZAZHIQGQOGQ-QMMMGPOBSA-N 0 0 231.698 2.883 20 10 BFCDRN CC[C@H]([NH2+][C@H]1C[C@H](OC)C1)c1ccccc1O ZINC000706483234 712147598 /nfs/dbraw/zinc/14/75/98/712147598.db2.gz IEBBVTLYVPMXLL-GVXVVHGQSA-N 0 0 235.327 2.610 20 10 BFCDRN CC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708388026 712191739 /nfs/dbraw/zinc/19/17/39/712191739.db2.gz FLJHEGNVQQTGEM-UHFFFAOYSA-N 0 0 227.254 2.560 20 10 BFCDRN CC(C)=CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708391853 712192119 /nfs/dbraw/zinc/19/21/19/712192119.db2.gz WUDJGLDRMIGYKC-UHFFFAOYSA-N 0 0 227.254 2.726 20 10 BFCDRN CC(C)C[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708400651 712192856 /nfs/dbraw/zinc/19/28/56/712192856.db2.gz ORLRJLNIQCXRHI-UHFFFAOYSA-N 0 0 229.270 2.758 20 10 BFCDRN C[C@H]1C[NH+](Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000708398630 712192898 /nfs/dbraw/zinc/19/28/98/712192898.db2.gz JBEQDYVJXOUHNM-IUCAKERBSA-N 0 0 241.281 2.758 20 10 BFCDRN [O-]c1c(F)cc(F)cc1C[NH+]1C2CCC1CC2 ZINC000708423606 712194208 /nfs/dbraw/zinc/19/42/08/712194208.db2.gz UEZTYJVSFMTVBO-UHFFFAOYSA-N 0 0 239.265 2.797 20 10 BFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000708496614 712212249 /nfs/dbraw/zinc/21/22/49/712212249.db2.gz MNMVWFCSQOBPLN-NOZJJQNGSA-N 0 0 239.265 2.703 20 10 BFCDRN C[C@H]1CCCC[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC000714498089 712492419 /nfs/dbraw/zinc/49/24/19/712492419.db2.gz MUKDABYVABSHPI-FZMZJTMJSA-N 0 0 246.354 2.711 20 10 BFCDRN CC[C@H](C)[C@H](C)C(=O)NCc1cc(C)ccc1O ZINC000862757588 712619095 /nfs/dbraw/zinc/61/90/95/712619095.db2.gz ZGEJKYFWNLHHQB-RYUDHWBXSA-N 0 0 249.354 2.999 20 10 BFCDRN C=C/C(C)=C/CC(=O)NCc1cc(C)ccc1O ZINC000862757547 712619135 /nfs/dbraw/zinc/61/91/35/712619135.db2.gz YDBHKZIWWMXOGZ-IZZDOVSWSA-N 0 0 245.322 2.839 20 10 BFCDRN Cc1nc(Sc2nccs2)ccc1C#N ZINC000379984448 712643928 /nfs/dbraw/zinc/64/39/28/712643928.db2.gz UIRKLEPPJJJLNX-UHFFFAOYSA-N 0 0 233.321 2.869 20 10 BFCDRN CN(C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc(N)cc1 ZINC000720806710 712867146 /nfs/dbraw/zinc/86/71/46/712867146.db2.gz QSMQBQRYOGQIDE-TUKIKUTGSA-N 0 0 246.354 2.663 20 10 BFCDRN CN(C)c1ccc(CN2CC(F)C2)c(Cl)c1 ZINC001140921680 960688218 /nfs/dbraw/zinc/68/82/18/960688218.db2.gz MRJHIZFUQOQLEH-UHFFFAOYSA-N 0 0 242.725 2.560 20 10 BFCDRN CC[N@H+](Cc1c([O-])ccc(F)c1F)C1CC1 ZINC001233331758 978560359 /nfs/dbraw/zinc/56/03/59/978560359.db2.gz JTWVSYJXWOMUFE-UHFFFAOYSA-N 0 0 227.254 2.655 20 10 BFCDRN Nc1ccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)cc1 ZINC000402809657 970858398 /nfs/dbraw/zinc/85/83/98/970858398.db2.gz KBWAFNQOJDHRKJ-UHIISALHSA-N 0 0 242.322 2.810 20 10 BFCDRN COc1ccc(N(C)c2ccc(N)cc2)cc1N ZINC001216260462 971006033 /nfs/dbraw/zinc/00/60/33/971006033.db2.gz BFICUPIQZPROHC-UHFFFAOYSA-N 0 0 243.310 2.628 20 10 BFCDRN Nc1ccc(Nc2ccc(F)c(CO)c2)cc1 ZINC001209878774 957551888 /nfs/dbraw/zinc/55/18/88/957551888.db2.gz NPUWXGAEBHAPFN-UHFFFAOYSA-N 0 0 232.258 2.644 20 10 BFCDRN O=C(NCc1ccccc1O)[C@]12C[C@H]1CCCC2 ZINC000693128258 957688252 /nfs/dbraw/zinc/68/82/52/957688252.db2.gz AQJUXCXQVRCKJN-IUODEOHRSA-N 0 0 245.322 2.589 20 10 BFCDRN Cc1cncc(Nc2cccc(O)c2O)c1C ZINC001213530811 958234863 /nfs/dbraw/zinc/23/48/63/958234863.db2.gz MLNIDZDBJNLJJR-UHFFFAOYSA-N 0 0 230.267 2.853 20 10 BFCDRN Oc1cccc(Cl)c1CN1CC[C@H](F)C1 ZINC000689844810 959307184 /nfs/dbraw/zinc/30/71/84/959307184.db2.gz BALYGGHJFHBHNH-QMMMGPOBSA-N 0 0 229.682 2.589 20 10 BFCDRN C[N@H+](CCC1CC1)Cc1c([O-])cc(F)cc1F ZINC001140584378 960443088 /nfs/dbraw/zinc/44/30/88/960443088.db2.gz PFRYNQPFHSIJNA-UHFFFAOYSA-N 0 0 241.281 2.902 20 10 BFCDRN CO[C@@H](C)CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000310169399 961163565 /nfs/dbraw/zinc/16/35/65/961163565.db2.gz PCPSGOOBGQZKMP-VHSXEESVSA-N 0 0 241.306 2.607 20 10 BFCDRN Oc1ccc(Cl)cc1CN1CCC[C@@H](F)C1 ZINC000689888460 963880811 /nfs/dbraw/zinc/88/08/11/963880811.db2.gz WXTJVLNJKJFMBD-LLVKDONJSA-N 0 0 243.709 2.980 20 10 BFCDRN Cc1ccnc(NCc2ccc(O)c(O)c2)c1F ZINC001158996124 963970162 /nfs/dbraw/zinc/97/01/62/963970162.db2.gz WNIWYDFZWAVFQV-UHFFFAOYSA-N 0 0 248.257 2.552 20 10 BFCDRN Cc1cccc(CNc2cc(F)ccn2)c1O ZINC001160765237 964410533 /nfs/dbraw/zinc/41/05/33/964410533.db2.gz XPZSQXPDTMLBBC-UHFFFAOYSA-N 0 0 232.258 2.847 20 10 BFCDRN Cc1cnnc(NCc2c(C)cc(C)cc2O)c1 ZINC001160808279 964415704 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245.244 2.761 20 10 BFCDRN [O-]c1c(F)cccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000160253543 183255875 /nfs/dbraw/zinc/25/58/75/183255875.db2.gz MFOOAWKRVHPFQB-PHIMTYICSA-N 0 0 235.302 2.763 20 10 BFCDRN Oc1ccccc1CNc1ccc(F)cn1 ZINC000083349237 183303694 /nfs/dbraw/zinc/30/36/94/183303694.db2.gz WTYWNODMAZMJTR-UHFFFAOYSA-N 0 0 218.231 2.538 20 10 BFCDRN CCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411482 169267657 /nfs/dbraw/zinc/26/76/57/169267657.db2.gz PHGNXJCDFKMSLG-UHFFFAOYSA-N 0 0 244.132 2.654 20 10 BFCDRN Cc1ccc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000093661135 384257287 /nfs/dbraw/zinc/25/72/87/384257287.db2.gz DQAOKRXGWMRMMP-BETUJISGSA-N 0 0 231.339 2.788 20 10 BFCDRN CN(Cc1nccs1)c1ccc2c(c1)OCO2 ZINC000121412021 384415186 /nfs/dbraw/zinc/41/51/86/384415186.db2.gz SQPUQKAVRWIAIE-UHFFFAOYSA-N 0 0 248.307 2.508 20 10 BFCDRN [O-]c1c(Cl)cccc1C[NH2+]C1CCC1 ZINC000157757576 384485977 /nfs/dbraw/zinc/48/59/77/384485977.db2.gz QOOVZWTZBUMLOA-UHFFFAOYSA-N 0 0 211.692 2.688 20 10 BFCDRN CC(C)[C@@H]1C[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000184312778 384592149 /nfs/dbraw/zinc/59/21/49/384592149.db2.gz JSUGYEPXEOVTSR-QWHCGFSZSA-N 0 0 247.338 2.643 20 10 BFCDRN COC[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000162814736 384692258 /nfs/dbraw/zinc/69/22/58/384692258.db2.gz PVCYZYUSASWJJT-SECBINFHSA-N 0 0 243.734 2.512 20 10 