smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N[C@@H](C)CCn2cccn2)c(C)c1 ZINC000159362208 178770068 /nfs/dbraw/zinc/77/00/68/178770068.db2.gz BDHLVXXYMSKDOQ-AWEZNQCLSA-N 0 0 243.354 3.391 20 70 BGIDRN CCc1cnc(NC(=O)C(C)(CC)CC)s1 ZINC000159362274 538876912 /nfs/dbraw/zinc/87/69/12/538876912.db2.gz LBMMUFTYUAJORH-UHFFFAOYSA-N 0 0 240.372 3.470 20 70 BGIDRN Cc1ccc(N[C@H](C)CCn2cccn2)c(C)c1 ZINC000159362363 384326548 /nfs/dbraw/zinc/32/65/48/384326548.db2.gz BDHLVXXYMSKDOQ-CQSZACIVSA-N 0 0 243.354 3.391 20 70 BGIDRN CN(CC1CC1)C(=O)C[C@H]1CCCCC1(C)C ZINC000159362394 322965639 /nfs/dbraw/zinc/96/56/39/322965639.db2.gz NSWVVMJEFPKFAT-CYBMUJFWSA-N 0 0 237.387 3.461 20 70 BGIDRN CN(CC1CC1)C(=O)C[C@@H]1CCCCC1(C)C ZINC000159362544 384012620 /nfs/dbraw/zinc/01/26/20/384012620.db2.gz NSWVVMJEFPKFAT-ZDUSSCGKSA-N 0 0 237.387 3.461 20 70 BGIDRN Cc1cc(F)ccc1N[C@@H](C)CCn1cccn1 ZINC000159362663 178090861 /nfs/dbraw/zinc/09/08/61/178090861.db2.gz ZLOZFPBGMLGFHU-LBPRGKRZSA-N 0 0 247.317 3.221 20 70 BGIDRN Cc1cc(F)ccc1N[C@H](C)CCn1cccn1 ZINC000159362825 178091047 /nfs/dbraw/zinc/09/10/47/178091047.db2.gz ZLOZFPBGMLGFHU-GFCCVEGCSA-N 0 0 247.317 3.221 20 70 BGIDRN CCC(C)(CC)C(=O)NCC1(C2CC2)CC1 ZINC000159364102 538876895 /nfs/dbraw/zinc/87/68/95/538876895.db2.gz AJRTVYWTMICURL-UHFFFAOYSA-N 0 0 223.360 3.119 20 70 BGIDRN CCc1noc(C)c1CNc1cccc(C)c1 ZINC000159364648 172080473 /nfs/dbraw/zinc/08/04/73/172080473.db2.gz SWNWWQVAUKGXMN-UHFFFAOYSA-N 0 0 230.311 3.466 20 70 BGIDRN CCc1noc(C)c1CNc1ccc(OC)cc1 ZINC000159365097 172081329 /nfs/dbraw/zinc/08/13/29/172081329.db2.gz ZOZDETKJNRPCBD-UHFFFAOYSA-N 0 0 246.310 3.166 20 70 BGIDRN CN(CC1CC1)C(=O)CC1CCC(C)(C)CC1 ZINC000159365204 384005290 /nfs/dbraw/zinc/00/52/90/384005290.db2.gz IJJFXJGTSVRRJX-UHFFFAOYSA-N 0 0 237.387 3.461 20 70 BGIDRN CCc1noc(C)c1CNc1ccccc1 ZINC000159366201 219875136 /nfs/dbraw/zinc/87/51/36/219875136.db2.gz VCDPDNSIAKHQTG-UHFFFAOYSA-N 0 0 216.284 3.158 20 70 BGIDRN CCC(C)(CC)C(=O)NCCC1=CCCC1 ZINC000159367502 538876876 /nfs/dbraw/zinc/87/68/76/538876876.db2.gz UOIRRUDSKZFRBW-UHFFFAOYSA-N 0 0 223.360 3.429 20 70 BGIDRN CCC(C)(CC)C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000159384643 585025617 /nfs/dbraw/zinc/02/56/17/585025617.db2.gz WQNRPKHSBVWOQD-NEPJUHHUSA-N 0 0 225.376 3.460 20 70 BGIDRN CCC(C)(CC)C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000159384745 585025591 /nfs/dbraw/zinc/02/55/91/585025591.db2.gz WQNRPKHSBVWOQD-RYUDHWBXSA-N 0 0 225.376 3.460 20 70 BGIDRN CCC(C)(CC)C(=O)N1C[C@H](C)CC[C@H]1C ZINC000159384864 585025594 /nfs/dbraw/zinc/02/55/94/585025594.db2.gz WQNRPKHSBVWOQD-VXGBXAGGSA-N 0 0 225.376 3.460 20 70 BGIDRN CCC(C)(CC)C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000159384984 585025545 /nfs/dbraw/zinc/02/55/45/585025545.db2.gz WQNRPKHSBVWOQD-NWDGAFQWSA-N 0 0 225.376 3.460 20 70 BGIDRN CCCCCCNC(=O)/C=C/c1cncc(C)c1 ZINC000159385259 384329447 /nfs/dbraw/zinc/32/94/47/384329447.db2.gz IOADNNUAOGVZJN-BQYQJAHWSA-N 0 0 246.354 3.100 20 70 BGIDRN Cc1ccc(C)c(N[C@@H](C)CCn2cccn2)c1 ZINC000159385977 384329366 /nfs/dbraw/zinc/32/93/66/384329366.db2.gz LGFBVNCVSASDLU-AWEZNQCLSA-N 0 0 243.354 3.391 20 70 BGIDRN Cc1ccc(C)c(N[C@H](C)CCn2cccn2)c1 ZINC000159386117 384327759 /nfs/dbraw/zinc/32/77/59/384327759.db2.gz LGFBVNCVSASDLU-CQSZACIVSA-N 0 0 243.354 3.391 20 70 BGIDRN C[C@@H](CCn1cccn1)Nc1ccccc1Cl ZINC000159386655 384329117 /nfs/dbraw/zinc/32/91/17/384329117.db2.gz VFYOZHSUWDNQGE-NSHDSACASA-N 0 0 249.745 3.427 20 70 BGIDRN C[C@H](CCn1cccn1)Nc1ccccc1Cl ZINC000159386791 384329640 /nfs/dbraw/zinc/32/96/40/384329640.db2.gz VFYOZHSUWDNQGE-LLVKDONJSA-N 0 0 249.745 3.427 20 70 BGIDRN Cc1cnccc1NC(=O)CCC(C)(C)C ZINC000159387186 384327563 /nfs/dbraw/zinc/32/75/63/384327563.db2.gz BVVCIBOLMGHXKF-UHFFFAOYSA-N 0 0 220.316 3.155 20 70 BGIDRN Cc1ccc(F)cc1N[C@@H](C)CCn1cccn1 ZINC000159390207 178690828 /nfs/dbraw/zinc/69/08/28/178690828.db2.gz KDEOSZSSEDCBFT-LBPRGKRZSA-N 0 0 247.317 3.221 20 70 BGIDRN CCOc1ccccc1N(C)Cc1cccnc1 ZINC000159390306 384328487 /nfs/dbraw/zinc/32/84/87/384328487.db2.gz IIVUIUVNCOXGTK-UHFFFAOYSA-N 0 0 242.322 3.117 20 70 BGIDRN Cc1ccc(F)cc1N[C@H](C)CCn1cccn1 ZINC000159390350 384328626 /nfs/dbraw/zinc/32/86/26/384328626.db2.gz KDEOSZSSEDCBFT-GFCCVEGCSA-N 0 0 247.317 3.221 20 70 BGIDRN Cc1cnccc1NC(=O)[C@@H](C)c1cccs1 ZINC000159390920 350093243 /nfs/dbraw/zinc/09/32/43/350093243.db2.gz UZNKHQIZQBZPJE-JTQLQIEISA-N 0 0 246.335 3.194 20 70 BGIDRN Cc1cnccc1NC(=O)[C@H](C)c1cccs1 ZINC000159391058 350098213 /nfs/dbraw/zinc/09/82/13/350098213.db2.gz UZNKHQIZQBZPJE-SNVBAGLBSA-N 0 0 246.335 3.194 20 70 BGIDRN Cc1cnccc1NC(=O)[C@@H](C)c1ccsc1 ZINC000159391898 384031844 /nfs/dbraw/zinc/03/18/44/384031844.db2.gz MYRXHSCLWNCZCW-JTQLQIEISA-N 0 0 246.335 3.194 20 70 BGIDRN Cc1cnccc1NC(=O)[C@H](C)c1ccsc1 ZINC000159392061 384032820 /nfs/dbraw/zinc/03/28/20/384032820.db2.gz MYRXHSCLWNCZCW-SNVBAGLBSA-N 0 0 246.335 3.194 20 70 BGIDRN Cc1ccccc1C[C@@H](C)NC(=O)[C@@H]1CC1(C)C ZINC000159393542 345429818 /nfs/dbraw/zinc/42/98/18/345429818.db2.gz TXPBCAVXIGMFNP-OCCSQVGLSA-N 0 0 245.366 3.088 20 70 BGIDRN Cc1ccccc1C[C@H](C)NC(=O)[C@@H]1CC1(C)C ZINC000159393678 134773008 /nfs/dbraw/zinc/77/30/08/134773008.db2.gz TXPBCAVXIGMFNP-JSGCOSHPSA-N 0 0 245.366 3.088 20 70 BGIDRN O=C(Nc1cccc2[nH]ccc21)NC1CC=CC1 ZINC000159397683 541494087 /nfs/dbraw/zinc/49/40/87/541494087.db2.gz RQYMTEDVLYBORZ-UHFFFAOYSA-N 0 0 241.294 3.008 20 70 BGIDRN CCOc1ccccc1N(C)CCCSC ZINC000159398227 384048293 /nfs/dbraw/zinc/04/82/93/384048293.db2.gz NOGKNLMEHZNBPL-UHFFFAOYSA-N 0 0 239.384 3.275 20 70 BGIDRN CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccco1 ZINC000159400628 345432077 /nfs/dbraw/zinc/43/20/77/345432077.db2.gz MSLZEZDLHRXSTA-OCCSQVGLSA-N 0 0 239.359 3.117 20 70 BGIDRN CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1ccco1 ZINC000159400766 345432367 /nfs/dbraw/zinc/43/23/67/345432367.db2.gz MSLZEZDLHRXSTA-TZMCWYRMSA-N 0 0 239.359 3.117 20 70 BGIDRN COCC(C)(C)C(=O)Nc1cccc(C(C)C)c1 ZINC000159403045 174068543 /nfs/dbraw/zinc/06/85/43/174068543.db2.gz GPMIUVAEACZYAD-UHFFFAOYSA-N 0 0 249.354 3.421 20 70 BGIDRN Cc1cc(F)cc(N[C@@H](C)CCn2cccn2)c1 ZINC000159404448 178079031 /nfs/dbraw/zinc/07/90/31/178079031.db2.gz LNNBPMDBSVQAGT-LBPRGKRZSA-N 0 0 247.317 3.221 20 70 BGIDRN Cc1cc(F)cc(N[C@H](C)CCn2cccn2)c1 ZINC000159404574 178079064 /nfs/dbraw/zinc/07/90/64/178079064.db2.gz LNNBPMDBSVQAGT-GFCCVEGCSA-N 0 0 247.317 3.221 20 70 BGIDRN Cc1c(F)cccc1N[C@@H](C)CCn1cccn1 ZINC000159406388 177608284 /nfs/dbraw/zinc/60/82/84/177608284.db2.gz QFECXVANZDNEHA-NSHDSACASA-N 0 0 247.317 3.221 20 70 BGIDRN Cc1c(F)cccc1N[C@H](C)CCn1cccn1 ZINC000159406532 384328494 /nfs/dbraw/zinc/32/84/94/384328494.db2.gz QFECXVANZDNEHA-LLVKDONJSA-N 0 0 247.317 3.221 20 70 BGIDRN CCC(C)(CC)C(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000159407685 541494366 /nfs/dbraw/zinc/49/43/66/541494366.db2.gz XCAPXVUQAKCNDC-NWDGAFQWSA-N 0 0 225.376 3.317 20 70 BGIDRN CCC(C)(CC)C(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000159407821 541494072 /nfs/dbraw/zinc/49/40/72/541494072.db2.gz XCAPXVUQAKCNDC-VXGBXAGGSA-N 0 0 225.376 3.317 20 70 BGIDRN CCC(C)(CC)C(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000159407956 541493757 /nfs/dbraw/zinc/49/37/57/541493757.db2.gz XCAPXVUQAKCNDC-RYUDHWBXSA-N 0 0 225.376 3.317 20 70 BGIDRN CCC(C)(CC)C(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000159408055 538111444 /nfs/dbraw/zinc/11/14/44/538111444.db2.gz XCAPXVUQAKCNDC-NEPJUHHUSA-N 0 0 225.376 3.317 20 70 BGIDRN CCOc1ccccc1N(C)C[C@@H]1CCCCO1 ZINC000159408909 384064433 /nfs/dbraw/zinc/06/44/33/384064433.db2.gz VYFZPXZSMVDGSI-ZDUSSCGKSA-N 0 0 249.354 3.091 20 70 BGIDRN CCOc1ccccc1N(C)C[C@H]1CCCCO1 ZINC000159409071 322966891 /nfs/dbraw/zinc/96/68/91/322966891.db2.gz VYFZPXZSMVDGSI-CYBMUJFWSA-N 0 0 249.354 3.091 20 70 BGIDRN CCC(C)(CC)C(=O)Nc1ccc2c(c1)COC2 ZINC000159415265 541493928 /nfs/dbraw/zinc/49/39/28/541493928.db2.gz ZIBYUSCDSZSTNY-UHFFFAOYSA-N 0 0 247.338 3.482 20 70 BGIDRN CCOc1ccccc1N(C)CCC(F)(F)F ZINC000159420177 322967595 /nfs/dbraw/zinc/96/75/95/322967595.db2.gz WRTICVDGGZLODV-UHFFFAOYSA-N 0 0 247.260 3.474 20 70 BGIDRN CCOc1ccccc1N(C)Cc1ccncc1 ZINC000159428189 384331194 /nfs/dbraw/zinc/33/11/94/384331194.db2.gz ONVKWPYMQUPMNC-UHFFFAOYSA-N 0 0 242.322 3.117 20 70 BGIDRN CCN(Cc1ccccn1)C(=O)C(C)(CC)CC ZINC000159428545 538111453 /nfs/dbraw/zinc/11/14/53/538111453.db2.gz LBVZSBZFZLFKHY-UHFFFAOYSA-N 0 0 248.370 3.256 20 70 BGIDRN CN(CC1CCC1)c1nc(C(C)(C)C)ns1 ZINC000159428789 134774158 /nfs/dbraw/zinc/77/41/58/134774158.db2.gz HPJAFDHPQNTHSO-UHFFFAOYSA-N 0 0 239.388 3.072 20 70 BGIDRN Cc1nc2ccccc2nc1NC[C@@H]1C[C@@H]1C ZINC000159433828 136214257 /nfs/dbraw/zinc/21/42/57/136214257.db2.gz QHSZTZOXEWJUQC-ONGXEEELSA-N 0 0 227.311 3.006 20 70 BGIDRN Cc1nc2ccccc2nc1NC[C@H]1C[C@@H]1C ZINC000159433955 136214330 /nfs/dbraw/zinc/21/43/30/136214330.db2.gz QHSZTZOXEWJUQC-GXSJLCMTSA-N 0 0 227.311 3.006 20 70 BGIDRN Cc1nc2ccccc2nc1NC[C@@H]1C[C@H]1C ZINC000159434077 136214290 /nfs/dbraw/zinc/21/42/90/136214290.db2.gz QHSZTZOXEWJUQC-KOLCDFICSA-N 0 0 227.311 3.006 20 70 BGIDRN Cc1nc2ccccc2nc1NC[C@H]1C[C@H]1C ZINC000159434195 136214326 /nfs/dbraw/zinc/21/43/26/136214326.db2.gz QHSZTZOXEWJUQC-MWLCHTKSSA-N 0 0 227.311 3.006 20 70 BGIDRN COc1cccnc1NCc1sccc1C ZINC000159446651 322969216 /nfs/dbraw/zinc/96/92/16/322969216.db2.gz RSPSPSPLRJNCHV-UHFFFAOYSA-N 0 0 234.324 3.072 20 70 BGIDRN COc1cccnc1NCC1CCCCC1 ZINC000159447088 398305763 /nfs/dbraw/zinc/30/57/63/398305763.db2.gz CHSHAPQROIFIMP-UHFFFAOYSA-N 0 0 220.316 3.082 20 70 BGIDRN COc1cccnc1NCc1ccc(C)s1 ZINC000159448180 384192068 /nfs/dbraw/zinc/19/20/68/384192068.db2.gz LCFBLTOXCHHZFM-UHFFFAOYSA-N 0 0 234.324 3.072 20 70 BGIDRN CCN(Cc1ccccn1)c1ccccc1C ZINC000159448513 345434395 /nfs/dbraw/zinc/43/43/95/345434395.db2.gz INFWFKRRJPIGTK-UHFFFAOYSA-N 0 0 226.323 3.417 20 70 BGIDRN CS[C@H](C)CC(=O)N1C[C@@H](C)c2ccccc21 ZINC000159448623 322969221 /nfs/dbraw/zinc/96/92/21/322969221.db2.gz IZBWBEUYXZMDJL-GHMZBOCLSA-N 0 0 249.379 3.278 20 70 BGIDRN CS[C@H](C)CC(=O)N1C[C@H](C)c2ccccc21 ZINC000159448762 322969236 /nfs/dbraw/zinc/96/92/36/322969236.db2.gz IZBWBEUYXZMDJL-WDEREUQCSA-N 0 0 249.379 3.278 20 70 BGIDRN CS[C@@H](C)CC(=O)N1C[C@@H](C)c2ccccc21 ZINC000159448920 384191849 /nfs/dbraw/zinc/19/18/49/384191849.db2.gz IZBWBEUYXZMDJL-MNOVXSKESA-N 0 0 249.379 3.278 20 70 BGIDRN CS[C@@H](C)CC(=O)N1C[C@H](C)c2ccccc21 ZINC000159449065 322969152 /nfs/dbraw/zinc/96/91/52/322969152.db2.gz IZBWBEUYXZMDJL-QWRGUYRKSA-N 0 0 249.379 3.278 20 70 BGIDRN CCN(Cc1ccccn1)c1ccc(F)cc1 ZINC000159449122 345434337 /nfs/dbraw/zinc/43/43/37/345434337.db2.gz RVCWSYWJZLDYQN-UHFFFAOYSA-N 0 0 230.286 3.247 20 70 BGIDRN CCOCCCN(CC)c1ccc(F)cc1 ZINC000159449270 345434487 /nfs/dbraw/zinc/43/44/87/345434487.db2.gz BJLXNBRXKDVGQU-UHFFFAOYSA-N 0 0 225.307 3.079 20 70 BGIDRN CCN(Cc1ccccn1)c1ccc(F)c(F)c1 ZINC000159449971 345435175 /nfs/dbraw/zinc/43/51/75/345435175.db2.gz VATWRWGKQYLTFG-UHFFFAOYSA-N 0 0 248.276 3.386 20 70 BGIDRN CCN(Cc1ccccn1)c1cccc(F)c1 ZINC000159450896 134775914 /nfs/dbraw/zinc/77/59/14/134775914.db2.gz VFBXXWXYERULMD-UHFFFAOYSA-N 0 0 230.286 3.247 20 70 BGIDRN CCOCCCN(CC)c1cccc(F)c1 ZINC000159451028 345435308 /nfs/dbraw/zinc/43/53/08/345435308.db2.gz OJMCVTRPHOAOIP-UHFFFAOYSA-N 0 0 225.307 3.079 20 70 BGIDRN COc1cccnc1NC1CCCCCC1 ZINC000159455247 384199494 /nfs/dbraw/zinc/19/94/94/384199494.db2.gz SKXFTMAHWRZUPI-UHFFFAOYSA-N 0 0 220.316 3.225 20 70 BGIDRN COc1cccnc1N[C@H]1CCC[C@@H](C)C1 ZINC000159455401 343202022 /nfs/dbraw/zinc/20/20/22/343202022.db2.gz QOIJXCIXUNLDEU-MNOVXSKESA-N 0 0 220.316 3.081 20 70 BGIDRN COc1cccnc1N[C@H]1CCC[C@H](C)C1 ZINC000159455538 343202003 /nfs/dbraw/zinc/20/20/03/343202003.db2.gz QOIJXCIXUNLDEU-QWRGUYRKSA-N 0 0 220.316 3.081 20 70 BGIDRN COc1cccnc1N[C@@H]1CCC[C@@H](C)C1 ZINC000159455653 343201737 /nfs/dbraw/zinc/20/17/37/343201737.db2.gz QOIJXCIXUNLDEU-GHMZBOCLSA-N 0 0 220.316 3.081 20 70 BGIDRN COc1cccnc1N[C@@H]1CCC[C@H](C)C1 ZINC000159455770 343201665 /nfs/dbraw/zinc/20/16/65/343201665.db2.gz QOIJXCIXUNLDEU-WDEREUQCSA-N 0 0 220.316 3.081 20 70 BGIDRN COc1cccnc1NC1CCC(C)CC1 ZINC000159455916 322969599 /nfs/dbraw/zinc/96/95/99/322969599.db2.gz MEFIXOMSVCMULF-UHFFFAOYSA-N 0 0 220.316 3.081 20 70 BGIDRN CSCCNC(=O)C[C@H]1CCCC(C)(C)C1 ZINC000159456506 350391191 /nfs/dbraw/zinc/39/11/91/350391191.db2.gz NIAVEDXXEQFAHD-LLVKDONJSA-N 0 0 243.416 3.072 20 70 BGIDRN CSCCNC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000159456657 350391125 /nfs/dbraw/zinc/39/11/25/350391125.db2.gz NIAVEDXXEQFAHD-NSHDSACASA-N 0 0 243.416 3.072 20 70 BGIDRN CCC[C@@H](CC)Nc1ncccc1OC ZINC000159464243 538877251 /nfs/dbraw/zinc/87/72/51/538877251.db2.gz NVWJTTLMPSEEQR-SNVBAGLBSA-N 0 0 208.305 3.081 20 70 BGIDRN CCC[C@H](CC)Nc1ncccc1OC ZINC000159464366 538877054 /nfs/dbraw/zinc/87/70/54/538877054.db2.gz NVWJTTLMPSEEQR-JTQLQIEISA-N 0 0 208.305 3.081 20 70 BGIDRN CCOc1cc(C)ccc1NC(=O)[C@@H]1CC1(C)C ZINC000159464740 134775699 /nfs/dbraw/zinc/77/56/99/134775699.db2.gz WNBMZEUPPDFVAK-NSHDSACASA-N 0 0 247.338 3.378 20 70 BGIDRN COc1cccnc1N[C@@H](C)C1CCCC1 ZINC000159466395 384223839 /nfs/dbraw/zinc/22/38/39/384223839.db2.gz ZTPVVKZNRYVWGX-JTQLQIEISA-N 0 0 220.316 3.081 20 70 BGIDRN COc1cccnc1N[C@H](C)C1CCCC1 ZINC000159466526 384223877 /nfs/dbraw/zinc/22/38/77/384223877.db2.gz ZTPVVKZNRYVWGX-SNVBAGLBSA-N 0 0 220.316 3.081 20 70 BGIDRN COc1cccnc1N[C@H](C)CCC(C)C ZINC000159466702 384226401 /nfs/dbraw/zinc/22/64/01/384226401.db2.gz HQOPDUHQGWSOSW-LLVKDONJSA-N 0 0 222.332 3.327 20 70 BGIDRN COc1cccnc1N[C@@H](C)CCC(C)C ZINC000159466847 384225828 /nfs/dbraw/zinc/22/58/28/384225828.db2.gz HQOPDUHQGWSOSW-NSHDSACASA-N 0 0 222.332 3.327 20 70 BGIDRN CCC(CC)(CC)CNC(=O)N(C)CC1CC1 ZINC000159467087 384226642 /nfs/dbraw/zinc/22/66/42/384226642.db2.gz WUQKXDIFHNWNPP-UHFFFAOYSA-N 0 0 240.391 3.254 20 70 BGIDRN CCCC[C@@H](C)Nc1ncccc1OC ZINC000159469159 322969936 /nfs/dbraw/zinc/96/99/36/322969936.db2.gz KTACIFPLFYSGRQ-SNVBAGLBSA-N 0 0 208.305 3.081 20 70 BGIDRN CCCC[C@H](C)Nc1ncccc1OC ZINC000159469281 322969978 /nfs/dbraw/zinc/96/99/78/322969978.db2.gz KTACIFPLFYSGRQ-JTQLQIEISA-N 0 0 208.305 3.081 20 70 BGIDRN CCC(C)(CC)C(=O)NCCCCOC(C)C ZINC000159469863 538877095 /nfs/dbraw/zinc/87/70/95/538877095.db2.gz SCNNHOONWZZFAK-UHFFFAOYSA-N 0 0 243.391 3.134 20 70 BGIDRN CCNC(=O)Nc1cc(Cl)c(C)cc1Cl ZINC000159471349 384428234 /nfs/dbraw/zinc/42/82/34/384428234.db2.gz OUZUEEWJLKGZPD-UHFFFAOYSA-N 0 0 247.125 3.443 20 70 BGIDRN CC(C)c1cnc(N2CCCCC2)s1 ZINC000159472661 345436804 /nfs/dbraw/zinc/43/68/04/345436804.db2.gz MBZFXKTTXFZPCF-UHFFFAOYSA-N 0 0 210.346 3.257 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)N(C)Cc1cccc(F)c1 ZINC000159477030 322970331 /nfs/dbraw/zinc/97/03/31/322970331.db2.gz OEKQPRFOHUOFAV-UKRRQHHQSA-N 0 0 249.329 3.220 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)N(C)Cc1cccc(F)c1 ZINC000159477182 322970264 /nfs/dbraw/zinc/97/02/64/322970264.db2.gz OEKQPRFOHUOFAV-HIFRSBDPSA-N 0 0 249.329 3.220 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)N(C)Cc1cccc(F)c1 ZINC000159477312 384243682 /nfs/dbraw/zinc/24/36/82/384243682.db2.gz OEKQPRFOHUOFAV-DZGCQCFKSA-N 0 0 249.329 3.220 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)N(C)Cc1cccc(F)c1 ZINC000159477431 384246326 /nfs/dbraw/zinc/24/63/26/384246326.db2.gz OEKQPRFOHUOFAV-ZFWWWQNUSA-N 0 0 249.329 3.220 20 70 BGIDRN COCCN(C)Cc1cc(Cl)ccc1Cl ZINC000159477548 346422298 /nfs/dbraw/zinc/42/22/98/346422298.db2.gz UQGFDPBHDACOAE-UHFFFAOYSA-N 0 0 248.153 3.072 20 70 BGIDRN Cc1nc2cc(NC(=O)N(C)C(C)C)ccc2o1 ZINC000159481236 180080776 /nfs/dbraw/zinc/08/07/76/180080776.db2.gz OCTNRZJBBMZGIG-UHFFFAOYSA-N 0 0 247.298 3.008 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)N(C)Cc1ccc(C)cc1 ZINC000159485392 384279550 /nfs/dbraw/zinc/27/95/50/384279550.db2.gz CPEFLDKKYCSPNB-GDBMZVCRSA-N 0 0 245.366 3.390 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)N(C)Cc1ccc(C)cc1 ZINC000159485494 322971186 /nfs/dbraw/zinc/97/11/86/322971186.db2.gz CPEFLDKKYCSPNB-ZBFHGGJFSA-N 0 0 245.366 3.390 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)N(C)Cc1ccc(C)cc1 ZINC000159485626 384276619 /nfs/dbraw/zinc/27/66/19/384276619.db2.gz CPEFLDKKYCSPNB-GOEBONIOSA-N 0 0 245.366 3.390 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)N(C)Cc1ccc(C)cc1 ZINC000159485721 322970929 /nfs/dbraw/zinc/97/09/29/322970929.db2.gz CPEFLDKKYCSPNB-HOCLYGCPSA-N 0 0 245.366 3.390 20 70 BGIDRN CCC(C)(CC)C(=O)NC1Cc2ccccc2C1 ZINC000159488155 538111448 /nfs/dbraw/zinc/11/14/48/538111448.db2.gz FYZZLBSTKBICFK-UHFFFAOYSA-N 0 0 245.366 3.096 20 70 BGIDRN CC[C@H](NC(=O)C1(C)CC1)c1ccc(OC)cc1 ZINC000159492940 322972158 /nfs/dbraw/zinc/97/21/58/322972158.db2.gz NTUVWZAIRWPLIQ-ZDUSSCGKSA-N 0 0 247.338 3.063 20 70 BGIDRN CC[C@@H](NC(=O)C1(C)CC1)c1ccc(OC)cc1 ZINC000159493089 322972078 /nfs/dbraw/zinc/97/20/78/322972078.db2.gz NTUVWZAIRWPLIQ-CYBMUJFWSA-N 0 0 247.338 3.063 20 70 BGIDRN CCC(C)(CC)C(=O)N(C)c1ncccc1F ZINC000159497018 541494586 /nfs/dbraw/zinc/49/45/86/541494586.db2.gz DSLCYNGWEXBIGW-UHFFFAOYSA-N 0 0 238.306 3.010 20 70 BGIDRN CCc1ncsc1NC(=O)C(C)(CC)CC ZINC000159500587 538877840 /nfs/dbraw/zinc/87/78/40/538877840.db2.gz UDZIGSXQHHQOOJ-UHFFFAOYSA-N 0 0 240.372 3.470 20 70 BGIDRN CC(C)C(=O)N1C[C@@H](C)CSc2ccccc21 ZINC000159500943 384335677 /nfs/dbraw/zinc/33/56/77/384335677.db2.gz ZNBCNHDLBQKZLJ-LLVKDONJSA-N 0 0 249.379 3.417 20 70 BGIDRN CC(C)C(=O)N1C[C@H](C)CSc2ccccc21 ZINC000159501071 384335906 /nfs/dbraw/zinc/33/59/06/384335906.db2.gz ZNBCNHDLBQKZLJ-NSHDSACASA-N 0 0 249.379 3.417 20 70 BGIDRN COC(=O)c1ccc(OC2CCC2)cc1Cl ZINC000159506112 323000703 /nfs/dbraw/zinc/00/07/03/323000703.db2.gz RCPKFYASYHKROA-UHFFFAOYSA-N 0 0 240.686 3.058 20 70 BGIDRN CCCCC(=O)NCCc1cc2ccccc2[nH]1 ZINC000159506442 386025712 /nfs/dbraw/zinc/02/57/12/386025712.db2.gz PFAMMVVUBILLLT-UHFFFAOYSA-N 0 0 244.338 3.017 20 70 BGIDRN CCc1noc(C)c1NC(=O)C(C)(CC)CC ZINC000159507200 538877999 /nfs/dbraw/zinc/87/79/99/538877999.db2.gz NFVHNIRRWAJVFF-UHFFFAOYSA-N 0 0 238.331 3.310 20 70 BGIDRN CCC(C)(CC)C(=O)N[C@@H](C)C1CCC1 ZINC000159508402 538877636 /nfs/dbraw/zinc/87/76/36/538877636.db2.gz KRFRNFMCSLUJDJ-JTQLQIEISA-N 0 0 211.349 3.118 20 70 BGIDRN CCC(C)(CC)C(=O)N[C@H](C)C1CCC1 ZINC000159508532 538877619 /nfs/dbraw/zinc/87/76/19/538877619.db2.gz KRFRNFMCSLUJDJ-SNVBAGLBSA-N 0 0 211.349 3.118 20 70 BGIDRN CCCN(C)C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC000159509941 169057566 /nfs/dbraw/zinc/05/75/66/169057566.db2.gz YPXPOOPAMXDIIG-ZDUSSCGKSA-N 0 0 237.318 3.188 20 70 BGIDRN CCCN(C)C(=O)[C@H](CC)c1ccc(F)cc1 ZINC000159510087 169058738 /nfs/dbraw/zinc/05/87/38/169058738.db2.gz YPXPOOPAMXDIIG-CYBMUJFWSA-N 0 0 237.318 3.188 20 70 BGIDRN CCc1onc(C)c1NC(=O)C(C)(CC)CC ZINC000159511375 538878081 /nfs/dbraw/zinc/87/80/81/538878081.db2.gz DFZGBLVVYURJKG-UHFFFAOYSA-N 0 0 238.331 3.310 20 70 BGIDRN CCC(C)(CC)C(=O)Nc1ccc(C(C)=O)cn1 ZINC000159512721 538877919 /nfs/dbraw/zinc/87/79/19/538877919.db2.gz SXCXSSWCNUIGFK-UHFFFAOYSA-N 0 0 248.326 3.049 20 70 BGIDRN Cc1ccccc1[C@@H](C)[N@H+](C)CCOCC1CC1 ZINC000159513288 323019822 /nfs/dbraw/zinc/01/98/22/323019822.db2.gz OLIJZGHFJZIEOA-CQSZACIVSA-N 0 0 247.382 3.414 20 70 BGIDRN CCC(C)(CC)C(=O)Nc1ccnc(C)c1 ZINC000159516494 538877776 /nfs/dbraw/zinc/87/77/76/538877776.db2.gz ZICYHVKQFRAWEK-UHFFFAOYSA-N 0 0 220.316 3.155 20 70 BGIDRN CCC(C)(CC)C(=O)Nc1ncccc1Cl ZINC000159518103 538877973 /nfs/dbraw/zinc/87/79/73/538877973.db2.gz HFTMBUCJOPJRQG-UHFFFAOYSA-N 0 0 240.734 3.500 20 70 BGIDRN CC(C)N(CCOCC1CC1)c1ccccc1 ZINC000159522963 323035643 /nfs/dbraw/zinc/03/56/43/323035643.db2.gz RFTJBBKOCPJIFP-UHFFFAOYSA-N 0 0 233.355 3.328 20 70 BGIDRN CCOCCCN(c1ccccc1)C(C)C ZINC000159523278 345440130 /nfs/dbraw/zinc/44/01/30/345440130.db2.gz ZYSIUBLLYUMMOX-UHFFFAOYSA-N 0 0 221.344 3.328 20 70 BGIDRN CC[C@@H](CSC)N(C)C(=O)C(C)(CC)CC ZINC000159524286 350847036 /nfs/dbraw/zinc/84/70/36/350847036.db2.gz TXPRPWSBVZAGQN-NSHDSACASA-N 0 0 245.432 3.413 20 70 BGIDRN CC[C@H](CSC)N(C)C(=O)C(C)(CC)CC ZINC000159524423 350846847 /nfs/dbraw/zinc/84/68/47/350846847.db2.gz TXPRPWSBVZAGQN-LLVKDONJSA-N 0 0 245.432 3.413 20 70 BGIDRN CCOC(C)(C)CNc1nc2ccccc2o1 ZINC000159526897 345441446 /nfs/dbraw/zinc/44/14/46/345441446.db2.gz XPNHQFOODTWIAR-UHFFFAOYSA-N 0 0 234.299 3.055 20 70 BGIDRN CC[C@@H]1CCC[C@@H]1NC(=O)c1sccc1C ZINC000159529923 346423961 /nfs/dbraw/zinc/42/39/61/346423961.db2.gz UMSONIHSDVBGAI-MNOVXSKESA-N 0 0 237.368 3.365 20 70 BGIDRN CC[C@H]1CCC[C@@H]1NC(=O)c1sccc1C ZINC000159530031 171625789 /nfs/dbraw/zinc/62/57/89/171625789.db2.gz UMSONIHSDVBGAI-QWRGUYRKSA-N 0 0 237.368 3.365 20 70 BGIDRN CC[C@@H]1CCC[C@H]1NC(=O)c1sccc1C ZINC000159530155 171000538 /nfs/dbraw/zinc/00/05/38/171000538.db2.gz UMSONIHSDVBGAI-GHMZBOCLSA-N 0 0 237.368 3.365 20 70 BGIDRN CC[C@H]1CCC[C@H]1NC(=O)c1sccc1C ZINC000159530299 171627756 /nfs/dbraw/zinc/62/77/56/171627756.db2.gz UMSONIHSDVBGAI-WDEREUQCSA-N 0 0 237.368 3.365 20 70 BGIDRN CC[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1C ZINC000159531010 323035781 /nfs/dbraw/zinc/03/57/81/323035781.db2.gz CBZISANGSRNKHL-OCCSQVGLSA-N 0 0 231.339 3.304 20 70 BGIDRN CC[C@H]1CCC[C@@H]1NC(=O)c1ccccc1C ZINC000159531133 323035763 /nfs/dbraw/zinc/03/57/63/323035763.db2.gz CBZISANGSRNKHL-JSGCOSHPSA-N 0 0 231.339 3.304 20 70 BGIDRN CC[C@@H]1CCC[C@H]1NC(=O)c1ccccc1C ZINC000159531258 323035771 /nfs/dbraw/zinc/03/57/71/323035771.db2.gz CBZISANGSRNKHL-TZMCWYRMSA-N 0 0 231.339 3.304 20 70 BGIDRN CCOC(C)(C)CNc1ccc2ccccc2n1 ZINC000159531298 345441464 /nfs/dbraw/zinc/44/14/64/345441464.db2.gz WUALMQAQJJUCQZ-UHFFFAOYSA-N 0 0 244.338 3.462 20 70 BGIDRN CC[C@H]1CCC[C@H]1NC(=O)c1ccccc1C ZINC000159531393 323035799 /nfs/dbraw/zinc/03/57/99/323035799.db2.gz CBZISANGSRNKHL-GXTWGEPZSA-N 0 0 231.339 3.304 20 70 BGIDRN CCC(CC)NC(=O)c1ccc(C(C)C)nc1 ZINC000159537029 168386064 /nfs/dbraw/zinc/38/60/64/168386064.db2.gz JPIMPLPQVFZKLF-UHFFFAOYSA-N 0 0 234.343 3.123 20 70 BGIDRN COCCCc1nc(C(C)(C)C)cs1 ZINC000159540342 174265994 /nfs/dbraw/zinc/26/59/94/174265994.db2.gz QJNVFNSVJXPTKX-UHFFFAOYSA-N 0 0 213.346 3.020 20 70 BGIDRN Cc1cc2ncn(CC3CCC3)c2cc1C ZINC000159541243 345442095 /nfs/dbraw/zinc/44/20/95/345442095.db2.gz WYRDVUKMSFOCHH-UHFFFAOYSA-N 0 0 214.312 3.453 20 70 BGIDRN CCOC(C)(C)CNc1nccc2ccccc21 ZINC000159544087 323036236 /nfs/dbraw/zinc/03/62/36/323036236.db2.gz BTOWTSVEOSICBG-UHFFFAOYSA-N 0 0 244.338 3.462 20 70 BGIDRN CCCN(C)C(=O)C1CCC(C)(C)CC1 ZINC000159547419 323036303 /nfs/dbraw/zinc/03/63/03/323036303.db2.gz RGHSCOIPQKCAJE-UHFFFAOYSA-N 0 0 211.349 3.071 20 70 BGIDRN c1cc2c(ccnc2NCc2cncs2)s1 ZINC000159559800 384341105 /nfs/dbraw/zinc/34/11/05/384341105.db2.gz DJBGFXIXRPNTHI-UHFFFAOYSA-N 0 0 247.348 3.365 20 70 BGIDRN Cc1cc(CNc2ncccn2)ccc1Cl ZINC000159559956 361254662 /nfs/dbraw/zinc/25/46/62/361254662.db2.gz XDMUYJQYLLYVHZ-UHFFFAOYSA-N 0 0 233.702 3.051 20 70 BGIDRN CCC[C@@H](C)CC(=O)OCc1cncs1 ZINC000159571338 169358264 /nfs/dbraw/zinc/35/82/64/169358264.db2.gz MLVIQFDTZIMBGJ-SECBINFHSA-N 0 0 227.329 3.013 20 70 BGIDRN CCC[C@H](C)CC(=O)OCc1cncs1 ZINC000159571471 384341757 /nfs/dbraw/zinc/34/17/57/384341757.db2.gz MLVIQFDTZIMBGJ-VIFPVBQESA-N 0 0 227.329 3.013 20 70 BGIDRN Cc1cc(N[C@@H](C)c2ccc(F)cc2)nn1C ZINC000159572546 388021964 /nfs/dbraw/zinc/02/19/64/388021964.db2.gz YXTPXVLOWGDPNL-JTQLQIEISA-N 0 0 233.290 3.041 20 70 BGIDRN Cc1cc(N[C@H](C)c2ccc(F)cc2)nn1C ZINC000159572661 388022208 /nfs/dbraw/zinc/02/22/08/388022208.db2.gz YXTPXVLOWGDPNL-SNVBAGLBSA-N 0 0 233.290 3.041 20 70 BGIDRN CC[C@H](Nc1cc(C)n(C)n1)c1ccccc1 ZINC000159575045 384340367 /nfs/dbraw/zinc/34/03/67/384340367.db2.gz BXDSGEYIAGCGDS-ZDUSSCGKSA-N 0 0 229.327 3.292 20 70 BGIDRN CC[C@@H](Nc1cc(C)n(C)n1)c1ccccc1 ZINC000159575177 388022142 /nfs/dbraw/zinc/02/21/42/388022142.db2.gz BXDSGEYIAGCGDS-CYBMUJFWSA-N 0 0 229.327 3.292 20 70 BGIDRN CCCCCOc1c(OC)cccc1OC ZINC000159575217 323038413 /nfs/dbraw/zinc/03/84/13/323038413.db2.gz XWBJXDAUOXLTGK-UHFFFAOYSA-N 0 0 224.300 3.273 20 70 BGIDRN CCCCN(CC)c1ccc(C(=O)N(C)C)cc1 ZINC000159575360 323038301 /nfs/dbraw/zinc/03/83/01/323038301.db2.gz MMUCHADVKBGJFC-UHFFFAOYSA-N 0 0 248.370 3.015 20 70 BGIDRN Cc1cc(N[C@H](C)c2cccc(C)c2)nn1C ZINC000159576282 323038302 /nfs/dbraw/zinc/03/83/02/323038302.db2.gz PHWWELLAOBUNMN-GFCCVEGCSA-N 0 0 229.327 3.210 20 70 BGIDRN Cc1cc(N[C@@H](C)c2cccc(C)c2)nn1C ZINC000159576417 323038346 /nfs/dbraw/zinc/03/83/46/323038346.db2.gz PHWWELLAOBUNMN-LBPRGKRZSA-N 0 0 229.327 3.210 20 70 BGIDRN Cc1cc(N[C@H](C)c2ccccc2C)nn1C ZINC000159577760 323038471 /nfs/dbraw/zinc/03/84/71/323038471.db2.gz GKZUQUXFRSGQSR-GFCCVEGCSA-N 0 0 229.327 3.210 20 70 BGIDRN Cc1cc(N[C@@H](C)c2ccccc2C)nn1C ZINC000159577875 323038444 /nfs/dbraw/zinc/03/84/44/323038444.db2.gz GKZUQUXFRSGQSR-LBPRGKRZSA-N 0 0 229.327 3.210 20 70 BGIDRN CCCCCOc1ccc(OC)cc1C(C)=O ZINC000159578726 323038424 /nfs/dbraw/zinc/03/84/24/323038424.db2.gz VZUNYEQWJFBXCA-UHFFFAOYSA-N 0 0 236.311 3.467 20 70 BGIDRN Cc1cc(N[C@@H](C)c2ccccc2F)nn1C ZINC000159579545 323038591 /nfs/dbraw/zinc/03/85/91/323038591.db2.gz RHUURSAXYPCMNX-JTQLQIEISA-N 0 0 233.290 3.041 20 70 BGIDRN Cc1cc(N[C@H](C)c2ccccc2F)nn1C ZINC000159579668 323038587 /nfs/dbraw/zinc/03/85/87/323038587.db2.gz RHUURSAXYPCMNX-SNVBAGLBSA-N 0 0 233.290 3.041 20 70 BGIDRN CC[C@@H]1CCC[C@@H]1NC(=O)CCCCSC ZINC000159583461 345442843 /nfs/dbraw/zinc/44/28/43/345442843.db2.gz WHNRCLLXZLRUBY-NEPJUHHUSA-N 0 0 243.416 3.215 20 70 BGIDRN CC[C@H]1CCC[C@@H]1NC(=O)CCCCSC ZINC000159583562 345442762 /nfs/dbraw/zinc/44/27/62/345442762.db2.gz WHNRCLLXZLRUBY-RYUDHWBXSA-N 0 0 243.416 3.215 20 70 BGIDRN CC[C@@H]1CCC[C@H]1NC(=O)CCCCSC ZINC000159583643 136214488 /nfs/dbraw/zinc/21/44/88/136214488.db2.gz WHNRCLLXZLRUBY-VXGBXAGGSA-N 0 0 243.416 3.215 20 70 BGIDRN CC[C@H]1CCC[C@H]1NC(=O)CCCCSC ZINC000159583770 136214417 /nfs/dbraw/zinc/21/44/17/136214417.db2.gz WHNRCLLXZLRUBY-NWDGAFQWSA-N 0 0 243.416 3.215 20 70 BGIDRN Oc1cc(F)cc(CNc2ccccc2)c1 ZINC000159583834 136214517 /nfs/dbraw/zinc/21/45/17/136214517.db2.gz PNCIVTCTARQHCO-UHFFFAOYSA-N 0 0 217.243 3.143 20 70 BGIDRN C[C@H]1CSc2ccccc2N(C(=O)C2CC2)C1 ZINC000159584896 188158409 /nfs/dbraw/zinc/15/84/09/188158409.db2.gz JEBWIUSOPMUKAG-SNVBAGLBSA-N 0 0 247.363 3.171 20 70 BGIDRN C[C@@H]1CSc2ccccc2N(C(=O)C2CC2)C1 ZINC000159585017 176356592 /nfs/dbraw/zinc/35/65/92/176356592.db2.gz JEBWIUSOPMUKAG-JTQLQIEISA-N 0 0 247.363 3.171 20 70 BGIDRN CC(C)C[C@@H](C)NC(=O)N[C@H](C)C(C)(C)C ZINC000159585252 345469588 /nfs/dbraw/zinc/46/95/88/345469588.db2.gz OOUYQKLVMUMZOY-GHMZBOCLSA-N 0 0 228.380 3.155 20 70 BGIDRN CC(C)C[C@H](C)NC(=O)N[C@H](C)C(C)(C)C ZINC000159585359 345470763 /nfs/dbraw/zinc/47/07/63/345470763.db2.gz OOUYQKLVMUMZOY-WDEREUQCSA-N 0 0 228.380 3.155 20 70 BGIDRN CC1CCC(N(C)C(=O)C2=CCCC2)CC1 ZINC000159591251 323039642 /nfs/dbraw/zinc/03/96/42/323039642.db2.gz GJGBXJPMDHQRPK-UHFFFAOYSA-N 0 0 221.344 3.134 20 70 BGIDRN Cc1ccc(CNC(=O)NC2(C)CCC2)c(C)c1 ZINC000159594644 323039936 /nfs/dbraw/zinc/03/99/36/323039936.db2.gz BRFXHQNHTHVZPI-UHFFFAOYSA-N 0 0 246.354 3.045 20 70 BGIDRN Cc1cc(N[C@@H](C)c2cccc(F)c2)nn1C ZINC000159601249 323040064 /nfs/dbraw/zinc/04/00/64/323040064.db2.gz ODUQMKSJGLCVIH-JTQLQIEISA-N 0 0 233.290 3.041 20 70 BGIDRN Cc1cc(N[C@H](C)c2cccc(F)c2)nn1C ZINC000159601395 323040152 /nfs/dbraw/zinc/04/01/52/323040152.db2.gz ODUQMKSJGLCVIH-SNVBAGLBSA-N 0 0 233.290 3.041 20 70 BGIDRN CCC(C)(C)NC(=O)c1ccc(C(C)C)nc1 ZINC000159604119 168297106 /nfs/dbraw/zinc/29/71/06/168297106.db2.gz LIUJUAPLQHWMPG-UHFFFAOYSA-N 0 0 234.343 3.123 20 70 BGIDRN CCCC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159605437 345445791 /nfs/dbraw/zinc/44/57/91/345445791.db2.gz UWROAOBQARDXOL-UHFFFAOYSA-N 0 0 247.313 3.242 20 70 BGIDRN COCc1ccc(CNc2cccc(F)c2C)o1 ZINC000159605603 388023503 /nfs/dbraw/zinc/02/35/03/388023503.db2.gz ZELQYZIWZNKJSH-UHFFFAOYSA-N 0 0 249.285 3.486 20 70 BGIDRN CC1=C(C(=O)NCCC2=CCCCC2)CCCO1 ZINC000159606151 168077434 /nfs/dbraw/zinc/07/74/34/168077434.db2.gz IOBGEIKTGIHKOT-UHFFFAOYSA-N 0 0 249.354 3.078 20 70 BGIDRN CCCn1cc(CNc2cccc(F)c2C)cn1 ZINC000159608581 388023482 /nfs/dbraw/zinc/02/34/82/388023482.db2.gz NOCSAZFBZPMCHS-UHFFFAOYSA-N 0 0 247.317 3.353 20 70 BGIDRN CCCC(C)(C)NC(=O)c1cc(C)c(C)o1 ZINC000159610995 323040303 /nfs/dbraw/zinc/04/03/03/323040303.db2.gz DWWAZMFTUBXLBP-UHFFFAOYSA-N 0 0 223.316 3.205 20 70 BGIDRN CCCC(C)(C)NC(=O)c1oc(CC)cc1C ZINC000159611153 323040384 /nfs/dbraw/zinc/04/03/84/323040384.db2.gz WEFZAQJWGWWIFB-UHFFFAOYSA-N 0 0 237.343 3.459 20 70 BGIDRN CCc1ccc(NC(=O)Nc2nocc2C)cc1 ZINC000159614914 323040517 /nfs/dbraw/zinc/04/05/17/323040517.db2.gz BJSAGDCBSBXRIY-UHFFFAOYSA-N 0 0 245.282 3.189 20 70 BGIDRN Cc1c(F)cccc1NC(=O)[C@@H]1CC1(C)C ZINC000159616401 384344923 /nfs/dbraw/zinc/34/49/23/384344923.db2.gz XMGQJGFWSVJDQB-VIFPVBQESA-N 0 0 221.275 3.119 20 70 BGIDRN CCCCCOc1cccc(C(=O)NC2CC2)c1 ZINC000159620186 323040636 /nfs/dbraw/zinc/04/06/36/323040636.db2.gz IPMBHCXKHAPPJQ-UHFFFAOYSA-N 0 0 247.338 3.148 20 70 BGIDRN CCN(Cc1cccc(F)c1)C(=O)C1=CCCC1 ZINC000159621677 323040577 /nfs/dbraw/zinc/04/05/77/323040577.db2.gz AWVAAGZVYJMFBU-UHFFFAOYSA-N 0 0 247.313 3.285 20 70 BGIDRN CC(C)c1ccc(C(=O)N2CCCC[C@H]2C)cn1 ZINC000159626288 384346169 /nfs/dbraw/zinc/34/61/69/384346169.db2.gz ZODFOTQJMIZNSO-GFCCVEGCSA-N 0 0 246.354 3.220 20 70 BGIDRN CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C)cn1 ZINC000159626411 384345182 /nfs/dbraw/zinc/34/51/82/384345182.db2.gz ZODFOTQJMIZNSO-LBPRGKRZSA-N 0 0 246.354 3.220 20 70 BGIDRN CN(CCC1CCCC1)Cc1cscn1 ZINC000159642819 384344691 /nfs/dbraw/zinc/34/46/91/384344691.db2.gz ZRSOQDXSAPFZAV-UHFFFAOYSA-N 0 0 224.373 3.155 20 70 BGIDRN CCCCCn1nccc1-c1cccnc1 ZINC000159651258 168751165 /nfs/dbraw/zinc/75/11/65/168751165.db2.gz XAGQZPRYNYGTKH-UHFFFAOYSA-N 0 0 215.300 3.135 20 70 BGIDRN CCCCCn1nccc1-c1ccncc1 ZINC000159662928 384349389 /nfs/dbraw/zinc/34/93/89/384349389.db2.gz AMNWYBAABXAREP-UHFFFAOYSA-N 0 0 215.300 3.135 20 70 BGIDRN Fc1ccc(CN2CCCC2)cc1C(F)(F)F ZINC000159663764 323043476 /nfs/dbraw/zinc/04/34/76/323043476.db2.gz ZFKYPSBDZYTVDQ-UHFFFAOYSA-N 0 0 247.235 3.440 20 70 BGIDRN CCCc1cc(NC(=O)CCC(C)(C)C)n[nH]1 ZINC000159665375 388025705 /nfs/dbraw/zinc/02/57/05/388025705.db2.gz SBFFZLHNFLBCCY-UHFFFAOYSA-N 0 0 237.347 3.127 20 70 BGIDRN Cc1ccc([C@@H](C)NC(=O)NC2(C)CCC2)cc1 ZINC000159668313 178836397 /nfs/dbraw/zinc/83/63/97/178836397.db2.gz IMVPUUJTYWGGPB-GFCCVEGCSA-N 0 0 246.354 3.298 20 70 BGIDRN Cc1ccc([C@H](C)NC(=O)NC2(C)CCC2)cc1 ZINC000159668436 384347523 /nfs/dbraw/zinc/34/75/23/384347523.db2.gz IMVPUUJTYWGGPB-LBPRGKRZSA-N 0 0 246.354 3.298 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)Nc1nc(C)c(C)s1 ZINC000159668920 323043467 /nfs/dbraw/zinc/04/34/67/323043467.db2.gz LQNXKXPFHBPNPJ-BXKDBHETSA-N 0 0 238.356 3.135 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1nc(C)c(C)s1 ZINC000159669050 323043479 /nfs/dbraw/zinc/04/34/79/323043479.db2.gz LQNXKXPFHBPNPJ-SKDRFNHKSA-N 0 0 238.356 3.135 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)Nc1nc(C)c(C)s1 ZINC000159669237 323043401 /nfs/dbraw/zinc/04/34/01/323043401.db2.gz LQNXKXPFHBPNPJ-JOYOIKCWSA-N 0 0 238.356 3.135 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1nc(C)c(C)s1 ZINC000159669341 323043433 /nfs/dbraw/zinc/04/34/33/323043433.db2.gz LQNXKXPFHBPNPJ-CABZTGNLSA-N 0 0 238.356 3.135 20 70 BGIDRN CC(C)CCN(C)C(=O)C[C@@H](C)c1ccncc1 ZINC000159677364 538111474 /nfs/dbraw/zinc/11/14/74/538111474.db2.gz VGHMIWUAJRLPJU-CYBMUJFWSA-N 0 0 248.370 3.080 20 70 BGIDRN CC(C)CCN(C)C(=O)C[C@H](C)c1ccncc1 ZINC000159677501 538111476 /nfs/dbraw/zinc/11/14/76/538111476.db2.gz VGHMIWUAJRLPJU-ZDUSSCGKSA-N 0 0 248.370 3.080 20 70 BGIDRN CCN(CC(C)C)C(=O)C[C@@H](C)c1ccncc1 ZINC000159677641 538878486 /nfs/dbraw/zinc/87/84/86/538878486.db2.gz OEQOAHMSLQMCMK-CYBMUJFWSA-N 0 0 248.370 3.080 20 70 BGIDRN CCN(CC(C)C)C(=O)C[C@H](C)c1ccncc1 ZINC000159677772 538878480 /nfs/dbraw/zinc/87/84/80/538878480.db2.gz OEQOAHMSLQMCMK-ZDUSSCGKSA-N 0 0 248.370 3.080 20 70 BGIDRN CC[C@H](Nc1cc(C)n(C)n1)c1ccc(F)cc1 ZINC000159679993 201688197 /nfs/dbraw/zinc/68/81/97/201688197.db2.gz HNQIIUSJCRBSTK-ZDUSSCGKSA-N 0 0 247.317 3.431 20 70 BGIDRN CC[C@@H](Nc1cc(C)n(C)n1)c1ccc(F)cc1 ZINC000159680152 201688478 /nfs/dbraw/zinc/68/84/78/201688478.db2.gz HNQIIUSJCRBSTK-CYBMUJFWSA-N 0 0 247.317 3.431 20 70 BGIDRN CCN(CC)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000159683228 384348097 /nfs/dbraw/zinc/34/80/97/384348097.db2.gz DFBIVLLVEGJQPJ-CYBMUJFWSA-N 0 0 248.370 3.150 20 70 BGIDRN CCN(CC)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000159683361 169753377 /nfs/dbraw/zinc/75/33/77/169753377.db2.gz DFBIVLLVEGJQPJ-ZDUSSCGKSA-N 0 0 248.370 3.150 20 70 BGIDRN CCOc1cccc(NC(=O)[C@@H]2CC2(C)C)c1 ZINC000159684734 134828445 /nfs/dbraw/zinc/82/84/45/134828445.db2.gz HIDCUXMRXRRZQZ-LBPRGKRZSA-N 0 0 233.311 3.070 20 70 BGIDRN C[C@@H]1CCC[C@H](C(=O)NCC2(C3CC3)CC2)C1 ZINC000159686320 323043851 /nfs/dbraw/zinc/04/38/51/323043851.db2.gz NGQSWUJDPIFBBT-NEPJUHHUSA-N 0 0 235.371 3.119 20 70 BGIDRN C[C@H]1CCC[C@H](C(=O)NCC2(C3CC3)CC2)C1 ZINC000159686459 323043783 /nfs/dbraw/zinc/04/37/83/323043783.db2.gz NGQSWUJDPIFBBT-RYUDHWBXSA-N 0 0 235.371 3.119 20 70 BGIDRN C[C@@H]1CCC[C@@H](C(=O)NCC2(C3CC3)CC2)C1 ZINC000159686586 323043906 /nfs/dbraw/zinc/04/39/06/323043906.db2.gz NGQSWUJDPIFBBT-VXGBXAGGSA-N 0 0 235.371 3.119 20 70 BGIDRN C[C@H]1CCC[C@@H](C(=O)NCC2(C3CC3)CC2)C1 ZINC000159686703 323043908 /nfs/dbraw/zinc/04/39/08/323043908.db2.gz NGQSWUJDPIFBBT-NWDGAFQWSA-N 0 0 235.371 3.119 20 70 BGIDRN CCC(CC)(CC)CNC(=O)N1CCC[C@@H]1C ZINC000159687747 323043848 /nfs/dbraw/zinc/04/38/48/323043848.db2.gz JCPFDEDEWQCLSW-LBPRGKRZSA-N 0 0 240.391 3.397 20 70 BGIDRN CCC(CC)(CC)CNC(=O)N1CCC[C@H]1C ZINC000159687908 323043823 /nfs/dbraw/zinc/04/38/23/323043823.db2.gz JCPFDEDEWQCLSW-GFCCVEGCSA-N 0 0 240.391 3.397 20 70 BGIDRN Cc1ccc(C(=O)NCC2(C3CC3)CC2)c(C)c1 ZINC000159693187 178403910 /nfs/dbraw/zinc/40/39/10/178403910.db2.gz VJAOMHQGJGLGHC-UHFFFAOYSA-N 0 0 243.350 3.223 20 70 BGIDRN CCCCCOc1cccc(C(=O)N(C)CC)c1 ZINC000159694344 168730933 /nfs/dbraw/zinc/73/09/33/168730933.db2.gz GTRWVWVIPNZCAL-UHFFFAOYSA-N 0 0 249.354 3.348 20 70 BGIDRN CCCCCn1ccc(=O)c2ccccc21 ZINC000159694905 384352213 /nfs/dbraw/zinc/35/22/13/384352213.db2.gz TTXAOYYRYDZOQS-UHFFFAOYSA-N 0 0 215.296 3.192 20 70 BGIDRN CCN(C(=O)C1=CCCC1)c1ccc(F)cc1 ZINC000159695616 323044153 /nfs/dbraw/zinc/04/41/53/323044153.db2.gz NNZXKHAQGHESGJ-UHFFFAOYSA-N 0 0 233.286 3.289 20 70 BGIDRN CC(C)C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000159699759 384351488 /nfs/dbraw/zinc/35/14/88/384351488.db2.gz WUPARUQAROHPBE-UHFFFAOYSA-N 0 0 247.313 3.097 20 70 BGIDRN CCC(=O)N1C[C@H](C)CSc2ccccc21 ZINC000159699814 168226508 /nfs/dbraw/zinc/22/65/08/168226508.db2.gz IBFSOUURNPUEIZ-JTQLQIEISA-N 0 0 235.352 3.171 20 70 BGIDRN CCC(=O)N1C[C@@H](C)CSc2ccccc21 ZINC000159699950 168226884 /nfs/dbraw/zinc/22/68/84/168226884.db2.gz IBFSOUURNPUEIZ-SNVBAGLBSA-N 0 0 235.352 3.171 20 70 BGIDRN O=C(NCCC1=CCCC1)Nc1ccccc1 ZINC000159703859 182152132 /nfs/dbraw/zinc/15/21/32/182152132.db2.gz JOXIHNVBXWYWIR-UHFFFAOYSA-N 0 0 230.311 3.309 20 70 BGIDRN CCCSCc1ccc(C(=O)OC)s1 ZINC000159707471 323044401 /nfs/dbraw/zinc/04/44/01/323044401.db2.gz QFNGBRXAGNBLFR-UHFFFAOYSA-N 0 0 230.354 3.178 20 70 BGIDRN CCc1ccc(C(=O)NCC2(C3CC3)CC2)cc1 ZINC000159707769 323044371 /nfs/dbraw/zinc/04/43/71/323044371.db2.gz YLENUHFKKDECQX-UHFFFAOYSA-N 0 0 243.350 3.169 20 70 BGIDRN CCCCCn1cc(NC(=O)C(C)(C)C)cn1 ZINC000159709203 168751886 /nfs/dbraw/zinc/75/18/86/168751886.db2.gz BNWXXIAXGUCXNN-UHFFFAOYSA-N 0 0 237.347 3.058 20 70 BGIDRN CC[C@@H]1CCC[C@@H]1NC(=O)c1cscc1C ZINC000159710896 346428199 /nfs/dbraw/zinc/42/81/99/346428199.db2.gz WCFADXDZSSEEDN-PWSUYJOCSA-N 0 0 237.368 3.365 20 70 BGIDRN CC[C@H]1CCC[C@@H]1NC(=O)c1cscc1C ZINC000159711002 384352074 /nfs/dbraw/zinc/35/20/74/384352074.db2.gz WCFADXDZSSEEDN-JQWIXIFHSA-N 0 0 237.368 3.365 20 70 BGIDRN CC[C@@H]1CCC[C@H]1NC(=O)c1cscc1C ZINC000159711115 171001807 /nfs/dbraw/zinc/00/18/07/171001807.db2.gz WCFADXDZSSEEDN-ZYHUDNBSSA-N 0 0 237.368 3.365 20 70 BGIDRN CC[C@H]1CCC[C@H]1NC(=O)c1cscc1C ZINC000159711223 384351867 /nfs/dbraw/zinc/35/18/67/384351867.db2.gz WCFADXDZSSEEDN-CMPLNLGQSA-N 0 0 237.368 3.365 20 70 BGIDRN CC[C@@H]1CCC[C@@H]1NC(=O)c1oc(C)cc1C ZINC000159711360 170991180 /nfs/dbraw/zinc/99/11/80/170991180.db2.gz WUJJICYUCXDTQW-NEPJUHHUSA-N 0 0 235.327 3.205 20 70 BGIDRN CC[C@H]1CCC[C@@H]1NC(=O)c1oc(C)cc1C ZINC000159711487 384351515 /nfs/dbraw/zinc/35/15/15/384351515.db2.gz WUJJICYUCXDTQW-RYUDHWBXSA-N 0 0 235.327 3.205 20 70 BGIDRN CC[C@@H]1CCC[C@H]1NC(=O)c1oc(C)cc1C ZINC000159711609 171000904 /nfs/dbraw/zinc/00/09/04/171000904.db2.gz WUJJICYUCXDTQW-VXGBXAGGSA-N 0 0 235.327 3.205 20 70 BGIDRN CC[C@H]1CCC[C@H]1NC(=O)c1oc(C)cc1C ZINC000159711725 384352480 /nfs/dbraw/zinc/35/24/80/384352480.db2.gz WUJJICYUCXDTQW-NWDGAFQWSA-N 0 0 235.327 3.205 20 70 BGIDRN CC[C@@H]1CCCN(C(=O)CCCCSC)C1 ZINC000159722316 345495585 /nfs/dbraw/zinc/49/55/85/345495585.db2.gz LROIHDPPEADOIG-GFCCVEGCSA-N 0 0 243.416 3.168 20 70 BGIDRN CC[C@H]1CCCN(C(=O)CCCCSC)C1 ZINC000159722428 345495244 /nfs/dbraw/zinc/49/52/44/345495244.db2.gz LROIHDPPEADOIG-LBPRGKRZSA-N 0 0 243.416 3.168 20 70 BGIDRN C[C@H](C(=O)NCC1(C2CC2)CC1)c1cccs1 ZINC000159722829 384352762 /nfs/dbraw/zinc/35/27/62/384352762.db2.gz VOGJHOVCJZNDRI-JTQLQIEISA-N 0 0 249.379 3.158 20 70 BGIDRN C[C@@H](C(=O)NCC1(C2CC2)CC1)c1cccs1 ZINC000159722960 384352489 /nfs/dbraw/zinc/35/24/89/384352489.db2.gz VOGJHOVCJZNDRI-SNVBAGLBSA-N 0 0 249.379 3.158 20 70 BGIDRN O=C(CCC1CCCC1)NCC1(C2CC2)CC1 ZINC000159723228 323045490 /nfs/dbraw/zinc/04/54/90/323045490.db2.gz WIVBCTCYAKJARH-UHFFFAOYSA-N 0 0 235.371 3.263 20 70 BGIDRN Cc1cc(OCc2c(C)cc(C)cc2C)nn1C ZINC000159727112 323045197 /nfs/dbraw/zinc/04/51/97/323045197.db2.gz DCELYQKWXQVOFG-UHFFFAOYSA-N 0 0 244.338 3.233 20 70 BGIDRN c1cn(CCSc2ccc3c(c2)CCC3)cn1 ZINC000159727523 323045118 /nfs/dbraw/zinc/04/51/18/323045118.db2.gz MVHBWIZILDGHCF-UHFFFAOYSA-N 0 0 244.363 3.164 20 70 BGIDRN CSc1ccc(NC(=O)C2(C)CC2)cc1 ZINC000159730983 323045334 /nfs/dbraw/zinc/04/53/34/323045334.db2.gz ODQYUWQJAZMFHK-UHFFFAOYSA-N 0 0 221.325 3.147 20 70 BGIDRN CSc1ccc(NC(=O)C2=CCCC2)cc1 ZINC000159731768 323045679 /nfs/dbraw/zinc/04/56/79/323045679.db2.gz UPORGEADOGSKSG-UHFFFAOYSA-N 0 0 233.336 3.457 20 70 BGIDRN CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(C)oc1C ZINC000159736892 134788512 /nfs/dbraw/zinc/78/85/12/134788512.db2.gz FDLMFKUZOHPZSU-YPMHNXCESA-N 0 0 235.327 3.205 20 70 BGIDRN CC[C@H]1CCC[C@@H]1NC(=O)c1cc(C)oc1C ZINC000159737018 345507579 /nfs/dbraw/zinc/50/75/79/345507579.db2.gz FDLMFKUZOHPZSU-AAEUAGOBSA-N 0 0 235.327 3.205 20 70 BGIDRN CC[C@@H]1CCC[C@H]1NC(=O)c1cc(C)oc1C ZINC000159737140 345507441 /nfs/dbraw/zinc/50/74/41/345507441.db2.gz FDLMFKUZOHPZSU-DGCLKSJQSA-N 0 0 235.327 3.205 20 70 BGIDRN CC[C@H]1CCC[C@H]1NC(=O)c1cc(C)oc1C ZINC000159737274 134788533 /nfs/dbraw/zinc/78/85/33/134788533.db2.gz FDLMFKUZOHPZSU-WCQYABFASA-N 0 0 235.327 3.205 20 70 BGIDRN O=C(NCCC1=CCCC1)Nc1ccc(F)cc1 ZINC000159742911 323046532 /nfs/dbraw/zinc/04/65/32/323046532.db2.gz WDJAXIFMCIPESJ-UHFFFAOYSA-N 0 0 248.301 3.448 20 70 BGIDRN Oc1ccc(SCc2cncs2)cc1 ZINC000159743503 350991088 /nfs/dbraw/zinc/99/10/88/350991088.db2.gz FUMAQJMHOWKXBL-UHFFFAOYSA-N 0 0 223.322 3.141 20 70 BGIDRN Oc1ccccc1SCc1cncs1 ZINC000159743646 350984280 /nfs/dbraw/zinc/98/42/80/350984280.db2.gz UQUIVXDVQKGUGT-UHFFFAOYSA-N 0 0 223.322 3.141 20 70 BGIDRN CC(C)(C)c1nsc(N2CCC(C)(C)C2)n1 ZINC000159746940 134788462 /nfs/dbraw/zinc/78/84/62/134788462.db2.gz DHLYUZDZHURGDS-UHFFFAOYSA-N 0 0 239.388 3.072 20 70 BGIDRN CCOc1ccc(NC(=O)[C@@H]2CC2(C)C)c(C)c1 ZINC000159751656 384353548 /nfs/dbraw/zinc/35/35/48/384353548.db2.gz FLEFRZFFYNSCNY-LBPRGKRZSA-N 0 0 247.338 3.378 20 70 BGIDRN CC(C)c1ccccc1OC(=O)[C@@H]1CCCCO1 ZINC000159755985 384354372 /nfs/dbraw/zinc/35/43/72/384354372.db2.gz FMRFMXOVNPIFHQ-AWEZNQCLSA-N 0 0 248.322 3.285 20 70 BGIDRN CC(C)c1ccccc1OC(=O)[C@H]1CCCCO1 ZINC000159756110 384353692 /nfs/dbraw/zinc/35/36/92/384353692.db2.gz FMRFMXOVNPIFHQ-CQSZACIVSA-N 0 0 248.322 3.285 20 70 BGIDRN COC(=O)c1ccc(CSC(C)C)s1 ZINC000159759698 384355866 /nfs/dbraw/zinc/35/58/66/384355866.db2.gz LXSLUXQEBDYFCF-UHFFFAOYSA-N 0 0 230.354 3.176 20 70 BGIDRN CCOC(=O)C(C)(C)c1csc(C(C)C)n1 ZINC000159760197 170187892 /nfs/dbraw/zinc/18/78/92/170187892.db2.gz JWXVHGGTLQGHCU-UHFFFAOYSA-N 0 0 241.356 3.107 20 70 BGIDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)C1CC1 ZINC000159766568 384355775 /nfs/dbraw/zinc/35/57/75/384355775.db2.gz ALUVGWLKVCJZOV-WCQGTBRESA-N 0 0 249.379 3.075 20 70 BGIDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)N[C@@H](C)C1CC1 ZINC000159766687 384354078 /nfs/dbraw/zinc/35/40/78/384354078.db2.gz ALUVGWLKVCJZOV-DLOVCJGASA-N 0 0 249.379 3.075 20 70 BGIDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)C1CC1 ZINC000159766794 384353900 /nfs/dbraw/zinc/35/39/00/384353900.db2.gz ALUVGWLKVCJZOV-MVWJERBFSA-N 0 0 249.379 3.075 20 70 BGIDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)N[C@@H](C)C1CC1 ZINC000159766926 384355726 /nfs/dbraw/zinc/35/57/26/384355726.db2.gz ALUVGWLKVCJZOV-ZMLRMANQSA-N 0 0 249.379 3.075 20 70 BGIDRN CCc1noc(C)c1CSCCOC(C)C ZINC000159772425 172081184 /nfs/dbraw/zinc/08/11/84/172081184.db2.gz DBGDYZICSFVDKO-UHFFFAOYSA-N 0 0 243.372 3.204 20 70 BGIDRN O=C(NCC1(C2CC2)CC1)c1ccccc1Cl ZINC000159774094 182127079 /nfs/dbraw/zinc/12/70/79/182127079.db2.gz XPJRIZJFXVPRIA-UHFFFAOYSA-N 0 0 249.741 3.260 20 70 BGIDRN C/C=C/CSCc1c(C)onc1CC ZINC000159776078 188158922 /nfs/dbraw/zinc/15/89/22/188158922.db2.gz OMLDGVJUINADHL-GQCTYLIASA-N 0 0 211.330 3.355 20 70 BGIDRN C/C=C/CSCc1ccc(C(=O)OC)s1 ZINC000159776226 323047482 /nfs/dbraw/zinc/04/74/82/323047482.db2.gz FFOVUSCHQONCCM-ONEGZZNKSA-N 0 0 242.365 3.344 20 70 BGIDRN CC[C@@H](C)[C@@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC000159781386 323047664 /nfs/dbraw/zinc/04/76/64/323047664.db2.gz QQJQEFKTVOZWGO-NXEZZACHSA-N 0 0 247.329 3.363 20 70 BGIDRN CC[C@H](C)[C@@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC000159781516 323047607 /nfs/dbraw/zinc/04/76/07/323047607.db2.gz QQJQEFKTVOZWGO-VHSXEESVSA-N 0 0 247.329 3.363 20 70 BGIDRN CC[C@@H](C)[C@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC000159781644 323047508 /nfs/dbraw/zinc/04/75/08/323047508.db2.gz QQJQEFKTVOZWGO-ZJUUUORDSA-N 0 0 247.329 3.363 20 70 BGIDRN CC[C@H](C)[C@H](C)NC(=O)C1CCC(F)(F)CC1 ZINC000159781766 323047538 /nfs/dbraw/zinc/04/75/38/323047538.db2.gz QQJQEFKTVOZWGO-UWVGGRQHSA-N 0 0 247.329 3.363 20 70 BGIDRN O=C(NCCC1=CCCC1)Nc1cccc(F)c1 ZINC000159782028 323047555 /nfs/dbraw/zinc/04/75/55/323047555.db2.gz MNXWTFGXADEGLZ-UHFFFAOYSA-N 0 0 248.301 3.448 20 70 BGIDRN CC[C@@H]1CCC[C@@H]1NC(=O)C[C@H]1C=CCC1 ZINC000159782451 345530408 /nfs/dbraw/zinc/53/04/08/345530408.db2.gz KLNMQLGDTBFNFJ-XQQFMLRXSA-N 0 0 221.344 3.038 20 70 BGIDRN CC[C@H]1CCC[C@@H]1NC(=O)C[C@H]1C=CCC1 ZINC000159782601 345530583 /nfs/dbraw/zinc/53/05/83/345530583.db2.gz KLNMQLGDTBFNFJ-AVGNSLFASA-N 0 0 221.344 3.038 20 70 BGIDRN CC[C@@H]1CCC[C@H]1NC(=O)C[C@H]1C=CCC1 ZINC000159782716 345530450 /nfs/dbraw/zinc/53/04/50/345530450.db2.gz KLNMQLGDTBFNFJ-YNEHKIRRSA-N 0 0 221.344 3.038 20 70 BGIDRN CC[C@H]1CCC[C@H]1NC(=O)C[C@H]1C=CCC1 ZINC000159782849 345530558 /nfs/dbraw/zinc/53/05/58/345530558.db2.gz KLNMQLGDTBFNFJ-RWMBFGLXSA-N 0 0 221.344 3.038 20 70 BGIDRN Cc1cccc2c1CCN2CCCOC(C)C ZINC000159790251 398192908 /nfs/dbraw/zinc/19/29/08/398192908.db2.gz FHCRFFFJZNVBOL-UHFFFAOYSA-N 0 0 233.355 3.173 20 70 BGIDRN Cc1cc(OCCCC2CCCC2)nn1C ZINC000159800219 323048916 /nfs/dbraw/zinc/04/89/16/323048916.db2.gz ZEJBSPYMQFRALU-UHFFFAOYSA-N 0 0 222.332 3.078 20 70 BGIDRN Cc1cc(C(=O)NCC2(C3CC3)CC2)c(C)s1 ZINC000159806934 538879309 /nfs/dbraw/zinc/87/93/09/538879309.db2.gz UQVYBQZBGONMBJ-UHFFFAOYSA-N 0 0 249.379 3.285 20 70 BGIDRN O=C(NCC1(C2CC2)CC1)c1cccc(Cl)c1 ZINC000159811139 323049091 /nfs/dbraw/zinc/04/90/91/323049091.db2.gz LAJHUEXTDAIVNZ-UHFFFAOYSA-N 0 0 249.741 3.260 20 70 BGIDRN CCOCCCSCc1c(CC)noc1C ZINC000159811766 323049173 /nfs/dbraw/zinc/04/91/73/323049173.db2.gz JYIRBLFXUPDYKU-UHFFFAOYSA-N 0 0 243.372 3.205 20 70 BGIDRN CC[N@@H+](Cc1cc(O)cc(F)c1)CC(C)C ZINC000159816736 345555966 /nfs/dbraw/zinc/55/59/66/345555966.db2.gz PHBMSZSPGFESLV-UHFFFAOYSA-N 0 0 225.307 3.009 20 70 BGIDRN CCC[N@H+](Cc1cc(O)cc(F)c1)C(C)C ZINC000159816874 323049280 /nfs/dbraw/zinc/04/92/80/323049280.db2.gz BERZNJADZXYZSB-UHFFFAOYSA-N 0 0 225.307 3.152 20 70 BGIDRN CN(C)C(=O)c1ccccc1OC1CCCCC1 ZINC000159819395 262713566 /nfs/dbraw/zinc/71/35/66/262713566.db2.gz WKPRKQSNCJIMKR-UHFFFAOYSA-N 0 0 247.338 3.100 20 70 BGIDRN O=C(NCCC1=CCCC1)Nc1ccccc1F ZINC000159825139 182152186 /nfs/dbraw/zinc/15/21/86/182152186.db2.gz GZLOHJZKUDMNCP-UHFFFAOYSA-N 0 0 248.301 3.448 20 70 BGIDRN C[C@@H]1CCN(c2nc(C(C)(C)C)ns2)[C@@H]1C ZINC000159827478 345561158 /nfs/dbraw/zinc/56/11/58/345561158.db2.gz GZTOCMBYUOZXFQ-RKDXNWHRSA-N 0 0 239.388 3.070 20 70 BGIDRN C[C@@H]1[C@@H](C)CCN1c1nc(C(C)(C)C)ns1 ZINC000159827635 345561410 /nfs/dbraw/zinc/56/14/10/345561410.db2.gz GZTOCMBYUOZXFQ-DTWKUNHWSA-N 0 0 239.388 3.070 20 70 BGIDRN CCCCCOc1ccc(OC)c(OC)c1 ZINC000159832143 323050372 /nfs/dbraw/zinc/05/03/72/323050372.db2.gz UPSOIZBWVCOYFD-UHFFFAOYSA-N 0 0 224.300 3.273 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)NCCc1ccccc1C ZINC000159838456 323050438 /nfs/dbraw/zinc/05/04/38/323050438.db2.gz QSXVUUDWVAYMHH-GDBMZVCRSA-N 0 0 245.366 3.090 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)NCCc1ccccc1C ZINC000159838566 323050368 /nfs/dbraw/zinc/05/03/68/323050368.db2.gz QSXVUUDWVAYMHH-ZBFHGGJFSA-N 0 0 245.366 3.090 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)NCCc1ccccc1C ZINC000159838622 323050423 /nfs/dbraw/zinc/05/04/23/323050423.db2.gz QSXVUUDWVAYMHH-GOEBONIOSA-N 0 0 245.366 3.090 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)NCCc1ccccc1C ZINC000159838753 323050329 /nfs/dbraw/zinc/05/03/29/323050329.db2.gz QSXVUUDWVAYMHH-HOCLYGCPSA-N 0 0 245.366 3.090 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)NCc1ccccc1C ZINC000159841221 323050429 /nfs/dbraw/zinc/05/04/29/323050429.db2.gz VXXZPJGOVKEDKU-UKRRQHHQSA-N 0 0 231.339 3.047 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)NCc1ccccc1C ZINC000159841340 323050454 /nfs/dbraw/zinc/05/04/54/323050454.db2.gz VXXZPJGOVKEDKU-HIFRSBDPSA-N 0 0 231.339 3.047 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)NCc1ccccc1C ZINC000159841466 323050373 /nfs/dbraw/zinc/05/03/73/323050373.db2.gz VXXZPJGOVKEDKU-DZGCQCFKSA-N 0 0 231.339 3.047 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)NCc1ccccc1C ZINC000159841586 323050450 /nfs/dbraw/zinc/05/04/50/323050450.db2.gz VXXZPJGOVKEDKU-ZFWWWQNUSA-N 0 0 231.339 3.047 20 70 BGIDRN CCC[C@@H](C)CC(=O)NCC1(C2CC2)CC1 ZINC000159851401 323050723 /nfs/dbraw/zinc/05/07/23/323050723.db2.gz KWDAPPSRDZZDOF-LLVKDONJSA-N 0 0 223.360 3.119 20 70 BGIDRN CCC[C@H](C)CC(=O)NCC1(C2CC2)CC1 ZINC000159851519 323050719 /nfs/dbraw/zinc/05/07/19/323050719.db2.gz KWDAPPSRDZZDOF-NSHDSACASA-N 0 0 223.360 3.119 20 70 BGIDRN