BFCDRN Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)c(O)c1 ZINC000128117132 384995926 /nfs/dbraw/zinc/99/59/26/384995926.db2.gz ILBPRQMPLHTOKQ-GDLCADMTSA-N 0 0 249.354 2.511 20 10 BFCDRN CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062744698 385184264 /nfs/dbraw/zinc/18/42/64/385184264.db2.gz MJHYWTMBOQTVOU-BDAKNGLRSA-N 0 0 211.280 2.980 20 10 BFCDRN CCC[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000113418741 385148474 /nfs/dbraw/zinc/14/84/74/385148474.db2.gz YUIBLMPZGDZHLG-NSHDSACASA-N 0 0 235.327 2.787 20 10 BFCDRN CCN(C[C@H](C)OC)c1ccc(OC)cc1 ZINC000272850881 385943914 /nfs/dbraw/zinc/94/39/14/385943914.db2.gz VLMVYBXGYYPYKM-NSHDSACASA-N 0 0 223.316 2.556 20 10 BFCDRN Oc1c(F)cccc1CN1CCC=C(F)C1 ZINC000274498826 386110808 /nfs/dbraw/zinc/11/08/08/386110808.db2.gz RDXLNVDQFYFCPX-UHFFFAOYSA-N 0 0 225.238 2.590 20 10 BFCDRN CC[C@H]([NH2+]C[C@@H](C)OC)c1ccc(F)cc1[O-] ZINC000287560276 386133731 /nfs/dbraw/zinc/13/37/31/386133731.db2.gz QDRRUYJORUVDJV-SKDRFNHKSA-N 0 0 241.306 2.607 20 10 BFCDRN CN(Cc1ccccc1O)C(=O)/C=C/C(C)(C)C ZINC000264615635 386254391 /nfs/dbraw/zinc/25/43/91/386254391.db2.gz JJPRMSFIOLDPDG-MDZDMXLPSA-N 0 0 247.338 2.953 20 10 BFCDRN CN(C)c1ccc(OCCOC2CCC2)cc1 ZINC000289424350 386301550 /nfs/dbraw/zinc/30/15/50/386301550.db2.gz QWXKMXNNFOKPRF-UHFFFAOYSA-N 0 0 235.327 2.701 20 10 BFCDRN CN(C)c1ccc(CN(C)C(=O)CC2CC2)cc1 ZINC000298325824 386325362 /nfs/dbraw/zinc/32/53/62/386325362.db2.gz XZSQDGHQEHLVSI-UHFFFAOYSA-N 0 0 246.354 2.511 20 10 BFCDRN CN(Cc1ccccc1O)C(=O)C1(C)CCC1 ZINC000267361832 386531793 /nfs/dbraw/zinc/53/17/93/386531793.db2.gz AGBITSPBFIZTCY-UHFFFAOYSA-N 0 0 233.311 2.541 20 10 BFCDRN CO[C@@H](C)CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000271916181 389028131 /nfs/dbraw/zinc/02/81/31/389028131.db2.gz YWHXYRGYDYSZRX-VIFPVBQESA-N 0 0 243.734 2.560 20 10 BFCDRN CN(C[C@@H]1CCC=CO1)c1ccc2c(c1)OCO2 ZINC000194601460 397898829 /nfs/dbraw/zinc/89/88/29/397898829.db2.gz KAQSLPIRGXMFAB-LBPRGKRZSA-N 0 0 247.294 2.544 20 10 BFCDRN CC(C)c1nnc(CSc2nccs2)[nH]1 ZINC000291705688 398098503 /nfs/dbraw/zinc/09/85/03/398098503.db2.gz PISBIQIUCJCLNW-UHFFFAOYSA-N 0 0 240.357 2.677 20 10 BFCDRN CC(C)OCCOc1ccc(N(C)C)cc1 ZINC000289376141 167248314 /nfs/dbraw/zinc/24/83/14/167248314.db2.gz KQRKCRSABACRQW-UHFFFAOYSA-N 0 0 223.316 2.556 20 10 BFCDRN CC1(CNC(=O)Cc2ccc(N)cc2)CCCC1 ZINC000111618531 168029271 /nfs/dbraw/zinc/02/92/71/168029271.db2.gz DZKQJLZAQOGJFK-UHFFFAOYSA-N 0 0 246.354 2.508 20 10 BFCDRN C[C@@H]([NH2+]C1CC(C)C1)c1ccccc1O ZINC000163992069 168148307 /nfs/dbraw/zinc/14/83/07/168148307.db2.gz XCXHAYXZYKJSFO-HSOILSAZSA-N 0 0 205.301 2.841 20 10 BFCDRN CSCCC[N@H+](C)Cc1cccc(F)c1[O-] ZINC000281155715 411452564 /nfs/dbraw/zinc/45/25/64/411452564.db2.gz FTYYYURCGOPNDS-UHFFFAOYSA-N 0 0 243.347 2.716 20 10 BFCDRN CC[C@@H]1CC[C@H](C)N1C(=O)Cc1ccc(N)cc1 ZINC000135917692 171051504 /nfs/dbraw/zinc/05/15/04/171051504.db2.gz ROCAVGQGACZRHS-SMDDNHRTSA-N 0 0 246.354 2.601 20 10 BFCDRN CC[C@H](C)CN(C)C(=O)Nc1ccc(N)cc1 ZINC000035408171 171270259 /nfs/dbraw/zinc/27/02/59/171270259.db2.gz KAZFSNJWSHRDTN-JTQLQIEISA-N 0 0 235.331 2.779 20 10 BFCDRN CCc1nnc(NCc2cc(C)c(C)cc2O)o1 ZINC000295861845 172060124 /nfs/dbraw/zinc/06/01/24/172060124.db2.gz GQHJZAFTRPAJEV-UHFFFAOYSA-N 0 0 247.298 2.567 20 10 BFCDRN CCn1cc(N[C@@H](C)c2cc(F)ccc2O)cn1 ZINC000094617103 172186694 /nfs/dbraw/zinc/18/66/94/172186694.db2.gz SMVTVJIKGHORQT-VIFPVBQESA-N 0 0 249.289 2.921 20 10 BFCDRN CN(C)c1ccc(CNc2cccc(F)n2)cc1 ZINC000060569673 172554328 /nfs/dbraw/zinc/55/43/28/172554328.db2.gz AHHQZAIZEITAHX-UHFFFAOYSA-N 0 0 245.301 2.899 20 10 BFCDRN COCCCOc1ccc(N2CCCC2)cc1 ZINC000183262841 174257056 /nfs/dbraw/zinc/25/70/56/174257056.db2.gz 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CVMWSZPKMGOKSQ-LCYFTJDESA-N 0 0 249.285 2.662 20 10 BFCDRN C[C@@H](C(=O)Nc1ccc(N)cc1)C(C)(C)C ZINC000220439861 584902988 /nfs/dbraw/zinc/90/29/88/584902988.db2.gz QSMZDXOXBKOWKP-VIFPVBQESA-N 0 0 220.316 2.890 20 10 BFCDRN COc1ccc(N(C)C[C@@H]2C[C@@H]2C)cc1F ZINC000754145603 584913912 /nfs/dbraw/zinc/91/39/12/584913912.db2.gz VSKTZUAVTARGBW-UWVGGRQHSA-N 0 0 223.291 2.927 20 10 BFCDRN O=C(Nc1ccc(F)cc1)C1=CC(=O)CS1 ZINC000731865645 584929985 /nfs/dbraw/zinc/92/99/85/584929985.db2.gz NTDIGNUOYHKBDA-UHFFFAOYSA-N 0 0 237.255 2.845 20 10 BFCDRN CCC[C@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000731869361 584930856 /nfs/dbraw/zinc/93/08/56/584930856.db2.gz FUQYBOZBUXEQAJ-QMMMGPOBSA-N 0 0 227.329 2.714 20 10 BFCDRN C[C@H]1CCC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732268619 584934979 /nfs/dbraw/zinc/93/49/79/584934979.db2.gz KWWYDQBJCZINLO-DTWKUNHWSA-N 0 0 239.340 2.762 20 10 BFCDRN C[C@@H]1CCC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000732268623 584935019 /nfs/dbraw/zinc/93/50/19/584935019.db2.gz 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BFCDRN CC(C)(CNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000887371879 592495778 /nfs/dbraw/zinc/49/57/78/592495778.db2.gz JRSMKRRLAXGGNQ-UHFFFAOYSA-N 0 0 239.340 2.620 20 10 BFCDRN CCC(=CC(=O)NCCc1ccc(N)cc1)CC ZINC000236924788 635646607 /nfs/dbraw/zinc/64/66/07/635646607.db2.gz MZSYLLWJLZAECD-UHFFFAOYSA-N 0 0 246.354 2.674 20 10 BFCDRN C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000309288910 631994652 /nfs/dbraw/zinc/99/46/52/631994652.db2.gz JFIOFBIJZYAQTM-HOTUBEGUSA-N 0 0 223.291 2.980 20 10 BFCDRN C[C@H]1SCC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000309845922 632675202 /nfs/dbraw/zinc/67/52/02/632675202.db2.gz TXFVQNZQDNPVLP-LDYMZIIASA-N 0 0 241.331 2.515 20 10 BFCDRN Cc1ccc(O)c(CNc2cncc(F)c2)c1 ZINC000310257728 632711238 /nfs/dbraw/zinc/71/12/38/632711238.db2.gz JLCQFSFNNXRFOE-UHFFFAOYSA-N 0 0 232.258 2.847 20 10 BFCDRN Cc1ccoc1C[NH2+]Cc1cccc(F)c1[O-] ZINC000310290380 632716268 /nfs/dbraw/zinc/71/62/68/632716268.db2.gz YXMTXPGYBQCPIL-UHFFFAOYSA-N 