CCC(CC)CC(=O)NCC1(C2CC2)CC1 ZINC000159852632 323050786 /nfs/dbraw/zinc/05/07/86/323050786.db2.gz CKOPCTRJTOFWAT-UHFFFAOYSA-N 0 0 223.360 3.119 20 70 BGIDRN CCc1oc(C(=O)NCC2(C3CC3)CC2)cc1C ZINC000159852800 323050839 /nfs/dbraw/zinc/05/08/39/323050839.db2.gz MQAIUVQKDYPTCC-UHFFFAOYSA-N 0 0 247.338 3.070 20 70 BGIDRN Cc1cc(C(=O)N(C)c2cccc(C)c2)oc1C ZINC000159854585 323050779 /nfs/dbraw/zinc/05/07/79/323050779.db2.gz JFEHAMXAVGZRIF-UHFFFAOYSA-N 0 0 243.306 3.481 20 70 BGIDRN CCCC(=O)O[C@@H](c1ccccn1)C(F)(F)F ZINC000159855071 384364743 /nfs/dbraw/zinc/36/47/43/384364743.db2.gz YYVJPWCLROOREO-JTQLQIEISA-N 0 0 247.216 3.028 20 70 BGIDRN CCCC(=O)O[C@H](c1ccccn1)C(F)(F)F ZINC000159855183 384364858 /nfs/dbraw/zinc/36/48/58/384364858.db2.gz YYVJPWCLROOREO-SNVBAGLBSA-N 0 0 247.216 3.028 20 70 BGIDRN CC[C@@H](C)OCC(=O)N(C)c1ccc(C)cc1C ZINC000159855275 384365445 /nfs/dbraw/zinc/36/54/45/384365445.db2.gz GQCGQIHPMWLGJY-CYBMUJFWSA-N 0 0 249.354 3.081 20 70 BGIDRN CC[C@H](C)OCC(=O)N(C)c1ccc(C)cc1C ZINC000159855371 171352289 /nfs/dbraw/zinc/35/22/89/171352289.db2.gz GQCGQIHPMWLGJY-ZDUSSCGKSA-N 0 0 249.354 3.081 20 70 BGIDRN O=C(N[C@@H]1CCCc2sccc21)C1CCCC1 ZINC000159855523 182301388 /nfs/dbraw/zinc/30/13/88/182301388.db2.gz VIUYTYGJDBPJKP-GFCCVEGCSA-N 0 0 249.379 3.432 20 70 BGIDRN O=C(N[C@H]1CCCc2sccc21)C1CCCC1 ZINC000159855626 182334264 /nfs/dbraw/zinc/33/42/64/182334264.db2.gz VIUYTYGJDBPJKP-LBPRGKRZSA-N 0 0 249.379 3.432 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)N(C)c1ccccc1 ZINC000159856129 323050816 /nfs/dbraw/zinc/05/08/16/323050816.db2.gz GPJQDNPTNBJOOD-TZMCWYRMSA-N 0 0 217.312 3.086 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)N(C)c1ccccc1 ZINC000159856258 323050810 /nfs/dbraw/zinc/05/08/10/323050810.db2.gz GPJQDNPTNBJOOD-OCCSQVGLSA-N 0 0 217.312 3.086 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)N(C)c1ccccc1 ZINC000159856382 323050853 /nfs/dbraw/zinc/05/08/53/323050853.db2.gz GPJQDNPTNBJOOD-GXTWGEPZSA-N 0 0 217.312 3.086 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)N(C)c1ccccc1 ZINC000159856514 323050837 /nfs/dbraw/zinc/05/08/37/323050837.db2.gz GPJQDNPTNBJOOD-JSGCOSHPSA-N 0 0 217.312 3.086 20 70 BGIDRN CCCCCOc1ccccc1-c1nc[nH]n1 ZINC000159856740 384364528 /nfs/dbraw/zinc/36/45/28/384364528.db2.gz DZBCGYOPZVBCRJ-UHFFFAOYSA-N 0 0 231.299 3.041 20 70 BGIDRN CCN(C(=O)[C@H]1C[C@@]1(C)CC)c1ccccc1 ZINC000159857382 323050871 /nfs/dbraw/zinc/05/08/71/323050871.db2.gz DEHARMIRDYRJOP-UKRRQHHQSA-N 0 0 231.339 3.476 20 70 BGIDRN CCN(C(=O)[C@H]1C[C@]1(C)CC)c1ccccc1 ZINC000159857502 323050773 /nfs/dbraw/zinc/05/07/73/323050773.db2.gz DEHARMIRDYRJOP-HIFRSBDPSA-N 0 0 231.339 3.476 20 70 BGIDRN CCN(C(=O)[C@@H]1C[C@@]1(C)CC)c1ccccc1 ZINC000159857641 323050777 /nfs/dbraw/zinc/05/07/77/323050777.db2.gz DEHARMIRDYRJOP-DZGCQCFKSA-N 0 0 231.339 3.476 20 70 BGIDRN CCN(C(=O)[C@@H]1C[C@]1(C)CC)c1ccccc1 ZINC000159857783 323050836 /nfs/dbraw/zinc/05/08/36/323050836.db2.gz DEHARMIRDYRJOP-ZFWWWQNUSA-N 0 0 231.339 3.476 20 70 BGIDRN CC(C)=CC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159860044 345572222 /nfs/dbraw/zinc/57/22/22/345572222.db2.gz MDYBIBIAMMVUKF-OAHLLOKOSA-N 0 0 230.355 3.493 20 70 BGIDRN CC(C)=CC(=O)N[C@@H]1CCCc2sccc21 ZINC000159862931 388035574 /nfs/dbraw/zinc/03/55/74/388035574.db2.gz DLFRYDOZYBZAMQ-LLVKDONJSA-N 0 0 235.352 3.208 20 70 BGIDRN CC(C)=CC(=O)N[C@H]1CCCc2sccc21 ZINC000159863050 384367411 /nfs/dbraw/zinc/36/74/11/384367411.db2.gz DLFRYDOZYBZAMQ-NSHDSACASA-N 0 0 235.352 3.208 20 70 BGIDRN CCCCCn1nc(C2CC2)nc1C1CC1 ZINC000159868238 323050885 /nfs/dbraw/zinc/05/08/85/323050885.db2.gz IEEVVOLPEYHDBW-UHFFFAOYSA-N 0 0 219.332 3.223 20 70 BGIDRN C[C@@H](CC(=O)NCC1(C2CC2)CC1)C(C)(C)C ZINC000159872399 323051493 /nfs/dbraw/zinc/05/14/93/323051493.db2.gz GJDTWWQJXYYHJA-NSHDSACASA-N 0 0 237.387 3.365 20 70 BGIDRN C[C@H](CC(=O)NCC1(C2CC2)CC1)C(C)(C)C ZINC000159872536 323051523 /nfs/dbraw/zinc/05/15/23/323051523.db2.gz GJDTWWQJXYYHJA-LLVKDONJSA-N 0 0 237.387 3.365 20 70 BGIDRN c1ccc2[nH]c(CSc3ccncc3)nc2c1 ZINC000159875839 323051585 /nfs/dbraw/zinc/05/15/85/323051585.db2.gz FEUGXLIHNOSCIO-UHFFFAOYSA-N 0 0 241.319 3.250 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000159879417 323051845 /nfs/dbraw/zinc/05/18/45/323051845.db2.gz UAPGOJZRSIPYBB-BXKDBHETSA-N 0 0 238.718 3.110 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000159879554 323051728 /nfs/dbraw/zinc/05/17/28/323051728.db2.gz UAPGOJZRSIPYBB-SKDRFNHKSA-N 0 0 238.718 3.110 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000159879680 323051726 /nfs/dbraw/zinc/05/17/26/323051726.db2.gz UAPGOJZRSIPYBB-JOYOIKCWSA-N 0 0 238.718 3.110 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(Cl)cn1 ZINC000159879827 323051763 /nfs/dbraw/zinc/05/17/63/323051763.db2.gz UAPGOJZRSIPYBB-CABZTGNLSA-N 0 0 238.718 3.110 20 70 BGIDRN CCCCCn1ccnc1[C@@H](C)OCC ZINC000159880299 323051861 /nfs/dbraw/zinc/05/18/61/323051861.db2.gz JYCMLGOTSWTVBS-LLVKDONJSA-N 0 0 210.321 3.171 20 70 BGIDRN CCCCCn1ccnc1[C@H](C)OCC ZINC000159880422 323051853 /nfs/dbraw/zinc/05/18/53/323051853.db2.gz JYCMLGOTSWTVBS-NSHDSACASA-N 0 0 210.321 3.171 20 70 BGIDRN CC(C)CCC(=O)CSc1ccncc1 ZINC000159892174 323052497 /nfs/dbraw/zinc/05/24/97/323052497.db2.gz DHJZKNOIPAEFJC-UHFFFAOYSA-N 0 0 223.341 3.179 20 70 BGIDRN O=C(CC1CC1)N[C@@H]1CCCc2sccc21 ZINC000159893583 384367981 /nfs/dbraw/zinc/36/79/81/384367981.db2.gz PBYHOKZYKNJLOT-LLVKDONJSA-N 0 0 235.352 3.042 20 70 BGIDRN O=C(CC1CC1)N[C@H]1CCCc2sccc21 ZINC000159893712 384367509 /nfs/dbraw/zinc/36/75/09/384367509.db2.gz PBYHOKZYKNJLOT-NSHDSACASA-N 0 0 235.352 3.042 20 70 BGIDRN OCCCSCc1cccc(F)c1Cl ZINC000159903010 361294092 /nfs/dbraw/zinc/29/40/92/361294092.db2.gz JLDXQMMMMLLDPY-UHFFFAOYSA-N 0 0 234.723 3.095 20 70 BGIDRN CCc1cccc(CC(=O)N(CC)C(C)C)c1 ZINC000159905923 323053113 /nfs/dbraw/zinc/05/31/13/323053113.db2.gz FLMBBVSWYVKHPF-UHFFFAOYSA-N 0 0 233.355 3.048 20 70 BGIDRN COc1cc(NCc2occc2C)ccc1F ZINC000159907653 345638786 /nfs/dbraw/zinc/63/87/86/345638786.db2.gz SNIPDKQFOYUQRQ-UHFFFAOYSA-N 0 0 235.258 3.348 20 70 BGIDRN Cc1nc(NC(=O)CC(C)(C)C)cc(C2CC2)n1 ZINC000159907859 134793699 /nfs/dbraw/zinc/79/36/99/134793699.db2.gz YTYIIRWSUMCRLL-UHFFFAOYSA-N 0 0 247.342 3.037 20 70 BGIDRN CC(=O)c1cc(F)ccc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000159909167 538880369 /nfs/dbraw/zinc/88/03/69/538880369.db2.gz RTECMPKAPCFPKZ-TXEJJXNPSA-N 0 0 247.313 3.265 20 70 BGIDRN CC(=O)c1cc(F)ccc1N1C[C@H]2CCC[C@@H]2C1 ZINC000159909309 538880357 /nfs/dbraw/zinc/88/03/57/538880357.db2.gz RTECMPKAPCFPKZ-VXGBXAGGSA-N 0 0 247.313 3.265 20 70 BGIDRN CC(=O)c1cc(F)ccc1N1C[C@@H]2CCC[C@H]2C1 ZINC000159909458 538880360 /nfs/dbraw/zinc/88/03/60/538880360.db2.gz RTECMPKAPCFPKZ-RYUDHWBXSA-N 0 0 247.313 3.265 20 70 BGIDRN COc1ccc(CCSc2ccncc2)cc1 ZINC000159909827 323053202 /nfs/dbraw/zinc/05/32/02/323053202.db2.gz OIZQJNGFQBPKHB-UHFFFAOYSA-N 0 0 245.347 3.425 20 70 BGIDRN CCC[C@@H](C)C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000159910793 535321142 /nfs/dbraw/zinc/32/11/42/535321142.db2.gz FYWOQYNNCYSWDZ-SECBINFHSA-N 0 0 247.342 3.037 20 70 BGIDRN CCC[C@H](C)C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000159910912 535597922 /nfs/dbraw/zinc/59/79/22/535597922.db2.gz FYWOQYNNCYSWDZ-VIFPVBQESA-N 0 0 247.342 3.037 20 70 BGIDRN CC[C@@H](C)OCC(=O)N(C)c1cc(C)ccc1C ZINC000159912929 384369148 /nfs/dbraw/zinc/36/91/48/384369148.db2.gz DMXFCKVYBVKWKC-CYBMUJFWSA-N 0 0 249.354 3.081 20 70 BGIDRN CC[C@H](C)OCC(=O)N(C)c1cc(C)ccc1C ZINC000159913069 171352397 /nfs/dbraw/zinc/35/23/97/171352397.db2.gz DMXFCKVYBVKWKC-ZDUSSCGKSA-N 0 0 249.354 3.081 20 70 BGIDRN Cc1csc(CSc2ccncc2)n1 ZINC000159913803 323075300 /nfs/dbraw/zinc/07/53/00/323075300.db2.gz HOYANSIQTIJUNL-UHFFFAOYSA-N 0 0 222.338 3.139 20 70 BGIDRN CN(CCSc1ccncc1)c1ccccc1 ZINC000159915584 323053849 /nfs/dbraw/zinc/05/38/49/323053849.db2.gz HSIQHECCVAIRAT-UHFFFAOYSA-N 0 0 244.363 3.310 20 70 BGIDRN Cc1cccc(N(C)C(=O)[C@@H]2CC2(C)C)c1C ZINC000159915890 323053997 /nfs/dbraw/zinc/05/39/97/323053997.db2.gz COJXMDIVDYRYOW-LBPRGKRZSA-N 0 0 231.339 3.312 20 70 BGIDRN CCc1noc(C)c1CSc1ccncc1 ZINC000159916010 172080386 /nfs/dbraw/zinc/08/03/86/172080386.db2.gz YKYPUFNNEDNGIJ-UHFFFAOYSA-N 0 0 234.324 3.233 20 70 BGIDRN Cc1cc(C)cc(N(C)C(=O)[C@@H]2CC2(C)C)c1 ZINC000159916475 323053986 /nfs/dbraw/zinc/05/39/86/323053986.db2.gz HROKAYMPEGRXLI-ZDUSSCGKSA-N 0 0 231.339 3.312 20 70 BGIDRN CCCCN(CCSCC)CC(F)(F)F ZINC000159920833 323054002 /nfs/dbraw/zinc/05/40/02/323054002.db2.gz KMWKKVVAOAXUCG-UHFFFAOYSA-N 0 0 243.338 3.404 20 70 BGIDRN Cc1cc(C)c(C(=O)Nc2ccc(C)cc2F)[nH]1 ZINC000159920895 323053969 /nfs/dbraw/zinc/05/39/69/323053969.db2.gz PLBBGTVRKHLUDD-UHFFFAOYSA-N 0 0 246.285 3.331 20 70 BGIDRN CCCCN(CCCOCC)CC(F)(F)F ZINC000159922024 134795438 /nfs/dbraw/zinc/79/54/38/134795438.db2.gz XWCDRZANDHUJQL-UHFFFAOYSA-N 0 0 241.297 3.077 20 70 BGIDRN Cc1cc(NC(=O)CCC(C)(C)C)ccn1 ZINC000159923631 178126959 /nfs/dbraw/zinc/12/69/59/178126959.db2.gz MDCMMFHDCLSZHQ-UHFFFAOYSA-N 0 0 220.316 3.155 20 70 BGIDRN CC1(C)CCC(C(=O)Nc2ccncc2)CC1 ZINC000159924585 323054074 /nfs/dbraw/zinc/05/40/74/323054074.db2.gz XMMRGJWONMIJHV-UHFFFAOYSA-N 0 0 232.327 3.237 20 70 BGIDRN Cc1cc(NC(=O)[C@@H](C)c2cccs2)ccn1 ZINC000159925933 351036940 /nfs/dbraw/zinc/03/69/40/351036940.db2.gz MKTKKNYCKCYXJH-JTQLQIEISA-N 0 0 246.335 3.194 20 70 BGIDRN Cc1cc(NC(=O)[C@H](C)c2cccs2)ccn1 ZINC000159926069 351037139 /nfs/dbraw/zinc/03/71/39/351037139.db2.gz MKTKKNYCKCYXJH-SNVBAGLBSA-N 0 0 246.335 3.194 20 70 BGIDRN Cc1cc(NC(=O)[C@@H](C)c2ccsc2)ccn1 ZINC000159926377 351037164 /nfs/dbraw/zinc/03/71/64/351037164.db2.gz QEFASUHKCGTUQP-JTQLQIEISA-N 0 0 246.335 3.194 20 70 BGIDRN Cc1cc(NC(=O)[C@H](C)c2ccsc2)ccn1 ZINC000159926516 351036973 /nfs/dbraw/zinc/03/69/73/351036973.db2.gz QEFASUHKCGTUQP-SNVBAGLBSA-N 0 0 246.335 3.194 20 70 BGIDRN CC[C@@H]1CCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159926971 345664031 /nfs/dbraw/zinc/66/40/31/345664031.db2.gz BZGNVKMZHWPKFZ-SECBINFHSA-N 0 0 239.388 3.072 20 70 BGIDRN CC[C@H]1CCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159927107 345664425 /nfs/dbraw/zinc/66/44/25/345664425.db2.gz BZGNVKMZHWPKFZ-VIFPVBQESA-N 0 0 239.388 3.072 20 70 BGIDRN Cc1ccc(C)c(C(=O)NCC2(C3CC3)CC2)c1 ZINC000159931445 178465667 /nfs/dbraw/zinc/46/56/67/178465667.db2.gz ONOXXLIHLVAAAT-UHFFFAOYSA-N 0 0 243.350 3.223 20 70 BGIDRN C[C@H](Sc1ccncc1)C(F)(F)F ZINC000159934518 177030202 /nfs/dbraw/zinc/03/02/02/177030202.db2.gz ZJAAMYMKZSJGGW-LURJTMIESA-N 0 0 207.220 3.125 20 70 BGIDRN C[C@@H](Sc1ccncc1)C(F)(F)F ZINC000159934641 176010360 /nfs/dbraw/zinc/01/03/60/176010360.db2.gz ZJAAMYMKZSJGGW-ZCFIWIBFSA-N 0 0 207.220 3.125 20 70 BGIDRN Cc1cc(F)ccc1C(=O)NCC1(C2CC2)CC1 ZINC000159936336 178081919 /nfs/dbraw/zinc/08/19/19/178081919.db2.gz FWDJZQKIQNZQES-UHFFFAOYSA-N 0 0 247.313 3.054 20 70 BGIDRN O=C(NCC1(C2CC2)CC1)c1ccc(Cl)cc1 ZINC000159942128 323054696 /nfs/dbraw/zinc/05/46/96/323054696.db2.gz VGQJPCBWLRNYST-UHFFFAOYSA-N 0 0 249.741 3.260 20 70 BGIDRN O=C(N[C@@H]1CCCc2sccc21)C1CC=CC1 ZINC000159942920 182302747 /nfs/dbraw/zinc/30/27/47/182302747.db2.gz UIDCCRITQJZTEQ-GFCCVEGCSA-N 0 0 247.363 3.208 20 70 BGIDRN O=C(N[C@H]1CCCc2sccc21)C1CC=CC1 ZINC000159943058 182334045 /nfs/dbraw/zinc/33/40/45/182334045.db2.gz UIDCCRITQJZTEQ-LBPRGKRZSA-N 0 0 247.363 3.208 20 70 BGIDRN COc1cc(NC(C2CC2)C2CC2)ccc1F ZINC000159944638 323054390 /nfs/dbraw/zinc/05/43/90/323054390.db2.gz AVKYTHCFWQTNRP-UHFFFAOYSA-N 0 0 235.302 3.435 20 70 BGIDRN CC[C@@H](C)N(C)c1nc(C(C)(C)C)ns1 ZINC000159944984 134795526 /nfs/dbraw/zinc/79/55/26/134795526.db2.gz BKSDCZZTJZWRRN-MRVPVSSYSA-N 0 0 227.377 3.070 20 70 BGIDRN CC[C@H](C)N(C)c1nc(C(C)(C)C)ns1 ZINC000159945121 134795219 /nfs/dbraw/zinc/79/52/19/134795219.db2.gz BKSDCZZTJZWRRN-QMMMGPOBSA-N 0 0 227.377 3.070 20 70 BGIDRN CC(C)(C)c1nsc(N[C@H]2C=CCCC2)n1 ZINC000159949598 361296236 /nfs/dbraw/zinc/29/62/36/361296236.db2.gz DHCQNUBOUPDKFF-VIFPVBQESA-N 0 0 237.372 3.356 20 70 BGIDRN CC(C)(C)c1nsc(N[C@@H]2C=CCCC2)n1 ZINC000159949747 361295323 /nfs/dbraw/zinc/29/53/23/361295323.db2.gz DHCQNUBOUPDKFF-SECBINFHSA-N 0 0 237.372 3.356 20 70 BGIDRN CCCCN(C)c1ccncc1Br ZINC000159950198 361296206 /nfs/dbraw/zinc/29/62/06/361296206.db2.gz VEUCZXMEDILOKB-UHFFFAOYSA-N 0 0 243.148 3.080 20 70 BGIDRN C[C@@H]1CC[C@H](C)N1c1nc(C(C)(C)C)ns1 ZINC000159951328 134795376 /nfs/dbraw/zinc/79/53/76/134795376.db2.gz FSHIKGKUDPTLKA-DTORHVGOSA-N 0 0 239.388 3.213 20 70 BGIDRN C[C@H]1CC[C@H](C)N1c1nc(C(C)(C)C)ns1 ZINC000159951476 345711563 /nfs/dbraw/zinc/71/15/63/345711563.db2.gz FSHIKGKUDPTLKA-IUCAKERBSA-N 0 0 239.388 3.213 20 70 BGIDRN C[C@@H]1CC[C@@H](C)N1c1nc(C(C)(C)C)ns1 ZINC000159951616 345712024 /nfs/dbraw/zinc/71/20/24/345712024.db2.gz FSHIKGKUDPTLKA-RKDXNWHRSA-N 0 0 239.388 3.213 20 70 BGIDRN CCCN(CC)c1ccncc1Br ZINC000159951883 388038770 /nfs/dbraw/zinc/03/87/70/388038770.db2.gz VDWSHEXKSCVHOQ-UHFFFAOYSA-N 0 0 243.148 3.080 20 70 BGIDRN CCCCC(=O)N[C@@H]1CCCc2sccc21 ZINC000159954404 384371272 /nfs/dbraw/zinc/37/12/72/384371272.db2.gz DIYXVPBQHCAXNR-LLVKDONJSA-N 0 0 237.368 3.432 20 70 BGIDRN CCCCC(=O)N[C@H]1CCCc2sccc21 ZINC000159954530 384371822 /nfs/dbraw/zinc/37/18/22/384371822.db2.gz DIYXVPBQHCAXNR-NSHDSACASA-N 0 0 237.368 3.432 20 70 BGIDRN CCc1ccc(/C=C/C(=O)N(C)CC2CCC2)o1 ZINC000159955426 323055448 /nfs/dbraw/zinc/05/54/48/323055448.db2.gz RZJGKLRLBWFEIZ-MDZDMXLPSA-N 0 0 247.338 3.114 20 70 BGIDRN Cc1n[nH]c(C)c1NC(=O)C1CCC(C)(C)CC1 ZINC000159960126 179827605 /nfs/dbraw/zinc/82/76/05/179827605.db2.gz IRKAVVZWYQWEKT-UHFFFAOYSA-N 0 0 249.358 3.181 20 70 BGIDRN C[C@H](Nc1ncnc2ccccc21)C1CCC1 ZINC000159963344 134795099 /nfs/dbraw/zinc/79/50/99/134795099.db2.gz KPJWZGBCIJYSTD-JTQLQIEISA-N 0 0 227.311 3.230 20 70 BGIDRN C[C@@H](Nc1ncnc2ccccc21)C1CCC1 ZINC000159963472 345756369 /nfs/dbraw/zinc/75/63/69/345756369.db2.gz KPJWZGBCIJYSTD-SNVBAGLBSA-N 0 0 227.311 3.230 20 70 BGIDRN CCCCCC(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000159963732 345758792 /nfs/dbraw/zinc/75/87/92/345758792.db2.gz ACQKBRGLDHMZCQ-UHFFFAOYSA-N 0 0 247.342 3.181 20 70 BGIDRN CC(C)n1cc(OCC2CCCC2)cn1 ZINC000159963980 343202767 /nfs/dbraw/zinc/20/27/67/343202767.db2.gz MBFUJKLACYLRNF-UHFFFAOYSA-N 0 0 208.305 3.033 20 70 BGIDRN CC(C)n1cc(OCc2ccc(F)cc2)cn1 ZINC000159964403 323055992 /nfs/dbraw/zinc/05/59/92/323055992.db2.gz QEQAKOREUUQYLV-UHFFFAOYSA-N 0 0 234.274 3.182 20 70 BGIDRN CSCCCOc1ccc(F)cc1C ZINC000159969161 201698718 /nfs/dbraw/zinc/69/87/18/201698718.db2.gz UMBUNAXQNHSTCG-UHFFFAOYSA-N 0 0 214.305 3.266 20 70 BGIDRN CCCn1nccc1CNc1cc(F)ccc1C ZINC000159969437 488095199 /nfs/dbraw/zinc/09/51/99/488095199.db2.gz ZQZGQUVYGUCVOH-UHFFFAOYSA-N 0 0 247.317 3.353 20 70 BGIDRN CCCn1nccc1CNc1ccccc1CC ZINC000159969728 488094920 /nfs/dbraw/zinc/09/49/20/488094920.db2.gz JBUGPUSULFSHRV-UHFFFAOYSA-N 0 0 243.354 3.468 20 70 BGIDRN CCCn1nccc1CNc1ccc(F)cc1C ZINC000159970312 488095007 /nfs/dbraw/zinc/09/50/07/488095007.db2.gz YNARMOKCQISJDZ-UHFFFAOYSA-N 0 0 247.317 3.353 20 70 BGIDRN CCCn1nccc1CNc1cccc(CC)c1 ZINC000159970582 488094867 /nfs/dbraw/zinc/09/48/67/488094867.db2.gz HTSGCJDKWZTCMG-UHFFFAOYSA-N 0 0 243.354 3.468 20 70 BGIDRN Cc1cc(NC2(C)CCC2)nc(C(C)C)n1 ZINC000159971340 345763084 /nfs/dbraw/zinc/76/30/84/345763084.db2.gz JJGZTXAELDZTEP-UHFFFAOYSA-N 0 0 219.332 3.263 20 70 BGIDRN CC1(Nc2nc3ccccc3o2)CCC1 ZINC000159972818 168065700 /nfs/dbraw/zinc/06/57/00/168065700.db2.gz NTLUYFJFKYTUJY-UHFFFAOYSA-N 0 0 202.257 3.182 20 70 BGIDRN CC1(Nc2ncnc3ccsc32)CCC1 ZINC000159972960 168065865 /nfs/dbraw/zinc/06/58/65/168065865.db2.gz AMVHBSFWDLOJBT-UHFFFAOYSA-N 0 0 219.313 3.046 20 70 BGIDRN CC1=CCN(c2ncc(Cl)cc2F)CC1 ZINC000159975330 388040004 /nfs/dbraw/zinc/04/00/04/388040004.db2.gz AOIJIDVCAZMELF-UHFFFAOYSA-N 0 0 226.682 3.031 20 70 BGIDRN CC(=O)c1c(F)cccc1N1CC=C(C)CC1 ZINC000159975620 384376495 /nfs/dbraw/zinc/37/64/95/384376495.db2.gz QLBVWJXRVCZTNV-UHFFFAOYSA-N 0 0 233.286 3.185 20 70 BGIDRN CC1(Nc2ncnc3sccc32)CCC1 ZINC000159975923 134796926 /nfs/dbraw/zinc/79/69/26/134796926.db2.gz SKYPBEDHKJLYQG-UHFFFAOYSA-N 0 0 219.313 3.046 20 70 BGIDRN COc1cc(NCc2ccc(C)nc2)ccc1F ZINC000159976841 538109646 /nfs/dbraw/zinc/10/96/46/538109646.db2.gz KFBQSGQBXZFHNI-UHFFFAOYSA-N 0 0 246.285 3.150 20 70 BGIDRN COc1cc(N[C@@H](C)c2ccncc2)ccc1F ZINC000159981067 345769184 /nfs/dbraw/zinc/76/91/84/345769184.db2.gz SILDQMLZJYVWLK-JTQLQIEISA-N 0 0 246.285 3.402 20 70 BGIDRN COc1cc(N[C@H](C)c2ccncc2)ccc1F ZINC000159981172 345769231 /nfs/dbraw/zinc/76/92/31/345769231.db2.gz SILDQMLZJYVWLK-SNVBAGLBSA-N 0 0 246.285 3.402 20 70 BGIDRN COc1cc(N[C@@H](C)c2cccnc2)ccc1F ZINC000159981453 345770193 /nfs/dbraw/zinc/77/01/93/345770193.db2.gz ORPJYDHDZYUFCO-JTQLQIEISA-N 0 0 246.285 3.402 20 70 BGIDRN COc1cc(N[C@H](C)c2cccnc2)ccc1F ZINC000159981584 345770162 /nfs/dbraw/zinc/77/01/62/345770162.db2.gz ORPJYDHDZYUFCO-SNVBAGLBSA-N 0 0 246.285 3.402 20 70 BGIDRN C[C@H](Nc1cnc2ccccc2n1)C1CCC1 ZINC000159981705 538880944 /nfs/dbraw/zinc/88/09/44/538880944.db2.gz IXLROOSNBBETKA-JTQLQIEISA-N 0 0 227.311 3.230 20 70 BGIDRN C[C@@H](Nc1cnc2ccccc2n1)C1CCC1 ZINC000159981823 538111517 /nfs/dbraw/zinc/11/15/17/538111517.db2.gz IXLROOSNBBETKA-SNVBAGLBSA-N 0 0 227.311 3.230 20 70 BGIDRN Cc1nc2cc(NC(=O)C3=CCCC3)ccc2o1 ZINC000159981863 323057013 /nfs/dbraw/zinc/05/70/13/323057013.db2.gz STBKXFDDOFNDAX-UHFFFAOYSA-N 0 0 242.278 3.185 20 70 BGIDRN CCCC(=O)N(C)c1ccc(OC)c(Cl)c1 ZINC000159981892 384374343 /nfs/dbraw/zinc/37/43/43/384374343.db2.gz LENQKCYGWOFHFW-UHFFFAOYSA-N 0 0 241.718 3.112 20 70 BGIDRN Cc1cccc([C@@H]2CCCN2CC(F)(F)F)n1 ZINC000159982294 345766868 /nfs/dbraw/zinc/76/68/68/345766868.db2.gz OHBNGYIOIHXSTC-NSHDSACASA-N 0 0 244.260 3.089 20 70 BGIDRN Cc1cccc([C@H]2CCCN2CC(F)(F)F)n1 ZINC000159982423 345766674 /nfs/dbraw/zinc/76/66/74/345766674.db2.gz OHBNGYIOIHXSTC-LLVKDONJSA-N 0 0 244.260 3.089 20 70 BGIDRN C[C@H](Nc1nccc(C(F)(F)F)n1)C1CCC1 ZINC000159982568 345767008 /nfs/dbraw/zinc/76/70/08/345767008.db2.gz YYLIOYZXTBFLIH-ZETCQYMHSA-N 0 0 245.248 3.096 20 70 BGIDRN C[C@@H](Nc1nccc(C(F)(F)F)n1)C1CCC1 ZINC000159982700 345766829 /nfs/dbraw/zinc/76/68/29/345766829.db2.gz YYLIOYZXTBFLIH-SSDOTTSWSA-N 0 0 245.248 3.096 20 70 BGIDRN CC(C)c1cccc(NC(=O)[C@@H]2CCCCO2)c1 ZINC000159989594 384376446 /nfs/dbraw/zinc/37/64/46/384376446.db2.gz FGXQYXUSCLRCAV-AWEZNQCLSA-N 0 0 247.338 3.318 20 70 BGIDRN CC(C)c1cccc(NC(=O)[C@H]2CCCCO2)c1 ZINC000159989723 384375884 /nfs/dbraw/zinc/37/58/84/384375884.db2.gz FGXQYXUSCLRCAV-CQSZACIVSA-N 0 0 247.338 3.318 20 70 BGIDRN Cc1ccc(F)c(C(=O)NCC2(C3CC3)CC2)c1 ZINC000159993239 178669949 /nfs/dbraw/zinc/66/99/49/178669949.db2.gz FAVSCONEGLGZPP-UHFFFAOYSA-N 0 0 247.313 3.054 20 70 BGIDRN CCCn1nccc1CNc1cc(C)ccc1F ZINC000159993476 488098202 /nfs/dbraw/zinc/09/82/02/488098202.db2.gz XKBUWHFQFLJNLL-UHFFFAOYSA-N 0 0 247.317 3.353 20 70 BGIDRN CC(C)(C)CCC(=O)N1CCCC(C)(C)C1 ZINC000159997409 323057251 /nfs/dbraw/zinc/05/72/51/323057251.db2.gz YQXKNJCGCYDMIU-UHFFFAOYSA-N 0 0 225.376 3.461 20 70 BGIDRN CC(C)CCOCCSc1ccncc1 ZINC000159997656 384374750 /nfs/dbraw/zinc/37/47/50/384374750.db2.gz QPXXMLPAEUYTPF-UHFFFAOYSA-N 0 0 225.357 3.236 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)N(C)C1CCC(C)CC1 ZINC000159998853 323057181 /nfs/dbraw/zinc/05/71/81/323057181.db2.gz FCMOCXZSYXPZBY-UJFKTDLFSA-N 0 0 237.387 3.460 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)N(C)C1CCC(C)CC1 ZINC000159998976 323057193 /nfs/dbraw/zinc/05/71/93/323057193.db2.gz FCMOCXZSYXPZBY-SJQFEJMWSA-N 0 0 237.387 3.460 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)N(C)C1CCC(C)CC1 ZINC000159999107 323057221 /nfs/dbraw/zinc/05/72/21/323057221.db2.gz FCMOCXZSYXPZBY-NSOJWWLLSA-N 0 0 237.387 3.460 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)N(C)C1CCC(C)CC1 ZINC000159999243 323057186 /nfs/dbraw/zinc/05/71/86/323057186.db2.gz FCMOCXZSYXPZBY-DVTFPSANSA-N 0 0 237.387 3.460 20 70 BGIDRN O=C(CC1CCCCC1)NCC1(C2CC2)CC1 ZINC000160003538 323057490 /nfs/dbraw/zinc/05/74/90/323057490.db2.gz VNRDLXAOONBCKM-UHFFFAOYSA-N 0 0 235.371 3.263 20 70 BGIDRN CC1(C)C[C@@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000160009015 346438325 /nfs/dbraw/zinc/43/83/25/346438325.db2.gz YABVXOJKMSVBBC-GHMZBOCLSA-N 0 0 249.379 3.288 20 70 BGIDRN CC1(C)C[C@@H]1C(=O)N[C@H]1CCCc2sccc21 ZINC000160009141 346438409 /nfs/dbraw/zinc/43/84/09/346438409.db2.gz YABVXOJKMSVBBC-MNOVXSKESA-N 0 0 249.379 3.288 20 70 BGIDRN CCc1cc(C)c(C(=O)NCC2(C3CC3)CC2)o1 ZINC000160018515 323075347 /nfs/dbraw/zinc/07/53/47/323075347.db2.gz LEYQBGFPFBCUDZ-UHFFFAOYSA-N 0 0 247.338 3.070 20 70 BGIDRN CCSCCN(C)c1ccccc1F ZINC000160019295 323057724 /nfs/dbraw/zinc/05/77/24/323057724.db2.gz VLIUVBIRQHZIAA-UHFFFAOYSA-N 0 0 213.321 3.015 20 70 BGIDRN CCCCCN(C(=O)CO[C@@H](C)CC)C(C)C ZINC000160019387 323057656 /nfs/dbraw/zinc/05/76/56/323057656.db2.gz AMWGSHLMYDMEOC-ZDUSSCGKSA-N 0 0 243.391 3.229 20 70 BGIDRN CCCCCN(C(=O)CO[C@H](C)CC)C(C)C ZINC000160019538 323057712 /nfs/dbraw/zinc/05/77/12/323057712.db2.gz AMWGSHLMYDMEOC-CYBMUJFWSA-N 0 0 243.391 3.229 20 70 BGIDRN CC(C)OCCCN(C)c1ccccc1F ZINC000160020130 134798040 /nfs/dbraw/zinc/79/80/40/134798040.db2.gz ZGWRNIWQIVIREW-UHFFFAOYSA-N 0 0 225.307 3.077 20 70 BGIDRN C[C@H](NC(=O)[C@@H]1CC1(C)C)[C@@H](C)c1ccccc1 ZINC000160025061 323057882 /nfs/dbraw/zinc/05/78/82/323057882.db2.gz CZBCCGIDIGMMMR-DYEKYZERSA-N 0 0 245.366 3.341 20 70 BGIDRN C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@@H]1CC1(C)C ZINC000160025193 323057977 /nfs/dbraw/zinc/05/79/77/323057977.db2.gz CZBCCGIDIGMMMR-OBJOEFQTSA-N 0 0 245.366 3.341 20 70 BGIDRN CSCCCOc1ccc2[nH]ccc2c1 ZINC000160026320 388043428 /nfs/dbraw/zinc/04/34/28/388043428.db2.gz MKVSQDDBJXCDBR-UHFFFAOYSA-N 0 0 221.325 3.300 20 70 BGIDRN C[C@H](Nc1ncnc2sccc21)C1CCC1 ZINC000160027636 387040173 /nfs/dbraw/zinc/04/01/73/387040173.db2.gz LLTBKZPKCWDCPE-QMMMGPOBSA-N 0 0 233.340 3.292 20 70 BGIDRN C[C@@H](Nc1ncnc2sccc21)C1CCC1 ZINC000160027781 387041133 /nfs/dbraw/zinc/04/11/33/387041133.db2.gz LLTBKZPKCWDCPE-MRVPVSSYSA-N 0 0 233.340 3.292 20 70 BGIDRN CC(C)C[C@@H](C)CC(=O)NCC1(C2CC2)CC1 ZINC000160034077 323058257 /nfs/dbraw/zinc/05/82/57/323058257.db2.gz VBXMAYKBPKFQHJ-GFCCVEGCSA-N 0 0 237.387 3.365 20 70 BGIDRN CC(C)C[C@H](C)CC(=O)NCC1(C2CC2)CC1 ZINC000160034207 323058233 /nfs/dbraw/zinc/05/82/33/323058233.db2.gz VBXMAYKBPKFQHJ-LBPRGKRZSA-N 0 0 237.387 3.365 20 70 BGIDRN CC(C)OC(=O)O[C@@H](C)Sc1ccncc1 ZINC000160037711 167164958 /nfs/dbraw/zinc/16/49/58/167164958.db2.gz VFGBILIFECXKKQ-SECBINFHSA-N 0 0 241.312 3.081 20 70 BGIDRN CC(C)OC(=O)O[C@H](C)Sc1ccncc1 ZINC000160037833 167165572 /nfs/dbraw/zinc/16/55/72/167165572.db2.gz VFGBILIFECXKKQ-VIFPVBQESA-N 0 0 241.312 3.081 20 70 BGIDRN CC1(C)CCC[C@H](CC(=O)NCCCF)C1 ZINC000160041823 323058668 /nfs/dbraw/zinc/05/86/68/323058668.db2.gz ODDIVRUGSSDVEQ-LLVKDONJSA-N 0 0 229.339 3.069 20 70 BGIDRN CC1(C)CCC[C@@H](CC(=O)NCCCF)C1 ZINC000160041951 323058628 /nfs/dbraw/zinc/05/86/28/323058628.db2.gz ODDIVRUGSSDVEQ-NSHDSACASA-N 0 0 229.339 3.069 20 70 BGIDRN O=C(NCCCF)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000160042094 323058674 /nfs/dbraw/zinc/05/86/74/323058674.db2.gz JIFJKQDFZSRIEP-YNEHKIRRSA-N 0 0 241.350 3.069 20 70 BGIDRN O=C(NCCCF)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000160042199 323058639 /nfs/dbraw/zinc/05/86/39/323058639.db2.gz JIFJKQDFZSRIEP-RWMBFGLXSA-N 0 0 241.350 3.069 20 70 BGIDRN CN(CCC1CC1)c1nc(C(C)(C)C)ns1 ZINC000160046328 387041441 /nfs/dbraw/zinc/04/14/41/387041441.db2.gz TUPXHOYGNMJIRH-UHFFFAOYSA-N 0 0 239.388 3.072 20 70 BGIDRN O=C(Nc1ccccc1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000160050758 182375756 /nfs/dbraw/zinc/37/57/56/182375756.db2.gz ROUHKPJPSBXFPD-JSGCOSHPSA-N 0 0 244.338 3.483 20 70 BGIDRN Cc1ccc(C(=O)NCC2(C3CC3)CC2)cc1F ZINC000160051680 323059084 /nfs/dbraw/zinc/05/90/84/323059084.db2.gz IWMHSBLCSJTTPV-UHFFFAOYSA-N 0 0 247.313 3.054 20 70 BGIDRN CCN(CC(C)C)C(=O)c1c(C)oc(C)c1C ZINC000160052035 353123478 /nfs/dbraw/zinc/12/34/78/353123478.db2.gz OTMLCKKCYQHZIH-UHFFFAOYSA-N 0 0 237.343 3.323 20 70 BGIDRN COc1cc(N[C@@H](C)c2ccccn2)ccc1F ZINC000160052452 345790979 /nfs/dbraw/zinc/79/09/79/345790979.db2.gz NQUJFXAKXJLJCK-JTQLQIEISA-N 0 0 246.285 3.402 20 70 BGIDRN COc1cc(N[C@H](C)c2ccccn2)ccc1F ZINC000160052597 134798124 /nfs/dbraw/zinc/79/81/24/134798124.db2.gz NQUJFXAKXJLJCK-SNVBAGLBSA-N 0 0 246.285 3.402 20 70 BGIDRN C[C@H](Nc1nc(C2CC2)ns1)C1CCC1 ZINC000160055230 388044337 /nfs/dbraw/zinc/04/43/37/388044337.db2.gz MCVKXABYEXILHU-ZETCQYMHSA-N 0 0 223.345 3.016 20 70 BGIDRN C[C@@H](Nc1nc(C2CC2)ns1)C1CCC1 ZINC000160055350 388044454 /nfs/dbraw/zinc/04/44/54/388044454.db2.gz MCVKXABYEXILHU-SSDOTTSWSA-N 0 0 223.345 3.016 20 70 BGIDRN CC(C)c1cc(N[C@@H](C)C2CCC2)ncn1 ZINC000160055751 538111521 /nfs/dbraw/zinc/11/15/21/538111521.db2.gz OYAXKOWPPFSOLN-JTQLQIEISA-N 0 0 219.332 3.201 20 70 BGIDRN CC(C)c1cc(N[C@H](C)C2CCC2)ncn1 ZINC000160055886 538881373 /nfs/dbraw/zinc/88/13/73/538881373.db2.gz OYAXKOWPPFSOLN-SNVBAGLBSA-N 0 0 219.332 3.201 20 70 BGIDRN C[C@H](Nc1nc2ccccc2o1)C1CCC1 ZINC000160061257 176938834 /nfs/dbraw/zinc/93/88/34/176938834.db2.gz BDDKZBXFTQAMPO-VIFPVBQESA-N 0 0 216.284 3.428 20 70 BGIDRN C[C@@H](Nc1nc2ccccc2o1)C1CCC1 ZINC000160061390 387040510 /nfs/dbraw/zinc/04/05/10/387040510.db2.gz BDDKZBXFTQAMPO-SECBINFHSA-N 0 0 216.284 3.428 20 70 BGIDRN CC[C@@H](C)OCC(=O)Nc1c(C)cc(C)cc1C ZINC000160062680 170764923 /nfs/dbraw/zinc/76/49/23/170764923.db2.gz PCBQBXLMJXHLHK-CYBMUJFWSA-N 0 0 249.354 3.365 20 70 BGIDRN CC[C@H](C)OCC(=O)Nc1c(C)cc(C)cc1C ZINC000160062810 171354821 /nfs/dbraw/zinc/35/48/21/171354821.db2.gz PCBQBXLMJXHLHK-ZDUSSCGKSA-N 0 0 249.354 3.365 20 70 BGIDRN COCCCCCOc1ccc2[nH]ccc2c1 ZINC000160065417 323059371 /nfs/dbraw/zinc/05/93/71/323059371.db2.gz RRXLSACSJHUDMV-UHFFFAOYSA-N 0 0 233.311 3.363 20 70 BGIDRN CCc1csc(N[C@@H](C)C2CCC2)n1 ZINC000160065613 353127317 /nfs/dbraw/zinc/12/73/17/353127317.db2.gz PWUBOVDUBNKVMZ-QMMMGPOBSA-N 0 0 210.346 3.306 20 70 BGIDRN CCc1csc(N[C@H](C)C2CCC2)n1 ZINC000160065752 541495947 /nfs/dbraw/zinc/49/59/47/541495947.db2.gz PWUBOVDUBNKVMZ-MRVPVSSYSA-N 0 0 210.346 3.306 20 70 BGIDRN CCc1cccc(C)c1NC(=O)CO[C@@H](C)CC ZINC000160066433 384380394 /nfs/dbraw/zinc/38/03/94/384380394.db2.gz HIBKWMWQZAOTJD-LBPRGKRZSA-N 0 0 249.354 3.311 20 70 BGIDRN CC(C)c1nsc(N[C@@H](C)C2CCC2)n1 ZINC000160066480 384600434 /nfs/dbraw/zinc/60/04/34/384600434.db2.gz QJIKHKYYXYLHAH-QMMMGPOBSA-N 0 0 225.361 3.262 20 70 BGIDRN CCc1cccc(C)c1NC(=O)CO[C@H](C)CC ZINC000160066566 188335155 /nfs/dbraw/zinc/33/51/55/188335155.db2.gz HIBKWMWQZAOTJD-GFCCVEGCSA-N 0 0 249.354 3.311 20 70 BGIDRN CC(C)c1nsc(N[C@H](C)C2CCC2)n1 ZINC000160066588 388044992 /nfs/dbraw/zinc/04/49/92/388044992.db2.gz QJIKHKYYXYLHAH-MRVPVSSYSA-N 0 0 225.361 3.262 20 70 BGIDRN C[C@H](Nc1ncnc2ccsc21)C1CCC1 ZINC000160067553 541495927 /nfs/dbraw/zinc/49/59/27/541495927.db2.gz WPTZMHJJJQDPCV-QMMMGPOBSA-N 0 0 233.340 3.292 20 70 BGIDRN C[C@@H](Nc1ncnc2ccsc21)C1CCC1 ZINC000160067676 541495920 /nfs/dbraw/zinc/49/59/20/541495920.db2.gz WPTZMHJJJQDPCV-MRVPVSSYSA-N 0 0 233.340 3.292 20 70 BGIDRN Cc1nc(N[C@@H](C)C2CCC2)sc1C ZINC000160068707 541495992 /nfs/dbraw/zinc/49/59/92/541495992.db2.gz ZAHMWFCZVCSXAZ-QMMMGPOBSA-N 0 0 210.346 3.360 20 70 BGIDRN Cc1nc(N[C@H](C)C2CCC2)sc1C ZINC000160068826 353128552 /nfs/dbraw/zinc/12/85/52/353128552.db2.gz ZAHMWFCZVCSXAZ-MRVPVSSYSA-N 0 0 210.346 3.360 20 70 BGIDRN COc1cc(NCc2ccc(C)cn2)ccc1F ZINC000160071018 175003221 /nfs/dbraw/zinc/00/32/21/175003221.db2.gz AUQVXWQEEYMQFK-UHFFFAOYSA-N 0 0 246.285 3.150 20 70 BGIDRN O=C(N[C@@H]1CCCc2sccc21)C1CCC1 ZINC000160071681 182301748 /nfs/dbraw/zinc/30/17/48/182301748.db2.gz JMPKJBQMBGOIBE-LLVKDONJSA-N 0 0 235.352 3.042 20 70 BGIDRN O=C(N[C@H]1CCCc2sccc21)C1CCC1 ZINC000160071795 182334329 /nfs/dbraw/zinc/33/43/29/182334329.db2.gz JMPKJBQMBGOIBE-NSHDSACASA-N 0 0 235.352 3.042 20 70 BGIDRN CN(CCC1CC1)C(=O)Nc1ccsc1 ZINC000160076211 172681873 /nfs/dbraw/zinc/68/18/73/172681873.db2.gz GCMPKPCIRNBLCU-UHFFFAOYSA-N 0 0 224.329 3.012 20 70 BGIDRN CCc1ccccc1C(=O)N1CCCCCC1 ZINC000160088032 397949628 /nfs/dbraw/zinc/94/96/28/397949628.db2.gz DCSJBDOTBUUKIN-UHFFFAOYSA-N 0 0 231.339 3.265 20 70 BGIDRN C[C@@H]1CC[C@H](CC(=O)NCC2(C3CC3)CC2)C1 ZINC000160091814 323060513 /nfs/dbraw/zinc/06/05/13/323060513.db2.gz RWLNFTKOBIPOEG-NEPJUHHUSA-N 0 0 235.371 3.119 20 70 BGIDRN C[C@H]1CC[C@H](CC(=O)NCC2(C3CC3)CC2)C1 ZINC000160091932 346440352 /nfs/dbraw/zinc/44/03/52/346440352.db2.gz RWLNFTKOBIPOEG-RYUDHWBXSA-N 0 0 235.371 3.119 20 70 BGIDRN C[C@@H]1CC[C@@H](CC(=O)NCC2(C3CC3)CC2)C1 ZINC000160092064 346440604 /nfs/dbraw/zinc/44/06/04/346440604.db2.gz RWLNFTKOBIPOEG-VXGBXAGGSA-N 0 0 235.371 3.119 20 70 BGIDRN C[C@H]1CC[C@@H](CC(=O)NCC2(C3CC3)CC2)C1 ZINC000160092206 323060431 /nfs/dbraw/zinc/06/04/31/323060431.db2.gz RWLNFTKOBIPOEG-NWDGAFQWSA-N 0 0 235.371 3.119 20 70 BGIDRN C[C@H](C(=O)NCC1(C2CC2)CC1)c1ccsc1 ZINC000160099856 323060763 /nfs/dbraw/zinc/06/07/63/323060763.db2.gz SJMHXJWJBUSVCB-JTQLQIEISA-N 0 0 249.379 3.158 20 70 BGIDRN CCCSCCC(=O)N(C)c1ccccc1 ZINC000160099975 397949624 /nfs/dbraw/zinc/94/96/24/397949624.db2.gz BMORQKXPRZHQEH-UHFFFAOYSA-N 0 0 237.368 3.183 20 70 BGIDRN C[C@@H](C(=O)NCC1(C2CC2)CC1)c1ccsc1 ZINC000160099991 323060712 /nfs/dbraw/zinc/06/07/12/323060712.db2.gz SJMHXJWJBUSVCB-SNVBAGLBSA-N 0 0 249.379 3.158 20 70 BGIDRN COc1cc(NCc2cnccc2C)ccc1F ZINC000160108556 345799120 /nfs/dbraw/zinc/79/91/20/345799120.db2.gz LZZHYLLSZCRJFT-UHFFFAOYSA-N 0 0 246.285 3.150 20 70 BGIDRN CC(C)SCCC(=O)N(C)c1ccccc1 ZINC000160119538 167321445 /nfs/dbraw/zinc/32/14/45/167321445.db2.gz CBAFMEQTOBGTRE-UHFFFAOYSA-N 0 0 237.368 3.181 20 70 BGIDRN Cc1noc(C)c1CCSc1ccc(C)cn1 ZINC000160120832 323061035 /nfs/dbraw/zinc/06/10/35/323061035.db2.gz WGMQABZFVPDNIA-UHFFFAOYSA-N 0 0 248.351 3.330 20 70 BGIDRN CCCn1nccc1CNc1cccc(F)c1C ZINC000160122239 488108870 /nfs/dbraw/zinc/10/88/70/488108870.db2.gz SOVISYQFXFJCPD-UHFFFAOYSA-N 0 0 247.317 3.353 20 70 BGIDRN O=C(N[C@@H]1CCCc2sccc21)C1=CCCC1 ZINC000160123422 323060997 /nfs/dbraw/zinc/06/09/97/323060997.db2.gz ZACYLALMYHHUDX-GFCCVEGCSA-N 0 0 247.363 3.352 20 70 BGIDRN O=C(N[C@H]1CCCc2sccc21)C1=CCCC1 ZINC000160123564 323061029 /nfs/dbraw/zinc/06/10/29/323061029.db2.gz ZACYLALMYHHUDX-LBPRGKRZSA-N 0 0 247.363 3.352 20 70 BGIDRN C/C=C/CSCCC(=O)N(C)c1ccccc1 ZINC000160123609 187301865 /nfs/dbraw/zinc/30/18/65/187301865.db2.gz DUQAKEJHSCJHRF-ONEGZZNKSA-N 0 0 249.379 3.349 20 70 BGIDRN CCCCSCCc1c(C)noc1C ZINC000160123876 323060964 /nfs/dbraw/zinc/06/09/64/323060964.db2.gz KVVXUKQPQSFBIJ-UHFFFAOYSA-N 0 0 213.346 3.367 20 70 BGIDRN C/C=C(/C)C(=O)N[C@@H]1CCCc2sccc21 ZINC000160124567 384388140 /nfs/dbraw/zinc/38/81/40/384388140.db2.gz VLGBUPFGBVVQBW-IMAIQDNJSA-N 0 0 235.352 3.208 20 70 BGIDRN C/C=C(/C)C(=O)N[C@H]1CCCc2sccc21 ZINC000160124671 384387856 /nfs/dbraw/zinc/38/78/56/384387856.db2.gz VLGBUPFGBVVQBW-QSADENFPSA-N 0 0 235.352 3.208 20 70 BGIDRN COc1cc(NCc2ccc(C)o2)ccc1F ZINC000160136965 384633476 /nfs/dbraw/zinc/63/34/76/384633476.db2.gz KTQACBHPFBHCOO-UHFFFAOYSA-N 0 0 235.258 3.348 20 70 BGIDRN CCCn1nccc1CNc1ccc(F)c(C)c1 ZINC000160138907 488109884 /nfs/dbraw/zinc/10/98/84/488109884.db2.gz YHRYMOVFHWWPNH-UHFFFAOYSA-N 0 0 247.317 3.353 20 70 BGIDRN COc1ccc(C)cc1[C@H](C)OC(=O)C1CC1 ZINC000160139141 175081413 /nfs/dbraw/zinc/08/14/13/175081413.db2.gz LXHQMINSMRQTMI-JTQLQIEISA-N 0 0 234.295 3.018 20 70 BGIDRN C/C=C/CSCCc1c(C)noc1C ZINC000160140128 323061210 /nfs/dbraw/zinc/06/12/10/323061210.db2.gz SASHVKZTJHIQNG-SNAWJCMRSA-N 0 0 211.330 3.143 20 70 BGIDRN CN(C(=O)CCSCC1CC1)c1ccccc1 ZINC000160151768 172305859 /nfs/dbraw/zinc/30/58/59/172305859.db2.gz QZXISESLQIGDFV-UHFFFAOYSA-N 0 0 249.379 3.183 20 70 BGIDRN Cc1cc(C)cc(C(=O)NCC2(C3CC3)CC2)c1 ZINC000160153040 323061448 /nfs/dbraw/zinc/06/14/48/323061448.db2.gz FFAFBSAHWPWFLE-UHFFFAOYSA-N 0 0 243.350 3.223 20 70 BGIDRN CC1(C(=O)N[C@@H]2CCCc3sccc32)CCC1 ZINC000160154436 384386866 /nfs/dbraw/zinc/38/68/66/384386866.db2.gz KESMMEWEKHASKJ-LLVKDONJSA-N 0 0 249.379 3.432 20 70 BGIDRN CC1(C(=O)N[C@H]2CCCc3sccc32)CCC1 ZINC000160154520 384389376 /nfs/dbraw/zinc/38/93/76/384389376.db2.gz KESMMEWEKHASKJ-NSHDSACASA-N 0 0 249.379 3.432 20 70 BGIDRN CCC(CC)C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000160155761 201703892 /nfs/dbraw/zinc/70/38/92/201703892.db2.gz KXDAUFZWKRIXDU-UHFFFAOYSA-N 0 0 247.342 3.037 20 70 BGIDRN CCc1ccccc1C(=O)NCC1(C2CC2)CC1 ZINC000160159580 384391290 /nfs/dbraw/zinc/39/12/90/384391290.db2.gz CWZXWDUGYZQJLS-UHFFFAOYSA-N 0 0 243.350 3.169 20 70 BGIDRN Cc1nc(NC(=O)CCC(C)C)cc(C2CC2)n1 ZINC000160166601 180007596 /nfs/dbraw/zinc/00/75/96/180007596.db2.gz KCCCVQMHIBNJIT-UHFFFAOYSA-N 0 0 247.342 3.037 20 70 BGIDRN CC(C)CC(=O)N[C@@H]1CCCc2sccc21 ZINC000160166705 166770083 /nfs/dbraw/zinc/77/00/83/166770083.db2.gz SIQOQHWOVWBLTD-LLVKDONJSA-N 0 0 237.368 3.288 20 70 BGIDRN CC(C)CC(=O)N[C@H]1CCCc2sccc21 ZINC000160166845 384390038 /nfs/dbraw/zinc/39/00/38/384390038.db2.gz SIQOQHWOVWBLTD-NSHDSACASA-N 0 0 237.368 3.288 20 70 BGIDRN Cc1ccc(CSCCn2ccnc2)cc1C ZINC000160170738 323062345 /nfs/dbraw/zinc/06/23/45/323062345.db2.gz ZKAUNPMKLKEESY-UHFFFAOYSA-N 0 0 246.379 3.433 20 70 BGIDRN O=C(N[C@@H]1CCCc2sccc21)c1ccoc1 ZINC000160171041 384647327 /nfs/dbraw/zinc/64/73/27/384647327.db2.gz AALYEIWSTLVBGX-LLVKDONJSA-N 0 0 247.319 3.149 20 70 BGIDRN O=C(N[C@H]1CCCc2sccc21)c1ccoc1 ZINC000160171170 384646812 /nfs/dbraw/zinc/64/68/12/384646812.db2.gz AALYEIWSTLVBGX-NSHDSACASA-N 0 0 247.319 3.149 20 70 BGIDRN C/C=C/C=C/C(=O)N[C@@H]1CCCc2sccc21 ZINC000160172419 187301495 /nfs/dbraw/zinc/30/14/95/187301495.db2.gz PQONUVZHMKQPGL-LENVYROZSA-N 0 0 247.363 3.374 20 70 BGIDRN C/C=C/C=C/C(=O)N[C@H]1CCCc2sccc21 ZINC000160172545 487595974 /nfs/dbraw/zinc/59/59/74/487595974.db2.gz PQONUVZHMKQPGL-CVDZTHMFSA-N 0 0 247.363 3.374 20 70 BGIDRN CCCn1nccc1CNc1cc(C)cc(F)c1 ZINC000160172600 488111722 /nfs/dbraw/zinc/11/17/22/488111722.db2.gz AFMFLFSQPBTXBC-UHFFFAOYSA-N 0 0 247.317 3.353 20 70 BGIDRN CCC(C)(C)C(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000160184796 168269200 /nfs/dbraw/zinc/26/92/00/168269200.db2.gz DZPRBFOUUTVCGG-UHFFFAOYSA-N 0 0 247.342 3.037 20 70 BGIDRN Cc1cc2c(N[C@@H]3CCC(C)(C)C3)nccn2n1 ZINC000160185267 134799693 /nfs/dbraw/zinc/79/96/93/134799693.db2.gz NEPJOIXYUOABII-LLVKDONJSA-N 0 0 244.342 3.028 20 70 BGIDRN Cc1cc2c(N[C@H]3CCC(C)(C)C3)nccn2n1 ZINC000160185406 384656741 /nfs/dbraw/zinc/65/67/41/384656741.db2.gz NEPJOIXYUOABII-NSHDSACASA-N 0 0 244.342 3.028 20 70 BGIDRN CC[C@@H](CC(=O)NCC1(C2CC2)CC1)C(C)C ZINC000160188646 385405953 /nfs/dbraw/zinc/40/59/53/385405953.db2.gz MWFZHTDPXAVKPS-LBPRGKRZSA-N 0 0 237.387 3.365 20 70 BGIDRN CC[C@H](CC(=O)NCC1(C2CC2)CC1)C(C)C ZINC000160188786 385407051 /nfs/dbraw/zinc/40/70/51/385407051.db2.gz MWFZHTDPXAVKPS-GFCCVEGCSA-N 0 0 237.387 3.365 20 70 BGIDRN Cc1nnc([C@@H](C)SCCc2ccccc2)o1 ZINC000160193667 180442600 /nfs/dbraw/zinc/44/26/00/180442600.db2.gz JUJQPKDKRGNSLW-SNVBAGLBSA-N 0 0 248.351 3.415 20 70 BGIDRN Cc1nnc([C@H](C)SCCc2ccccc2)o1 ZINC000160193796 180446031 /nfs/dbraw/zinc/44/60/31/180446031.db2.gz JUJQPKDKRGNSLW-JTQLQIEISA-N 0 0 248.351 3.415 20 70 BGIDRN C[C@H](C(=O)N[C@@H]1CCCc2sccc21)C1CC1 ZINC000160196823 384394104 /nfs/dbraw/zinc/39/41/04/384394104.db2.gz MTCIFMROIVMLCZ-JOYOIKCWSA-N 0 0 249.379 3.288 20 70 BGIDRN C[C@@H](C(=O)N[C@@H]1CCCc2sccc21)C1CC1 ZINC000160196980 384394596 /nfs/dbraw/zinc/39/45/96/384394596.db2.gz MTCIFMROIVMLCZ-BXKDBHETSA-N 0 0 249.379 3.288 20 70 BGIDRN C[C@H](C(=O)N[C@H]1CCCc2sccc21)C1CC1 ZINC000160197100 176578362 /nfs/dbraw/zinc/57/83/62/176578362.db2.gz MTCIFMROIVMLCZ-CABZTGNLSA-N 0 0 249.379 3.288 20 70 BGIDRN C[C@@H](C(=O)N[C@H]1CCCc2sccc21)C1CC1 ZINC000160197244 175619557 /nfs/dbraw/zinc/61/95/57/175619557.db2.gz MTCIFMROIVMLCZ-SKDRFNHKSA-N 0 0 249.379 3.288 20 70 BGIDRN Cc1ccc(C(=O)N[C@@H](C)C2CCC2)c(F)c1 ZINC000160198097 541355849 /nfs/dbraw/zinc/35/58/49/541355849.db2.gz RJTMUIADTGVTTK-JTQLQIEISA-N 0 0 235.302 3.053 20 70 BGIDRN Cc1ccc(C(=O)N[C@H](C)C2CCC2)c(F)c1 ZINC000160198222 538883708 /nfs/dbraw/zinc/88/37/08/538883708.db2.gz RJTMUIADTGVTTK-SNVBAGLBSA-N 0 0 235.302 3.053 20 70 BGIDRN Cc1cccc(C(=O)N[C@@H](C)C2CCC2)c1F ZINC000160200888 538884072 /nfs/dbraw/zinc/88/40/72/538884072.db2.gz ZRKHKYFGAZMADS-JTQLQIEISA-N 0 0 235.302 3.053 20 70 BGIDRN Cc1cccc(C(=O)N[C@H](C)C2CCC2)c1F ZINC000160201030 538884153 /nfs/dbraw/zinc/88/41/53/538884153.db2.gz ZRKHKYFGAZMADS-SNVBAGLBSA-N 0 0 235.302 3.053 20 70 BGIDRN O=C(CC1=CCCCC1)NCC1(C2CC2)CC1 ZINC000160206513 323063762 /nfs/dbraw/zinc/06/37/62/323063762.db2.gz FXYPWSHBAVXEBW-UHFFFAOYSA-N 0 0 233.355 3.183 20 70 BGIDRN CCc1nnc(CSCCc2ccccc2)o1 ZINC000160208645 172055073 /nfs/dbraw/zinc/05/50/73/172055073.db2.gz MGRLSFXGAFBVTE-UHFFFAOYSA-N 0 0 248.351 3.108 20 70 BGIDRN O=C(NCC1(C2CC2)CC1)C1CCCCCC1 ZINC000160211404 323063838 /nfs/dbraw/zinc/06/38/38/323063838.db2.gz LVWOOBZXHWPOHJ-UHFFFAOYSA-N 0 0 235.371 3.263 20 70 BGIDRN CC[C@@H](C)C(=O)N[C@@H]1CCCc2sccc21 ZINC000160211701 384392462 /nfs/dbraw/zinc/39/24/62/384392462.db2.gz CZTGFYUMSZLDLH-MWLCHTKSSA-N 0 0 237.368 3.288 20 70 BGIDRN CC[C@H](C)C(=O)N[C@@H]1CCCc2sccc21 ZINC000160211803 171253301 /nfs/dbraw/zinc/25/33/01/171253301.db2.gz CZTGFYUMSZLDLH-GXSJLCMTSA-N 0 0 237.368 3.288 20 70 BGIDRN CC[C@@H](C)C(=O)N[C@H]1CCCc2sccc21 ZINC000160211899 384393350 /nfs/dbraw/zinc/39/33/50/384393350.db2.gz CZTGFYUMSZLDLH-KOLCDFICSA-N 0 0 237.368 3.288 20 70 BGIDRN CC[C@H](C)C(=O)N[C@H]1CCCc2sccc21 ZINC000160212034 171253728 /nfs/dbraw/zinc/25/37/28/171253728.db2.gz CZTGFYUMSZLDLH-ONGXEEELSA-N 0 0 237.368 3.288 20 70 BGIDRN Cc1ccc(F)cc1C(=O)NCC1(C2CC2)CC1 ZINC000160212585 384393999 /nfs/dbraw/zinc/39/39/99/384393999.db2.gz VFNXCSHGASSPMY-UHFFFAOYSA-N 0 0 247.313 3.054 20 70 BGIDRN O=C(/C=C/c1cccs1)NCC1(C2CC2)CC1 ZINC000160216616 384392905 /nfs/dbraw/zinc/39/29/05/384392905.db2.gz YELBWGIBCLGRLK-AATRIKPKSA-N 0 0 247.363 3.068 20 70 BGIDRN O=C(NC1(c2ccccc2)CCC1)C1=CCCC1 ZINC000160217389 323064153 /nfs/dbraw/zinc/06/41/53/323064153.db2.gz JQUVCZXFUZMVTH-UHFFFAOYSA-N 0 0 241.334 3.292 20 70 BGIDRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)C1=CCCC1 ZINC000160218627 323064194 /nfs/dbraw/zinc/06/41/94/323064194.db2.gz XKVFTLSZQACVSW-NSHDSACASA-N 0 0 247.313 3.455 20 70 BGIDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)C1=CCCC1 ZINC000160218746 323064134 /nfs/dbraw/zinc/06/41/34/323064134.db2.gz XKVFTLSZQACVSW-LLVKDONJSA-N 0 0 247.313 3.455 20 70 BGIDRN Cc1ccc(C(=O)NCC2(C3CC3)CC2)cc1C ZINC000160226801 346357226 /nfs/dbraw/zinc/35/72/26/346357226.db2.gz ODYMURYMUZBVRL-UHFFFAOYSA-N 0 0 243.350 3.223 20 70 BGIDRN CCc1ccccc1C(=O)N[C@@H](C)[C@@H](C)CC ZINC000160228359 201708007 /nfs/dbraw/zinc/70/80/07/201708007.db2.gz CNTUHVFDMBQZGG-RYUDHWBXSA-N 0 0 233.355 3.413 20 70 BGIDRN CCc1ccccc1C(=O)N[C@H](C)[C@@H](C)CC ZINC000160228478 388054908 /nfs/dbraw/zinc/05/49/08/388054908.db2.gz CNTUHVFDMBQZGG-NWDGAFQWSA-N 0 0 233.355 3.413 20 70 BGIDRN CCc1ccccc1C(=O)N[C@@H](C)[C@H](C)CC ZINC000160228612 388055643 /nfs/dbraw/zinc/05/56/43/388055643.db2.gz CNTUHVFDMBQZGG-NEPJUHHUSA-N 0 0 233.355 3.413 20 70 BGIDRN CCc1ccccc1C(=O)N[C@H](C)[C@H](C)CC ZINC000160228746 388055250 /nfs/dbraw/zinc/05/52/50/388055250.db2.gz CNTUHVFDMBQZGG-VXGBXAGGSA-N 0 0 233.355 3.413 20 70 BGIDRN Cc1cccc(C(=O)NCC2(C3CC3)CC2)c1C ZINC000160229979 179015598 /nfs/dbraw/zinc/01/55/98/179015598.db2.gz PFHWLGYMOJVRQF-UHFFFAOYSA-N 0 0 243.350 3.223 20 70 BGIDRN Cc1cc(C(=O)NCC2(C3CC3)CC2)ccc1F ZINC000160232529 388054571 /nfs/dbraw/zinc/05/45/71/388054571.db2.gz PSRJHUDORCENKH-UHFFFAOYSA-N 0 0 247.313 3.054 20 70 BGIDRN CCCC1(CNC(=O)Nc2ccccc2)CC1 ZINC000160233304 346357887 /nfs/dbraw/zinc/35/78/87/346357887.db2.gz VAQFYEMMXUNCDW-UHFFFAOYSA-N 0 0 232.327 3.388 20 70 BGIDRN O=C(Nc1cc(F)cc(F)c1)C1=CCCC1 ZINC000160235934 323064403 /nfs/dbraw/zinc/06/44/03/323064403.db2.gz HSZUTWZDUVNPAW-UHFFFAOYSA-N 0 0 223.222 3.014 20 70 BGIDRN CC1(C)C[C@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000160236959 187301768 /nfs/dbraw/zinc/30/17/68/187301768.db2.gz YABVXOJKMSVBBC-WDEREUQCSA-N 0 0 249.379 3.288 20 70 BGIDRN CC1(C)C[C@H]1C(=O)N[C@H]1CCCc2sccc21 ZINC000160237114 187301905 /nfs/dbraw/zinc/30/19/05/187301905.db2.gz YABVXOJKMSVBBC-QWRGUYRKSA-N 0 0 249.379 3.288 20 70 BGIDRN C[C@@H]1C[C@@H]1CNc1ncccc1C(F)(F)F ZINC000160238889 176399105 /nfs/dbraw/zinc/39/91/05/176399105.db2.gz FLFINKHKZYEPJD-HTQZYQBOSA-N 0 0 230.233 3.168 20 70 BGIDRN C[C@H]1C[C@@H]1CNc1ncccc1C(F)(F)F ZINC000160239030 177345873 /nfs/dbraw/zinc/34/58/73/177345873.db2.gz FLFINKHKZYEPJD-JGVFFNPUSA-N 0 0 230.233 3.168 20 70 BGIDRN C[C@@H]1C[C@H]1CNc1ncccc1C(F)(F)F ZINC000160239147 398343602 /nfs/dbraw/zinc/34/36/02/398343602.db2.gz FLFINKHKZYEPJD-SFYZADRCSA-N 0 0 230.233 3.168 20 70 BGIDRN C[C@H]1C[C@H]1CNc1ncccc1C(F)(F)F ZINC000160239280 177382520 /nfs/dbraw/zinc/38/25/20/177382520.db2.gz FLFINKHKZYEPJD-YUMQZZPRSA-N 0 0 230.233 3.168 20 70 BGIDRN CC(C)CCC1CCN(C(=O)NC(C)C)CC1 ZINC000160248077 346357682 /nfs/dbraw/zinc/35/76/82/346357682.db2.gz APIRGNUPOSUGIE-UHFFFAOYSA-N 0 0 240.391 3.253 20 70 BGIDRN CC1(C)C[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000160251017 167993885 /nfs/dbraw/zinc/99/38/85/167993885.db2.gz KEPXVXXSBXNSPJ-QWHCGFSZSA-N 0 0 235.371 3.214 20 70 BGIDRN CC1(C)C[C@H]1C(=O)N1CCC[C@H]1C1CCCC1 ZINC000160251165 345844606 /nfs/dbraw/zinc/84/46/06/345844606.db2.gz KEPXVXXSBXNSPJ-STQMWFEESA-N 0 0 235.371 3.214 20 70 BGIDRN COc1cccnc1NCc1cscc1C ZINC000160251726 323064473 /nfs/dbraw/zinc/06/44/73/323064473.db2.gz JHEMPYOISIFVNM-UHFFFAOYSA-N 0 0 234.324 3.072 20 70 BGIDRN COc1cccnc1NC[C@H](C)C(C)(C)C ZINC000160259479 538884102 /nfs/dbraw/zinc/88/41/02/538884102.db2.gz SICMROACMMAOML-JTQLQIEISA-N 0 0 222.332 3.184 20 70 BGIDRN COc1cccnc1NC[C@@H](C)C(C)(C)C ZINC000160259613 538883968 /nfs/dbraw/zinc/88/39/68/538883968.db2.gz SICMROACMMAOML-SNVBAGLBSA-N 0 0 222.332 3.184 20 70 BGIDRN CCCn1c2ccccc2nc1-c1ccn(C)c1 ZINC000160263360 323064568 /nfs/dbraw/zinc/06/45/68/323064568.db2.gz UCCGSZXVMNYWNG-UHFFFAOYSA-N 0 0 239.322 3.452 20 70 BGIDRN CCC[C@@H](CC)NC(=O)C[C@@H](C)c1ccncc1 ZINC000160265309 538883778 /nfs/dbraw/zinc/88/37/78/538883778.db2.gz VPOJJKXFCJMQNS-TZMCWYRMSA-N 0 0 248.370 3.270 20 70 BGIDRN CCC[C@H](CC)NC(=O)C[C@@H](C)c1ccncc1 ZINC000160265411 538883949 /nfs/dbraw/zinc/88/39/49/538883949.db2.gz VPOJJKXFCJMQNS-OCCSQVGLSA-N 0 0 248.370 3.270 20 70 BGIDRN CCC[C@@H](CC)NC(=O)C[C@H](C)c1ccncc1 ZINC000160265542 538884200 /nfs/dbraw/zinc/88/42/00/538884200.db2.gz VPOJJKXFCJMQNS-GXTWGEPZSA-N 0 0 248.370 3.270 20 70 BGIDRN CCC[C@H](CC)NC(=O)C[C@H](C)c1ccncc1 ZINC000160265661 538884002 /nfs/dbraw/zinc/88/40/02/538884002.db2.gz VPOJJKXFCJMQNS-JSGCOSHPSA-N 0 0 248.370 3.270 20 70 BGIDRN Cn1ccc(-c2nc3cccc(Cl)c3n2C)c1 ZINC000160266639 397754734 /nfs/dbraw/zinc/75/47/34/397754734.db2.gz LEBFJVQGFRVCFV-UHFFFAOYSA-N 0 0 245.713 3.232 20 70 BGIDRN Cn1ccc(-c2nc3cc(Cl)ccc3n2C)c1 ZINC000160266931 397754926 /nfs/dbraw/zinc/75/49/26/397754926.db2.gz JUAXDIIFANNPLB-UHFFFAOYSA-N 0 0 245.713 3.232 20 70 BGIDRN O=C(CC1CCC1)N[C@@H]1CCCc2sccc21 ZINC000160267810 187301831 /nfs/dbraw/zinc/30/18/31/187301831.db2.gz IUCYCEDZCDANFX-GFCCVEGCSA-N 0 0 249.379 3.432 20 70 BGIDRN O=C(CC1CCC1)N[C@H]1CCCc2sccc21 ZINC000160267938 384400325 /nfs/dbraw/zinc/40/03/25/384400325.db2.gz IUCYCEDZCDANFX-LBPRGKRZSA-N 0 0 249.379 3.432 20 70 BGIDRN Cn1ccc(-c2nc3c(cccc3Cl)[nH]2)c1 ZINC000160272654 323064497 /nfs/dbraw/zinc/06/44/97/323064497.db2.gz OOXRYUXGFGRSQJ-UHFFFAOYSA-N 0 0 231.686 3.222 20 70 BGIDRN CN(CC1CCC1)C(=O)C1CCC(C)(C)CC1 ZINC000160276664 323075405 /nfs/dbraw/zinc/07/54/05/323075405.db2.gz IVZKQJYQEZRJEX-UHFFFAOYSA-N 0 0 237.387 3.461 20 70 BGIDRN CCc1ccc2[nH]c(-c3ccn(C)c3)nc2c1 ZINC000160277074 323064606 /nfs/dbraw/zinc/06/46/06/323064606.db2.gz KSGZDEONJFHDMS-UHFFFAOYSA-N 0 0 225.295 3.131 20 70 BGIDRN CC(=O)c1ccnc(N2CC[C@H](C(C)(C)C)C2)c1 ZINC000160279183 488120136 /nfs/dbraw/zinc/12/01/36/488120136.db2.gz LYLLHQZNWWUQDR-ZDUSSCGKSA-N 0 0 246.354 3.157 20 70 BGIDRN CC(=O)c1ccnc(N2CC[C@@H](C(C)(C)C)C2)c1 ZINC000160279325 488119967 /nfs/dbraw/zinc/11/99/67/488119967.db2.gz LYLLHQZNWWUQDR-CYBMUJFWSA-N 0 0 246.354 3.157 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC000160280349 323075374 /nfs/dbraw/zinc/07/53/74/323075374.db2.gz OZTLYDZTDJMRLA-DGCLKSJQSA-N 0 0 239.265 3.340 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC000160280473 323064624 /nfs/dbraw/zinc/06/46/24/323064624.db2.gz OZTLYDZTDJMRLA-YPMHNXCESA-N 0 0 239.265 3.340 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC000160280592 323064707 /nfs/dbraw/zinc/06/47/07/323064707.db2.gz OZTLYDZTDJMRLA-WCQYABFASA-N 0 0 239.265 3.340 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(F)cc(F)c1 ZINC000160280717 323064664 /nfs/dbraw/zinc/06/46/64/323064664.db2.gz OZTLYDZTDJMRLA-AAEUAGOBSA-N 0 0 239.265 3.340 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)NCc1ccc(C)c(F)c1 ZINC000160283806 323064605 /nfs/dbraw/zinc/06/46/05/323064605.db2.gz TVTSXAIYYVVVOO-IUODEOHRSA-N 0 0 249.329 3.187 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)NCc1ccc(C)c(F)c1 ZINC000160283911 323064647 /nfs/dbraw/zinc/06/46/47/323064647.db2.gz TVTSXAIYYVVVOO-DOMZBBRYSA-N 0 0 249.329 3.187 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)NCc1ccc(C)c(F)c1 ZINC000160284043 323064640 /nfs/dbraw/zinc/06/46/40/323064640.db2.gz TVTSXAIYYVVVOO-SWLSCSKDSA-N 0 0 249.329 3.187 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)NCc1ccc(C)c(F)c1 ZINC000160284169 323064623 /nfs/dbraw/zinc/06/46/23/323064623.db2.gz TVTSXAIYYVVVOO-WFASDCNBSA-N 0 0 249.329 3.187 20 70 BGIDRN CCCC(C)(C)NC(=O)C[C@@H](C)c1ccncc1 ZINC000160287200 538883847 /nfs/dbraw/zinc/88/38/47/538883847.db2.gz QFZIIGPCOUKBDZ-GFCCVEGCSA-N 0 0 248.370 3.270 20 70 BGIDRN CCCC(C)(C)NC(=O)C[C@H](C)c1ccncc1 ZINC000160287332 538884202 /nfs/dbraw/zinc/88/42/02/538884202.db2.gz QFZIIGPCOUKBDZ-LBPRGKRZSA-N 0 0 248.370 3.270 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000160291430 323064697 /nfs/dbraw/zinc/06/46/97/323064697.db2.gz VKSOJIRMOSKWSA-IIAWOOMASA-N 0 0 243.350 3.226 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000160291687 323064630 /nfs/dbraw/zinc/06/46/30/323064630.db2.gz VKSOJIRMOSKWSA-SQWLQELKSA-N 0 0 243.350 3.226 20 70 BGIDRN CC[C@@H]1CCN(c2ccc(F)cc2C(C)=O)C1 ZINC000160292794 357741314 /nfs/dbraw/zinc/74/13/14/357741314.db2.gz PHOLHQWIBLRRJP-LLVKDONJSA-N 0 0 235.302 3.265 20 70 BGIDRN CC[C@H]1CCN(c2ccc(F)cc2C(C)=O)C1 ZINC000160292923 357741583 /nfs/dbraw/zinc/74/15/83/357741583.db2.gz PHOLHQWIBLRRJP-NSHDSACASA-N 0 0 235.302 3.265 20 70 BGIDRN C[C@@H]1CCCN(C(=O)N(C)C2CCCCC2)C1 ZINC000160296555 384673395 /nfs/dbraw/zinc/67/33/95/384673395.db2.gz GKXXEJUMRNOANC-GFCCVEGCSA-N 0 0 238.375 3.103 20 70 BGIDRN C[C@H]1CCCN(C(=O)N(C)C2CCCCC2)C1 ZINC000160296674 384670893 /nfs/dbraw/zinc/67/08/93/384670893.db2.gz GKXXEJUMRNOANC-LBPRGKRZSA-N 0 0 238.375 3.103 20 70 BGIDRN CN(C(=O)N1CCCCCC1)C1CCCCC1 ZINC000160296808 201710331 /nfs/dbraw/zinc/71/03/31/201710331.db2.gz QEBRYZFRRGUNRS-UHFFFAOYSA-N 0 0 238.375 3.247 20 70 BGIDRN CC1CCN(C(=O)N(C)C2CCCCC2)CC1 ZINC000160296960 