0 0 235.258 2.723 20 10 BFCDRN CC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000165415345 633091441 /nfs/dbraw/zinc/09/14/41/633091441.db2.gz PAYBTJDCJPFTIY-LLVKDONJSA-N 0 0 223.291 2.906 20 10 BFCDRN CC[C@@H]([NH2+]CCCF)c1ccc(F)cc1[O-] ZINC000310041116 634066524 /nfs/dbraw/zinc/06/65/24/634066524.db2.gz YGNAKZKIITZPFT-LLVKDONJSA-N 0 0 229.270 2.932 20 10 BFCDRN CN(Cc1cc2c(cc1O)CCC2)CC(F)F ZINC000728901534 636408674 /nfs/dbraw/zinc/40/86/74/636408674.db2.gz QMUKWIOKXLYTAE-UHFFFAOYSA-N 0 0 241.281 2.578 20 10 BFCDRN CC(C)(/C=C\Cl)NC(=O)C1=CC(=O)CS1 ZINC000928929274 636525627 /nfs/dbraw/zinc/52/56/27/636525627.db2.gz QPFBISPLXFTEOH-ARJAWSKDSA-N 0 0 245.731 2.715 20 10 BFCDRN CCc1ncc(CN(C)c2ccc(OC)cc2)o1 ZINC000930841787 639940360 /nfs/dbraw/zinc/94/03/60/639940360.db2.gz NYZDOXUOZBYBES-UHFFFAOYSA-N 0 0 246.310 2.882 20 10 BFCDRN CC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000165415476 640575414 /nfs/dbraw/zinc/57/54/14/640575414.db2.gz PAYBTJDCJPFTIY-NSHDSACASA-N 0 0 223.291 2.906 20 10 BFCDRN C[C@@H](C[NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000226586281 640777625 /nfs/dbraw/zinc/77/76/25/640777625.db2.gz RQKOXQKJJCKKEK-VIFPVBQESA-N 0 0 223.291 2.667 20 10 BFCDRN CC[C@@H]([NH2+]C1CC(OC)C1)c1ccccc1O ZINC000229578440 640967625 /nfs/dbraw/zinc/96/76/25/640967625.db2.gz IEBBVTLYVPMXLL-GCZXYKMCSA-N 0 0 235.327 2.610 20 10 BFCDRN FC(F)(F)CNCc1ccc2c(c1)CCCO2 ZINC000062351270 641040529 /nfs/dbraw/zinc/04/05/29/641040529.db2.gz OJTPHZLSVMGPAM-UHFFFAOYSA-N 0 0 245.244 2.664 20 10 BFCDRN O=C(C[C@H]1CC=CCC1)NCc1ccccc1O ZINC000934935870 641306310 /nfs/dbraw/zinc/30/63/10/641306310.db2.gz NACCIJVWSMAYJZ-LBPRGKRZSA-N 0 0 245.322 2.755 20 10 BFCDRN CC[C@@H]([NH2+]Cc1cccc(F)c1[O-])C1CC1 ZINC000324024653 641360213 /nfs/dbraw/zinc/36/02/13/641360213.db2.gz QVPVENKUUZFPOA-GFCCVEGCSA-N 0 0 223.291 2.810 20 10 BFCDRN Cc1cccc(CN2CCC(F)(F)C2)c1O ZINC000313318610 641555937 /nfs/dbraw/zinc/55/59/37/641555937.db2.gz NKLBQVFETIDQIM-UHFFFAOYSA-N 0 0 227.254 2.542 20 10 BFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C ZINC000048622042 641696040 /nfs/dbraw/zinc/69/60/40/641696040.db2.gz ANYQHJLUSKWBBS-UHFFFAOYSA-N 0 0 248.351 2.857 20 10 BFCDRN CC[C@H](C)CN(C)C(=O)C1=CC(=O)CS1 ZINC000732291375 641828537 /nfs/dbraw/zinc/82/85/37/641828537.db2.gz FIFOGDPHWOKPCE-QMMMGPOBSA-N 0 0 227.329 2.572 20 10 BFCDRN CCC(C)(C)CNC(=O)Nc1ccc(N)cc1 ZINC000232927955 642444133 /nfs/dbraw/zinc/44/41/33/642444133.db2.gz AKXMFPQSJYJANJ-UHFFFAOYSA-N 0 0 235.331 2.827 20 10 BFCDRN CCCCNC(=O)[C@H](C)Sc1nccs1 ZINC000064661721 642688421 /nfs/dbraw/zinc/68/84/21/642688421.db2.gz QBZFDUIYQDZMRL-QMMMGPOBSA-N 0 0 244.385 2.540 20 10 BFCDRN CC[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115281059 642981412 /nfs/dbraw/zinc/98/14/12/642981412.db2.gz PNKLBYQPLOITKA-LLVKDONJSA-N 0 0 248.370 2.723 20 10 BFCDRN C[C@H](NC(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000070308413 643017170 /nfs/dbraw/zinc/01/71/70/643017170.db2.gz WPRFDWOVJKGMJT-JTQLQIEISA-N 0 0 247.342 2.969 20 10 BFCDRN CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000247942915 644657088 /nfs/dbraw/zinc/65/70/88/644657088.db2.gz NTBXBHRBCBPUCG-UHFFFAOYSA-N 0 0 245.278 2.534 20 10 BFCDRN CCCCC(=O)NCc1ccc(N(C)C)cc1C ZINC000115280044 645581241 /nfs/dbraw/zinc/58/12/41/645581241.db2.gz JLHQHXPQMFMEFX-UHFFFAOYSA-N 0 0 248.370 2.867 20 10 BFCDRN CCOc1ccc(N(C)Cc2nncs2)cc1 ZINC000929698059 646252650 /nfs/dbraw/zinc/25/26/50/646252650.db2.gz XOTMOLCPVGEGDH-UHFFFAOYSA-N 0 0 249.339 2.573 20 10 BFCDRN C[C@H]([NH2+]C1CCC1)c1cc(F)cc(F)c1[O-] ZINC000393791704 711678564 /nfs/dbraw/zinc/67/85/64/711678564.db2.gz MMYYQZOXIXEHFF-ZETCQYMHSA-N 0 0 227.254 2.874 20 10 BFCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000708393269 712191571 /nfs/dbraw/zinc/19/15/71/712191571.db2.gz AUXXMXYHQXZNLL-ZETCQYMHSA-N 0 0 227.254 2.559 20 10 BFCDRN CCC1(C)CN(C(=O)Nc2ccc(N)cc2)C1 ZINC000381733745 710688842 /nfs/dbraw/zinc/68/88/42/710688842.db2.gz WNMHJRKAKWNPJA-UHFFFAOYSA-N 0 0 233.315 2.533 20 10 BFCDRN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C(C)(C)C1 ZINC000380560216 712901686 /nfs/dbraw/zinc/90/16/86/712901686.db2.gz KWPWVKXBJHWVDW-JTQLQIEISA-N 0 0 247.342 2.921 20 10 BFCDRN C[C@@H](NCc1cc(Cl)ccc1O)C(F)F ZINC000389942060 711100127 /nfs/dbraw/zinc/10/01/27/711100127.db2.gz NNEFIJLZXBBFIK-ZCFIWIBFSA-N 0 0 235.661 2.789 20 10 BFCDRN Cc1ccc(O)c([C@@H](C)NCc2cocn2)c1 ZINC000397958074 711397394 /nfs/dbraw/zinc/39/73/94/711397394.db2.gz GFTSWDSSFAFAEN-SNVBAGLBSA-N 0 0 232.283 2.539 20 10 BFCDRN C[C@H](CCC1CC1)NC(=O)Cc1ccc(N)cc1 ZINC000398020697 711398741 /nfs/dbraw/zinc/39/87/41/711398741.db2.gz CZFAMOUKHATERL-LLVKDONJSA-N 0 0 246.354 2.506 20 10 BFCDRN CC[C@@H]1C[C@@H](C)CN1C(=O)Nc1ccc(N)cc1 ZINC000399070617 711420491 /nfs/dbraw/zinc/42/04/91/711420491.db2.gz GMOUKMGBGWWCBB-ZWNOBZJWSA-N 0 0 247.342 2.921 20 10 BFCDRN C[C@H]1CCC[C@H](C(=O)NCc2ccc(N)cc2)C1 ZINC000383254116 710979382 /nfs/dbraw/zinc/97/93/82/710979382.db2.gz WVUHYJWUAPFQDN-AAEUAGOBSA-N 0 0 246.354 2.711 20 10 BFCDRN C[C@H](CO)CSc1ncc(Cl)s1 ZINC000307994347 711501745 /nfs/dbraw/zinc/50/17/45/711501745.db2.gz AUZWWMBLXYWLNG-RXMQYKEDSA-N 0 0 223.750 2.517 20 10 BFCDRN COc1ccc(O)c(CNc2ccc(F)nc2)c1 ZINC000226664706 711831558 /nfs/dbraw/zinc/83/15/58/711831558.db2.gz MDJIWMRVJJODJR-UHFFFAOYSA-N 0 0 248.257 2.547 20 10 BFCDRN Oc1ccc(F)cc1CNc1ccc(F)nc1 ZINC000226664723 711831592 /nfs/dbraw/zinc/83/15/92/711831592.db2.gz GWAWBIGCIVKEHX-UHFFFAOYSA-N 0 0 236.221 2.678 20 10 BFCDRN CC1(C)C[C@@]1(C)CNC(=O)Nc1ccc(N)cc1 ZINC000702377596 712049175 /nfs/dbraw/zinc/04/91/75/712049175.db2.gz NUSXYJSMTZKDFK-AWEZNQCLSA-N 0 0 247.342 2.827 20 10 BFCDRN CCC1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703346913 712072412 /nfs/dbraw/zinc/07/24/12/712072412.db2.gz FYYBRSVGFHFRTH-UHFFFAOYSA-N 0 0 