384670928 /nfs/dbraw/zinc/67/09/28/384670928.db2.gz QFGVQQXCERKIOK-UHFFFAOYSA-N 0 0 238.375 3.103 20 70 BGIDRN CN(Cc1ccccc1)C(=O)N1CCCCCC1 ZINC000160305007 384400810 /nfs/dbraw/zinc/40/08/10/384400810.db2.gz QONZAFNLUQPBIS-UHFFFAOYSA-N 0 0 246.354 3.114 20 70 BGIDRN CCN(CC1CC1)C(=O)C1CCC(C)(C)CC1 ZINC000160310113 535695438 /nfs/dbraw/zinc/69/54/38/535695438.db2.gz SJDLZYOIWPXVBG-UHFFFAOYSA-N 0 0 237.387 3.461 20 70 BGIDRN CN(CC1CC1)C(=O)C(C)(C)C1CCCC1 ZINC000160310310 323064898 /nfs/dbraw/zinc/06/48/98/323064898.db2.gz JWGVJPQQDRWWLO-UHFFFAOYSA-N 0 0 223.360 3.071 20 70 BGIDRN Cc1cccc(F)c1NCC[C@@H]1CCCO1 ZINC000160312975 179110669 /nfs/dbraw/zinc/11/06/69/179110669.db2.gz HJWSWHFHVNEAJC-NSHDSACASA-N 0 0 223.291 3.115 20 70 BGIDRN Cc1cccc(F)c1NCC[C@H]1CCCO1 ZINC000160313185 179110557 /nfs/dbraw/zinc/11/05/57/179110557.db2.gz HJWSWHFHVNEAJC-LLVKDONJSA-N 0 0 223.291 3.115 20 70 BGIDRN CCSCCNc1c(C)cccc1F ZINC000160316285 361304244 /nfs/dbraw/zinc/30/42/44/361304244.db2.gz LJPZHGBAQUTAMG-UHFFFAOYSA-N 0 0 213.321 3.299 20 70 BGIDRN CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H](C)C2)C1 ZINC000160321871 355912978 /nfs/dbraw/zinc/91/29/78/355912978.db2.gz XQQJILHWCRENBG-BFHYXJOUSA-N 0 0 237.387 3.461 20 70 BGIDRN CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H](C)C2)C1 ZINC000160322130 355912988 /nfs/dbraw/zinc/91/29/88/355912988.db2.gz XQQJILHWCRENBG-MJBXVCDLSA-N 0 0 237.387 3.461 20 70 BGIDRN CCC(CC)C(=O)OCc1nc(C)sc1C ZINC000160323236 168342370 /nfs/dbraw/zinc/34/23/70/168342370.db2.gz YYZPEKCQJWSNJU-UHFFFAOYSA-N 0 0 241.356 3.239 20 70 BGIDRN CCSCCN(C)c1cccc(C)c1 ZINC000160324986 323064856 /nfs/dbraw/zinc/06/48/56/323064856.db2.gz AIKDWKUEZFJJLO-UHFFFAOYSA-N 0 0 209.358 3.184 20 70 BGIDRN CCC[C@@H](C)C(=O)OCc1nc(C)sc1C ZINC000160326814 169353821 /nfs/dbraw/zinc/35/38/21/169353821.db2.gz SSTNKSKRNGCWEF-MRVPVSSYSA-N 0 0 241.356 3.239 20 70 BGIDRN CCC[C@H](C)C(=O)OCc1nc(C)sc1C ZINC000160326920 384403399 /nfs/dbraw/zinc/40/33/99/384403399.db2.gz SSTNKSKRNGCWEF-QMMMGPOBSA-N 0 0 241.356 3.239 20 70 BGIDRN CCC(C)(CC)NC(=O)c1cc(C)c(C)o1 ZINC000160354723 323065325 /nfs/dbraw/zinc/06/53/25/323065325.db2.gz XSJTYDPVTMHDFS-UHFFFAOYSA-N 0 0 223.316 3.205 20 70 BGIDRN CCc1cc(C)c(C(=O)NC(C)(CC)CC)o1 ZINC000160354919 323065356 /nfs/dbraw/zinc/06/53/56/323065356.db2.gz CDHNUJGOPAJFQA-UHFFFAOYSA-N 0 0 237.343 3.459 20 70 BGIDRN CCN(C(=O)N1CCC(C)CC1)C1CCCC1 ZINC000160358872 397924332 /nfs/dbraw/zinc/92/43/32/397924332.db2.gz GUZKAWHCYSOENH-UHFFFAOYSA-N 0 0 238.375 3.103 20 70 BGIDRN C[C@@H](CC(=O)N(C)CC(C)(C)C)c1ccncc1 ZINC000160363473 538111551 /nfs/dbraw/zinc/11/15/51/538111551.db2.gz KPWUYEFQOILYOO-LBPRGKRZSA-N 0 0 248.370 3.080 20 70 BGIDRN C[C@H](CC(=O)N(C)CC(C)(C)C)c1ccncc1 ZINC000160363608 538884260 /nfs/dbraw/zinc/88/42/60/538884260.db2.gz KPWUYEFQOILYOO-GFCCVEGCSA-N 0 0 248.370 3.080 20 70 BGIDRN O=C(COc1ccc(Cl)cc1)CC1CC1 ZINC000160374640 388059891 /nfs/dbraw/zinc/05/98/91/388059891.db2.gz FSNQWUSXDRGYKK-UHFFFAOYSA-N 0 0 224.687 3.088 20 70 BGIDRN CC(C)OC(=O)N[C@@H]1CCCc2ccccc21 ZINC000160377128 167163265 /nfs/dbraw/zinc/16/32/65/167163265.db2.gz NMCZQTWGXISTCV-CYBMUJFWSA-N 0 0 233.311 3.199 20 70 BGIDRN CC(C)OCCNc1c(F)cccc1Cl ZINC000160380326 167247143 /nfs/dbraw/zinc/24/71/43/167247143.db2.gz OSEFVRGVNXZNAE-UHFFFAOYSA-N 0 0 231.698 3.316 20 70 BGIDRN CC(C)(O)CCNc1c(F)cccc1Cl ZINC000160381384 361307328 /nfs/dbraw/zinc/30/73/28/361307328.db2.gz NCLKJPKJOVJONE-UHFFFAOYSA-N 0 0 231.698 3.052 20 70 BGIDRN CCc1cccc(CC(=O)NC2(CC)CCC2)c1 ZINC000160384253 323065799 /nfs/dbraw/zinc/06/57/99/323065799.db2.gz WVZBZZSYCWPDCW-UHFFFAOYSA-N 0 0 245.366 3.240 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)NCc1ccc(F)c(C)c1 ZINC000160398075 323065601 /nfs/dbraw/zinc/06/56/01/323065601.db2.gz JYKAGURRHHJVCB-IUODEOHRSA-N 0 0 249.329 3.187 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)NCc1ccc(F)c(C)c1 ZINC000160398205 323065560 /nfs/dbraw/zinc/06/55/60/323065560.db2.gz JYKAGURRHHJVCB-DOMZBBRYSA-N 0 0 249.329 3.187 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)NCc1ccc(F)c(C)c1 ZINC000160398321 323065588 /nfs/dbraw/zinc/06/55/88/323065588.db2.gz JYKAGURRHHJVCB-SWLSCSKDSA-N 0 0 249.329 3.187 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)NCc1ccc(F)c(C)c1 ZINC000160398472 323065621 /nfs/dbraw/zinc/06/56/21/323065621.db2.gz JYKAGURRHHJVCB-WFASDCNBSA-N 0 0 249.329 3.187 20 70 BGIDRN CCCCN(C(=O)N1CCC(C)CC1)C1CC1 ZINC000160404100 168754248 /nfs/dbraw/zinc/75/42/48/168754248.db2.gz UQUBKATVZMJSMY-UHFFFAOYSA-N 0 0 238.375 3.103 20 70 BGIDRN CCC[C@@H](C)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000160422848 323066179 /nfs/dbraw/zinc/06/61/79/323066179.db2.gz KEGMTMSOFDESNZ-AGIUHOORSA-N 0 0 223.360 3.214 20 70 BGIDRN CCC[C@H](C)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000160422950 323066127 /nfs/dbraw/zinc/06/61/27/323066127.db2.gz KEGMTMSOFDESNZ-AVGNSLFASA-N 0 0 223.360 3.214 20 70 BGIDRN Cc1ccc(OCC(=O)CCC2CCCC2)nc1 ZINC000160426156 348198978 /nfs/dbraw/zinc/19/89/78/348198978.db2.gz YGEIXFFCOJIBIX-UHFFFAOYSA-N 0 0 247.338 3.308 20 70 BGIDRN CC(C)N(C(=O)C[C@@H](C)c1ccncc1)C(C)C ZINC000160430707 538884676 /nfs/dbraw/zinc/88/46/76/538884676.db2.gz FUZRWAQVMHPJIU-CYBMUJFWSA-N 0 0 248.370 3.221 20 70 BGIDRN CC(C)N(C(=O)C[C@H](C)c1ccncc1)C(C)C ZINC000160430812 538884753 /nfs/dbraw/zinc/88/47/53/538884753.db2.gz FUZRWAQVMHPJIU-ZDUSSCGKSA-N 0 0 248.370 3.221 20 70 BGIDRN O=C(CCC1CCCC1)CSc1ncc[nH]1 ZINC000160435125 384411778 /nfs/dbraw/zinc/41/17/78/384411778.db2.gz CDWIEFIUJGCDIE-UHFFFAOYSA-N 0 0 238.356 3.041 20 70 BGIDRN Cc1cc(NC(=O)C2CCC(C)(C)CC2)no1 ZINC000160438664 178124996 /nfs/dbraw/zinc/12/49/96/178124996.db2.gz WEKJTEKUKIFXEK-UHFFFAOYSA-N 0 0 236.315 3.138 20 70 BGIDRN CC[C@@H](C)N(C)c1nc2cc(F)ccc2o1 ZINC000160441071 323066443 /nfs/dbraw/zinc/06/64/43/323066443.db2.gz JDFUQNGPUDCVLH-MRVPVSSYSA-N 0 0 222.263 3.202 20 70 BGIDRN CC[C@H](C)N(C)c1nc2cc(F)ccc2o1 ZINC000160441203 323066427 /nfs/dbraw/zinc/06/64/27/323066427.db2.gz JDFUQNGPUDCVLH-QMMMGPOBSA-N 0 0 222.263 3.202 20 70 BGIDRN CC(C)CN(C(=O)N1CCC(C)CC1)C(C)C ZINC000160442752 566353731 /nfs/dbraw/zinc/35/37/31/566353731.db2.gz LZODAJUUKOLPFO-UHFFFAOYSA-N 0 0 240.391 3.205 20 70 BGIDRN CCC[C@H](C(=O)N1CCCCC1)C(C)C ZINC000160443878 323066599 /nfs/dbraw/zinc/06/65/99/323066599.db2.gz XUPISNLKNJICBA-LBPRGKRZSA-N 0 0 211.349 3.071 20 70 BGIDRN CCC[C@@H](C(=O)N1CCCCC1)C(C)C ZINC000160444009 323066641 /nfs/dbraw/zinc/06/66/41/323066641.db2.gz XUPISNLKNJICBA-GFCCVEGCSA-N 0 0 211.349 3.071 20 70 BGIDRN Cc1cc(C(=O)N2CCCCC2)cc(C)c1F ZINC000160445780 384412131 /nfs/dbraw/zinc/41/21/31/384412131.db2.gz DWCRWFQGIMUCRB-UHFFFAOYSA-N 0 0 235.302 3.069 20 70 BGIDRN CC(C)n1cccc1C(=O)N1CCCCCC1 ZINC000160449174 384412635 /nfs/dbraw/zinc/41/26/35/384412635.db2.gz BFLLKBXSEUBLSV-UHFFFAOYSA-N 0 0 234.343 3.085 20 70 BGIDRN CCC(CC)CNC(=O)C[C@@H](C)c1ccncc1 ZINC000160451235 538884617 /nfs/dbraw/zinc/88/46/17/538884617.db2.gz HLHCFGJEOLBAGT-GFCCVEGCSA-N 0 0 248.370 3.128 20 70 BGIDRN CCC[C@H](C(=O)N1CCCCCC1)C(C)C ZINC000160451254 323066542 /nfs/dbraw/zinc/06/65/42/323066542.db2.gz WHABEWZSOCMPSY-ZDUSSCGKSA-N 0 0 225.376 3.461 20 70 BGIDRN CCC(CC)CNC(=O)C[C@H](C)c1ccncc1 ZINC000160451361 538884632 /nfs/dbraw/zinc/88/46/32/538884632.db2.gz HLHCFGJEOLBAGT-LBPRGKRZSA-N 0 0 248.370 3.128 20 70 BGIDRN CCC[C@@H](C(=O)N1CCCCCC1)C(C)C ZINC000160451402 323066558 /nfs/dbraw/zinc/06/65/58/323066558.db2.gz WHABEWZSOCMPSY-CYBMUJFWSA-N 0 0 225.376 3.461 20 70 BGIDRN Cc1cc(C(=O)N2CCCCCC2)cc(C)c1F ZINC000160453389 323066689 /nfs/dbraw/zinc/06/66/89/323066689.db2.gz HULYOIDVPHGKFW-UHFFFAOYSA-N 0 0 249.329 3.459 20 70 BGIDRN C[C@H](N(C)C(=O)N1CCC(C)CC1)C(C)(C)C ZINC000160458853 323066929 /nfs/dbraw/zinc/06/69/29/323066929.db2.gz XXJUMBKYIHNLDW-LBPRGKRZSA-N 0 0 240.391 3.205 20 70 BGIDRN C[C@@H](N(C)C(=O)N1CCC(C)CC1)C(C)(C)C ZINC000160458979 323066890 /nfs/dbraw/zinc/06/68/90/323066890.db2.gz XXJUMBKYIHNLDW-GFCCVEGCSA-N 0 0 240.391 3.205 20 70 BGIDRN CCSc1cccc(C(=O)N[C@H](C)CC)c1 ZINC000160463747 323067828 /nfs/dbraw/zinc/06/78/28/323067828.db2.gz AVOUOPDKJCRBHG-SNVBAGLBSA-N 0 0 237.368 3.327 20 70 BGIDRN CCSc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC000160463878 323067846 /nfs/dbraw/zinc/06/78/46/323067846.db2.gz AVOUOPDKJCRBHG-JTQLQIEISA-N 0 0 237.368 3.327 20 70 BGIDRN CCCCCNC(=O)[C@@H](CCC)C(C)C ZINC000160471144 323068007 /nfs/dbraw/zinc/06/80/07/323068007.db2.gz SIRQHWOVQQYQLD-LBPRGKRZSA-N 0 0 213.365 3.365 20 70 BGIDRN CCCCCNC(=O)[C@H](CCC)C(C)C ZINC000160471255 323068063 /nfs/dbraw/zinc/06/80/63/323068063.db2.gz SIRQHWOVQQYQLD-GFCCVEGCSA-N 0 0 213.365 3.365 20 70 BGIDRN CC(C)OC(=O)N[C@@H](C)CCc1ccccc1 ZINC000160471899 167164793 /nfs/dbraw/zinc/16/47/93/167164793.db2.gz QEYSREQMIFWCTA-LBPRGKRZSA-N 0 0 235.327 3.142 20 70 BGIDRN CC(C)OC(=O)N[C@H](C)CCc1ccccc1 ZINC000160472004 167165287 /nfs/dbraw/zinc/16/52/87/167165287.db2.gz QEYSREQMIFWCTA-GFCCVEGCSA-N 0 0 235.327 3.142 20 70 BGIDRN CC1CCN(C(=O)NC2(C)CCCCC2)CC1 ZINC000160478584 201720678 /nfs/dbraw/zinc/72/06/78/201720678.db2.gz TULYVMIJNGMTBK-UHFFFAOYSA-N 0 0 238.375 3.151 20 70 BGIDRN CCCCC(=O)N[C@@H](CC)c1c(C)noc1C ZINC000160482079 387098080 /nfs/dbraw/zinc/09/80/80/387098080.db2.gz KMNCCJVUYSUJIL-NSHDSACASA-N 0 0 238.331 3.049 20 70 BGIDRN CCCCC(=O)N[C@H](CC)c1c(C)noc1C ZINC000160482204 387096558 /nfs/dbraw/zinc/09/65/58/387096558.db2.gz KMNCCJVUYSUJIL-LLVKDONJSA-N 0 0 238.331 3.049 20 70 BGIDRN CCCC[S@@](=O)c1ncc(C(C)(C)C)s1 ZINC000160486986 169016520 /nfs/dbraw/zinc/01/65/20/169016520.db2.gz JRZNDUDQSYPHPR-HNNXBMFYSA-N 0 0 245.413 3.348 20 70 BGIDRN CCCC[S@](=O)c1ncc(C(C)(C)C)s1 ZINC000160487114 169017194 /nfs/dbraw/zinc/01/71/94/169017194.db2.gz JRZNDUDQSYPHPR-OAHLLOKOSA-N 0 0 245.413 3.348 20 70 BGIDRN C/C=C/C[S@@](=O)c1ncc(C(C)(C)C)s1 ZINC000160500362 188517278 /nfs/dbraw/zinc/51/72/78/188517278.db2.gz WQJLDUHUEFNQNQ-NFAHFFEMSA-N 0 0 243.397 3.124 20 70 BGIDRN C/C=C/C[S@](=O)c1ncc(C(C)(C)C)s1 ZINC000160500494 187301637 /nfs/dbraw/zinc/30/16/37/187301637.db2.gz WQJLDUHUEFNQNQ-LLYBFZRZSA-N 0 0 243.397 3.124 20 70 BGIDRN CC(C)OC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000160506766 167164443 /nfs/dbraw/zinc/16/44/43/167164443.db2.gz VEWBEKPLEPLDPI-ZDUSSCGKSA-N 0 0 233.311 3.021 20 70 BGIDRN CC(C)OC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000160506910 167164221 /nfs/dbraw/zinc/16/42/21/167164221.db2.gz VEWBEKPLEPLDPI-CYBMUJFWSA-N 0 0 233.311 3.021 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)N1CCc2sccc2C1 ZINC000160512354 323069847 /nfs/dbraw/zinc/06/98/47/323069847.db2.gz PWAIRCUIRWZUND-BXUZGUMPSA-N 0 0 249.379 3.069 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)N1CCc2sccc2C1 ZINC000160512471 323069920 /nfs/dbraw/zinc/06/99/20/323069920.db2.gz PWAIRCUIRWZUND-RISCZKNCSA-N 0 0 249.379 3.069 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)N1CCc2sccc2C1 ZINC000160512585 323069854 /nfs/dbraw/zinc/06/98/54/323069854.db2.gz PWAIRCUIRWZUND-SMDDNHRTSA-N 0 0 249.379 3.069 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)N1CCc2sccc2C1 ZINC000160512714 323069858 /nfs/dbraw/zinc/06/98/58/323069858.db2.gz PWAIRCUIRWZUND-FZMZJTMJSA-N 0 0 249.379 3.069 20 70 BGIDRN CC[C@H](C(=O)N(C)C1CCC1)c1ccc(F)cc1 ZINC000160515881 171220316 /nfs/dbraw/zinc/22/03/16/171220316.db2.gz BTXDWESEIRKXMI-AWEZNQCLSA-N 0 0 249.329 3.330 20 70 BGIDRN CC[C@@H](C(=O)N(C)C1CCC1)c1ccc(F)cc1 ZINC000160515987 384418327 /nfs/dbraw/zinc/41/83/27/384418327.db2.gz BTXDWESEIRKXMI-CQSZACIVSA-N 0 0 249.329 3.330 20 70 BGIDRN Cc1ccccc1CN(C)Cc1cncs1 ZINC000160518029 323069871 /nfs/dbraw/zinc/06/98/71/323069871.db2.gz IHDFJPGPUFQHGX-UHFFFAOYSA-N 0 0 232.352 3.084 20 70 BGIDRN CCc1ccccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000160518953 388072200 /nfs/dbraw/zinc/07/22/00/388072200.db2.gz VVGHROVNHJRHIF-BETUJISGSA-N 0 0 245.366 3.367 20 70 BGIDRN CCc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000160519079 388072624 /nfs/dbraw/zinc/07/26/24/388072624.db2.gz VVGHROVNHJRHIF-STQMWFEESA-N 0 0 245.366 3.367 20 70 BGIDRN CCc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000160519205 388072380 /nfs/dbraw/zinc/07/23/80/388072380.db2.gz VVGHROVNHJRHIF-CHWSQXEVSA-N 0 0 245.366 3.367 20 70 BGIDRN CC(C)(C)NC(=O)Nc1cc(F)cc(F)c1F ZINC000160521411 387103027 /nfs/dbraw/zinc/10/30/27/387103027.db2.gz MTYSXXPLVBYRIP-UHFFFAOYSA-N 0 0 246.232 3.024 20 70 BGIDRN CCCCNC(=O)Nc1cc(F)cc(F)c1F ZINC000160521731 168853306 /nfs/dbraw/zinc/85/33/06/168853306.db2.gz ICVFAOXTVBHYRN-UHFFFAOYSA-N 0 0 246.232 3.026 20 70 BGIDRN CCN(C)C(=O)N1CCC2(CCCCC2)CC1 ZINC000160532377 136222097 /nfs/dbraw/zinc/22/20/97/136222097.db2.gz PPTSQRXRNZZXDW-UHFFFAOYSA-N 0 0 238.375 3.104 20 70 BGIDRN CC[C@@H](C)CN(C)C(=O)C[C@@H](C)c1ccncc1 ZINC000160535618 538885483 /nfs/dbraw/zinc/88/54/83/538885483.db2.gz OYARYTJIHCKCFR-CHWSQXEVSA-N 0 0 248.370 3.080 20 70 BGIDRN CC[C@H](C)CN(C)C(=O)C[C@@H](C)c1ccncc1 ZINC000160535762 538885443 /nfs/dbraw/zinc/88/54/43/538885443.db2.gz OYARYTJIHCKCFR-QWHCGFSZSA-N 0 0 248.370 3.080 20 70 BGIDRN CC[C@@H](C)CN(C)C(=O)C[C@H](C)c1ccncc1 ZINC000160535890 538885459 /nfs/dbraw/zinc/88/54/59/538885459.db2.gz OYARYTJIHCKCFR-OLZOCXBDSA-N 0 0 248.370 3.080 20 70 BGIDRN CC[C@H](C)CN(C)C(=O)C[C@H](C)c1ccncc1 ZINC000160536019 538885139 /nfs/dbraw/zinc/88/51/39/538885139.db2.gz OYARYTJIHCKCFR-STQMWFEESA-N 0 0 248.370 3.080 20 70 BGIDRN CC(C)(C)CCCNC(=O)CNc1ccccc1 ZINC000160537126 323070351 /nfs/dbraw/zinc/07/03/51/323070351.db2.gz IHKFALPTOVLHIA-UHFFFAOYSA-N 0 0 248.370 3.041 20 70 BGIDRN CC[C@H](C(=O)NCCC1CC1)c1ccc(F)cc1 ZINC000160538833 538885088 /nfs/dbraw/zinc/88/50/88/538885088.db2.gz OZOHDJABPBFGAP-AWEZNQCLSA-N 0 0 249.329 3.236 20 70 BGIDRN CC[C@@H](C(=O)NCCC1CC1)c1ccc(F)cc1 ZINC000160538970 538885452 /nfs/dbraw/zinc/88/54/52/538885452.db2.gz OZOHDJABPBFGAP-CQSZACIVSA-N 0 0 249.329 3.236 20 70 BGIDRN C[C@@H](CNc1nc2ccccc2[nH]1)C1CC1 ZINC000160548146 538111572 /nfs/dbraw/zinc/11/15/72/538111572.db2.gz ZTEMJXGLHCRNQK-VIFPVBQESA-N 0 0 215.300 3.021 20 70 BGIDRN C[C@H](CNc1nc2ccccc2[nH]1)C1CC1 ZINC000160548279 538885031 /nfs/dbraw/zinc/88/50/31/538885031.db2.gz ZTEMJXGLHCRNQK-SECBINFHSA-N 0 0 215.300 3.021 20 70 BGIDRN CCCN(CC1CC1)C(=O)NCC(CC)CC ZINC000160549098 323070692 /nfs/dbraw/zinc/07/06/92/323070692.db2.gz BRXRBLQVYVJQIE-UHFFFAOYSA-N 0 0 240.391 3.254 20 70 BGIDRN CSC[C@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC000160549985 323071018 /nfs/dbraw/zinc/07/10/18/323071018.db2.gz GKBHHRDYPPLBSG-JTQLQIEISA-N 0 0 243.416 3.071 20 70 BGIDRN CC1(C)C[C@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC000160550054 187301408 /nfs/dbraw/zinc/30/14/08/187301408.db2.gz KYFGZAHNUVBWBA-QMMMGPOBSA-N 0 0 236.340 3.005 20 70 BGIDRN CSC[C@@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC000160550095 323070678 /nfs/dbraw/zinc/07/06/78/323070678.db2.gz GKBHHRDYPPLBSG-SNVBAGLBSA-N 0 0 243.416 3.071 20 70 BGIDRN CCC[C@H](C(=O)NCCc1ccco1)C(C)C ZINC000160550620 323070790 /nfs/dbraw/zinc/07/07/90/323070790.db2.gz MFRZBCFSDURUPX-ZDUSSCGKSA-N 0 0 237.343 3.011 20 70 BGIDRN CCC[C@@H](C(=O)NCCc1ccco1)C(C)C ZINC000160550737 323070799 /nfs/dbraw/zinc/07/07/99/323070799.db2.gz MFRZBCFSDURUPX-CYBMUJFWSA-N 0 0 237.343 3.011 20 70 BGIDRN CSCCCCNc1nc2ccccc2[nH]1 ZINC000160551550 387103989 /nfs/dbraw/zinc/10/39/89/387103989.db2.gz LOQSKECDFWYWPD-UHFFFAOYSA-N 0 0 235.356 3.118 20 70 BGIDRN CCN(CC)C(=O)N1CCC(CC)(CC)CC1 ZINC000160551590 323070739 /nfs/dbraw/zinc/07/07/39/323070739.db2.gz DSOXTFHDBQKDEU-UHFFFAOYSA-N 0 0 240.391 3.350 20 70 BGIDRN c1ccc2[nH]c(NCCCC3CC3)nc2c1 ZINC000160551685 323071121 /nfs/dbraw/zinc/07/11/21/323071121.db2.gz CIYGLXSVGASKLW-UHFFFAOYSA-N 0 0 215.300 3.165 20 70 BGIDRN CCC1(CC)CCN(C(=O)NC(C)(C)C)CC1 ZINC000160551954 388074728 /nfs/dbraw/zinc/07/47/28/388074728.db2.gz GPZRCGYEGFHSMK-UHFFFAOYSA-N 0 0 240.391 3.397 20 70 BGIDRN CCCCNC(=O)N1CCC(CC)(CC)CC1 ZINC000160552235 388074927 /nfs/dbraw/zinc/07/49/27/388074927.db2.gz YOPDRNGPHDWNNH-UHFFFAOYSA-N 0 0 240.391 3.398 20 70 BGIDRN CCC1(CC)CCN(C(=O)NC2CCC2)CC1 ZINC000160553156 349194276 /nfs/dbraw/zinc/19/42/76/349194276.db2.gz WUZFKOKMHAISFP-UHFFFAOYSA-N 0 0 238.375 3.151 20 70 BGIDRN c1ccc2[nH]c(NCCC3CCC3)nc2c1 ZINC000160555527 387104250 /nfs/dbraw/zinc/10/42/50/387104250.db2.gz GJHWFCZCDQFLLO-UHFFFAOYSA-N 0 0 215.300 3.165 20 70 BGIDRN CCC(CC)CNC(=O)N(CC)C1CCCC1 ZINC000160555669 323071492 /nfs/dbraw/zinc/07/14/92/323071492.db2.gz JAYPXHILPLHSON-UHFFFAOYSA-N 0 0 240.391 3.397 20 70 BGIDRN CCC(CC)CNC(=O)N(CC)CC(C)C ZINC000160556241 323071641 /nfs/dbraw/zinc/07/16/41/323071641.db2.gz DIXKMCZPPMGOBT-UHFFFAOYSA-N 0 0 228.380 3.110 20 70 BGIDRN C[C@H](Nc1nc2ccccc2[nH]1)C1CCC1 ZINC000160557225 387104834 /nfs/dbraw/zinc/10/48/34/387104834.db2.gz DNUSCMMHJSAPGD-VIFPVBQESA-N 0 0 215.300 3.163 20 70 BGIDRN C[C@@H](Nc1nc2ccccc2[nH]1)C1CCC1 ZINC000160557350 387105614 /nfs/dbraw/zinc/10/56/14/387105614.db2.gz DNUSCMMHJSAPGD-SECBINFHSA-N 0 0 215.300 3.163 20 70 BGIDRN COc1cc(NC(=O)c2ccccc2)ccc1F ZINC000160557906 133508746 /nfs/dbraw/zinc/50/87/46/133508746.db2.gz AYLRUEYFJKFPEH-UHFFFAOYSA-N 0 0 245.253 3.087 20 70 BGIDRN CCC[C@H](C(=O)N1CCC(C)CC1)C(C)C ZINC000160563029 323071974 /nfs/dbraw/zinc/07/19/74/323071974.db2.gz HFYHDUZAVUUQAJ-ZDUSSCGKSA-N 0 0 225.376 3.317 20 70 BGIDRN CCC[C@@H](C(=O)N1CCC(C)CC1)C(C)C ZINC000160563154 323071943 /nfs/dbraw/zinc/07/19/43/323071943.db2.gz HFYHDUZAVUUQAJ-CYBMUJFWSA-N 0 0 225.376 3.317 20 70 BGIDRN Cc1cc(C(=O)N2CCC(C)CC2)cc(C)c1F ZINC000160564649 323071913 /nfs/dbraw/zinc/07/19/13/323071913.db2.gz XAAUARFZIXNOAQ-UHFFFAOYSA-N 0 0 249.329 3.315 20 70 BGIDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC(C)(C)C ZINC000160568930 397770729 /nfs/dbraw/zinc/77/07/29/397770729.db2.gz LPFHKBBMXFFAAL-ZJUUUORDSA-N 0 0 237.368 3.075 20 70 BGIDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC(C)(C)C ZINC000160569063 397770804 /nfs/dbraw/zinc/77/08/04/397770804.db2.gz LPFHKBBMXFFAAL-UWVGGRQHSA-N 0 0 237.368 3.075 20 70 BGIDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC(C)(C)C ZINC000160569193 397770791 /nfs/dbraw/zinc/77/07/91/397770791.db2.gz LPFHKBBMXFFAAL-NXEZZACHSA-N 0 0 237.368 3.075 20 70 BGIDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)NC(C)(C)C ZINC000160569306 397770895 /nfs/dbraw/zinc/77/08/95/397770895.db2.gz LPFHKBBMXFFAAL-VHSXEESVSA-N 0 0 237.368 3.075 20 70 BGIDRN CCCC1(CNC(=O)c2ccc(C)nc2C)CC1 ZINC000160578289 323072778 /nfs/dbraw/zinc/07/27/78/323072778.db2.gz ZGLNGASOOOKZML-UHFFFAOYSA-N 0 0 246.354 3.009 20 70 BGIDRN CCC(=CC(=O)Nc1ccnn1C(C)(C)C)CC ZINC000160582235 168195703 /nfs/dbraw/zinc/19/57/03/168195703.db2.gz MTQGVETVUZTQHR-UHFFFAOYSA-N 0 0 249.358 3.323 20 70 BGIDRN CC1(C)C[C@H](Nc2nc3ccccc3o2)CCO1 ZINC000160582969 188221268 /nfs/dbraw/zinc/22/12/68/188221268.db2.gz ZTFYRBJQIJPKQU-SNVBAGLBSA-N 0 0 246.310 3.197 20 70 BGIDRN CC1(C)C[C@@H](Nc2nc3ccccc3o2)CCO1 ZINC000160583096 167978643 /nfs/dbraw/zinc/97/86/43/167978643.db2.gz ZTFYRBJQIJPKQU-JTQLQIEISA-N 0 0 246.310 3.197 20 70 BGIDRN CCCC1(CNC(=O)C(CC)CC)CC1 ZINC000160584842 323073224 /nfs/dbraw/zinc/07/32/24/323073224.db2.gz PPMFJNGOVXYQGS-UHFFFAOYSA-N 0 0 211.349 3.119 20 70 BGIDRN CCC(CC)CNC(=O)N1CCCC(C)(C)C1 ZINC000160586477 323073215 /nfs/dbraw/zinc/07/32/15/323073215.db2.gz RMTJUVXBXLPXBM-UHFFFAOYSA-N 0 0 240.391 3.254 20 70 BGIDRN Cc1cc(F)cc(NC(=O)C2=C(C)OCCC2)c1 ZINC000160586702 168079215 /nfs/dbraw/zinc/07/92/15/168079215.db2.gz HLBSKBHQXHNUJI-UHFFFAOYSA-N 0 0 249.285 3.157 20 70 BGIDRN CCC[C@@H]1CCCN(c2ccnc(C3CC3)n2)C1 ZINC000160588655 132231853 /nfs/dbraw/zinc/23/18/53/132231853.db2.gz CNSSSTYXXQFVAR-GFCCVEGCSA-N 0 0 245.370 3.371 20 70 BGIDRN CCC[C@H]1CCCN(c2ccnc(C3CC3)n2)C1 ZINC000160588772 535729823 /nfs/dbraw/zinc/72/98/23/535729823.db2.gz CNSSSTYXXQFVAR-LBPRGKRZSA-N 0 0 245.370 3.371 20 70 BGIDRN CCC(CC)CNC(=O)N1CCCC[C@H]1CC ZINC000160592001 357106806 /nfs/dbraw/zinc/10/68/06/357106806.db2.gz URTPBHVEKFKUHQ-CYBMUJFWSA-N 0 0 240.391 3.397 20 70 BGIDRN CCC(CC)CNC(=O)N1CCCC[C@@H]1CC ZINC000160592115 357106701 /nfs/dbraw/zinc/10/67/01/357106701.db2.gz URTPBHVEKFKUHQ-ZDUSSCGKSA-N 0 0 240.391 3.397 20 70 BGIDRN CCC(CC)CNC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000160592245 323073321 /nfs/dbraw/zinc/07/33/21/323073321.db2.gz OPGVTXPTQBBQOT-TXEJJXNPSA-N 0 0 240.391 3.110 20 70 BGIDRN CCC(CC)CNC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000160592399 323073357 /nfs/dbraw/zinc/07/33/57/323073357.db2.gz OPGVTXPTQBBQOT-RYUDHWBXSA-N 0 0 240.391 3.110 20 70 BGIDRN CC1CCN(C(=O)N2CCCCC[C@@H]2C)CC1 ZINC000160592463 168174106 /nfs/dbraw/zinc/17/41/06/168174106.db2.gz ICOPIKAQBHJICV-ZDUSSCGKSA-N 0 0 238.375 3.103 20 70 BGIDRN CCC(CC)CNC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000160592534 323073409 /nfs/dbraw/zinc/07/34/09/323073409.db2.gz OPGVTXPTQBBQOT-VXGBXAGGSA-N 0 0 240.391 3.110 20 70 BGIDRN CC1CCN(C(=O)N2CCCCC[C@H]2C)CC1 ZINC000160592608 168173362 /nfs/dbraw/zinc/17/33/62/168173362.db2.gz ICOPIKAQBHJICV-CYBMUJFWSA-N 0 0 238.375 3.103 20 70 BGIDRN CCC[C@H](C(=O)NCc1ccccc1)C(C)C ZINC000160596985 323073335 /nfs/dbraw/zinc/07/33/35/323073335.db2.gz LVFFYUQZSXHTLO-AWEZNQCLSA-N 0 0 233.355 3.375 20 70 BGIDRN CCC[C@@H](C(=O)NCc1ccccc1)C(C)C ZINC000160597090 323073388 /nfs/dbraw/zinc/07/33/88/323073388.db2.gz LVFFYUQZSXHTLO-CQSZACIVSA-N 0 0 233.355 3.375 20 70 BGIDRN CCCC1(CNC(=O)CCCCSC)CC1 ZINC000160599322 323073304 /nfs/dbraw/zinc/07/33/04/323073304.db2.gz QOHYSWLTMUSXQV-UHFFFAOYSA-N 0 0 243.416 3.216 20 70 BGIDRN CCC(CC)CNC(=O)N(CC)[C@@H](C)C(C)C ZINC000160601213 323073412 /nfs/dbraw/zinc/07/34/12/323073412.db2.gz IQFYFKRZXYFIDC-LBPRGKRZSA-N 0 0 242.407 3.499 20 70 BGIDRN CCC(CC)CNC(=O)N(CC)[C@H](C)C(C)C ZINC000160601345 323073330 /nfs/dbraw/zinc/07/33/30/323073330.db2.gz IQFYFKRZXYFIDC-GFCCVEGCSA-N 0 0 242.407 3.499 20 70 BGIDRN CCSc1cccc(C(=O)N2CCCC2)c1 ZINC000160603094 170656254 /nfs/dbraw/zinc/65/62/54/170656254.db2.gz XWSJUBNALQZLBS-UHFFFAOYSA-N 0 0 235.352 3.035 20 70 BGIDRN CC(C)OCCNc1nccc2ccccc21 ZINC000160603759 357120734 /nfs/dbraw/zinc/12/07/34/357120734.db2.gz BHOLGVCUYFMWRE-UHFFFAOYSA-N 0 0 230.311 3.072 20 70 BGIDRN CCN(C)C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000160603998 349265171 /nfs/dbraw/zinc/26/51/71/349265171.db2.gz HPSCEOSERIVSSJ-LBPRGKRZSA-N 0 0 240.391 3.206 20 70 BGIDRN CCN(C)C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000160604115 349265326 /nfs/dbraw/zinc/26/53/26/349265326.db2.gz HPSCEOSERIVSSJ-GFCCVEGCSA-N 0 0 240.391 3.206 20 70 BGIDRN CCC(CC)CNC(=O)N(C)C1CCCCC1 ZINC000160604476 323073619 /nfs/dbraw/zinc/07/36/19/323073619.db2.gz MLBVSCKMMBUKMF-UHFFFAOYSA-N 0 0 240.391 3.397 20 70 BGIDRN CC[C@@H](C)C(=O)Nc1cccc(OCCF)c1 ZINC000160608523 323073632 /nfs/dbraw/zinc/07/36/32/323073632.db2.gz VRBAMYUHTSPNLE-SNVBAGLBSA-N 0 0 239.290 3.020 20 70 BGIDRN CC[C@H](C)C(=O)Nc1cccc(OCCF)c1 ZINC000160608649 323073671 /nfs/dbraw/zinc/07/36/71/323073671.db2.gz VRBAMYUHTSPNLE-JTQLQIEISA-N 0 0 239.290 3.020 20 70 BGIDRN CC(C)n1cccc1C(=O)N(C)C1CCCCC1 ZINC000160609858 384421962 /nfs/dbraw/zinc/42/19/62/384421962.db2.gz IVRAHGJKVJYXOH-UHFFFAOYSA-N 0 0 248.370 3.474 20 70 BGIDRN CCCCN(CC)C(=O)c1ccc(C(C)C)nc1 ZINC000160610304 384423421 /nfs/dbraw/zinc/42/34/21/384423421.db2.gz RBXLWWXQSNQGHA-UHFFFAOYSA-N 0 0 248.370 3.467 20 70 BGIDRN CCCCN(CC)C(=O)/C=C/c1cncc(C)c1 ZINC000160611259 384423331 /nfs/dbraw/zinc/42/33/31/384423331.db2.gz ALRURZVGXJSAKC-BQYQJAHWSA-N 0 0 246.354 3.052 20 70 BGIDRN CC(C)n1cccc1C(=O)NC1CCCCC1 ZINC000160619969 384421737 /nfs/dbraw/zinc/42/17/37/384421737.db2.gz