241.281 2.950 20 10 BFCDRN CC1(C)C[C@]1(C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703379062 712072750 /nfs/dbraw/zinc/07/27/50/712072750.db2.gz FYFXEYMACOAPEC-ZDUSSCGKSA-N 0 0 241.281 2.949 20 10 BFCDRN C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703364457 712073848 /nfs/dbraw/zinc/07/38/48/712073848.db2.gz LMFUADLARFHIEO-LDYMZIIASA-N 0 0 241.281 2.949 20 10 BFCDRN CC/C=C\C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703382633 712074766 /nfs/dbraw/zinc/07/47/66/712074766.db2.gz PWSJLWSABBQMBD-ARJAWSKDSA-N 0 0 227.254 2.726 20 10 BFCDRN C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]1C ZINC000703444927 712076161 /nfs/dbraw/zinc/07/61/61/712076161.db2.gz AGFVLEXIWGNVOG-RKDXNWHRSA-N 0 0 241.281 2.901 20 10 BFCDRN C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703447872 712076194 /nfs/dbraw/zinc/07/61/94/712076194.db2.gz MOBWFWVUUGTRCG-QMMMGPOBSA-N 0 0 227.254 2.655 20 10 BFCDRN CC(C)C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703461506 712076202 /nfs/dbraw/zinc/07/62/02/712076202.db2.gz USVKADWQWYSYPG-UHFFFAOYSA-N 0 0 229.270 2.758 20 10 BFCDRN C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703484780 712076437 /nfs/dbraw/zinc/07/64/37/712076437.db2.gz YUNDWIRHZFQTIW-SECBINFHSA-N 0 0 241.281 2.902 20 10 BFCDRN CC[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703484845 712076481 /nfs/dbraw/zinc/07/64/81/712076481.db2.gz ZPKSIEAHEHEAHZ-SECBINFHSA-N 0 0 241.281 2.902 20 10 BFCDRN CC1([NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000708389457 712191616 /nfs/dbraw/zinc/19/16/16/712191616.db2.gz KURJFTSMUGKUSQ-UHFFFAOYSA-N 0 0 227.254 2.703 20 10 BFCDRN CC1(C)C[C@]1(C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708389952 712191848 /nfs/dbraw/zinc/19/18/48/712191848.db2.gz NLLQJGOPJQNAIZ-ZDUSSCGKSA-N 0 0 241.281 2.949 20 10 BFCDRN CC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708390970 712191916 /nfs/dbraw/zinc/19/19/16/712191916.db2.gz SCIZACYQMQRQLW-SSDOTTSWSA-N 0 0 215.243 2.559 20 10 BFCDRN CC1(C)C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708393241 712192139 /nfs/dbraw/zinc/19/21/39/712192139.db2.gz AFWSPOMRZULJOK-JTQLQIEISA-N 0 0 227.254 2.559 20 10 BFCDRN C[C@@H]1C[NH+](Cc2cc(F)cc(F)c2[O-])C[C@H]1C ZINC000708398632 712192410 /nfs/dbraw/zinc/19/24/10/712192410.db2.gz JBEQDYVJXOUHNM-RKDXNWHRSA-N 0 0 241.281 2.758 20 10 BFCDRN C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@H]1C ZINC000708398628 712192607 /nfs/dbraw/zinc/19/26/07/712192607.db2.gz JBEQDYVJXOUHNM-DTORHVGOSA-N 0 0 241.281 2.758 20 10 BFCDRN C[C@H]1C[C@H](C)[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708402885 712192808 /nfs/dbraw/zinc/19/28/08/712192808.db2.gz XHOUNLIXZGTIDO-IUCAKERBSA-N 0 0 241.281 2.901 20 10 BFCDRN CC[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708400777 712192894 /nfs/dbraw/zinc/19/28/94/712192894.db2.gz PHWHUNQLRIGOAU-VIFPVBQESA-N 0 0 241.281 2.902 20 10 BFCDRN CC[C@H](C)CCNC(=O)Nc1ccc(N)cc1 ZINC000710215975 712248043 /nfs/dbraw/zinc/24/80/43/712248043.db2.gz PUNLXPWSCRNXAX-JTQLQIEISA-N 0 0 235.331 2.827 20 10 BFCDRN C[C@H](CC1CCC1)NC(=O)Nc1ccc(N)cc1 ZINC000710298308 712250678 /nfs/dbraw/zinc/25/06/78/712250678.db2.gz RBYYPYKHKBJGPF-SNVBAGLBSA-N 0 0 247.342 2.969 20 10 BFCDRN C[C@@H](CC1CCC1)NC(=O)Nc1ccc(N)cc1 ZINC000710298307 712250953 /nfs/dbraw/zinc/25/09/53/712250953.db2.gz RBYYPYKHKBJGPF-JTQLQIEISA-N 0 0 247.342 2.969 20 10 BFCDRN CCC[C@H](C)N(C)C(=O)Nc1ccc(N)cc1 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PFZQXADTNWAUJJ-UHFFFAOYSA-N 0 0 235.331 2.923 20 10 BFCDRN CCCN(Cc1ccccc1O)C(=O)CC1CC1 ZINC000264003476 169177834 /nfs/dbraw/zinc/17/78/34/169177834.db2.gz HQVXEVFTXHFXHA-UHFFFAOYSA-N 0 0 247.338 2.931 20 10 BFCDRN CCCOC(=O)[C@H](C)Sc1nccs1 ZINC000153815781 169299636 /nfs/dbraw/zinc/29/96/36/169299636.db2.gz PFVJXIQCXLEKCY-ZETCQYMHSA-N 0 0 231.342 2.577 20 10 BFCDRN CCC[C@@H](C)CC(=O)NCc1ccc(N)cc1 ZINC000297129475 169356063 /nfs/dbraw/zinc/35/60/63/169356063.db2.gz HEVQNGDNPWVAAC-LLVKDONJSA-N 0 0 234.343 2.711 20 10 BFCDRN CCC[C@@H](C)N(C)C(=O)Nc1ccc(N)cc1 ZINC000036791621 169362841 /nfs/dbraw/zinc/36/28/41/169362841.db2.gz ISIKENQRYLOBKD-SNVBAGLBSA-N 0 0 235.331 2.921 20 10 BFCDRN CC[C@H](C[NH2+][C@H](C)c1cc(C)ccc1O)OC ZINC000290271045 383963225 /nfs/dbraw/zinc/96/32/25/383963225.db2.gz WDYHHENFLHYYTR-VXGBXAGGSA-N 0 0 237.343 2.776 20 10 BFCDRN FC(F)(F)COCSc1nccs1 ZINC000278486858 384003223 /nfs/dbraw/zinc/00/32/23/384003223.db2.gz AOZYEPSZMZWCRG-UHFFFAOYSA-N 0 0 229.248 2.772 20 10 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C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000230667566 385746379 /nfs/dbraw/zinc/74/63/79/385746379.db2.gz ZUPRZACBINEJHI-PSASIEDQSA-N 0 0 241.331 2.687 20 10 BFCDRN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C)c(C)cc2O)C1 ZINC000285105713 385899757 /nfs/dbraw/zinc/89/97/57/385899757.db2.gz NSPFDLXTHULKIG-OKILXGFUSA-N 0 0 249.354 2.618 20 10 BFCDRN Cc1ccc(O)c(C[N@@H+]2CCCSCC2)c1 ZINC000273375828 385994755 /nfs/dbraw/zinc/99/47/55/385994755.db2.gz GPUVFEIZVBJREN-UHFFFAOYSA-N 0 0 237.368 2.640 20 10 BFCDRN CC(C)(C)CCC(=O)NCc1ccccc1O ZINC000265834279 386376643 /nfs/dbraw/zinc/37/66/43/386376643.db2.gz VLNLIJLQKOUVNM-UHFFFAOYSA-N 0 0 235.327 2.835 20 10 BFCDRN CCC[C@H](C)CC(=O)NCc1ccccc1O ZINC000299656591 386477928 /nfs/dbraw/zinc/47/79/28/386477928.db2.gz UREPSFWFEPNLRP-NSHDSACASA-N 0 0 235.327 2.835 20 10 BFCDRN Clc1cnc(Sc2nccs2)nc1 ZINC000301476702 386847489 /nfs/dbraw/zinc/84/74/89/386847489.db2.gz BKRXJQLFCKOFAF-UHFFFAOYSA-N 0 0 229.717 2.738 20 10 BFCDRN Clc1cnc(S[C@@H]2CCOC2)s1 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/nfs/dbraw/zinc/23/46/56/592234656.db2.gz CMVUESLUVXSKRQ-SNVBAGLBSA-N 0 0 241.306 2.609 20 10 BFCDRN CCCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886487826 592235109 /nfs/dbraw/zinc/23/51/09/592235109.db2.gz WVTKAKZTJWYDKG-SECBINFHSA-N 0 0 211.280 2.982 20 10 BFCDRN C[C@@H]([NH2+]C1CCC1)c1c([O-])cccc1F ZINC000886545984 592257244 /nfs/dbraw/zinc/25/72/44/592257244.db2.gz WHOSALVCVIILQV-MRVPVSSYSA-N 0 0 209.264 2.734 20 10 BFCDRN C[C@@H]([NH2+][C@@H]1CCSC1)c1c([O-])cccc1F ZINC000886549797 592257332 /nfs/dbraw/zinc/25/73/32/592257332.db2.gz NNLOPFUNVKQFPR-RKDXNWHRSA-N 0 0 241.331 2.687 20 10 BFCDRN C[C@H]([NH2+]C1CC(C)C1)c1c([O-])cccc1F ZINC000886549614 592257515 /nfs/dbraw/zinc/25/75/15/592257515.db2.gz KWVXRBZLVIYVFV-KYHHOPLUSA-N 0 0 223.291 2.980 20 10 BFCDRN CCOC[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886593854 592270157 /nfs/dbraw/zinc/27/01/57/592270157.db2.gz ATYAVULECYIALU-VHSXEESVSA-N 0 0 241.306 2.607 20 10 BFCDRN C[C@H](NC1(C(F)F)CC1)c1c(O)cccc1F ZINC000886607136 592274142 /nfs/dbraw/zinc/27/41/42/592274142.db2.gz LMDBFPUVMTYJIU-ZETCQYMHSA-N 0 0 245.244 2.980 20 10 BFCDRN C[C@H](F)CC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886616184 592275870 /nfs/dbraw/zinc/27/58/70/592275870.db2.gz WLJUWIXQNTUOFI-IUCAKERBSA-N 0 0 229.270 2.930 20 10 BFCDRN Nc1ccc(NC(=O)NC2CCC=CCC2)cc1 ZINC000886960980 592402115 /nfs/dbraw/zinc/40/21/15/592402115.db2.gz ITPXEPOFFUTXCZ-UHFFFAOYSA-N 0 0 245.326 2.889 20 10 BFCDRN CCSCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000308839978 631679254 /nfs/dbraw/zinc/67/92/54/631679254.db2.gz XWIYMTAICMPEQX-UHFFFAOYSA-N 0 0 245.775 2.888 20 10 BFCDRN Cc1nc(C)c(CNc2ccc(N)cc2)s1 ZINC000309520996 632468987 /nfs/dbraw/zinc/46/89/87/632468987.db2.gz BOPKCFYJWCIDNS-UHFFFAOYSA-N 0 0 233.340 2.954 20 10 BFCDRN CC[C@H]([NH2+]CCOC)c1cccc(Cl)c1[O-] ZINC000310038261 632695967 /nfs/dbraw/zinc/69/59/67/632695967.db2.gz VXLHOTSYHMPOEM-NSHDSACASA-N 0 0 243.734 2.733 20 10 BFCDRN CC[C@H]([NH2+]CCCF)c1ccc(F)cc1[O-] ZINC000310041117 632697314 /nfs/dbraw/zinc/69/73/14/632697314.db2.gz YGNAKZKIITZPFT-NSHDSACASA-N 0 0 229.270 2.932 20 10 BFCDRN Nc1ccc(NC(=O)C(C2CC2)C2CC2)cc1 ZINC000310152767 632705559 /nfs/dbraw/zinc/70/55/59/632705559.db2.gz HYSXIDVHVCJINO-UHFFFAOYSA-N 0 0 230.311 2.644 20 10 BFCDRN CCCN1CCCc2cc(OC)ccc21 ZINC000039614138 632765694 /nfs/dbraw/zinc/76/56/94/632765694.db2.gz UHQQDHDTKMPNKI-UHFFFAOYSA-N 0 0 205.301 2.858 20 10 BFCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccncc1 ZINC000161608602 633009761 /nfs/dbraw/zinc/00/97/61/633009761.db2.gz ACPNKHPKESKROG-UHFFFAOYSA-N 0 0 248.713 2.730 20 10 BFCDRN CCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000048693863 635890383 /nfs/dbraw/zinc/89/03/83/635890383.db2.gz QHXKZDCTPXWPAC-UHFFFAOYSA-N 0 0 248.351 2.905 20 10 BFCDRN C[C@H]1C[C@H](C)[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000163164850 636080099 /nfs/dbraw/zinc/08/00/99/636080099.db2.gz OIZYMBBMDCWDNS-UWVGGRQHSA-N 0 0 223.291 2.762 20 10 BFCDRN [O-]c1c(F)cccc1C[NH2+]CCCC1CC1 ZINC000163175223 636131746 /nfs/dbraw/zinc/13/17/46/636131746.db2.gz AVQPWHPHUNIZDW-UHFFFAOYSA-N 0 0 223.291 2.811 20 10 BFCDRN Oc1ccc(F)cc1CN1CC(C(F)(F)F)C1 ZINC000894891408 635999475 /nfs/dbraw/zinc/99/94/75/635999475.db2.gz CHLULGQUDQJGJR-UHFFFAOYSA-N 0 0 249.207 2.525 20 10 BFCDRN CN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)c1ccc(N)cc1 ZINC000250237229 636752370 /nfs/dbraw/zinc/75/23/70/636752370.db2.gz OUDCLVHSGPMAHE-WDNDVIMCSA-N 0 0 244.338 2.668 20 10 BFCDRN Nc1ccc(NC(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)cc1 ZINC000904499631 637432302 /nfs/dbraw/zinc/43/23/02/637432302.db2.gz HBXXLUCRJNFNGG-JIMOISOXSA-N 0 0 245.326 2.579 20 10 BFCDRN C[C@@H](N[C@H](C)c1ccccc1O)c1ncccn1 ZINC000931553908 640273457 /nfs/dbraw/zinc/27/34/57/640273457.db2.gz IMOIEJFGFLSECL-GHMZBOCLSA-N 0 0 243.310 2.594 20 10 BFCDRN CC[C@H](C)CC(=O)Nc1ccc(N)cc1 ZINC000164189836 640455528 /nfs/dbraw/zinc/45/55/28/640455528.db2.gz ITVBLTKIWFJMAA-VIFPVBQESA-N 0 0 206.289 2.644 20 10 BFCDRN Cc1ncccc1NCc1cc(F)ccc1O ZINC000226617305 640780446 /nfs/dbraw/zinc/78/04/46/640780446.db2.gz SPEJSDGNZPDQPJ-UHFFFAOYSA-N 0 0 232.258 2.847 20 10 BFCDRN C[C@@H]1CC[C@@H](CNC(=O)Nc2ccc(N)cc2)C1 ZINC000230430306 641055597 /nfs/dbraw/zinc/05/55/97/641055597.db2.gz XSPXXBUQXXKQJD-GHMZBOCLSA-N 0 0 247.342 2.827 20 10 BFCDRN CCc1cnc(CNc2ccc(N)cc2)s1 ZINC000234265397 641158916 /nfs/dbraw/zinc/15/89/16/641158916.db2.gz IPCMQHQTXXAYBT-UHFFFAOYSA-N 0 0 233.340 2.900 20 10 BFCDRN CC(C)(NC(=O)Nc1ccc(N)cc1)C1CC1 ZINC000232523919 641294416 /nfs/dbraw/zinc/29/44/16/641294416.db2.gz JXHYOLPAHVZMMZ-UHFFFAOYSA-N 0 0 233.315 2.579 20 10 BFCDRN CC1(CNC(=O)Nc2ccc(N)cc2)CCC1 ZINC000232883857 642075314 /nfs/dbraw/zinc/07/53/14/642075314.db2.gz RIWHYQSHLWVJSM-UHFFFAOYSA-N 0 0 233.315 2.581 20 10 BFCDRN Cc1noc([C@@H](C)Sc2nccs2)n1 ZINC000919676972 642374190 /nfs/dbraw/zinc/37/41/90/642374190.db2.gz LZMQFZGXECBEFM-RXMQYKEDSA-N 0 0 227.314 2.688 20 10 BFCDRN c1csc(SC[C@@H]2CCCOC2)n1 ZINC000306493200 643329081 /nfs/dbraw/zinc/32/90/81/643329081.db2.gz RBRGJBYXOIKEED-MRVPVSSYSA-N 0 0 215.343 2.662 20 10 BFCDRN c1csc(SC[C@H]2CCCOC2)n1 ZINC000306493201 643330318 /nfs/dbraw/zinc/33/03/18/643330318.db2.gz RBRGJBYXOIKEED-QMMMGPOBSA-N 0 0 215.343 2.662 20 10 BFCDRN CN(CC(C)(C)C)C(=O)Nc1ccc(N)cc1 ZINC000045089910 643549638 /nfs/dbraw/zinc/54/96/38/643549638.db2.gz KMRWRLPLBNRCLH-UHFFFAOYSA-N 0 0 235.331 2.779 20 10 BFCDRN CCCCOCCN(C)c1ccc(N)cc1 ZINC000049262582 643617672 /nfs/dbraw/zinc/61/76/72/643617672.db2.gz UUKOEYMJRYYNFM-UHFFFAOYSA-N 0 0 222.332 2.522 20 10 BFCDRN C[C@@H]([NH2+]CCC1CC1)c1ccc(F)cc1[O-] ZINC000083893845 643630423 /nfs/dbraw/zinc/63/04/23/643630423.db2.gz JQZAPXQGVWBDRW-SECBINFHSA-N 0 0 223.291 2.982 20 10 BFCDRN CC[C@H](C)N1CCOc2cc(N(C)C)ccc21 ZINC000192780727 644182770 /nfs/dbraw/zinc/18/27/70/644182770.db2.gz DDJHDWBRFWSEKV-NSHDSACASA-N 0 0 234.343 2.750 20 10 BFCDRN CC(C)[C@@H](C)CNC(=O)Nc1ccc(N)cc1 ZINC000081069788 644307132 /nfs/dbraw/zinc/30/71/32/644307132.db2.gz