AFVQESWFRJDEHK-UHFFFAOYSA-N 0 0 234.343 3.132 20 70 BGIDRN COC(C)(C)CNc1nccc2ccccc21 ZINC000160620259 323073782 /nfs/dbraw/zinc/07/37/82/323073782.db2.gz VDXCYRIVAUDGPZ-UHFFFAOYSA-N 0 0 230.311 3.072 20 70 BGIDRN Cc1ccc(NC(=O)C2=C(C)OCCC2)c(F)c1 ZINC000160622787 168079335 /nfs/dbraw/zinc/07/93/35/168079335.db2.gz CNSXXVXLZAZEKT-UHFFFAOYSA-N 0 0 249.285 3.157 20 70 BGIDRN CCc1nnc(COc2cc(C)cc(C)c2C)o1 ZINC000160626516 172055841 /nfs/dbraw/zinc/05/58/41/172055841.db2.gz DYANFWLPLDPMRA-UHFFFAOYSA-N 0 0 246.310 3.136 20 70 BGIDRN Cc1cc(C(=O)N(C(C)C)C2CCC2)oc1C ZINC000160627048 323073968 /nfs/dbraw/zinc/07/39/68/323073968.db2.gz IWOLANITINFTPU-UHFFFAOYSA-N 0 0 235.327 3.300 20 70 BGIDRN Cc1ccc(F)c(NC(=O)C2=C(C)OCCC2)c1 ZINC000160628526 168079007 /nfs/dbraw/zinc/07/90/07/168079007.db2.gz MZKMHWFVTDATES-UHFFFAOYSA-N 0 0 249.285 3.157 20 70 BGIDRN CCC[C@H](C(=O)NCCc1ccccc1)C(C)C ZINC000160629389 323073967 /nfs/dbraw/zinc/07/39/67/323073967.db2.gz MNGRFVXXKVXPNZ-HNNXBMFYSA-N 0 0 247.382 3.418 20 70 BGIDRN CCC[C@@H](C(=O)NCCc1ccccc1)C(C)C ZINC000160629498 323074013 /nfs/dbraw/zinc/07/40/13/323074013.db2.gz MNGRFVXXKVXPNZ-OAHLLOKOSA-N 0 0 247.382 3.418 20 70 BGIDRN CCCC1(CNC(=O)C[C@H]2C=CCC2)CC1 ZINC000160637507 323074064 /nfs/dbraw/zinc/07/40/64/323074064.db2.gz OAOTXWWJPBPTFZ-LBPRGKRZSA-N 0 0 221.344 3.039 20 70 BGIDRN CCCC1(CNC(=O)C[C@@H]2C=CCC2)CC1 ZINC000160637642 323074042 /nfs/dbraw/zinc/07/40/42/323074042.db2.gz OAOTXWWJPBPTFZ-GFCCVEGCSA-N 0 0 221.344 3.039 20 70 BGIDRN CCCc1csc(N2CCC(C)CC2)n1 ZINC000160642661 357155528 /nfs/dbraw/zinc/15/55/28/357155528.db2.gz MXJNCJAPUBHGOM-UHFFFAOYSA-N 0 0 224.373 3.332 20 70 BGIDRN COc1ccc(OCc2nc(C)cs2)cc1 ZINC000160643104 175173193 /nfs/dbraw/zinc/17/31/93/175173193.db2.gz VRSCVAQNUJAWDO-UHFFFAOYSA-N 0 0 235.308 3.039 20 70 BGIDRN CS[C@@H](C)CC(=O)Nc1c(F)cccc1F ZINC000160643405 384425925 /nfs/dbraw/zinc/42/59/25/384425925.db2.gz SFELHPQCEXLSHD-ZETCQYMHSA-N 0 0 245.294 3.045 20 70 BGIDRN CS[C@H](C)CC(=O)Nc1c(F)cccc1F ZINC000160643537 384426979 /nfs/dbraw/zinc/42/69/79/384426979.db2.gz SFELHPQCEXLSHD-SSDOTTSWSA-N 0 0 245.294 3.045 20 70 BGIDRN CC(C)(C)C(=O)Nc1cccc(OCCF)c1 ZINC000160643822 323074712 /nfs/dbraw/zinc/07/47/12/323074712.db2.gz GYUQHZBRVQNWGT-UHFFFAOYSA-N 0 0 239.290 3.020 20 70 BGIDRN Cc1csc(-c2cnn(-c3ccccc3)c2)n1 ZINC000160645553 357156316 /nfs/dbraw/zinc/15/63/16/357156316.db2.gz XAJHJOXSLOVSCC-UHFFFAOYSA-N 0 0 241.319 3.304 20 70 BGIDRN COc1ccc(Nc2nc(C)cs2)cc1F ZINC000160647857 323074480 /nfs/dbraw/zinc/07/44/80/323074480.db2.gz SEBHEULKRUNNMY-UHFFFAOYSA-N 0 0 238.287 3.343 20 70 BGIDRN CCC(CC)C(=O)NCCCSCC(C)C ZINC000160651154 323074578 /nfs/dbraw/zinc/07/45/78/323074578.db2.gz GMRFZKSJTPHHEL-UHFFFAOYSA-N 0 0 245.432 3.318 20 70 BGIDRN CC[C@H]([NH2+]CCCOC)c1ccc(F)cc1F ZINC000160653674 384427037 /nfs/dbraw/zinc/42/70/37/384427037.db2.gz MAUGTQKJJVAMME-ZDUSSCGKSA-N 0 0 243.297 3.042 20 70 BGIDRN CC[C@@H]([NH2+]CCCOC)c1ccc(F)cc1F ZINC000160653788 384426223 /nfs/dbraw/zinc/42/62/23/384426223.db2.gz MAUGTQKJJVAMME-CYBMUJFWSA-N 0 0 243.297 3.042 20 70 BGIDRN CC[C@H]([NH2+][C@@H](C)COC)c1ccc(F)cc1F ZINC000160656861 384426534 /nfs/dbraw/zinc/42/65/34/384426534.db2.gz HIDOWTGUBAIIRZ-ZANVPECISA-N 0 0 243.297 3.040 20 70 BGIDRN CC[C@H]([NH2+][C@H](C)COC)c1ccc(F)cc1F ZINC000160657104 384426681 /nfs/dbraw/zinc/42/66/81/384426681.db2.gz HIDOWTGUBAIIRZ-RNCFNFMXSA-N 0 0 243.297 3.040 20 70 BGIDRN C[C@@H](c1ccco1)N(C(=O)[C@@H]1CC1(C)C)C1CC1 ZINC000160665775 176030856 /nfs/dbraw/zinc/03/08/56/176030856.db2.gz VDZGSCVWVXUBHC-JQWIXIFHSA-N 0 0 247.338 3.378 20 70 BGIDRN C[C@H](c1ccco1)N(C(=O)[C@@H]1CC1(C)C)C1CC1 ZINC000160665891 177046749 /nfs/dbraw/zinc/04/67/49/177046749.db2.gz VDZGSCVWVXUBHC-PWSUYJOCSA-N 0 0 247.338 3.378 20 70 BGIDRN C[C@@H](c1ccco1)N(C(=O)[C@H]1CC1(C)C)C1CC1 ZINC000160666010 176030630 /nfs/dbraw/zinc/03/06/30/176030630.db2.gz VDZGSCVWVXUBHC-CMPLNLGQSA-N 0 0 247.338 3.378 20 70 BGIDRN C[C@H](c1ccco1)N(C(=O)[C@H]1CC1(C)C)C1CC1 ZINC000160666151 177045927 /nfs/dbraw/zinc/04/59/27/177045927.db2.gz VDZGSCVWVXUBHC-ZYHUDNBSSA-N 0 0 247.338 3.378 20 70 BGIDRN CCCCC(=O)Nc1cccc(OCCF)c1 ZINC000160668159 323101151 /nfs/dbraw/zinc/10/11/51/323101151.db2.gz QWFBWWUBGJZWIR-UHFFFAOYSA-N 0 0 239.290 3.164 20 70 BGIDRN CC(C)n1ccnc1CN(C)c1ccccc1 ZINC000160672250 385703358 /nfs/dbraw/zinc/70/33/58/385703358.db2.gz UKGURWLGGGQJHT-UHFFFAOYSA-N 0 0 229.327 3.100 20 70 BGIDRN Cc1cc(C(=O)N(C2CC2)C2CCCC2)oc1C ZINC000160676605 323102637 /nfs/dbraw/zinc/10/26/37/323102637.db2.gz SNFZQPWCQBBTDF-UHFFFAOYSA-N 0 0 247.338 3.444 20 70 BGIDRN CC(C)CSCCCNC(=O)C1(C)CCC1 ZINC000160684375 323075540 /nfs/dbraw/zinc/07/55/40/323075540.db2.gz KDPDMZCILZIQPA-UHFFFAOYSA-N 0 0 243.416 3.072 20 70 BGIDRN CC(C)c1ccc([C@@H]2CCCCN2C(N)=O)cc1 ZINC000160686680 397771598 /nfs/dbraw/zinc/77/15/98/397771598.db2.gz JETRPJRPOXVCPD-AWEZNQCLSA-N 0 0 246.354 3.416 20 70 BGIDRN CC(C)c1ccc([C@H]2CCCCN2C(N)=O)cc1 ZINC000160686810 397771845 /nfs/dbraw/zinc/77/18/45/397771845.db2.gz JETRPJRPOXVCPD-CQSZACIVSA-N 0 0 246.354 3.416 20 70 BGIDRN CC(C)n1cccc1C(=O)Nc1ccccc1 ZINC000160688475 323103224 /nfs/dbraw/zinc/10/32/24/323103224.db2.gz RQTSYBOCZOHJSJ-UHFFFAOYSA-N 0 0 228.295 3.321 20 70 BGIDRN Cc1[nH]nc(C(C)C)c1C(=O)Nc1ccsc1 ZINC000160689372 323103293 /nfs/dbraw/zinc/10/32/93/323103293.db2.gz KMSRYHWHWNPUEE-UHFFFAOYSA-N 0 0 249.339 3.155 20 70 BGIDRN CCCC[C@H](SC1CCCC1)C(=O)OC ZINC000160690320 388084901 /nfs/dbraw/zinc/08/49/01/388084901.db2.gz UFPPGKGPDHSWCU-NSHDSACASA-N 0 0 230.373 3.394 20 70 BGIDRN CCCC[C@@H](SC1CCCC1)C(=O)OC ZINC000160690419 388084591 /nfs/dbraw/zinc/08/45/91/388084591.db2.gz UFPPGKGPDHSWCU-LLVKDONJSA-N 0 0 230.373 3.394 20 70 BGIDRN CCCC[C@H](SCC(C)C)C(=O)OC ZINC000160690544 388084944 /nfs/dbraw/zinc/08/49/44/388084944.db2.gz CIGRDPCIARTTQW-JTQLQIEISA-N 0 0 218.362 3.107 20 70 BGIDRN CCCC[C@@H](SCC(C)C)C(=O)OC ZINC000160690680 201731151 /nfs/dbraw/zinc/73/11/51/201731151.db2.gz CIGRDPCIARTTQW-SNVBAGLBSA-N 0 0 218.362 3.107 20 70 BGIDRN CCN(C)C(=O)N(CCC(C)C)C1CCCC1 ZINC000160692608 388084506 /nfs/dbraw/zinc/08/45/06/388084506.db2.gz IQMLRYGVLHLYME-UHFFFAOYSA-N 0 0 240.391 3.349 20 70 BGIDRN C[C@@H](CO)SCc1ccc(F)cc1Cl ZINC000160709165 384460346 /nfs/dbraw/zinc/46/03/46/384460346.db2.gz UBVIQKXKZKBEPL-ZETCQYMHSA-N 0 0 234.723 3.093 20 70 BGIDRN C[C@H](CO)SCc1ccc(F)cc1Cl ZINC000160709301 176708574 /nfs/dbraw/zinc/70/85/74/176708574.db2.gz UBVIQKXKZKBEPL-SSDOTTSWSA-N 0 0 234.723 3.093 20 70 BGIDRN CC(C)CSCCCNC(=O)CCC1CC1 ZINC000160709596 323075580 /nfs/dbraw/zinc/07/55/80/323075580.db2.gz GCEUAGJAIDBYKY-UHFFFAOYSA-N 0 0 243.416 3.072 20 70 BGIDRN CCc1cccc(CC(=O)N2CC[C@H](C)[C@@H]2C)c1 ZINC000160710074 323103776 /nfs/dbraw/zinc/10/37/76/323103776.db2.gz BLZSEHNEYOANDY-STQMWFEESA-N 0 0 245.366 3.048 20 70 BGIDRN CCc1cccc(CC(=O)N2CC[C@@H](C)[C@@H]2C)c1 ZINC000160710203 323103780 /nfs/dbraw/zinc/10/37/80/323103780.db2.gz BLZSEHNEYOANDY-OLZOCXBDSA-N 0 0 245.366 3.048 20 70 BGIDRN CCc1cccc(CC(=O)N2CC[C@H](C)[C@H]2C)c1 ZINC000160710330 323103743 /nfs/dbraw/zinc/10/37/43/323103743.db2.gz BLZSEHNEYOANDY-QWHCGFSZSA-N 0 0 245.366 3.048 20 70 BGIDRN CCc1cccc(CC(=O)N2CC[C@@H](C)[C@H]2C)c1 ZINC000160710468 323103751 /nfs/dbraw/zinc/10/37/51/323103751.db2.gz BLZSEHNEYOANDY-CHWSQXEVSA-N 0 0 245.366 3.048 20 70 BGIDRN CC1(C)C[C@H](Nc2nccc3occc32)CCO1 ZINC000160717311 384430696 /nfs/dbraw/zinc/43/06/96/384430696.db2.gz SRDSDENIQYVKQQ-SNVBAGLBSA-N 0 0 246.310 3.197 20 70 BGIDRN CC1(C)C[C@@H](Nc2nccc3occc32)CCO1 ZINC000160717448 346463128 /nfs/dbraw/zinc/46/31/28/346463128.db2.gz SRDSDENIQYVKQQ-JTQLQIEISA-N 0 0 246.310 3.197 20 70 BGIDRN CC1(C)CCC[C@H](NC(=O)NC2CCCC2)C1 ZINC000160720488 349313546 /nfs/dbraw/zinc/31/35/46/349313546.db2.gz FFPOVLDCSMVJIA-LBPRGKRZSA-N 0 0 238.375 3.197 20 70 BGIDRN CC1(C)CCC[C@@H](NC(=O)NC2CCCC2)C1 ZINC000160720607 133509834 /nfs/dbraw/zinc/50/98/34/133509834.db2.gz FFPOVLDCSMVJIA-GFCCVEGCSA-N 0 0 238.375 3.197 20 70 BGIDRN Fc1ccc2oc(N[C@H]3C=CCCC3)nc2c1 ZINC000160720858 180993182 /nfs/dbraw/zinc/99/31/82/180993182.db2.gz NHBJRUGLIQYATO-JTQLQIEISA-N 0 0 232.258 3.488 20 70 BGIDRN Fc1ccc2oc(N[C@@H]3C=CCCC3)nc2c1 ZINC000160720998 387110194 /nfs/dbraw/zinc/11/01/94/387110194.db2.gz NHBJRUGLIQYATO-SNVBAGLBSA-N 0 0 232.258 3.488 20 70 BGIDRN CCCC1(CNC(=O)C2(CC)CCC2)CC1 ZINC000160725027 323103940 /nfs/dbraw/zinc/10/39/40/323103940.db2.gz FBIKNPKSQMEJHV-UHFFFAOYSA-N 0 0 223.360 3.263 20 70 BGIDRN CC(C)c1nccc(N[C@H]2C=CCCC2)n1 ZINC000160726328 388085976 /nfs/dbraw/zinc/08/59/76/388085976.db2.gz FJBGXHDGGFYUMP-NSHDSACASA-N 0 0 217.316 3.121 20 70 BGIDRN CC(C)c1nccc(N[C@@H]2C=CCCC2)n1 ZINC000160726459 388085959 /nfs/dbraw/zinc/08/59/59/388085959.db2.gz FJBGXHDGGFYUMP-LLVKDONJSA-N 0 0 217.316 3.121 20 70 BGIDRN CCCC1(CNC(=O)C(C)(C)CC)CC1 ZINC000160726641 323103864 /nfs/dbraw/zinc/10/38/64/323103864.db2.gz FTHXSRQSWAUUGH-UHFFFAOYSA-N 0 0 211.349 3.119 20 70 BGIDRN C[C@@H](CO)SCc1c(F)cccc1Cl ZINC000160731748 388086733 /nfs/dbraw/zinc/08/67/33/388086733.db2.gz MLJXHHRACGTRBG-ZETCQYMHSA-N 0 0 234.723 3.093 20 70 BGIDRN C[C@H](CO)SCc1c(F)cccc1Cl ZINC000160731886 388086790 /nfs/dbraw/zinc/08/67/90/388086790.db2.gz MLJXHHRACGTRBG-SSDOTTSWSA-N 0 0 234.723 3.093 20 70 BGIDRN CCCCN(CC)C(=O)[C@@H]1C[C@@]1(C)CC ZINC000160735532 323104303 /nfs/dbraw/zinc/10/43/03/323104303.db2.gz KXJAKKRLKZVMEU-WCQYABFASA-N 0 0 211.349 3.071 20 70 BGIDRN CCCCN(CC)C(=O)[C@H]1C[C@@]1(C)CC ZINC000160735640 323104275 /nfs/dbraw/zinc/10/42/75/323104275.db2.gz KXJAKKRLKZVMEU-DGCLKSJQSA-N 0 0 211.349 3.071 20 70 BGIDRN CN(C(=O)C1CCC(C)(C)CC1)C1CCC1 ZINC000160735733 323104305 /nfs/dbraw/zinc/10/43/05/323104305.db2.gz XXVZFVCDAWWDMH-UHFFFAOYSA-N 0 0 223.360 3.214 20 70 BGIDRN CCCCN(CC)C(=O)[C@@H]1C[C@]1(C)CC ZINC000160735756 323104280 /nfs/dbraw/zinc/10/42/80/323104280.db2.gz KXJAKKRLKZVMEU-AAEUAGOBSA-N 0 0 211.349 3.071 20 70 BGIDRN CCCCN(CC)C(=O)[C@H]1C[C@]1(C)CC ZINC000160735861 323104304 /nfs/dbraw/zinc/10/43/04/323104304.db2.gz KXJAKKRLKZVMEU-YPMHNXCESA-N 0 0 211.349 3.071 20 70 BGIDRN Cc1cc(C)c(CS[C@@H](C)CO)c(C)c1 ZINC000160740176 388086873 /nfs/dbraw/zinc/08/68/73/388086873.db2.gz CZBYUQZGFKTVFY-LBPRGKRZSA-N 0 0 224.369 3.226 20 70 BGIDRN Cc1cc(C)c(CS[C@H](C)CO)c(C)c1 ZINC000160740285 384429781 /nfs/dbraw/zinc/42/97/81/384429781.db2.gz CZBYUQZGFKTVFY-GFCCVEGCSA-N 0 0 224.369 3.226 20 70 BGIDRN C[C@@H](CO)SCc1csc(C(C)(C)C)n1 ZINC000160741716 534135253 /nfs/dbraw/zinc/13/52/53/534135253.db2.gz NATJNKBNPOXGMW-QMMMGPOBSA-N 0 0 245.413 3.055 20 70 BGIDRN C[C@H](CO)SCc1csc(C(C)(C)C)n1 ZINC000160741886 388086787 /nfs/dbraw/zinc/08/67/87/388086787.db2.gz NATJNKBNPOXGMW-MRVPVSSYSA-N 0 0 245.413 3.055 20 70 BGIDRN CCC(C)(C)C(=O)NCCCSCC(C)C ZINC000160753600 323105960 /nfs/dbraw/zinc/10/59/60/323105960.db2.gz SSMOYKIOBGZIQM-UHFFFAOYSA-N 0 0 245.432 3.318 20 70 BGIDRN CCCCN(C)C(=O)c1ccccc1CC ZINC000160757979 384432931 /nfs/dbraw/zinc/43/29/31/384432931.db2.gz MGKLUZHEYKEINU-UHFFFAOYSA-N 0 0 219.328 3.121 20 70 BGIDRN CC(C)CC1(C(=O)NC2CC=CC2)CCCC1 ZINC000160763736 538905883 /nfs/dbraw/zinc/90/58/83/538905883.db2.gz MZHAMZLCHWWZHK-UHFFFAOYSA-N 0 0 235.371 3.428 20 70 BGIDRN CCCC[C@@H](CC)CS[C@@H](C)CO ZINC000160767036 388088213 /nfs/dbraw/zinc/08/82/13/388088213.db2.gz RUCMEPRKKVRNDV-WDEREUQCSA-N 0 0 204.379 3.317 20 70 BGIDRN CCCC[C@H](CC)CS[C@@H](C)CO ZINC000160767188 388087899 /nfs/dbraw/zinc/08/78/99/388087899.db2.gz RUCMEPRKKVRNDV-QWRGUYRKSA-N 0 0 204.379 3.317 20 70 BGIDRN CCCC[C@@H](CC)CS[C@H](C)CO ZINC000160767311 259309091 /nfs/dbraw/zinc/30/90/91/259309091.db2.gz RUCMEPRKKVRNDV-GHMZBOCLSA-N 0 0 204.379 3.317 20 70 BGIDRN CCCC[C@H](CC)CS[C@H](C)CO ZINC000160767431 388088064 /nfs/dbraw/zinc/08/80/64/388088064.db2.gz RUCMEPRKKVRNDV-MNOVXSKESA-N 0 0 204.379 3.317 20 70 BGIDRN CCCN(CCC)C(=O)c1ccc(C(C)C)nc1 ZINC000160768758 169145580 /nfs/dbraw/zinc/14/55/80/169145580.db2.gz MFRMNHFZEGBVAD-UHFFFAOYSA-N 0 0 248.370 3.467 20 70 BGIDRN CCCCC(=O)NCCCSCC(C)C ZINC000160769810 386760198 /nfs/dbraw/zinc/76/01/98/386760198.db2.gz PNTCDBJDONQVGM-UHFFFAOYSA-N 0 0 231.405 3.072 20 70 BGIDRN CCCN(CCC)C(=O)/C=C/c1cncc(C)c1 ZINC000160769851 169139381 /nfs/dbraw/zinc/13/93/81/169139381.db2.gz PVRFRRORRVPSNU-VOTSOKGWSA-N 0 0 246.354 3.052 20 70 BGIDRN CCN(CC)C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000160770914 323134723 /nfs/dbraw/zinc/13/47/23/323134723.db2.gz HRDJPHFZZIKFIV-UHFFFAOYSA-N 0 0 238.375 3.126 20 70 BGIDRN CSc1ccc(CS[C@@H](C)CO)cc1 ZINC000160776910 358485965 /nfs/dbraw/zinc/48/59/65/358485965.db2.gz WZMNFZXVASEBRZ-VIFPVBQESA-N 0 0 228.382 3.023 20 70 BGIDRN CSc1ccc(CS[C@H](C)CO)cc1 ZINC000160777070 358485890 /nfs/dbraw/zinc/48/58/90/358485890.db2.gz WZMNFZXVASEBRZ-SECBINFHSA-N 0 0 228.382 3.023 20 70 BGIDRN CCCC1(CNC(=O)c2cscc2C)CC1 ZINC000160783445 384436397 /nfs/dbraw/zinc/43/63/97/384436397.db2.gz VOZAAOLKNWMZJZ-UHFFFAOYSA-N 0 0 237.368 3.367 20 70 BGIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CCSC ZINC000160784802 323135352 /nfs/dbraw/zinc/13/53/52/323135352.db2.gz XSPRMCWOIZWMFR-NEPJUHHUSA-N 0 0 243.416 3.167 20 70 BGIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)CCSC ZINC000160784920 323135260 /nfs/dbraw/zinc/13/52/60/323135260.db2.gz XSPRMCWOIZWMFR-RYUDHWBXSA-N 0 0 243.416 3.167 20 70 BGIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)CCSC ZINC000160785060 323135383 /nfs/dbraw/zinc/13/53/83/323135383.db2.gz XSPRMCWOIZWMFR-VXGBXAGGSA-N 0 0 243.416 3.167 20 70 BGIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)CCSC ZINC000160785190 323135259 /nfs/dbraw/zinc/13/52/59/323135259.db2.gz XSPRMCWOIZWMFR-NWDGAFQWSA-N 0 0 243.416 3.167 20 70 BGIDRN C/C=C(/C=C/C(=O)Nc1ccnn1CCC)CC ZINC000160787990 323135507 /nfs/dbraw/zinc/13/55/07/323135507.db2.gz XJYUNSBIBUFJKT-FUSVFIKZSA-N 0 0 247.342 3.144 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)Nc1c(C)cc(C)nc1C ZINC000160788709 323135442 /nfs/dbraw/zinc/13/54/42/323135442.db2.gz CYKQWAHHRIGVNJ-IUODEOHRSA-N 0 0 246.354 3.382 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1c(C)cc(C)nc1C ZINC000160788848 323135504 /nfs/dbraw/zinc/13/55/04/323135504.db2.gz CYKQWAHHRIGVNJ-DOMZBBRYSA-N 0 0 246.354 3.382 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)Nc1c(C)cc(C)nc1C ZINC000160788980 323135434 /nfs/dbraw/zinc/13/54/34/323135434.db2.gz CYKQWAHHRIGVNJ-SWLSCSKDSA-N 0 0 246.354 3.382 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)Nc1c(C)cc(C)nc1C ZINC000160789103 323135470 /nfs/dbraw/zinc/13/54/70/323135470.db2.gz CYKQWAHHRIGVNJ-WFASDCNBSA-N 0 0 246.354 3.382 20 70 BGIDRN CC(C)CC1(C(=O)NC2CC=CC2)CCC1 ZINC000160797460 566324873 /nfs/dbraw/zinc/32/48/73/566324873.db2.gz UWBVTILZVRIPQA-UHFFFAOYSA-N 0 0 221.344 3.038 20 70 BGIDRN CCCCNC(=O)N1CC=C(C(C)(C)C)CC1 ZINC000160800952 538912927 /nfs/dbraw/zinc/91/29/27/538912927.db2.gz LHMAFYQHPGGYIK-UHFFFAOYSA-N 0 0 238.375 3.174 20 70 BGIDRN CC(C)(C)NC(=O)N1CC=C(C(C)(C)C)CC1 ZINC000160801242 388091618 /nfs/dbraw/zinc/09/16/18/388091618.db2.gz DNMFETJHSUUGRK-UHFFFAOYSA-N 0 0 238.375 3.173 20 70 BGIDRN CCCCCC(=O)N1CCc2c(F)cccc2C1 ZINC000160805583 168635924 /nfs/dbraw/zinc/63/59/24/168635924.db2.gz MCMRYQPMGOSSDN-UHFFFAOYSA-N 0 0 249.329 3.291 20 70 BGIDRN CC[C@@H](CC1CCCC1)C(=O)NC1CC=CC1 ZINC000160805712 538912966 /nfs/dbraw/zinc/91/29/66/538912966.db2.gz IILLVMGJUIHVCH-ZDUSSCGKSA-N 0 0 235.371 3.428 20 70 BGIDRN CC[C@H](CC1CCCC1)C(=O)NC1CC=CC1 ZINC000160805801 538912817 /nfs/dbraw/zinc/91/28/17/538912817.db2.gz IILLVMGJUIHVCH-CYBMUJFWSA-N 0 0 235.371 3.428 20 70 BGIDRN COc1cccc(Cn2cnc3ccccc32)c1 ZINC000160807408 388091632 /nfs/dbraw/zinc/09/16/32/388091632.db2.gz XEXNBKDTXPMADQ-UHFFFAOYSA-N 0 0 238.290 3.093 20 70 BGIDRN CC[C@@H]1CCCCCN1C(=O)NCC(C)C ZINC000160810518 323136191 /nfs/dbraw/zinc/13/61/91/323136191.db2.gz IVIQZZSCFGHWHR-GFCCVEGCSA-N 0 0 226.364 3.007 20 70 BGIDRN Cc1ccc(C(C)(C)C(=O)NC2CC=CC2)cc1 ZINC000160810564 538912718 /nfs/dbraw/zinc/91/27/18/538912718.db2.gz GHZAMFVKYQQXNO-UHFFFAOYSA-N 0 0 243.350 3.107 20 70 BGIDRN CC[C@H]1CCCCCN1C(=O)NCC(C)C ZINC000160810662 323136147 /nfs/dbraw/zinc/13/61/47/323136147.db2.gz IVIQZZSCFGHWHR-LBPRGKRZSA-N 0 0 226.364 3.007 20 70 BGIDRN CC(C)n1cccc1-c1nc(C(C)(C)C)no1 ZINC000160812602 384437546 /nfs/dbraw/zinc/43/75/46/384437546.db2.gz LABIKJQQNCCKCD-UHFFFAOYSA-N 0 0 233.315 3.417 20 70 BGIDRN CC(C)c1cc(-c2nc(C(C)(C)C)no2)no1 ZINC000160813714 384436741 /nfs/dbraw/zinc/43/67/41/384436741.db2.gz QWUAQZGUSPSDRM-UHFFFAOYSA-N 0 0 235.287 3.146 20 70 BGIDRN CN(Cc1ccn(C)c1)Cc1ccccc1Cl ZINC000160818670 323136374 /nfs/dbraw/zinc/13/63/74/323136374.db2.gz BIJVWSLEDQZXTF-UHFFFAOYSA-N 0 0 248.757 3.311 20 70 BGIDRN CC(C)N(C)C(=O)C1(Cc2ccccc2)CCC1 ZINC000160821855 188334426 /nfs/dbraw/zinc/33/44/26/188334426.db2.gz ZPGWCTPWNMKCGM-UHFFFAOYSA-N 0 0 245.366 3.266 20 70 BGIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H](C)C1CC1 ZINC000160825088 323136641 /nfs/dbraw/zinc/13/66/41/323136641.db2.gz QHNRYRKGBHSZRR-SCRDCRAPSA-N 0 0 237.387 3.460 20 70 BGIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H](C)C1CC1 ZINC000160825379 323136723 /nfs/dbraw/zinc/13/67/23/323136723.db2.gz QHNRYRKGBHSZRR-OUCADQQQSA-N 0 0 237.387 3.460 20 70 BGIDRN Cc1n[nH]cc1CN(C)Cc1ccccc1Cl ZINC000160825709 384441314 /nfs/dbraw/zinc/44/13/14/384441314.db2.gz NNXIGVCBHPEGDY-UHFFFAOYSA-N 0 0 249.745 3.004 20 70 BGIDRN CCCN(CC1CC1)C(=O)[C@@H]1C[C@@]1(C)CC ZINC000160829389 323136649 /nfs/dbraw/zinc/13/66/49/323136649.db2.gz WFIPWXODXJRGAR-GXTWGEPZSA-N 0 0 223.360 3.071 20 70 BGIDRN CCCN(CC1CC1)C(=O)[C@H]1C[C@@]1(C)CC ZINC000160829523 323136749 /nfs/dbraw/zinc/13/67/49/323136749.db2.gz WFIPWXODXJRGAR-TZMCWYRMSA-N 0 0 223.360 3.071 20 70 BGIDRN CCCN(CC1CC1)C(=O)[C@@H]1C[C@]1(C)CC ZINC000160829653 323136726 /nfs/dbraw/zinc/13/67/26/323136726.db2.gz WFIPWXODXJRGAR-JSGCOSHPSA-N 0 0 223.360 3.071 20 70 BGIDRN CCCN(CC1CC1)C(=O)[C@H]1C[C@]1(C)CC ZINC000160829802 323136724 /nfs/dbraw/zinc/13/67/24/323136724.db2.gz WFIPWXODXJRGAR-OCCSQVGLSA-N 0 0 223.360 3.071 20 70 BGIDRN CCC[C@H](C(=O)N(C)Cc1ccco1)C(C)C ZINC000160830716 323136739 /nfs/dbraw/zinc/13/67/39/323136739.db2.gz RQXRYRXNFSDCES-ZDUSSCGKSA-N 0 0 237.343 3.310 20 70 BGIDRN CCC[C@@H](C(=O)N(C)Cc1ccco1)C(C)C ZINC000160830870 323136673 /nfs/dbraw/zinc/13/66/73/323136673.db2.gz RQXRYRXNFSDCES-CYBMUJFWSA-N 0 0 237.343 3.310 20 70 BGIDRN CC(C)Cc1noc(-c2cc(C(C)C)on2)n1 ZINC000160841520 188159203 /nfs/dbraw/zinc/15/92/03/188159203.db2.gz XVUWIXWWXUHPKN-UHFFFAOYSA-N 0 0 235.287 3.047 20 70 BGIDRN CCCC[C@@H](CC)C(=O)NC1CC=CC1 ZINC000160845713 538913034 /nfs/dbraw/zinc/91/30/34/538913034.db2.gz PEZGRPOEPZYSEW-LLVKDONJSA-N 0 0 209.333 3.038 20 70 BGIDRN CCCC[C@H](CC)C(=O)NC1CC=CC1 ZINC000160845834 566325683 /nfs/dbraw/zinc/32/56/83/566325683.db2.gz PEZGRPOEPZYSEW-NSHDSACASA-N 0 0 209.333 3.038 20 70 BGIDRN CCc1ccc(CN(C)Cc2ccc(C)o2)o1 ZINC000160857309 323137022 /nfs/dbraw/zinc/13/70/22/323137022.db2.gz ITQOJWBWWIYBDB-UHFFFAOYSA-N 0 0 233.311 3.375 20 70 BGIDRN CCCCCCC(=O)Nc1cccc(F)n1 ZINC000160864470 388094897 /nfs/dbraw/zinc/09/48/97/388094897.db2.gz OHPREASHMLZWBL-UHFFFAOYSA-N 0 0 224.279 3.130 20 70 BGIDRN CCSc1cccc(-c2nc(C)no2)c1 ZINC000160865912 350867311 /nfs/dbraw/zinc/86/73/11/350867311.db2.gz WUWZPHBKMMCWBW-UHFFFAOYSA-N 0 0 220.297 3.157 20 70 BGIDRN Cc1ccc(CN(C)Cc2occc2C)o1 ZINC000160867782 384441998 /nfs/dbraw/zinc/44/19/98/384441998.db2.gz DHOVCUXKIXSXOF-UHFFFAOYSA-N 0 0 219.284 3.121 20 70 BGIDRN CC[C@H](C(=O)NC1CC=CC1)c1ccccc1 ZINC000160868831 538913237 /nfs/dbraw/zinc/91/32/37/538913237.db2.gz DWCWJWKGOAOVPT-AWEZNQCLSA-N 0 0 229.323 3.015 20 70 BGIDRN CC[C@@H](C(=O)NC1CC=CC1)c1ccccc1 ZINC000160868973 538913252 /nfs/dbraw/zinc/91/32/52/538913252.db2.gz DWCWJWKGOAOVPT-CQSZACIVSA-N 0 0 229.323 3.015 20 70 BGIDRN CC(C)n1ccnc1CN(C)[C@@H](C)c1ccco1 ZINC000160869149 388096376 /nfs/dbraw/zinc/09/63/76/388096376.db2.gz CZFIHDJNTCAPFX-LBPRGKRZSA-N 0 0 247.342 3.250 20 70 BGIDRN CC(C)n1ccnc1CN(C)[C@H](C)c1ccco1 ZINC000160869278 388097029 /nfs/dbraw/zinc/09/70/29/388097029.db2.gz CZFIHDJNTCAPFX-GFCCVEGCSA-N 0 0 247.342 3.250 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000160885288 349334717 /nfs/dbraw/zinc/33/47/17/349334717.db2.gz QWEMYEOHKVRMPM-GFQSEFKGSA-N 0 0 223.360 3.212 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000160885379 323137579 /nfs/dbraw/zinc/13/75/79/323137579.db2.gz QWEMYEOHKVRMPM-CZXHOFHRSA-N 0 0 223.360 3.212 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000160885517 349334580 /nfs/dbraw/zinc/33/45/80/349334580.db2.gz QWEMYEOHKVRMPM-KZVDOYCCSA-N 0 0 223.360 3.212 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000160885644 323137591 /nfs/dbraw/zinc/13/75/91/323137591.db2.gz QWEMYEOHKVRMPM-OPDFLTKYSA-N 0 0 223.360 3.212 20 70 BGIDRN CCCN(CCC)C(=O)[C@@H]1C[C@@]1(C)CC ZINC000160886624 323137582 /nfs/dbraw/zinc/13/75/82/323137582.db2.gz PXBVOSXPAGBMMV-WCQYABFASA-N 0 0 211.349 3.071 20 70 BGIDRN CCCN(CCC)C(=O)[C@H]1C[C@@]1(C)CC ZINC000160886748 323137707 /nfs/dbraw/zinc/13/77/07/323137707.db2.gz PXBVOSXPAGBMMV-DGCLKSJQSA-N 0 0 211.349 3.071 20 70 BGIDRN CCCN(CCC)C(=O)[C@@H]1C[C@]1(C)CC ZINC000160886875 323137662 /nfs/dbraw/zinc/13/76/62/323137662.db2.gz PXBVOSXPAGBMMV-AAEUAGOBSA-N 0 0 211.349 3.071 20 70 BGIDRN CCCN(CCC)C(=O)[C@H]1C[C@]1(C)CC ZINC000160887004 323137610 /nfs/dbraw/zinc/13/76/10/323137610.db2.gz PXBVOSXPAGBMMV-YPMHNXCESA-N 0 0 211.349 3.071 20 70 BGIDRN O=C(NC1CC=CC1)C12CC3CC(CC(C3)C1)C2 ZINC000160904090 538913362 /nfs/dbraw/zinc/91/33/62/538913362.db2.gz KALOJCXWLQFUKN-UHFFFAOYSA-N 0 0 245.366 3.038 20 70 BGIDRN CC(C)(C)CC(=O)N1CCc2c(F)cccc2C1 ZINC000160916604 384446733 /nfs/dbraw/zinc/44/67/33/384446733.db2.gz IONYROHPUNHTIX-UHFFFAOYSA-N 0 0 249.329 3.147 20 70 BGIDRN O=C(CCCC1CCCC1)NC1CC=CC1 ZINC000160924985 538913244 /nfs/dbraw/zinc/91/32/44/538913244.db2.gz VLUZFQDYEZVLAX-UHFFFAOYSA-N 0 0 221.344 3.182 20 70 BGIDRN CC(C)c1ccc(C(=O)N2CCC[C@@H](C)C2)cn1 ZINC000160925148 384446966 /nfs/dbraw/zinc/44/69/66/384446966.db2.gz GRVBJXFAMHBGHW-GFCCVEGCSA-N 0 0 246.354 3.077 20 70 BGIDRN CC(C)c1ccc(C(=O)N2CCC[C@H](C)C2)cn1 ZINC000160925286 384446291 /nfs/dbraw/zinc/44/62/91/384446291.db2.gz GRVBJXFAMHBGHW-LBPRGKRZSA-N 0 0 246.354 3.077 20 70 BGIDRN Cc1ccc(C(=O)CC[N@H+](C)CCC2CC2)cc1 ZINC000160928503 388102895 /nfs/dbraw/zinc/10/28/95/388102895.db2.gz HFTHLBJYXADPJI-UHFFFAOYSA-N 0 0 245.366 3.300 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)NCc1cccc(C)c1 ZINC000160934698 323139478 /nfs/dbraw/zinc/13/94/78/323139478.db2.gz UXIKGMVZCTZBCJ-UKRRQHHQSA-N 0 0 231.339 3.047 20 70 BGIDRN CCCc1ccc(OCc2nnc(CC)o2)cc1 ZINC000160934847 169572257 /nfs/dbraw/zinc/57/22/57/169572257.db2.gz CQMWJBCIGXUBNG-UHFFFAOYSA-N 0 0 246.310 3.164 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)NCc1cccc(C)c1 ZINC000160934852 323139441 /nfs/dbraw/zinc/13/94/41/323139441.db2.gz UXIKGMVZCTZBCJ-HIFRSBDPSA-N 0 0 231.339 3.047 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)NCc1cccc(C)c1 ZINC000160934959 323139481 /nfs/dbraw/zinc/13/94/81/323139481.db2.gz UXIKGMVZCTZBCJ-DZGCQCFKSA-N 0 0 231.339 3.047 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)NCc1cccc(C)c1 ZINC000160935066 323139498 /nfs/dbraw/zinc/13/94/98/323139498.db2.gz UXIKGMVZCTZBCJ-ZFWWWQNUSA-N 0 0 231.339 3.047 20 70 BGIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccccn1 ZINC000160937094 323139434 /nfs/dbraw/zinc/13/94/34/323139434.db2.gz LDGDMNVPXPAZBL-OCCSQVGLSA-N 0 0 246.354 3.122 20 70 BGIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccccn1 ZINC000160937232 323139459 /nfs/dbraw/zinc/13/94/59/323139459.db2.gz LDGDMNVPXPAZBL-JSGCOSHPSA-N 0 0 246.354 