INAOTTYOXFHQOG-JTQLQIEISA-N 0 0 235.331 2.682 20 10 BFCDRN CC1(NC(=O)Nc2ccc(N)cc2)CCCC1 ZINC000084235357 644420737 /nfs/dbraw/zinc/42/07/37/644420737.db2.gz PKMPJGVOLOAGMV-UHFFFAOYSA-N 0 0 233.315 2.723 20 10 BFCDRN COc1ccc(CSc2nccs2)cn1 ZINC000749134497 644589915 /nfs/dbraw/zinc/58/99/15/644589915.db2.gz IPOFPPKMGUQLFE-UHFFFAOYSA-N 0 0 238.337 2.839 20 10 BFCDRN CN(c1ccc2c(c1)OCO2)[C@H]1C=CCCC1 ZINC000756654844 644628589 /nfs/dbraw/zinc/62/85/89/644628589.db2.gz NOFGCPJBIJRYAW-NSHDSACASA-N 0 0 231.295 2.960 20 10 BFCDRN CN(C)c1ccc(CNC(=O)CC2(C)CC2)cc1 ZINC000757791399 644632109 /nfs/dbraw/zinc/63/21/09/644632109.db2.gz FKYKMJJPVMAETR-UHFFFAOYSA-N 0 0 246.354 2.559 20 10 BFCDRN CC1(C)CC(CNC(=O)C2=CC(=O)CS2)C1 ZINC000782076619 644738527 /nfs/dbraw/zinc/73/85/27/644738527.db2.gz FBNMWTLFLJUBBQ-UHFFFAOYSA-N 0 0 239.340 2.620 20 10 BFCDRN CC(C)CN(C(=O)C1=CC(=O)CS1)C(C)C ZINC000825044128 645059996 /nfs/dbraw/zinc/05/99/96/645059996.db2.gz QREBLVGTZGXTPF-UHFFFAOYSA-N 0 0 241.356 2.960 20 10 BFCDRN Nc1ccc(CNC(=O)C[C@@H]2CC=CCC2)cc1 ZINC000927767577 645651671 /nfs/dbraw/zinc/65/16/71/645651671.db2.gz HCGFBQDVAHBIHV-GFCCVEGCSA-N 0 0 244.338 2.631 20 10 BFCDRN CCCCCNC(=O)Nc1ccc(N)cc1 ZINC000035407700 646393209 /nfs/dbraw/zinc/39/32/09/646393209.db2.gz MRGVJMLXEIAASS-UHFFFAOYSA-N 0 0 221.304 2.581 20 10 BFCDRN CS[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000164636236 711682643 /nfs/dbraw/zinc/68/26/43/711682643.db2.gz QMIVGPYKHKABKZ-DTWKUNHWSA-N 0 0 243.347 2.933 20 10 BFCDRN CCCCOC(=O)[C@H](C)Sc1nccs1 ZINC000153814748 711937756 /nfs/dbraw/zinc/93/77/56/711937756.db2.gz NHMYHQFZLJLMSJ-QMMMGPOBSA-N 0 0 245.369 2.967 20 10 BFCDRN CC1([NH2+]Cc2ccc(F)c(F)c2[O-])CC=CC1 ZINC000703394942 712075497 /nfs/dbraw/zinc/07/54/97/712075497.db2.gz NVZBNZZZUOYIOW-UHFFFAOYSA-N 0 0 239.265 2.869 20 10 BFCDRN C[C@H](CC(=O)Nc1ccc(N)cc1)C(F)(F)F ZINC000705484344 712132064 /nfs/dbraw/zinc/13/20/64/712132064.db2.gz MEVDOPACXQZGSJ-SSDOTTSWSA-N 0 0 246.232 2.796 20 10 BFCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1(C)CC1 ZINC000708392249 712191942 /nfs/dbraw/zinc/19/19/42/712191942.db2.gz ZOURMVOJFWMELF-MRVPVSSYSA-N 0 0 241.281 2.949 20 10 BFCDRN C[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708397335 712192980 /nfs/dbraw/zinc/19/29/80/712192980.db2.gz BJCWANUWJZFENW-QMMMGPOBSA-N 0 0 227.254 2.655 20 10 BFCDRN C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@@H]1C ZINC000380676726 712902390 /nfs/dbraw/zinc/90/23/90/712902390.db2.gz OLGZUJBOXOSNEJ-NXEZZACHSA-N 0 0 233.315 2.531 20 10 BFCDRN CC(C)(NCc1ccccc1O)C(F)F ZINC000389954645 711099987 /nfs/dbraw/zinc/09/99/87/711099987.db2.gz TYGAORXQVLCHMO-UHFFFAOYSA-N 0 0 215.243 2.526 20 10 BFCDRN C/C=C\C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000394977906 711199352 /nfs/dbraw/zinc/19/93/52/711199352.db2.gz CMBQTDYKWIEASI-IHWYPQMZSA-N 0 0 211.692 2.711 20 10 BFCDRN C[C@@H](CCC1CC1)NC(=O)Nc1ccc(N)cc1 ZINC000398074048 711401272 /nfs/dbraw/zinc/40/12/72/711401272.db2.gz KFIKNMPCXIGAED-JTQLQIEISA-N 0 0 247.342 2.969 20 10 BFCDRN CC[C@H]1C[C@@H](C)CN1C(=O)Nc1ccc(N)cc1 ZINC000399070615 711420746 /nfs/dbraw/zinc/42/07/46/711420746.db2.gz GMOUKMGBGWWCBB-MFKMUULPSA-N 0 0 247.342 2.921 20 10 BFCDRN C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000393502891 710609449 /nfs/dbraw/zinc/60/94/49/710609449.db2.gz VRYBFHRNQARMPX-BDAKNGLRSA-N 0 0 229.270 2.930 20 10 BFCDRN OC1(CCSc2nccs2)CCC1 ZINC000396928350 711372687 /nfs/dbraw/zinc/37/26/87/711372687.db2.gz WEGKPICEVONOKK-UHFFFAOYSA-N 0 0 215.343 2.540 20 10 BFCDRN CC(C)[C@]1(C)C[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000397115336 711376422 /nfs/dbraw/zinc/37/64/22/711376422.db2.gz HBBLEPSIKIBOQH-OCCSQVGLSA-N 0 0 247.342 2.825 20 10 BFCDRN CC(C)[C@]1(C)C[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000397115334 711376889 /nfs/dbraw/zinc/37/68/89/711376889.db2.gz HBBLEPSIKIBOQH-JSGCOSHPSA-N 0 0 247.342 2.825 20 10 BFCDRN C[C@@H]1CCC[C@H](C(=O)NCc2ccc(N)cc2)C1 ZINC000383255084 711491013 /nfs/dbraw/zinc/49/10/13/711491013.db2.gz WVUHYJWUAPFQDN-YPMHNXCESA-N 0 0 246.354 2.711 20 10 BFCDRN CN(C(=O)C[C@@H]1C=CCC1)c1ccc(N)cc1 ZINC000702070915 712037430 /nfs/dbraw/zinc/03/74/30/712037430.db2.gz FHGJADDXILZNAO-LLVKDONJSA-N 0 0 230.311 2.588 20 10 BFCDRN CC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703255197 712070000 /nfs/dbraw/zinc/07/00/00/712070000.db2.gz GLJAFFMRSDBACK-ZETCQYMHSA-N 0 0 215.243 2.559 20 10 BFCDRN CS[C@H](C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703294449 712070521 /nfs/dbraw/zinc/07/05/21/712070521.db2.gz HYOBZOFUEZWEJY-SSDOTTSWSA-N 0 0 247.310 2.512 20 10 BFCDRN [O-]c1c(C[NH2+]CCCCF)ccc(F)c1F ZINC000703295832 712071116 /nfs/dbraw/zinc/07/11/16/712071116.db2.gz NKIMCHCFGOABQN-UHFFFAOYSA-N 0 0 233.233 2.510 20 10 BFCDRN CC1(C)C[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703348388 712072427 /nfs/dbraw/zinc/07/24/27/712072427.db2.gz PNCBBQUFUSLYCJ-SECBINFHSA-N 0 0 241.281 2.806 20 10 BFCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1CCC1 ZINC000703343013 712072691 /nfs/dbraw/zinc/07/26/91/712072691.db2.gz ZCBGSXFBSORWLP-MRVPVSSYSA-N 0 0 241.281 2.949 20 10 BFCDRN CC1(C)CC[C@@H]1[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703345885 712072809 /nfs/dbraw/zinc/07/28/09/712072809.db2.gz CKKMKMCQJAFXPL-JTQLQIEISA-N 0 0 241.281 2.949 20 10 BFCDRN C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703346927 712072815 /nfs/dbraw/zinc/07/28/15/712072815.db2.gz GCEOYCVQJFKSSV-SCZZXKLOSA-N 0 0 241.281 2.949 20 10 BFCDRN C[C@@H](CC(=O)Nc1ccc(N)cc1)C(F)(F)F ZINC000705484345 712131913 /nfs/dbraw/zinc/13/19/13/712131913.db2.gz MEVDOPACXQZGSJ-ZETCQYMHSA-N 0 0 246.232 2.796 20 10 BFCDRN C[C@@H]1CC[C@@H](C)N1C(=O)Nc1ccc(N)cc1 ZINC000706307359 712143254 /nfs/dbraw/zinc/14/32/54/712143254.db2.gz NYZYHOBCZPECFU-NXEZZACHSA-N 0 0 233.315 2.674 20 10 BFCDRN Nc1ccc(NC(=O)N[C@@H]2CCCC23CC3)cc1 ZINC000706592616 712150465 /nfs/dbraw/zinc/15/04/65/712150465.db2.gz RMSZBDVBKGTURT-GFCCVEGCSA-N 0 0 245.326 2.723 20 10 BFCDRN CN(C[C@H]1CC(C)(C)CO1)c1ccc(N)cc1 ZINC000708333648 712188541 /nfs/dbraw/zinc/18/85/41/712188541.db2.gz VQDUOEMZVCAUED-CYBMUJFWSA-N 0 0 234.343 2.520 20 10 BFCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])C(C)(C)C ZINC000708402217 712192518 /nfs/dbraw/zinc/19/25/18/712192518.db2.gz VTMFVFFAMOOZHR-UHFFFAOYSA-N 0 0 229.270 2.901 20 10 BFCDRN CCC[N@H+](CC)Cc1cc(F)cc(F)c1[O-] ZINC000708402198 712192550 /nfs/dbraw/zinc/19/25/50/712192550.db2.gz VOVWPYRBZWLPRN-UHFFFAOYSA-N 0 0 229.270 2.902 20 10 BFCDRN C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000708402884 712192635 /nfs/dbraw/zinc/19/26/35/712192635.db2.gz XHOUNLIXZGTIDO-DTWKUNHWSA-N 0 0 241.281 2.901 20 10 BFCDRN CCC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708394437 712192813 /nfs/dbraw/zinc/19/28/13/712192813.db2.gz ZYWVFCPLWIICKE-MRVPVSSYSA-N 0 0 229.270 2.949 20 10 BFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CC=CCC1 ZINC000708437655 712194640 /nfs/dbraw/zinc/19/46/40/712194640.db2.gz SMKBSEIMQGUMCZ-NSHDSACASA-N 0 0 239.265 2.869 20 10 BFCDRN CCC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708441508 712195047 /nfs/dbraw/zinc/19/50/47/712195047.db2.gz ISZMEFQSZLGZLH-UHFFFAOYSA-N 0 0 241.281 2.950 20 10 BFCDRN CC(C)C[C@H](C)C(=O)NCc1ccccc1O ZINC000709165301 712213249 /nfs/dbraw/zinc/21/32/49/712213249.db2.gz MAXJAKDWGWVUDQ-NSHDSACASA-N 0 0 235.327 2.691 20 10 BFCDRN Nc1ccc(NC(=O)N2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000378735996 712359738 /nfs/dbraw/zinc/35/97/38/712359738.db2.gz GETHMAXIWFSCPE-GWCFXTLKSA-N 0 0 245.326 2.675 20 10 BFCDRN CN(C[C@@H]1CC[C@H](C2CC2)O1)c1ccc(N)cc1 ZINC000715413277 712517673 /nfs/dbraw/zinc/51/76/73/712517673.db2.gz DHJWMXHMKVLQSS-LSDHHAIUSA-N 0 0 246.354 2.663 20 10 BFCDRN CN(C[C@@H]1CC[C@@H](C2CC2)O1)c1ccc(N)cc1 ZINC000715413272 712517856 /nfs/dbraw/zinc/51/78/56/712517856.db2.gz DHJWMXHMKVLQSS-GJZGRUSLSA-N 0 0 246.354 2.663 20 10 BFCDRN Nc1ccc(NC(=O)NCCCCC2CC2)cc1 ZINC000716345752 712556028 /nfs/dbraw/zinc/55/60/28/712556028.db2.gz FOXGNMGOVQWELF-UHFFFAOYSA-N 0 0 247.342 2.971 20 10 BFCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000716509366 712566561 /nfs/dbraw/zinc/56/65/61/712566561.db2.gz PDPBHFRKCRYFDZ-IGJVIKARSA-N 0 0 244.338 2.524 20 10 BFCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1cccc(F)c1[O-] ZINC000716638613 712568423 /nfs/dbraw/zinc/56/84/23/712568423.db2.gz UFQAGGQVOVGPLN-LPTSXCQYSA-N 0 0 249.329 2.913 20 10 BFCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)CC(C)C)c1 ZINC000862756966 712619059 /nfs/dbraw/zinc/61/90/59/712619059.db2.gz CBUNFFVKBSQLDP-LBPRGKRZSA-N 0 0 249.354 2.999 20 10 BFCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)C(C)C)c1 ZINC000862757197 712619061 /nfs/dbraw/zinc/61/90/61/712619061.db2.gz KSLQVMWKGHDAKO-UHFFFAOYSA-N 0 0 249.354 2.999 20 10 BFCDRN C[C@@H](N[C@H](C)C(F)F)c1cc(F)ccc1O ZINC000389967803 712692735 /nfs/dbraw/zinc/69/27/35/712692735.db2.gz OZOXKCGZAXSJDU-RNFRBKRXSA-N 0 0 233.233 2.836 20 10 BFCDRN C[C@@H](N(C)C(=O)Cc1ccc(N)cc1)C(C)(C)C ZINC000037807106 712761663 /nfs/dbraw/zinc/76/16/63/712761663.db2.gz IUWMRTNSWSZMEC-LLVKDONJSA-N 0 0 248.370 2.704 20 10 BFCDRN CN(C)c1ccc(CN2CCCO2)c(Cl)c1 ZINC001140921835 960686265 /nfs/dbraw/zinc/68/62/65/960686265.db2.gz RVCUNVBPXBXCEL-UHFFFAOYSA-N 0 0 240.734 2.543 20 10 BFCDRN CC[NH+](CC)Cc1cc(F)c(F)cc1[O-] ZINC001142502063 961460796 /nfs/dbraw/zinc/46/07/96/961460796.db2.gz IASYXCVLLYXDCA-UHFFFAOYSA-N 0 0 215.243 2.512 20 10 BFCDRN C[N@@H+](Cc1cc(F)c(F)cc1[O-])CC1CC1 ZINC001142508736 961468465 /nfs/dbraw/zinc/46/84/65/961468465.db2.gz JUEAPRJTYJVYKU-UHFFFAOYSA-N 0 0 227.254 2.512 20 10 BFCDRN C[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142509123 964346463 /nfs/dbraw/zinc/34/64/63/964346463.db2.gz XNHZOYXHSYSUDP-QMMMGPOBSA-N 0 0 227.254 2.512 20 10 BFCDRN Oc1cccc(F)c1Nc1ccncc1Cl ZINC001212155067 965106468 /nfs/dbraw/zinc/10/64/68/965106468.db2.gz ASVHTQUJJYUKGS-UHFFFAOYSA-N 0 0 238.649 2.745 20 10 BFCDRN CCO[C@H](C)COc1ccc(N(C)C)cc1 ZINC001227939473 975802351 /nfs/dbraw/zinc/80/23/51/975802351.db2.gz WRPDZKOYXDCGGE-LLVKDONJSA-N 0 0 223.316 2.556 20 10 BFCDRN [O-]c1c(C[NH+]2CC=CC2)cccc1C(F)(F)F ZINC001233415994 978597380 /nfs/dbraw/zinc/59/73/80/978597380.db2.gz RUSWEBLNHJYQBV-UHFFFAOYSA-N 0 0 243.228 2.783 20 10 BFCDRN CC1(C)OC[C@H](CCSc2nccs2)O1 ZINC001327536199 972618044 /nfs/dbraw/zinc/61/80/44/972618044.db2.gz QOOSYXMIJUBSHI-QMMMGPOBSA-N 0 0 245.369 2.777 20 10 BFCDRN COc1cncc(N(C)c2ccc(N)cc2)c1C ZINC001215735626 970820998 /nfs/dbraw/zinc/82/09/98/970820998.db2.gz WFQDZGISLYQOPK-UHFFFAOYSA-N 0 0 243.310 2.749 20 10 BFCDRN Cc1c(F)cncc1Nc1ccc(N)cc1 ZINC001216194130 970976986 /nfs/dbraw/zinc/97/69/86/970976986.db2.gz KUNNXPYATIYMMS-UHFFFAOYSA-N 0 0 217.247 2.855 20 10 BFCDRN Cc1csc(NC(=O)Cc2ccc(N)cc2)c1 ZINC001218621484 971886355 /nfs/dbraw/zinc/88/63/55/971886355.db2.gz RPKQNXAHEMXGLF-UHFFFAOYSA-N 0 0 246.335 2.820 20 10 BFCDRN [O-]c1c(F)cccc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000165416746 956869548 /nfs/dbraw/zinc/86/95/48/956869548.db2.gz RACMNBPYMYZDAT-GXSJLCMTSA-N 0 0 221.275 2.516 20 10 BFCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](F)C1 ZINC000689864959 960296502 /nfs/dbraw/zinc/29/65/02/960296502.db2.gz WNOWACAJNJUSDD-VIFPVBQESA-N 0 0 229.682 2.589 20 10 BFCDRN C[C@@H]1C[C@@H](F)CN1Cc1cc(F)c(F)cc1O ZINC001142508512 961455564 /nfs/dbraw/zinc/45/55/64/961455564.db2.gz BINDNKCIOGEOEE-VXNVDRBHSA-N 0 0 245.244 2.603 20 10 BFCDRN CC[C@@H](C)[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142512769 961463357 /nfs/dbraw/zinc/46/33/57/961463357.db2.gz KHZYPVLWDVUOHC-MRVPVSSYSA-N 0 0 229.270 2.901 20 10 BFCDRN