3.122 20 70 BGIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccccn1 ZINC000160937357 323139472 /nfs/dbraw/zinc/13/94/72/323139472.db2.gz LDGDMNVPXPAZBL-TZMCWYRMSA-N 0 0 246.354 3.122 20 70 BGIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccccn1 ZINC000160937478 323139471 /nfs/dbraw/zinc/13/94/71/323139471.db2.gz LDGDMNVPXPAZBL-GXTWGEPZSA-N 0 0 246.354 3.122 20 70 BGIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C(C)C ZINC000160937623 323139426 /nfs/dbraw/zinc/13/94/26/323139426.db2.gz VVYZBYLHBBUSQU-NEPJUHHUSA-N 0 0 211.349 3.070 20 70 BGIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)C(C)C ZINC000160937759 323139444 /nfs/dbraw/zinc/13/94/44/323139444.db2.gz VVYZBYLHBBUSQU-RYUDHWBXSA-N 0 0 211.349 3.070 20 70 BGIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)C(C)C ZINC000160937891 323139532 /nfs/dbraw/zinc/13/95/32/323139532.db2.gz VVYZBYLHBBUSQU-VXGBXAGGSA-N 0 0 211.349 3.070 20 70 BGIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)C(C)C ZINC000160938020 323139446 /nfs/dbraw/zinc/13/94/46/323139446.db2.gz VVYZBYLHBBUSQU-NWDGAFQWSA-N 0 0 211.349 3.070 20 70 BGIDRN CS[C@H](C)CC(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000160938689 323139476 /nfs/dbraw/zinc/13/94/76/323139476.db2.gz GMYMRMBIWAUHMG-UTUOFQBUSA-N 0 0 243.416 3.071 20 70 BGIDRN CS[C@H](C)CC(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000160938826 323139452 /nfs/dbraw/zinc/13/94/52/323139452.db2.gz GMYMRMBIWAUHMG-TUAOUCFPSA-N 0 0 243.416 3.071 20 70 BGIDRN CS[C@H](C)CC(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000160938948 323139482 /nfs/dbraw/zinc/13/94/82/323139482.db2.gz GMYMRMBIWAUHMG-IJLUTSLNSA-N 0 0 243.416 3.071 20 70 BGIDRN CS[C@H](C)CC(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000160939081 323139438 /nfs/dbraw/zinc/13/94/38/323139438.db2.gz GMYMRMBIWAUHMG-QJPTWQEYSA-N 0 0 243.416 3.071 20 70 BGIDRN CCCC(=O)N(C)[C@@H]1CCCC[C@@H]1CC ZINC000160939521 323139454 /nfs/dbraw/zinc/13/94/54/323139454.db2.gz HHQLXWNXMUFCLS-NWDGAFQWSA-N 0 0 211.349 3.214 20 70 BGIDRN CCCC[C@@H](CCC)NC(=O)CO[C@@H](C)CC ZINC000160939630 323139507 /nfs/dbraw/zinc/13/95/07/323139507.db2.gz YNENLDUGHVFQOJ-QWHCGFSZSA-N 0 0 243.391 3.277 20 70 BGIDRN CCCC(=O)N(C)[C@H]1CCCC[C@@H]1CC ZINC000160939654 323075720 /nfs/dbraw/zinc/07/57/20/323075720.db2.gz HHQLXWNXMUFCLS-RYUDHWBXSA-N 0 0 211.349 3.214 20 70 BGIDRN CCCC[C@H](CCC)NC(=O)CO[C@@H](C)CC ZINC000160939767 323139497 /nfs/dbraw/zinc/13/94/97/323139497.db2.gz YNENLDUGHVFQOJ-STQMWFEESA-N 0 0 243.391 3.277 20 70 BGIDRN CCCC(=O)N(C)[C@@H]1CCCC[C@H]1CC ZINC000160939785 323139515 /nfs/dbraw/zinc/13/95/15/323139515.db2.gz HHQLXWNXMUFCLS-VXGBXAGGSA-N 0 0 211.349 3.214 20 70 BGIDRN CCCC(=O)N(C)[C@H]1CCCC[C@H]1CC ZINC000160939901 323139500 /nfs/dbraw/zinc/13/95/00/323139500.db2.gz HHQLXWNXMUFCLS-NEPJUHHUSA-N 0 0 211.349 3.214 20 70 BGIDRN CCCC[C@@H](CCC)NC(=O)CO[C@H](C)CC ZINC000160939911 323139538 /nfs/dbraw/zinc/13/95/38/323139538.db2.gz YNENLDUGHVFQOJ-CHWSQXEVSA-N 0 0 243.391 3.277 20 70 BGIDRN CCCC[C@H](CCC)NC(=O)CO[C@H](C)CC ZINC000160940041 323139445 /nfs/dbraw/zinc/13/94/45/323139445.db2.gz YNENLDUGHVFQOJ-OLZOCXBDSA-N 0 0 243.391 3.277 20 70 BGIDRN CS[C@H](C)CC(=O)NCC1CCC(C)CC1 ZINC000160941849 323139683 /nfs/dbraw/zinc/13/96/83/323139683.db2.gz LCHIXOJZMVTSSP-MOENNCHZSA-N 0 0 243.416 3.071 20 70 BGIDRN CS[C@@H](C)CC(=O)NCC1CCC(C)CC1 ZINC000160941976 323139696 /nfs/dbraw/zinc/13/96/96/323139696.db2.gz LCHIXOJZMVTSSP-CXQJBGSLSA-N 0 0 243.416 3.071 20 70 BGIDRN CC(C)(C)c1ccc(O)c(NC(=O)C2(C)CC2)c1 ZINC000160942926 323139682 /nfs/dbraw/zinc/13/96/82/323139682.db2.gz XRZVYEROLJLMPT-UHFFFAOYSA-N 0 0 247.338 3.428 20 70 BGIDRN CCCCN(C)C(=O)c1ccc(C(C)C)nc1 ZINC000160944936 384450584 /nfs/dbraw/zinc/45/05/84/384450584.db2.gz ZDIGKKHLJBDNSY-UHFFFAOYSA-N 0 0 234.343 3.077 20 70 BGIDRN CCc1oc(C(=O)Nc2ccccc2O)cc1C ZINC000160954933 323140077 /nfs/dbraw/zinc/14/00/77/323140077.db2.gz UUGAUGMBNUFXNL-UHFFFAOYSA-N 0 0 245.278 3.108 20 70 BGIDRN Cc1cc(NC(=O)C2(C)CC2)c2ccccc2n1 ZINC000160955517 538913256 /nfs/dbraw/zinc/91/32/56/538913256.db2.gz GHJVANRBXSUAAX-UHFFFAOYSA-N 0 0 240.306 3.282 20 70 BGIDRN CC(C)(C)C1=CCN(C(=O)c2ccco2)CC1 ZINC000160957864 385728908 /nfs/dbraw/zinc/72/89/08/385728908.db2.gz JYLPPEZXUVTXLS-UHFFFAOYSA-N 0 0 233.311 3.098 20 70 BGIDRN CCC[C@H](C(=O)Nc1nccs1)C(C)C ZINC000160958685 384451549 /nfs/dbraw/zinc/45/15/49/384451549.db2.gz FRNRYUQLVLZLIR-VIFPVBQESA-N 0 0 226.345 3.154 20 70 BGIDRN CCC[C@@H](C(=O)Nc1nccs1)C(C)C ZINC000160958809 169346591 /nfs/dbraw/zinc/34/65/91/169346591.db2.gz FRNRYUQLVLZLIR-SECBINFHSA-N 0 0 226.345 3.154 20 70 BGIDRN CC(C)(C)C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000160960064 387595538 /nfs/dbraw/zinc/59/55/38/387595538.db2.gz KDLJUYQHATYNIU-UHFFFAOYSA-N 0 0 223.360 3.237 20 70 BGIDRN COC(=O)c1ccc(CSCCCF)cc1 ZINC000160961398 349344099 /nfs/dbraw/zinc/34/40/99/349344099.db2.gz XWKCLXFOGCOAFK-UHFFFAOYSA-N 0 0 242.315 3.066 20 70 BGIDRN CCC[C@H](C(=O)N1CCC[C@H](C)C1)C(C)C ZINC000160962173 323140747 /nfs/dbraw/zinc/14/07/47/323140747.db2.gz NAQCRHLEKNGOMQ-STQMWFEESA-N 0 0 225.376 3.317 20 70 BGIDRN CCC[C@@H](C(=O)N1CCC[C@H](C)C1)C(C)C ZINC000160962310 323140797 /nfs/dbraw/zinc/14/07/97/323140797.db2.gz NAQCRHLEKNGOMQ-QWHCGFSZSA-N 0 0 225.376 3.317 20 70 BGIDRN CCC[C@H](C(=O)N1CCC[C@@H](C)C1)C(C)C ZINC000160962413 323140785 /nfs/dbraw/zinc/14/07/85/323140785.db2.gz NAQCRHLEKNGOMQ-OLZOCXBDSA-N 0 0 225.376 3.317 20 70 BGIDRN CCC[C@@H](C(=O)N1CCC[C@@H](C)C1)C(C)C ZINC000160962509 323140704 /nfs/dbraw/zinc/14/07/04/323140704.db2.gz NAQCRHLEKNGOMQ-CHWSQXEVSA-N 0 0 225.376 3.317 20 70 BGIDRN Cc1cc(C(=O)N2CCC[C@H](C)C2)cc(C)c1F ZINC000160964496 323140834 /nfs/dbraw/zinc/14/08/34/323140834.db2.gz FJQYUZHHCHSQHU-JTQLQIEISA-N 0 0 249.329 3.315 20 70 BGIDRN Cc1cc(C(=O)N2CCC[C@@H](C)C2)cc(C)c1F ZINC000160964616 397772816 /nfs/dbraw/zinc/77/28/16/397772816.db2.gz FJQYUZHHCHSQHU-SNVBAGLBSA-N 0 0 249.329 3.315 20 70 BGIDRN CCSc1cccc(C(=O)N(CC)CC)c1 ZINC000160969732 323140953 /nfs/dbraw/zinc/14/09/53/323140953.db2.gz SLFSJVVMLOGGDL-UHFFFAOYSA-N 0 0 237.368 3.281 20 70 BGIDRN CC(C)(Cc1ccccc1)C(=O)NC1CC=CC1 ZINC000160971850 538913670 /nfs/dbraw/zinc/91/36/70/538913670.db2.gz VRCAZVZDWKVPIP-UHFFFAOYSA-N 0 0 243.350 3.090 20 70 BGIDRN Cc1nnc(CSc2ccc(C)c(C)c2)n1C ZINC000160974667 359605126 /nfs/dbraw/zinc/60/51/26/359605126.db2.gz MIAJBOIMLGPMBT-UHFFFAOYSA-N 0 0 247.367 3.033 20 70 BGIDRN Cc1nnc(CSc2cc(C)ccc2C)n1C ZINC000160975625 359606664 /nfs/dbraw/zinc/60/66/64/359606664.db2.gz VCHXPOHPOHYTNN-UHFFFAOYSA-N 0 0 247.367 3.033 20 70 BGIDRN Cc1nnc(CSc2ccc(C)cc2C)n1C ZINC000160975889 323141113 /nfs/dbraw/zinc/14/11/13/323141113.db2.gz JEQSENDGTIEYNX-UHFFFAOYSA-N 0 0 247.367 3.033 20 70 BGIDRN CCC(CC)C(=O)N1CCc2c(F)cccc2C1 ZINC000160977539 168336165 /nfs/dbraw/zinc/33/61/65/168336165.db2.gz FKRIQFPVKUCYKA-UHFFFAOYSA-N 0 0 249.329 3.147 20 70 BGIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccco1 ZINC000160990498 323142242 /nfs/dbraw/zinc/14/22/42/323142242.db2.gz HESGSSSOUWBANJ-NEPJUHHUSA-N 0 0 235.327 3.320 20 70 BGIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccco1 ZINC000160990631 323142265 /nfs/dbraw/zinc/14/22/65/323142265.db2.gz HESGSSSOUWBANJ-RYUDHWBXSA-N 0 0 235.327 3.320 20 70 BGIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccco1 ZINC000160990733 323142267 /nfs/dbraw/zinc/14/22/67/323142267.db2.gz HESGSSSOUWBANJ-VXGBXAGGSA-N 0 0 235.327 3.320 20 70 BGIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccco1 ZINC000160990870 487542367 /nfs/dbraw/zinc/54/23/67/487542367.db2.gz HESGSSSOUWBANJ-NWDGAFQWSA-N 0 0 235.327 3.320 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)N(C1CC1)C1CCCC1 ZINC000160994468 323142639 /nfs/dbraw/zinc/14/26/39/323142639.db2.gz WXNBZKUNFAMCPE-UKRRQHHQSA-N 0 0 235.371 3.356 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)N(C1CC1)C1CCCC1 ZINC000160994611 323142726 /nfs/dbraw/zinc/14/27/26/323142726.db2.gz WXNBZKUNFAMCPE-HIFRSBDPSA-N 0 0 235.371 3.356 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)N(C1CC1)C1CCCC1 ZINC000160994723 323142689 /nfs/dbraw/zinc/14/26/89/323142689.db2.gz WXNBZKUNFAMCPE-DZGCQCFKSA-N 0 0 235.371 3.356 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)N(C1CC1)C1CCCC1 ZINC000160994849 323142552 /nfs/dbraw/zinc/14/25/52/323142552.db2.gz WXNBZKUNFAMCPE-ZFWWWQNUSA-N 0 0 235.371 3.356 20 70 BGIDRN Cc1cc(C(=O)NC2CC=CC2)c(C)n1C(C)C ZINC000161000470 538913564 /nfs/dbraw/zinc/91/35/64/538913564.db2.gz MXFKBQHLHJCLQY-UHFFFAOYSA-N 0 0 246.354 3.134 20 70 BGIDRN CCC[C@@H](C)C(=O)N1CCc2c(F)cccc2C1 ZINC000161001641 169349387 /nfs/dbraw/zinc/34/93/87/169349387.db2.gz MQMYSQFVSXTPKB-LLVKDONJSA-N 0 0 249.329 3.147 20 70 BGIDRN CCC[C@H](C)C(=O)N1CCc2c(F)cccc2C1 ZINC000161001721 169471052 /nfs/dbraw/zinc/47/10/52/169471052.db2.gz MQMYSQFVSXTPKB-NSHDSACASA-N 0 0 249.329 3.147 20 70 BGIDRN CCc1c(C)nn(-c2cccc(OC)c2)c1C ZINC000161002272 566326169 /nfs/dbraw/zinc/32/61/69/566326169.db2.gz CIGKVVHSAICHQN-UHFFFAOYSA-N 0 0 230.311 3.060 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)N(CC(C)C)C1CC1 ZINC000161004460 323143050 /nfs/dbraw/zinc/14/30/50/323143050.db2.gz MGXMOLFXYPDZEU-TZMCWYRMSA-N 0 0 223.360 3.070 20 70 BGIDRN CC[C@@]1(C)C[C@@H]1C(=O)N(CC(C)C)C1CC1 ZINC000161004603 323142999 /nfs/dbraw/zinc/14/29/99/323142999.db2.gz MGXMOLFXYPDZEU-OCCSQVGLSA-N 0 0 223.360 3.070 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)N(CC(C)C)C1CC1 ZINC000161004724 323143045 /nfs/dbraw/zinc/14/30/45/323143045.db2.gz MGXMOLFXYPDZEU-GXTWGEPZSA-N 0 0 223.360 3.070 20 70 BGIDRN CC[C@@]1(C)C[C@H]1C(=O)N(CC(C)C)C1CC1 ZINC000161004844 323142973 /nfs/dbraw/zinc/14/29/73/323142973.db2.gz MGXMOLFXYPDZEU-JSGCOSHPSA-N 0 0 223.360 3.070 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000161006371 323142983 /nfs/dbraw/zinc/14/29/83/323142983.db2.gz PBZKDYMIKOOTNY-KYEXWDHISA-N 0 0 237.387 3.460 20 70 BGIDRN CCCC[C@@H](CC)CC(=O)NC1CC=CC1 ZINC000161006917 538913817 /nfs/dbraw/zinc/91/38/17/538913817.db2.gz LCFHAFRXTQBORU-GFCCVEGCSA-N 0 0 223.360 3.428 20 70 BGIDRN CCCC[C@H](CC)CC(=O)NC1CC=CC1 ZINC000161007044 538913540 /nfs/dbraw/zinc/91/35/40/538913540.db2.gz LCFHAFRXTQBORU-LBPRGKRZSA-N 0 0 223.360 3.428 20 70 BGIDRN CC(C)c1ccc(C(=O)N2CCC(C)CC2)cn1 ZINC000161009648 168176509 /nfs/dbraw/zinc/17/65/09/168176509.db2.gz DYTYBSADPNRBEV-UHFFFAOYSA-N 0 0 246.354 3.077 20 70 BGIDRN CCC(C)(C)C(=O)N1CCc2c(F)cccc2C1 ZINC000161009663 168263577 /nfs/dbraw/zinc/26/35/77/168263577.db2.gz RKSIMNSMOCJVRG-UHFFFAOYSA-N 0 0 249.329 3.147 20 70 BGIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccncc1 ZINC000161013500 323143127 /nfs/dbraw/zinc/14/31/27/323143127.db2.gz RDZHQXJBJLFTMF-OCCSQVGLSA-N 0 0 246.354 3.122 20 70 BGIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccncc1 ZINC000161013617 323143147 /nfs/dbraw/zinc/14/31/47/323143147.db2.gz RDZHQXJBJLFTMF-JSGCOSHPSA-N 0 0 246.354 3.122 20 70 BGIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccncc1 ZINC000161013729 323143221 /nfs/dbraw/zinc/14/32/21/323143221.db2.gz RDZHQXJBJLFTMF-TZMCWYRMSA-N 0 0 246.354 3.122 20 70 BGIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccncc1 ZINC000161013852 323143159 /nfs/dbraw/zinc/14/31/59/323143159.db2.gz RDZHQXJBJLFTMF-GXTWGEPZSA-N 0 0 246.354 3.122 20 70 BGIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccnc1 ZINC000161013991 323143100 /nfs/dbraw/zinc/14/31/00/323143100.db2.gz UMOYZXTZRYWBFA-OCCSQVGLSA-N 0 0 246.354 3.122 20 70 BGIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccnc1 ZINC000161014118 323143172 /nfs/dbraw/zinc/14/31/72/323143172.db2.gz UMOYZXTZRYWBFA-JSGCOSHPSA-N 0 0 246.354 3.122 20 70 BGIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccnc1 ZINC000161014222 323143093 /nfs/dbraw/zinc/14/30/93/323143093.db2.gz UMOYZXTZRYWBFA-TZMCWYRMSA-N 0 0 246.354 3.122 20 70 BGIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)c1cccnc1 ZINC000161014312 323143220 /nfs/dbraw/zinc/14/32/20/323143220.db2.gz UMOYZXTZRYWBFA-GXTWGEPZSA-N 0 0 246.354 3.122 20 70 BGIDRN CC(C)[C@@H](C)N(C(=O)[C@@H]1CC1(C)C)C1CC1 ZINC000161015003 349359815 /nfs/dbraw/zinc/35/98/15/349359815.db2.gz JGFQOGIDNHKMSW-PWSUYJOCSA-N 0 0 223.360 3.068 20 70 BGIDRN CC(C)[C@H](C)N(C(=O)[C@@H]1CC1(C)C)C1CC1 ZINC000161015104 136273656 /nfs/dbraw/zinc/27/36/56/136273656.db2.gz JGFQOGIDNHKMSW-JQWIXIFHSA-N 0 0 223.360 3.068 20 70 BGIDRN CC(C)c1ccc(SCc2nncn2C)cc1 ZINC000161022323 323143519 /nfs/dbraw/zinc/14/35/19/323143519.db2.gz FCWLSRGTRZXKKG-UHFFFAOYSA-N 0 0 247.367 3.231 20 70 BGIDRN Cc1ccsc1CCCC(=O)N(C)C(C)C ZINC000161023698 384504108 /nfs/dbraw/zinc/50/41/08/384504108.db2.gz AWSLBNYVOJWJGP-UHFFFAOYSA-N 0 0 239.384 3.246 20 70 BGIDRN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)C(C)C ZINC000161024118 384455054 /nfs/dbraw/zinc/45/50/54/384455054.db2.gz HGZXBRWQBOIXJN-MNOVXSKESA-N 0 0 237.368 3.027 20 70 BGIDRN Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(C)C(C)C ZINC000161024251 179556485 /nfs/dbraw/zinc/55/64/85/179556485.db2.gz HGZXBRWQBOIXJN-QWRGUYRKSA-N 0 0 237.368 3.027 20 70 BGIDRN Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)C(C)C ZINC000161024364 384454233 /nfs/dbraw/zinc/45/42/33/384454233.db2.gz HGZXBRWQBOIXJN-GHMZBOCLSA-N 0 0 237.368 3.027 20 70 BGIDRN Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)C(C)C ZINC000161024468 384456051 /nfs/dbraw/zinc/45/60/51/384456051.db2.gz HGZXBRWQBOIXJN-WDEREUQCSA-N 0 0 237.368 3.027 20 70 BGIDRN CCCCN(C)C(=O)c1cc(F)c(C)cc1F ZINC000161028008 538913530 /nfs/dbraw/zinc/91/35/30/538913530.db2.gz RONLIEUNQHZGLY-UHFFFAOYSA-N 0 0 241.281 3.145 20 70 BGIDRN COc1ccc(OCCSCCCF)cc1 ZINC000161028011 384455727 /nfs/dbraw/zinc/45/57/27/384455727.db2.gz SLEMMOKZLFBDOV-UHFFFAOYSA-N 0 0 244.331 3.167 20 70 BGIDRN COCC[C@H](C)Oc1ccc(Cl)c(F)c1 ZINC000161028098 345011212 /nfs/dbraw/zinc/01/12/12/345011212.db2.gz OLNCKNRKEDWAME-QMMMGPOBSA-N 0 0 232.682 3.283 20 70 BGIDRN COCC[C@@H](C)Oc1ccc(Cl)c(F)c1 ZINC000161028226 345012151 /nfs/dbraw/zinc/01/21/51/345012151.db2.gz OLNCKNRKEDWAME-MRVPVSSYSA-N 0 0 232.682 3.283 20 70 BGIDRN CS[C@H](C)CC(=O)N([C@H](C)C(C)C)C1CC1 ZINC000161036559 323144153 /nfs/dbraw/zinc/14/41/53/323144153.db2.gz MUFAAJDYFJZOGM-GHMZBOCLSA-N 0 0 243.416 3.164 20 70 BGIDRN CS[C@H](C)CC(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000161036644 323144113 /nfs/dbraw/zinc/14/41/13/323144113.db2.gz MUFAAJDYFJZOGM-MNOVXSKESA-N 0 0 243.416 3.164 20 70 BGIDRN CS[C@@H](C)CC(=O)N([C@H](C)C(C)C)C1CC1 ZINC000161036780 323144148 /nfs/dbraw/zinc/14/41/48/323144148.db2.gz MUFAAJDYFJZOGM-WDEREUQCSA-N 0 0 243.416 3.164 20 70 BGIDRN CS[C@@H](C)CC(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000161036881 323144060 /nfs/dbraw/zinc/14/40/60/323144060.db2.gz MUFAAJDYFJZOGM-QWRGUYRKSA-N 0 0 243.416 3.164 20 70 BGIDRN CCC(C)(C)C(=O)OCc1nc(C)sc1C ZINC000161038804 168270784 /nfs/dbraw/zinc/27/07/84/168270784.db2.gz OMKKSALPVISLCK-UHFFFAOYSA-N 0 0 241.356 3.239 20 70 BGIDRN CCCC(CCC)SCc1nnc(C)n1C ZINC000161041855 323144691 /nfs/dbraw/zinc/14/46/91/323144691.db2.gz LETIENPVLJOBGH-UHFFFAOYSA-N 0 0 241.404 3.326 20 70 BGIDRN CCCC(CCC)SCc1nncn1C ZINC000161041995 323144772 /nfs/dbraw/zinc/14/47/72/323144772.db2.gz RTWTXOMBDUPRLH-UHFFFAOYSA-N 0 0 227.377 3.017 20 70 BGIDRN CCC(C)(C)Nc1ccc(C(F)(F)F)nn1 ZINC000161051543 168303458 /nfs/dbraw/zinc/30/34/58/168303458.db2.gz KSIPWBMPXXDGNT-UHFFFAOYSA-N 0 0 233.237 3.096 20 70 BGIDRN COCC[C@H](C)Sc1ccc(N)cc1Cl ZINC000161052927 133511486 /nfs/dbraw/zinc/51/14/86/133511486.db2.gz BBRBZAPCIXGSPP-QMMMGPOBSA-N 0 0 245.775 3.439 20 70 BGIDRN COCC[C@@H](C)Sc1ccc(N)cc1Cl ZINC000161053051 133511448 /nfs/dbraw/zinc/51/14/48/133511448.db2.gz BBRBZAPCIXGSPP-MRVPVSSYSA-N 0 0 245.775 3.439 20 70 BGIDRN CC1(Nc2cc(Cl)nc(C3CC3)n2)CCC1 ZINC000161057288 168064699 /nfs/dbraw/zinc/06/46/99/168064699.db2.gz DEUWKJGHMNTHMX-UHFFFAOYSA-N 0 0 237.734 3.362 20 70 BGIDRN CCC[C@H](C(=O)N(C)Cc1cccnc1)C(C)C ZINC000161059338 169465035 /nfs/dbraw/zinc/46/50/35/169465035.db2.gz PLSSNADYUJKWGW-AWEZNQCLSA-N 0 0 248.370 3.112 20 70 BGIDRN CCC[C@@H](C(=O)N(C)Cc1cccnc1)C(C)C ZINC000161059448 169343119 /nfs/dbraw/zinc/34/31/19/169343119.db2.gz PLSSNADYUJKWGW-CQSZACIVSA-N 0 0 248.370 3.112 20 70 BGIDRN COc1ccc(CSCCCF)cc1F ZINC000161063014 175114717 /nfs/dbraw/zinc/11/47/17/175114717.db2.gz FCOVIMZOWHUAFB-UHFFFAOYSA-N 0 0 232.295 3.427 20 70 BGIDRN Cc1cncc(N[C@@H]2CCCc3sccc32)n1 ZINC000161065221 385918180 /nfs/dbraw/zinc/91/81/80/385918180.db2.gz UZRRWYGKOVWETK-LLVKDONJSA-N 0 0 245.351 3.336 20 70 BGIDRN Cc1cncc(N[C@H]2CCCc3sccc32)n1 ZINC000161065328 385919029 /nfs/dbraw/zinc/91/90/29/385919029.db2.gz UZRRWYGKOVWETK-NSHDSACASA-N 0 0 245.351 3.336 20 70 BGIDRN COc1cccc(CSCCCF)c1 ZINC000161067816 323145766 /nfs/dbraw/zinc/14/57/66/323145766.db2.gz UPQGBHWYCNUBFU-UHFFFAOYSA-N 0 0 214.305 3.288 20 70 BGIDRN Cn1c2ccccc2nc1NCCC(C)(C)C ZINC000161082056 398340061 /nfs/dbraw/zinc/34/00/61/398340061.db2.gz HKUYFJUGBCOLMW-UHFFFAOYSA-N 0 0 231.343 3.421 20 70 BGIDRN C[C@@H](CNc1nc2ccccc2n1C)C1CC1 ZINC000161082460 538913779 /nfs/dbraw/zinc/91/37/79/538913779.db2.gz YAYKMIZTANVMBV-JTQLQIEISA-N 0 0 229.327 3.031 20 70 BGIDRN C[C@H](CNc1nc2ccccc2n1C)C1CC1 ZINC000161082588 541356798 /nfs/dbraw/zinc/35/67/98/541356798.db2.gz YAYKMIZTANVMBV-SNVBAGLBSA-N 0 0 229.327 3.031 20 70 BGIDRN c1ccc2[nH]c(NCC3CCSCC3)nc2c1 ZINC000161085015 385737407 /nfs/dbraw/zinc/73/74/07/385737407.db2.gz XJMDWXSTCHUKIP-UHFFFAOYSA-N 0 0 247.367 3.118 20 70 BGIDRN CSCCCCNc1nc2ccccc2n1C ZINC000161085432 385149820 /nfs/dbraw/zinc/14/98/20/385149820.db2.gz QSAWKMPJBIEBPW-UHFFFAOYSA-N 0 0 249.383 3.128 20 70 BGIDRN Cn1c2ccccc2nc1NCCCC1CC1 ZINC000161085561 323146136 /nfs/dbraw/zinc/14/61/36/323146136.db2.gz FWNQRUOCTLBDCG-UHFFFAOYSA-N 0 0 229.327 3.175 20 70 BGIDRN CC(C)CCC(=O)N1CCc2c(F)cccc2C1 ZINC000161086127 384461412 /nfs/dbraw/zinc/46/14/12/384461412.db2.gz UEWONMZFUHDNER-UHFFFAOYSA-N 0 0 249.329 3.147 20 70 BGIDRN CSC(C)(C)CNc1nc2ccccc2n1C ZINC000161088839 384459796 /nfs/dbraw/zinc/45/97/96/384459796.db2.gz KZTWZAFLQYSKOX-UHFFFAOYSA-N 0 0 249.383 3.127 20 70 BGIDRN C[C@H](Nc1nc2ccccc2n1C)C1CCC1 ZINC000161091944 538914119 /nfs/dbraw/zinc/91/41/19/538914119.db2.gz OVSBKCXETUQKRG-JTQLQIEISA-N 0 0 229.327 3.174 20 70 BGIDRN C[C@@H](Nc1nc2ccccc2n1C)C1CCC1 ZINC000161092057 538914145 /nfs/dbraw/zinc/91/41/45/538914145.db2.gz OVSBKCXETUQKRG-SNVBAGLBSA-N 0 0 229.327 3.174 20 70 BGIDRN CC[C@H](C(=O)NC1CC=CC1)c1ccc(F)cc1 ZINC000161098690 538914041 /nfs/dbraw/zinc/91/40/41/538914041.db2.gz CZJUWPDZSMMYRZ-AWEZNQCLSA-N 0 0 247.313 3.154 20 70 BGIDRN CC[C@@H](C(=O)NC1CC=CC1)c1ccc(F)cc1 ZINC000161098797 538914149 /nfs/dbraw/zinc/91/41/49/538914149.db2.gz CZJUWPDZSMMYRZ-CQSZACIVSA-N 0 0 247.313 3.154 20 70 BGIDRN COC(=O)c1cccc(CSCCCF)c1 ZINC000161101400 136273755 /nfs/dbraw/zinc/27/37/55/136273755.db2.gz VRURWGCJNZALGZ-UHFFFAOYSA-N 0 0 242.315 3.066 20 70 BGIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccoc1 ZINC000161103118 323146947 /nfs/dbraw/zinc/14/69/47/323146947.db2.gz VQUZOOKNEPBIPQ-YPMHNXCESA-N 0 0 235.327 3.320 20 70 BGIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccoc1 ZINC000161103204 323146940 /nfs/dbraw/zinc/14/69/40/323146940.db2.gz VQUZOOKNEPBIPQ-AAEUAGOBSA-N 0 0 235.327 3.320 20 70 BGIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccoc1 ZINC000161103326 323146911 /nfs/dbraw/zinc/14/69/11/323146911.db2.gz VQUZOOKNEPBIPQ-DGCLKSJQSA-N 0 0 235.327 3.320 20 70 BGIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)c1ccoc1 ZINC000161103447 323146892 /nfs/dbraw/zinc/14/68/92/323146892.db2.gz VQUZOOKNEPBIPQ-WCQYABFASA-N 0 0 235.327 3.320 20 70 BGIDRN CS[C@H](C)CC(=O)NC[C@H]1CCCC[C@H]1C ZINC000161110139 323147285 /nfs/dbraw/zinc/14/72/85/323147285.db2.gz KUSZCFQDDACIDG-IJLUTSLNSA-N 0 0 243.416 3.071 20 70 BGIDRN CS[C@H](C)CC(=O)NC[C@H]1CCCC[C@@H]1C ZINC000161110261 323075868 /nfs/dbraw/zinc/07/58/68/323075868.db2.gz KUSZCFQDDACIDG-QJPTWQEYSA-N 0 0 243.416 3.071 20 70 BGIDRN CS[C@H](C)CC(=O)NC[C@@H]1CCCC[C@H]1C ZINC000161110384 323147334 /nfs/dbraw/zinc/14/73/34/323147334.db2.gz KUSZCFQDDACIDG-UTUOFQBUSA-N 0 0 243.416 3.071 20 70 BGIDRN CS[C@H](C)CC(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000161110497 323147394 /nfs/dbraw/zinc/14/73/94/323147394.db2.gz KUSZCFQDDACIDG-TUAOUCFPSA-N 0 0 243.416 3.071 20 70 BGIDRN Cc1cccc(C)c1OCc1nccs1 ZINC000161111271 179047484 /nfs/dbraw/zinc/04/74/84/179047484.db2.gz RNWIHMPKFKJJOC-UHFFFAOYSA-N 0 0 219.309 3.339 20 70 BGIDRN CC[C@@H](C)NC(=O)c1cc(C)c(F)cc1Cl ZINC000161112342 323147613 /nfs/dbraw/zinc/14/76/13/323147613.db2.gz LUJVWCMGEJNRRF-MRVPVSSYSA-N 0 0 243.709 3.316 20 70 BGIDRN CC[C@H](C)NC(=O)c1cc(C)c(F)cc1Cl ZINC000161112471 323147634 /nfs/dbraw/zinc/14/76/34/323147634.db2.gz LUJVWCMGEJNRRF-QMMMGPOBSA-N 0 0 243.709 3.316 20 70 BGIDRN Cc1ccc(OCc2nccs2)cc1C ZINC000161117177 385255186 /nfs/dbraw/zinc/25/51/86/385255186.db2.gz ZYPLRDPTDMIHNN-UHFFFAOYSA-N 0 0 219.309 3.339 20 70 BGIDRN CC(=O)c1ccccc1O[C@H]1C=CCCC1 ZINC000161120112 385258861 /nfs/dbraw/zinc/25/88/61/385258861.db2.gz XCMWWAKHAGYFKW-LBPRGKRZSA-N 0 0 216.280 3.377 20 70 BGIDRN CC(=O)c1ccccc1O[C@@H]1C=CCCC1 ZINC000161120213 385259880 /nfs/dbraw/zinc/25/98/80/385259880.db2.gz XCMWWAKHAGYFKW-GFCCVEGCSA-N 0 0 216.280 3.377 20 70 BGIDRN CCOc1ccccc1OCc1nccs1 ZINC000161122018 384467710 /nfs/dbraw/zinc/46/77/10/384467710.db2.gz FRMSGZWYCPENTP-UHFFFAOYSA-N 0 0 235.308 3.121 20 70 BGIDRN Cc1cc(C(=O)N2CCCC2)c(Cl)cc1F ZINC000161122403 323147945 /nfs/dbraw/zinc/14/79/45/323147945.db2.gz ORDDXNDBIKRZSK-UHFFFAOYSA-N 0 0 241.693 3.024 20 70 BGIDRN CCOc1ccc(OCc2nccs2)cc1 ZINC000161124195 384466756 /nfs/dbraw/zinc/46/67/56/384466756.db2.gz WGZSNCMXHQHOTR-UHFFFAOYSA-N 0 0 235.308 3.121 20 70 BGIDRN CSCCN(C)C(=O)C1CCC(C)(C)CC1 ZINC000161131337 323148708 /nfs/dbraw/zinc/14/87/08/323148708.db2.gz QOHXCDCCRODPIL-UHFFFAOYSA-N 0 0 243.416 3.024 20 70 BGIDRN CCCCCC[NH2+][C@@H](C)c1cscn1 ZINC000161133567 384823012 /nfs/dbraw/zinc/82/30/12/384823012.db2.gz XLCMJLAMSOMAOD-JTQLQIEISA-N 0 0 212.362 3.374 20 70 BGIDRN CCCCCC[NH2+][C@H](C)c1cscn1 ZINC000161133691 384822170 /nfs/dbraw/zinc/82/21/70/384822170.db2.gz XLCMJLAMSOMAOD-SNVBAGLBSA-N 0 0 212.362 3.374 20 70 BGIDRN c1csc(COc2ccc3c(c2)CCC3)n1 ZINC000161135723 384467125 /nfs/dbraw/zinc/46/71/25/384467125.db2.gz KDIVZNFVVRONSF-UHFFFAOYSA-N 0 0 231.320 3.211 20 70 BGIDRN C[C@H](NCc1cccs1)c1cscn1 ZINC000161139336 384833458 /nfs/dbraw/zinc/83/34/58/384833458.db2.gz HENADQCIKRPQCC-QMMMGPOBSA-N 0 0 224.354 3.055 20 70 BGIDRN C[C@@H](NCc1cccs1)c1cscn1 ZINC000161139460 384833708 /nfs/dbraw/zinc/83/37/08/384833708.db2.gz HENADQCIKRPQCC-MRVPVSSYSA-N 0 0 224.354 3.055 20 70 BGIDRN Cc1cccc(OCc2nccs2)c1C ZINC000161142509 179173535 /nfs/dbraw/zinc/17/35/35/179173535.db2.gz SRZYNONXVSROFX-UHFFFAOYSA-N 0 0 219.309 3.339 20 70 BGIDRN C[C@H](N[C@@H](C)c1ccco1)c1cscn1 ZINC000161144424 385806824 /nfs/dbraw/zinc/80/68/24/385806824.db2.gz FACZMJYOHXHLJX-IUCAKERBSA-N 0 0 222.313 3.148 20 70 BGIDRN C[C@@H](N[C@@H](C)c1cscn1)c1ccco1 ZINC000161144553 323037182 /nfs/dbraw/zinc/03/71/82/323037182.db2.gz FACZMJYOHXHLJX-DTWKUNHWSA-N 0 0 222.313 3.148 20 70 BGIDRN C[C@@H](N[C@@H](C)c1ccco1)c1cscn1 ZINC000161144671 385806714 /nfs/dbraw/zinc/80/67/14/385806714.db2.gz FACZMJYOHXHLJX-BDAKNGLRSA-N 0 0 222.313 3.148 20 70 BGIDRN C[C@@H](N[C@H](C)c1ccco1)c1cscn1 ZINC000161144776 487566741 /nfs/dbraw/zinc/56/67/41/487566741.db2.gz FACZMJYOHXHLJX-RKDXNWHRSA-N 0 0 222.313 3.148 20 70 BGIDRN CC(C)n1cccc1C(=O)N1CCCC[C@H]1C ZINC000161145719 167768671 /nfs/dbraw/zinc/76/86/71/167768671.db2.gz