CC[C@@H]1CCN(C(=O)C2=CC(=O)CS2)[C@@H]1C ZINC001154800953 962852365 /nfs/dbraw/zinc/85/23/65/962852365.db2.gz CMWSLCHCTWNOGM-RKDXNWHRSA-N 0 0 239.340 2.714 20 10 BFCDRN Cc1ccc(Nc2cccc(O)c2O)c(N)c1 ZINC001214189130 964159962 /nfs/dbraw/zinc/15/99/62/964159962.db2.gz WEBQBYRTLRAWMB-UHFFFAOYSA-N 0 0 230.267 2.732 20 10 BFCDRN COc1cccc(Nc2ccc(N)cc2)c1N ZINC001159909124 964223235 /nfs/dbraw/zinc/22/32/35/964223235.db2.gz DWPWUCPXCVIUPV-UHFFFAOYSA-N 0 0 229.283 2.603 20 10 BFCDRN COc1ccc(O)c([C@H](C)NCC(C)(F)F)c1 ZINC000697599017 964336384 /nfs/dbraw/zinc/33/63/84/964336384.db2.gz LEIYDOATINDYKH-QMMMGPOBSA-N 0 0 245.269 2.707 20 10 BFCDRN C[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142509122 964343575 /nfs/dbraw/zinc/34/35/75/964343575.db2.gz XNHZOYXHSYSUDP-MRVPVSSYSA-N 0 0 227.254 2.512 20 10 BFCDRN CCc1cnc(NCc2cccc(C)c2O)nc1 ZINC001160765068 964409843 /nfs/dbraw/zinc/40/98/43/964409843.db2.gz QYMOIEWBAHBXAM-UHFFFAOYSA-N 0 0 243.310 2.665 20 10 BFCDRN Cc1cc(C)c(CNc2ccc(F)nn2)c(O)c1 ZINC001160810615 964413010 /nfs/dbraw/zinc/41/30/10/964413010.db2.gz TZUSNHVIFFTIFY-UHFFFAOYSA-N 0 0 247.273 2.550 20 10 BFCDRN CN(c1ccc(N)cc1)c1cccc2[nH]cnc21 ZINC001213033809 964643538 /nfs/dbraw/zinc/64/35/38/964643538.db2.gz YNTKLOQLYDHHEV-UHFFFAOYSA-N 0 0 238.294 2.913 20 10 BFCDRN CNc1ccccc1NCc1cccn1C ZINC001162711401 965135101 /nfs/dbraw/zinc/13/51/01/965135101.db2.gz QEMNNLHXJIEFEI-UHFFFAOYSA-N 0 0 215.300 2.679 20 10 BFCDRN CC(C)c1nccc(NCc2ccc(N)cc2)n1 ZINC001162786457 965169208 /nfs/dbraw/zinc/16/92/08/965169208.db2.gz WJCIOSCIPGRYDZ-UHFFFAOYSA-N 0 0 242.326 2.794 20 10 BFCDRN CCOc1ccc(NCc2ccc(N)cc2)nc1 ZINC001162784605 965169960 /nfs/dbraw/zinc/16/99/60/965169960.db2.gz RXWOHDGIHSLLHM-UHFFFAOYSA-N 0 0 243.310 2.675 20 10 BFCDRN CC(C)c1ccc(NCc2ccc(N)cc2)nn1 ZINC001162784039 965170274 /nfs/dbraw/zinc/17/02/74/965170274.db2.gz FCLCBHVCTWENIL-UHFFFAOYSA-N 0 0 242.326 2.794 20 10 BFCDRN Oc1ccccc1CN1CCC(F)(F)[C@H](F)C1 ZINC001203550158 966679341 /nfs/dbraw/zinc/67/93/41/966679341.db2.gz KIJMPQBAMXZTDH-LLVKDONJSA-N 0 0 245.244 2.571 20 10 BFCDRN Oc1ccccc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001203556208 966690588 /nfs/dbraw/zinc/69/05/88/966690588.db2.gz OGOVRSHBDOECSL-LLVKDONJSA-N 0 0 241.281 2.869 20 10 BFCDRN CN(C)c1ccc(/C=C/C(C)(C)O)cc1 ZINC001239155622 966831788 /nfs/dbraw/zinc/83/17/88/966831788.db2.gz KBINAFNAJUSDKF-MDZDMXLPSA-N 0 0 205.301 2.537 20 10 BFCDRN CN(c1ccc(N)cc1)c1c(O)cccc1F ZINC001249996765 967249783 /nfs/dbraw/zinc/24/97/83/967249783.db2.gz NUWHOAZUPTZWRU-UHFFFAOYSA-N 0 0 232.258 2.881 20 10 BFCDRN CCN(CC)C(=O)Cc1ccc2ccn(C)c2c1 ZINC001250008786 967266785 /nfs/dbraw/zinc/26/67/85/967266785.db2.gz JWQUJUCHKMGWLM-UHFFFAOYSA-N 0 0 244.338 2.589 20 10 BFCDRN Nc1ccc(Nc2cc(F)cc(F)c2O)cc1 ZINC001212487285 967504130 /nfs/dbraw/zinc/50/41/30/967504130.db2.gz DOKWAGLNWIWAOW-UHFFFAOYSA-N 0 0 236.221 2.996 20 10 BFCDRN CNc1ccccc1NC[C@@H]1CCCCO1 ZINC001165252102 968274654 /nfs/dbraw/zinc/27/46/54/968274654.db2.gz AAYKDTOAQXDDDK-NSHDSACASA-N 0 0 220.316 2.709 20 10 BFCDRN Cc1cc(N(C)C)ncc1Nc1ccc(N)cc1 ZINC001206743474 968450877 /nfs/dbraw/zinc/45/08/77/968450877.db2.gz LPKCDNJXPBTBCQ-UHFFFAOYSA-N 0 0 242.326 2.782 20 10 BFCDRN Oc1cc(F)cc(Nc2cccc(O)c2O)c1 ZINC001206822307 968492252 /nfs/dbraw/zinc/49/22/52/968492252.db2.gz INFGDOWIFIXADL-UHFFFAOYSA-N 0 0 235.214 2.686 20 10 BFCDRN Nc1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209767046 969605082 /nfs/dbraw/zinc/60/50/82/969605082.db2.gz IJNPNARRTUZMLY-UHFFFAOYSA-N 0 0 241.294 2.817 20 10 BFCDRN Nc1ccc(Nc2cc(F)ccc2CO)cc1 ZINC001210185886 969822828 /nfs/dbraw/zinc/82/28/28/969822828.db2.gz ZGQHHIPEQHLNNI-UHFFFAOYSA-N 0 0 232.258 2.644 20 10 BFCDRN COc1c(F)cccc1Nc1cccc(O)c1O ZINC001210406593 969883956 /nfs/dbraw/zinc/88/39/56/969883956.db2.gz LINMYQDTAUCRNM-UHFFFAOYSA-N 0 0 249.241 2.989 20 10 BFCDRN CN(c1ccc(N)cc1)c1cccc2c1OCO2 ZINC001210562129 969939116 /nfs/dbraw/zinc/93/91/16/969939116.db2.gz MTELWZGFOVTQOQ-UHFFFAOYSA-N 0 0 242.278 2.765 20 10 BFCDRN CN(c1ccc(N)cc1)c1cc(O)ccc1F ZINC001210803284 970044938 /nfs/dbraw/zinc/04/49/38/970044938.db2.gz DEBFEMZCXKPMCZ-UHFFFAOYSA-N 0 0 232.258 2.881 20 10 BFCDRN Cc1cc(N)ccc1Nc1cccc(O)c1O ZINC001214117292 970440718 /nfs/dbraw/zinc/44/07/18/970440718.db2.gz QJPSJWIUYCPKFH-UHFFFAOYSA-N 0 0 230.267 2.732 20 10 BFCDRN Cc1ccc(O)c(Nc2cccc(O)c2O)c1 ZINC001214227391 970473617 /nfs/dbraw/zinc/47/36/17/970473617.db2.gz ACRIMICQXPSZLR-UHFFFAOYSA-N 0 0 231.251 2.855 20 10 BFCDRN Nc1ccc(NC(=O)N2CC[C@H](C3CC3)C2)cc1 ZINC000400016695 970546785 /nfs/dbraw/zinc/54/67/85/970546785.db2.gz ZTIMDSNLQMPXIM-NSHDSACASA-N 0 0 245.326 2.533 20 10 BFCDRN Cc1ccc(C[NH2+][C@@H](C)c2ccccc2O)nc1 ZINC000400829298 970631463 /nfs/dbraw/zinc/63/14/63/970631463.db2.gz 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COc1cccc(Nc2cccc(O)c2O)c1F ZINC001173972206 976191650 /nfs/dbraw/zinc/19/16/50/976191650.db2.gz BJXGWLVUEFEWPJ-UHFFFAOYSA-N 0 0 249.241 2.989 20 10 BFCDRN Oc1cccc(Nc2ccnc3[nH]ccc32)c1O ZINC001174412588 976704852 /nfs/dbraw/zinc/70/48/52/976704852.db2.gz VZVPXHREGIUOSB-UHFFFAOYSA-N 0 0 241.250 2.669 20 10 BFCDRN CCOc1ncccc1Nc1cccc(O)c1O ZINC001174456345 976737910 /nfs/dbraw/zinc/73/79/10/976737910.db2.gz CQDVXDIYNJQWQU-UHFFFAOYSA-N 0 0 246.266 2.635 20 10 BFCDRN Nc1ccc(Nc2cnn(CC3CC3)c2)cc1 ZINC001174468989 976773527 /nfs/dbraw/zinc/77/35/27/976773527.db2.gz PTRNDNJKEKFQFZ-UHFFFAOYSA-N 0 0 228.299 2.619 20 10 BFCDRN Oc1cccc(Nc2cc(F)ccc2O)c1O ZINC001174627478 976896828 /nfs/dbraw/zinc/89/68/28/976896828.db2.gz SCACBHVRDHAGIE-UHFFFAOYSA-N 0 0 235.214 2.686 20 10 BFCDRN CN(C)c1ccc(Nc2cccc(O)c2O)cc1 ZINC001174879660 977147324 /nfs/dbraw/zinc/14/73/24/977147324.db2.gz ARAUVLBVPFUEIF-UHFFFAOYSA-N 0 0 244.294 2.907 20 10 BFCDRN Cn1ncc2cccc(Nc3ccc(N)cc3)c21 ZINC001175443899 977433660 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