DTVSSNXMVAQMBG-GFCCVEGCSA-N 0 0 234.343 3.084 20 70 BGIDRN CC(C)n1cccc1C(=O)N1CCCC[C@@H]1C ZINC000161145835 384467855 /nfs/dbraw/zinc/46/78/55/384467855.db2.gz DTVSSNXMVAQMBG-LBPRGKRZSA-N 0 0 234.343 3.084 20 70 BGIDRN CCC[C@H](C(=O)N1CCCC[C@@H]1C)C(C)C ZINC000161146541 351083814 /nfs/dbraw/zinc/08/38/14/351083814.db2.gz LEVPSEHBPWJBAP-STQMWFEESA-N 0 0 225.376 3.460 20 70 BGIDRN CCC[C@@H](C(=O)N1CCCC[C@@H]1C)C(C)C ZINC000161146647 351084833 /nfs/dbraw/zinc/08/48/33/351084833.db2.gz LEVPSEHBPWJBAP-QWHCGFSZSA-N 0 0 225.376 3.460 20 70 BGIDRN CCC[C@H](C(=O)N1CCCC[C@H]1C)C(C)C ZINC000161146721 351085158 /nfs/dbraw/zinc/08/51/58/351085158.db2.gz LEVPSEHBPWJBAP-OLZOCXBDSA-N 0 0 225.376 3.460 20 70 BGIDRN CCC[C@@H](C(=O)N1CCCC[C@H]1C)C(C)C ZINC000161146812 323149370 /nfs/dbraw/zinc/14/93/70/323149370.db2.gz LEVPSEHBPWJBAP-CHWSQXEVSA-N 0 0 225.376 3.460 20 70 BGIDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)cc(C)c1F ZINC000161148380 323149369 /nfs/dbraw/zinc/14/93/69/323149369.db2.gz AZHUILDUDLLKJW-LBPRGKRZSA-N 0 0 249.329 3.457 20 70 BGIDRN Cc1cc(C(=O)N2CCCC[C@H]2C)cc(C)c1F ZINC000161148506 323149395 /nfs/dbraw/zinc/14/93/95/323149395.db2.gz AZHUILDUDLLKJW-GFCCVEGCSA-N 0 0 249.329 3.457 20 70 BGIDRN CC(C)n1cccc1C(=O)N[C@H]1CCCC[C@H]1C ZINC000161151277 323149221 /nfs/dbraw/zinc/14/92/21/323149221.db2.gz DJHDWPGMYVAZQM-OLZOCXBDSA-N 0 0 248.370 3.378 20 70 BGIDRN CC(C)n1cccc1C(=O)N[C@H]1CCCC[C@@H]1C ZINC000161151400 323149128 /nfs/dbraw/zinc/14/91/28/323149128.db2.gz DJHDWPGMYVAZQM-STQMWFEESA-N 0 0 248.370 3.378 20 70 BGIDRN CC(C)n1cccc1C(=O)N[C@@H]1CCCC[C@H]1C ZINC000161151509 323149161 /nfs/dbraw/zinc/14/91/61/323149161.db2.gz DJHDWPGMYVAZQM-CHWSQXEVSA-N 0 0 248.370 3.378 20 70 BGIDRN CC(C)n1cccc1C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000161151636 323149189 /nfs/dbraw/zinc/14/91/89/323149189.db2.gz DJHDWPGMYVAZQM-QWHCGFSZSA-N 0 0 248.370 3.378 20 70 BGIDRN COc1cc(C)ccc1OCc1nccs1 ZINC000161154580 174970243 /nfs/dbraw/zinc/97/02/43/174970243.db2.gz UPCYZXGPGSOPBX-UHFFFAOYSA-N 0 0 235.308 3.039 20 70 BGIDRN C[C@H](NCc1ccsc1)c1cscn1 ZINC000161155886 384852886 /nfs/dbraw/zinc/85/28/86/384852886.db2.gz WJFXMJQZVXQOHL-QMMMGPOBSA-N 0 0 224.354 3.055 20 70 BGIDRN C[C@@H](NCc1ccsc1)c1cscn1 ZINC000161156012 384851760 /nfs/dbraw/zinc/85/17/60/384851760.db2.gz WJFXMJQZVXQOHL-MRVPVSSYSA-N 0 0 224.354 3.055 20 70 BGIDRN Cc1ccc(CN[C@@H](C)c2cscn2)s1 ZINC000161156604 384852786 /nfs/dbraw/zinc/85/27/86/384852786.db2.gz JYOIWPBYPMZROH-VIFPVBQESA-N 0 0 238.381 3.364 20 70 BGIDRN Cc1ccc(CN[C@H](C)c2cscn2)s1 ZINC000161156736 384852075 /nfs/dbraw/zinc/85/20/75/384852075.db2.gz JYOIWPBYPMZROH-SECBINFHSA-N 0 0 238.381 3.364 20 70 BGIDRN CCN(CC)C(=O)c1cc(C)c(F)cc1Cl ZINC000161163432 323149580 /nfs/dbraw/zinc/14/95/80/323149580.db2.gz JENAOXKNLFMEEK-UHFFFAOYSA-N 0 0 243.709 3.270 20 70 BGIDRN CC[C@@H](C)NCC(F)(F)c1ccccc1 ZINC000161164960 384867065 /nfs/dbraw/zinc/86/70/65/384867065.db2.gz XGVMZUGWIIZSTK-SNVBAGLBSA-N 0 0 213.271 3.167 20 70 BGIDRN CC[C@H](C)NCC(F)(F)c1ccccc1 ZINC000161165088 384863959 /nfs/dbraw/zinc/86/39/59/384863959.db2.gz XGVMZUGWIIZSTK-JTQLQIEISA-N 0 0 213.271 3.167 20 70 BGIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H](C)SC ZINC000161168586 323149619 /nfs/dbraw/zinc/14/96/19/323149619.db2.gz QUJOETKPRWFGGK-UTUOFQBUSA-N 0 0 243.416 3.165 20 70 BGIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H](C)SC ZINC000161168839 323149718 /nfs/dbraw/zinc/14/97/18/323149718.db2.gz QUJOETKPRWFGGK-IJLUTSLNSA-N 0 0 243.416 3.165 20 70 BGIDRN Cc1ccsc1CN[C@@H](C)c1cscn1 ZINC000161169133 384866207 /nfs/dbraw/zinc/86/62/07/384866207.db2.gz NUKJPGWHWSEFPG-VIFPVBQESA-N 0 0 238.381 3.364 20 70 BGIDRN Cc1ccsc1CN[C@H](C)c1cscn1 ZINC000161169253 384866221 /nfs/dbraw/zinc/86/62/21/384866221.db2.gz NUKJPGWHWSEFPG-SECBINFHSA-N 0 0 238.381 3.364 20 70 BGIDRN CCOCCC1(C(=O)Nc2ccccc2)CCC1 ZINC000161170910 188518005 /nfs/dbraw/zinc/51/80/05/188518005.db2.gz KHMWHBKQEYTNOS-UHFFFAOYSA-N 0 0 247.338 3.222 20 70 BGIDRN CCCCNC(=O)c1cc(C)c(F)cc1Cl ZINC000161173802 323150065 /nfs/dbraw/zinc/15/00/65/323150065.db2.gz AUYWEGWINQOJEC-UHFFFAOYSA-N 0 0 243.709 3.317 20 70 BGIDRN Cc1cscc1NC(=O)C1=C(C)OCCC1 ZINC000161174463 188159480 /nfs/dbraw/zinc/15/94/80/188159480.db2.gz XQDMTYSPQXQSDW-UHFFFAOYSA-N 0 0 237.324 3.079 20 70 BGIDRN Fc1ccc(OCc2nccs2)cc1F ZINC000161181229 323150333 /nfs/dbraw/zinc/15/03/33/323150333.db2.gz GKSCXUKGKKVZAH-UHFFFAOYSA-N 0 0 227.235 3.000 20 70 BGIDRN CSc1ccc(OCc2nccs2)cc1 ZINC000161186215 384897065 /nfs/dbraw/zinc/89/70/65/384897065.db2.gz YVJGBXJEMVPEAT-UHFFFAOYSA-N 0 0 237.349 3.444 20 70 BGIDRN C[C@H](N[C@@H](C)c1nccs1)c1cscn1 ZINC000161191051 343204667 /nfs/dbraw/zinc/20/46/67/343204667.db2.gz KHDGAKNOTMBCKZ-YUMQZZPRSA-N 0 0 239.369 3.011 20 70 BGIDRN C[C@@H](N[C@@H](C)c1nccs1)c1cscn1 ZINC000161191146 343204730 /nfs/dbraw/zinc/20/47/30/343204730.db2.gz KHDGAKNOTMBCKZ-SFYZADRCSA-N 0 0 239.369 3.011 20 70 BGIDRN C[C@@H](N[C@@H](C)c1cscn1)c1nccs1 ZINC000161191265 343204851 /nfs/dbraw/zinc/20/48/51/343204851.db2.gz KHDGAKNOTMBCKZ-JGVFFNPUSA-N 0 0 239.369 3.011 20 70 BGIDRN C[C@@H](N[C@H](C)c1nccs1)c1cscn1 ZINC000161191353 343204622 /nfs/dbraw/zinc/20/46/22/343204622.db2.gz KHDGAKNOTMBCKZ-HTQZYQBOSA-N 0 0 239.369 3.011 20 70 BGIDRN Cn1nccc1CSc1ccc(Cl)cc1 ZINC000161199106 323321648 /nfs/dbraw/zinc/32/16/48/323321648.db2.gz DHXHZPZPZJHHFL-UHFFFAOYSA-N 0 0 238.743 3.366 20 70 BGIDRN C[C@@H]([NH2+][C@@H](C)c1cscn1)C1CCCC1 ZINC000161199601 385752677 /nfs/dbraw/zinc/75/26/77/385752677.db2.gz GWBRMIJUJBZDMT-ZJUUUORDSA-N 0 0 224.373 3.372 20 70 BGIDRN Cc1ccc(SCc2ccnn2C)cc1 ZINC000161207443 187472440 /nfs/dbraw/zinc/47/24/40/187472440.db2.gz OPFFJJAIPXYBAH-UHFFFAOYSA-N 0 0 218.325 3.021 20 70 BGIDRN C[C@@H]1CC[C@H](NC(=O)NC2(C)CCC2)[C@H](C)C1 ZINC000161214896 387147504 /nfs/dbraw/zinc/14/75/04/387147504.db2.gz BWOSARMMHCTLID-UTUOFQBUSA-N 0 0 238.375 3.053 20 70 BGIDRN C[C@@H]1CC[C@@H](NC(=O)NC2(C)CCC2)[C@H](C)C1 ZINC000161215157 387148030 /nfs/dbraw/zinc/14/80/30/387148030.db2.gz BWOSARMMHCTLID-IJLUTSLNSA-N 0 0 238.375 3.053 20 70 BGIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C1CC=CC1 ZINC000161217839 387147523 /nfs/dbraw/zinc/14/75/23/387147523.db2.gz JMFGDLQBRWYGMO-OCCSQVGLSA-N 0 0 235.371 3.380 20 70 BGIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)C1CC=CC1 ZINC000161217963 387147835 /nfs/dbraw/zinc/14/78/35/387147835.db2.gz JMFGDLQBRWYGMO-JSGCOSHPSA-N 0 0 235.371 3.380 20 70 BGIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)C1CC=CC1 ZINC000161218092 323464800 /nfs/dbraw/zinc/46/48/00/323464800.db2.gz JMFGDLQBRWYGMO-TZMCWYRMSA-N 0 0 235.371 3.380 20 70 BGIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)C1CC=CC1 ZINC000161218213 323464840 /nfs/dbraw/zinc/46/48/40/323464840.db2.gz JMFGDLQBRWYGMO-GXTWGEPZSA-N 0 0 235.371 3.380 20 70 BGIDRN CCC1CCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000161224680 387156254 /nfs/dbraw/zinc/15/62/54/387156254.db2.gz DGAOPIHJWCPAIX-GXTWGEPZSA-N 0 0 237.387 3.461 20 70 BGIDRN CCC1CCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000161224800 323469743 /nfs/dbraw/zinc/46/97/43/323469743.db2.gz DGAOPIHJWCPAIX-JSGCOSHPSA-N 0 0 237.387 3.461 20 70 BGIDRN CCC1CCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000161224909 387156787 /nfs/dbraw/zinc/15/67/87/387156787.db2.gz DGAOPIHJWCPAIX-TZMCWYRMSA-N 0 0 237.387 3.461 20 70 BGIDRN CCC1CCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000161225019 323469562 /nfs/dbraw/zinc/46/95/62/323469562.db2.gz DGAOPIHJWCPAIX-OCCSQVGLSA-N 0 0 237.387 3.461 20 70 BGIDRN Cc1cc(C(=O)NCC(C)C)c(Cl)cc1F ZINC000161225868 387156638 /nfs/dbraw/zinc/15/66/38/387156638.db2.gz JVVHZUXWVGJIEA-UHFFFAOYSA-N 0 0 243.709 3.173 20 70 BGIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CC1CC1 ZINC000161228336 323469887 /nfs/dbraw/zinc/46/98/87/323469887.db2.gz DFGIEUIGBOKCPZ-OLZOCXBDSA-N 0 0 223.360 3.214 20 70 BGIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)CC1CC1 ZINC000161228457 387156825 /nfs/dbraw/zinc/15/68/25/387156825.db2.gz DFGIEUIGBOKCPZ-STQMWFEESA-N 0 0 223.360 3.214 20 70 BGIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)CC1CC1 ZINC000161228566 387155685 /nfs/dbraw/zinc/15/56/85/387155685.db2.gz DFGIEUIGBOKCPZ-CHWSQXEVSA-N 0 0 223.360 3.214 20 70 BGIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)CC1CC1 ZINC000161228699 387156420 /nfs/dbraw/zinc/15/64/20/387156420.db2.gz DFGIEUIGBOKCPZ-QWHCGFSZSA-N 0 0 223.360 3.214 20 70 BGIDRN CCC1(NC(=O)C[C@@H](C)c2ccncc2)CCC1 ZINC000161237440 538914928 /nfs/dbraw/zinc/91/49/28/538914928.db2.gz SFIRGSRBMVVTSI-GFCCVEGCSA-N 0 0 246.354 3.024 20 70 BGIDRN CCC1(NC(=O)C[C@H](C)c2ccncc2)CCC1 ZINC000161237537 541356711 /nfs/dbraw/zinc/35/67/11/541356711.db2.gz SFIRGSRBMVVTSI-LBPRGKRZSA-N 0 0 246.354 3.024 20 70 BGIDRN Cc1noc(C)c1CSCc1nccs1 ZINC000161238676 384475803 /nfs/dbraw/zinc/47/58/03/384475803.db2.gz PHORGWDUYRVXMG-UHFFFAOYSA-N 0 0 240.353 3.181 20 70 BGIDRN Cc1oc2ccccc2c1CNc1ncccn1 ZINC000161241032 385958375 /nfs/dbraw/zinc/95/83/75/385958375.db2.gz RXJHQGOEYJDPBM-UHFFFAOYSA-N 0 0 239.278 3.143 20 70 BGIDRN Cc1ccc(SCc2ccnn2C)cc1C ZINC000161244248 384476845 /nfs/dbraw/zinc/47/68/45/384476845.db2.gz FCZAHMQEYFFHJV-UHFFFAOYSA-N 0 0 232.352 3.329 20 70 BGIDRN Cc1ccc(C)c(SCc2ccnn2C)c1 ZINC000161244911 384475920 /nfs/dbraw/zinc/47/59/20/384475920.db2.gz VYTHOBLUJJZWRN-UHFFFAOYSA-N 0 0 232.352 3.329 20 70 BGIDRN Cc1ccc(SCc2ccnn2C)c(C)c1 ZINC000161245034 188334872 /nfs/dbraw/zinc/33/48/72/188334872.db2.gz YUNRHXPGRHPSSP-UHFFFAOYSA-N 0 0 232.352 3.329 20 70 BGIDRN CC[C@H](SC)c1nc(Cc2ccccc2)no1 ZINC000161247434 384475909 /nfs/dbraw/zinc/47/59/09/384475909.db2.gz FMYWMLSYNDWBLY-NSHDSACASA-N 0 0 248.351 3.475 20 70 BGIDRN CC[C@@H](SC)c1nc(Cc2ccccc2)no1 ZINC000161247537 346481505 /nfs/dbraw/zinc/48/15/05/346481505.db2.gz FMYWMLSYNDWBLY-LLVKDONJSA-N 0 0 248.351 3.475 20 70 BGIDRN Cc1nc(SCc2nccs2)oc1C ZINC000161248625 323477490 /nfs/dbraw/zinc/47/74/90/323477490.db2.gz GAFFJGXKIPWFIO-UHFFFAOYSA-N 0 0 226.326 3.040 20 70 BGIDRN CC[C@H](SC)c1nc(C(C)(C)C)no1 ZINC000161256216 349411017 /nfs/dbraw/zinc/41/10/17/349411017.db2.gz HEPXPPBGXCYWGH-ZETCQYMHSA-N 0 0 214.334 3.181 20 70 BGIDRN CC[C@@H](SC)c1nc(C(C)(C)C)no1 ZINC000161256355 349410971 /nfs/dbraw/zinc/41/09/71/349410971.db2.gz HEPXPPBGXCYWGH-SSDOTTSWSA-N 0 0 214.334 3.181 20 70 BGIDRN CC(C)(C)c1nccc(Oc2ccc(F)nc2)n1 ZINC000161256462 188221363 /nfs/dbraw/zinc/22/13/63/188221363.db2.gz VDTCIJQGNCLZKB-UHFFFAOYSA-N 0 0 247.273 3.101 20 70 BGIDRN CCSCCOc1ccc(C)cc1C ZINC000161257927 200709472 /nfs/dbraw/zinc/70/94/72/200709472.db2.gz XANTUVHNZGALPU-UHFFFAOYSA-N 0 0 210.342 3.435 20 70 BGIDRN C[C@@H]1CCCN(Cc2csc(C3CC3)n2)C1 ZINC000161258264 349410662 /nfs/dbraw/zinc/41/06/62/349410662.db2.gz TWCABEMDODFKFZ-SNVBAGLBSA-N 0 0 236.384 3.252 20 70 BGIDRN C[C@H]1CCCN(Cc2csc(C3CC3)n2)C1 ZINC000161258341 349410992 /nfs/dbraw/zinc/41/09/92/349410992.db2.gz TWCABEMDODFKFZ-JTQLQIEISA-N 0 0 236.384 3.252 20 70 BGIDRN CCSCCNc1cc(C)ccc1C ZINC000161258925 200710968 /nfs/dbraw/zinc/71/09/68/200710968.db2.gz VLISWMJOKDOLRQ-UHFFFAOYSA-N 0 0 209.358 3.468 20 70 BGIDRN CCSCCNc1cccc(C)c1C ZINC000161259173 346165314 /nfs/dbraw/zinc/16/53/14/346165314.db2.gz JUXDPNBTIXCWMV-UHFFFAOYSA-N 0 0 209.358 3.468 20 70 BGIDRN CCSCCNc1ccc(C)cc1C ZINC000161259329 384956342 /nfs/dbraw/zinc/95/63/42/384956342.db2.gz NGCXHJWLCTVZTC-UHFFFAOYSA-N 0 0 209.358 3.468 20 70 BGIDRN CCSCCNc1cc(F)ccc1C ZINC000161260652 346165502 /nfs/dbraw/zinc/16/55/02/346165502.db2.gz CKFPAYCTXJTJNI-UHFFFAOYSA-N 0 0 213.321 3.299 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000161260809 387163417 /nfs/dbraw/zinc/16/34/17/387163417.db2.gz XSDRCWLTJSNGAG-FMCLSXCISA-N 0 0 223.360 3.118 20 70 BGIDRN CCSCCNc1cc(C)ccc1OC ZINC000161260899 170639244 /nfs/dbraw/zinc/63/92/44/170639244.db2.gz LJKUDDOZCJAIBQ-UHFFFAOYSA-N 0 0 225.357 3.169 20 70 BGIDRN CCSCCNc1ccc(C)c(F)c1 ZINC000161261034 346165483 /nfs/dbraw/zinc/16/54/83/346165483.db2.gz HUPJSMNHINQZJM-UHFFFAOYSA-N 0 0 213.321 3.299 20 70 BGIDRN CCSCCNc1ccc(C)cc1F ZINC000161261319 346165430 /nfs/dbraw/zinc/16/54/30/346165430.db2.gz ZHMLTLAXLXLMQQ-UHFFFAOYSA-N 0 0 213.321 3.299 20 70 BGIDRN CCOc1ccccc1NCCSCC ZINC000161261578 384955058 /nfs/dbraw/zinc/95/50/58/384955058.db2.gz PSSRSFWZZWKIPT-UHFFFAOYSA-N 0 0 225.357 3.250 20 70 BGIDRN CCSCCNc1ccccc1OC(F)F ZINC000161261970 349411571 /nfs/dbraw/zinc/41/15/71/349411571.db2.gz ZNBOKSGDKCIKIL-UHFFFAOYSA-N 0 0 247.310 3.453 20 70 BGIDRN CCSCCNc1ccccc1CC ZINC000161262113 200710885 /nfs/dbraw/zinc/71/08/85/200710885.db2.gz RVNRMJYQVKYDLG-UHFFFAOYSA-N 0 0 209.358 3.414 20 70 BGIDRN CCSCCNc1ccc(F)cc1C ZINC000161262264 136273886 /nfs/dbraw/zinc/27/38/86/136273886.db2.gz FRFKMQGWVMYCAQ-UHFFFAOYSA-N 0 0 213.321 3.299 20 70 BGIDRN CCSCCNc1cc(F)cc(F)c1 ZINC000161262641 384954510 /nfs/dbraw/zinc/95/45/10/384954510.db2.gz GWNBCABAWAQWLW-UHFFFAOYSA-N 0 0 217.284 3.130 20 70 BGIDRN CCSCCNc1cc(F)ccc1F ZINC000161262900 133512440 /nfs/dbraw/zinc/51/24/40/133512440.db2.gz QMWUZRAWCWIDLK-UHFFFAOYSA-N 0 0 217.284 3.130 20 70 BGIDRN CCSCCNc1c(C)cccc1C ZINC000161263503 346166128 /nfs/dbraw/zinc/16/61/28/346166128.db2.gz VKPABFBCZBSCMK-UHFFFAOYSA-N 0 0 209.358 3.468 20 70 BGIDRN CCSCCNc1ccc(F)c(F)c1F ZINC000161263630 133512789 /nfs/dbraw/zinc/51/27/89/133512789.db2.gz YIYUZUYLDLWHJA-UHFFFAOYSA-N 0 0 235.274 3.269 20 70 BGIDRN CCSCCNc1ccc(CC)cc1 ZINC000161264039 384959134 /nfs/dbraw/zinc/95/91/34/384959134.db2.gz KDILGNIBYBMXGD-UHFFFAOYSA-N 0 0 209.358 3.414 20 70 BGIDRN CCOc1ccc(NCCSCC)cc1 ZINC000161264183 170552454 /nfs/dbraw/zinc/55/24/54/170552454.db2.gz GXCJSTQEBRJAAA-UHFFFAOYSA-N 0 0 225.357 3.250 20 70 BGIDRN CCSCCNc1cc(C)cc(C)c1 ZINC000161264455 384476280 /nfs/dbraw/zinc/47/62/80/384476280.db2.gz MCFDJFCVQXRYQH-UHFFFAOYSA-N 0 0 209.358 3.468 20 70 BGIDRN CCSCCNc1ccc(OC(F)F)cc1 ZINC000161264773 384476216 /nfs/dbraw/zinc/47/62/16/384476216.db2.gz DUBFGRYMBZFICW-UHFFFAOYSA-N 0 0 247.310 3.453 20 70 BGIDRN CCSCCNc1cccc(F)c1F ZINC000161265174 349411537 /nfs/dbraw/zinc/41/15/37/349411537.db2.gz JBZHMWBBQJRHGB-UHFFFAOYSA-N 0 0 217.284 3.130 20 70 BGIDRN CCSCCNc1ccc(OC)cc1C ZINC000161265312 384959513 /nfs/dbraw/zinc/95/95/13/384959513.db2.gz BDQKSKCJLNCLOL-UHFFFAOYSA-N 0 0 225.357 3.169 20 70 BGIDRN CCSCCNc1cc(F)c(F)c(F)c1 ZINC000161265450 346165985 /nfs/dbraw/zinc/16/59/85/346165985.db2.gz XWZIJWVQLNXENX-UHFFFAOYSA-N 0 0 235.274 3.269 20 70 BGIDRN COCCS[C@H](C)c1ccccc1C ZINC000161266966 174376726 /nfs/dbraw/zinc/37/67/26/174376726.db2.gz YOXOBGWXQLGFIJ-LLVKDONJSA-N 0 0 210.342 3.436 20 70 BGIDRN COCCS[C@@H](C)c1ccccc1C ZINC000161267084 174376444 /nfs/dbraw/zinc/37/64/44/174376444.db2.gz YOXOBGWXQLGFIJ-NSHDSACASA-N 0 0 210.342 3.436 20 70 BGIDRN CC1CCN(Cc2csc(C3CC3)n2)CC1 ZINC000161268792 349413727 /nfs/dbraw/zinc/41/37/27/349413727.db2.gz JFFRGFZTPYQQSJ-UHFFFAOYSA-N 0 0 236.384 3.252 20 70 BGIDRN CC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1CC ZINC000161270479 387172237 /nfs/dbraw/zinc/17/22/37/387172237.db2.gz XCTSOBRIBRGSFD-XQQFMLRXSA-N 0 0 225.376 3.460 20 70 BGIDRN CC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1CC ZINC000161270579 387172033 /nfs/dbraw/zinc/17/20/33/387172033.db2.gz XCTSOBRIBRGSFD-AVGNSLFASA-N 0 0 225.376 3.460 20 70 BGIDRN CC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1CC ZINC000161270709 323480783 /nfs/dbraw/zinc/48/07/83/323480783.db2.gz XCTSOBRIBRGSFD-YNEHKIRRSA-N 0 0 225.376 3.460 20 70 BGIDRN CC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1CC ZINC000161270826 387172514 /nfs/dbraw/zinc/17/25/14/387172514.db2.gz XCTSOBRIBRGSFD-RWMBFGLXSA-N 0 0 225.376 3.460 20 70 BGIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C1CCC1 ZINC000161271995 323484670 /nfs/dbraw/zinc/48/46/70/323484670.db2.gz KMCPGAYMDVMHAQ-YPMHNXCESA-N 0 0 223.360 3.214 20 70 BGIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)C1CCC1 ZINC000161272113 387175549 /nfs/dbraw/zinc/17/55/49/387175549.db2.gz KMCPGAYMDVMHAQ-AAEUAGOBSA-N 0 0 223.360 3.214 20 70 BGIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)C1CCC1 ZINC000161272228 323485189 /nfs/dbraw/zinc/48/51/89/323485189.db2.gz KMCPGAYMDVMHAQ-DGCLKSJQSA-N 0 0 223.360 3.214 20 70 BGIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)C1CCC1 ZINC000161272353 323485335 /nfs/dbraw/zinc/48/53/35/323485335.db2.gz KMCPGAYMDVMHAQ-WCQYABFASA-N 0 0 223.360 3.214 20 70 BGIDRN C[C@@H]1CCCCN1Cc1csc(C2CC2)n1 ZINC000161273114 349413620 /nfs/dbraw/zinc/41/36/20/349413620.db2.gz NGLCCGOSJOLKEQ-SNVBAGLBSA-N 0 0 236.384 3.395 20 70 BGIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CC(C)C ZINC000161273168 323485404 /nfs/dbraw/zinc/48/54/04/323485404.db2.gz JUTDWZPMMOILRG-OLZOCXBDSA-N 0 0 225.376 3.460 20 70 BGIDRN C[C@H]1CCCCN1Cc1csc(C2CC2)n1 ZINC000161273251 349413739 /nfs/dbraw/zinc/41/37/39/349413739.db2.gz NGLCCGOSJOLKEQ-JTQLQIEISA-N 0 0 236.384 3.395 20 70 BGIDRN CC[C@H]1CCCC[C@@H]1N(C)C(=O)CC(C)C ZINC000161273302 387175671 /nfs/dbraw/zinc/17/56/71/387175671.db2.gz JUTDWZPMMOILRG-STQMWFEESA-N 0 0 225.376 3.460 20 70 BGIDRN CC[C@@H]1CCCC[C@H]1N(C)C(=O)CC(C)C ZINC000161273435 323485514 /nfs/dbraw/zinc/48/55/14/323485514.db2.gz JUTDWZPMMOILRG-CHWSQXEVSA-N 0 0 225.376 3.460 20 70 BGIDRN CC[C@H]1CCCC[C@H]1N(C)C(=O)CC(C)C ZINC000161273556 323485339 /nfs/dbraw/zinc/48/53/39/323485339.db2.gz JUTDWZPMMOILRG-QWHCGFSZSA-N 0 0 225.376 3.460 20 70 BGIDRN c1csc(Cn2cc(-c3ccccc3)cn2)n1 ZINC000161281318 384957941 /nfs/dbraw/zinc/95/79/41/384957941.db2.gz WJKGVDUDXNZPIS-UHFFFAOYSA-N 0 0 241.319 3.055 20 70 BGIDRN CC[C@H](SC)c1nc(CC(C)C)no1 ZINC000161286506 133512623 /nfs/dbraw/zinc/51/26/23/133512623.db2.gz JTGRNQDYKXIIRU-QMMMGPOBSA-N 0 0 214.334 3.082 20 70 BGIDRN CC[C@@H](SC)c1nc(CC(C)C)no1 ZINC000161286605 411293259 /nfs/dbraw/zinc/29/32/59/411293259.db2.gz JTGRNQDYKXIIRU-MRVPVSSYSA-N 0 0 214.334 3.082 20 70 BGIDRN O=C(CSc1ccccc1)C1CCC1 ZINC000161288923 182009843 /nfs/dbraw/zinc/00/98/43/182009843.db2.gz LOYFRDOGAXQHKV-UHFFFAOYSA-N 0 0 206.310 3.148 20 70 BGIDRN O=C(CSc1ccccc1F)C1CCC1 ZINC000161292527 182009706 /nfs/dbraw/zinc/00/97/06/182009706.db2.gz BHKZYWSQDOXSQV-UHFFFAOYSA-N 0 0 224.300 3.287 20 70 BGIDRN O=C(CSc1ccc(F)cc1)C1CCC1 ZINC000161292826 182009538 /nfs/dbraw/zinc/00/95/38/182009538.db2.gz MUAAXLIUJWPSPI-UHFFFAOYSA-N 0 0 224.300 3.287 20 70 BGIDRN Cc1ccc(SCC(=O)C2CCC2)cc1 ZINC000161292966 187830704 /nfs/dbraw/zinc/83/07/04/187830704.db2.gz UPGOLPBTEQNUGA-UHFFFAOYSA-N 0 0 220.337 3.456 20 70 BGIDRN Cc1cccc(SCC(=O)C2CCC2)c1 ZINC000161293098 384961443 /nfs/dbraw/zinc/96/14/43/384961443.db2.gz CNLDBOIMXBNDKH-UHFFFAOYSA-N 0 0 220.337 3.456 20 70 BGIDRN Cc1ccccc1SCC(=O)C1CCC1 ZINC000161293242 179315166 /nfs/dbraw/zinc/31/51/66/179315166.db2.gz DSOUDTYGZCESFU-UHFFFAOYSA-N 0 0 220.337 3.456 20 70 BGIDRN CN(Cc1csc(C2CC2)n1)Cc1ccco1 ZINC000161293339 384480947 /nfs/dbraw/zinc/48/09/47/384480947.db2.gz GTOZVZDHCKWJOQ-UHFFFAOYSA-N 0 0 248.351 3.246 20 70 BGIDRN Cc1ccc(NC(=O)NC2CCCCCC2)cn1 ZINC000161300372 538915278 /nfs/dbraw/zinc/91/52/78/538915278.db2.gz PMVJYQCVSKHDKK-UHFFFAOYSA-N 0 0 247.342 3.234 20 70 BGIDRN Cc1ccc(NC(=O)N[C@@H](C)CCC(C)C)cn1 ZINC000161300516 538915184 /nfs/dbraw/zinc/91/51/84/538915184.db2.gz VAIYXXRJYDZQKD-LBPRGKRZSA-N 0 0 249.358 3.336 20 70 BGIDRN Cc1ccc(NC(=O)N[C@H](C)CCC(C)C)cn1 ZINC000161300640 538915274 /nfs/dbraw/zinc/91/52/74/538915274.db2.gz VAIYXXRJYDZQKD-GFCCVEGCSA-N 0 0 249.358 3.336 20 70 BGIDRN Fc1cc(F)cc(OCc2nccs2)c1 ZINC000161302858 323075929 /nfs/dbraw/zinc/07/59/29/323075929.db2.gz GCVAGRJWKWMSQF-UHFFFAOYSA-N 0 0 227.235 3.000 20 70 BGIDRN COCCSCc1c(C)cccc1C ZINC000161312757 323075902 /nfs/dbraw/zinc/07/59/02/323075902.db2.gz XBSWWGWXIWQMOW-UHFFFAOYSA-N 0 0 210.342 3.183 20 70 BGIDRN CCc1ccc(/C=C/C(=O)N(C)CCC2CC2)o1 ZINC000161312806 171781641 /nfs/dbraw/zinc/78/16/41/171781641.db2.gz VQLOBKMNHUPLIV-CMDGGOBGSA-N 0 0 247.338 3.114 20 70 BGIDRN CC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C)nc1 ZINC000161314610 538915371 /nfs/dbraw/zinc/91/53/71/538915371.db2.gz SFTVIKDSMOIWLP-YPMHNXCESA-N 0 0 247.342 3.090 20 70 BGIDRN CC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(C)nc1 ZINC000161314709 538915251 /nfs/dbraw/zinc/91/52/51/538915251.db2.gz SFTVIKDSMOIWLP-AAEUAGOBSA-N 0 0 247.342 3.090 20 70 BGIDRN CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(C)nc1 ZINC000161314846 538915309 /nfs/dbraw/zinc/91/53/09/538915309.db2.gz SFTVIKDSMOIWLP-DGCLKSJQSA-N 0 0 247.342 3.090 20 70 BGIDRN CC[C@H]1CCC[C@H]1NC(=O)Nc1ccc(C)nc1 ZINC000161314967 538915332 /nfs/dbraw/zinc/91/53/32/538915332.db2.gz SFTVIKDSMOIWLP-WCQYABFASA-N 0 0 247.342 3.090 20 70 BGIDRN Fc1cccc(OCc2nccs2)c1F ZINC000161316092 323490271 /nfs/dbraw/zinc/49/02/71/323490271.db2.gz QMWBUXRKZOSPIA-UHFFFAOYSA-N 0 0 227.235 3.000 20 70 BGIDRN CC[C@H](Nc1cnn(CC)c1)c1ccc(F)cn1 ZINC000161317930 349420474 /nfs/dbraw/zinc/42/04/74/349420474.db2.gz FPLCLHQHPAOOLM-LBPRGKRZSA-N 0 0 248.305 3.000 20 70 BGIDRN CC[C@@H](Nc1cnn(CC)c1)c1ccc(F)cn1 ZINC000161318040 535810019 /nfs/dbraw/zinc/81/00/19/535810019.db2.gz FPLCLHQHPAOOLM-GFCCVEGCSA-N 0 0 248.305 3.000 20 70 BGIDRN CC(C)n1cccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000161325691 167767868 /nfs/dbraw/zinc/76/78/68/167767868.db2.gz YCHNMGAZWHPSTK-BETUJISGSA-N 0 0 248.370 3.187 20 70 BGIDRN Cc1ccsc1CCCC(=O)N(C)C1CC1 ZINC000161325731 384970464 /nfs/dbraw/zinc/97/04/64/384970464.db2.gz LDCZOXDSBDZQBL-UHFFFAOYSA-N 0 0 237.368 3.000 20 70 BGIDRN CC(C)n1cccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000161325784 167768303 /nfs/dbraw/zinc/76/83/03/167768303.db2.gz YCHNMGAZWHPSTK-STQMWFEESA-N 0 0 248.370 3.187 20 70 BGIDRN CC(C)n1cccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000161325908 384480023 /nfs/dbraw/zinc/48/00/23/384480023.db2.gz YCHNMGAZWHPSTK-CHWSQXEVSA-N 0 0 248.370 3.187 20 70 BGIDRN CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000161326711 387190678 /nfs/dbraw/zinc/19/06/78/387190678.db2.gz ZTYTZWWMIFDIFF-NGFQHRJXSA-N 0 0 249.398 3.460 20 70 BGIDRN C/C=C/CS[C@@H](C)C(=O)OC(C)(C)C ZINC000161331563 384482854 /nfs/dbraw/zinc/48/28/54/384482854.db2.gz ARJZKWDHGUCSOL-UCUJLANTSA-N 0 0 216.346 3.026 20 70 BGIDRN C/C=C/CS[C@H](C)C(=O)OC(C)(C)C ZINC000161331690 188159217 /nfs/dbraw/zinc/15/92/17/188159217.db2.gz ARJZKWDHGUCSOL-XCODYQFDSA-N 0 0 216.346 3.026 20 70 BGIDRN c1csc(Cn2ccc(-c3ccccc3)n2)n1 ZINC000161337073 384965877 /nfs/dbraw/zinc/96/58/77/384965877.db2.gz NJYKABLNILNUIO-UHFFFAOYSA-N 0 0 241.319 3.055 20 70 BGIDRN Cc1ccccc1SCc1ccnn1C ZINC000161345573 323496026 /nfs/dbraw/zinc/49/60/26/323496026.db2.gz NOSDOSWCFUWXQL-UHFFFAOYSA-N 0 0 218.325 3.021 20 70 BGIDRN CC[C@H](Nc1ccc(C)nc1)c1ccc(F)cn1 ZINC000161350599 411294186 /nfs/dbraw/zinc/29/41/86/411294186.db2.gz DKGUJNVVCOYDQB-ZDUSSCGKSA-N 0 0 245.301 3.487 20 70 BGIDRN CC[C@@H](Nc1ccc(C)nc1)c1ccc(F)cn1 ZINC000161350722 411294057 /nfs/dbraw/zinc/29/40/57/411294057.db2.gz DKGUJNVVCOYDQB-CYBMUJFWSA-N 0 0 245.301 3.487 20 70 BGIDRN Cc1cccc(SCc2ccnn2C)c1 ZINC000161351356 179177876 /nfs/dbraw/zinc/17/78/76/179177876.db2.gz PMAXKEPVOJFLTK-UHFFFAOYSA-N 0 0 218.325 3.021 20 70 BGIDRN Cn1nccc1CSc1cccc(Cl)c1 ZINC000161362085 323507128 /nfs/dbraw/zinc/50/71/28/323507128.db2.gz SZNKAOXWDKITDD-UHFFFAOYSA-N 0 0 238.743 3.366 20 70 BGIDRN CC(=O)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000161363770 384483534 /nfs/dbraw/zinc/48/35/34/384483534.db2.gz ZORBGQKENBSHON-MRXNPFEDSA-N 0 0 245.366 3.410 20 70 BGIDRN CC(=O)N1CCCC[C@H]1CCCc1ccccc1 ZINC000161363885 188335136 /nfs/dbraw/zinc/33/51/36/188335136.db2.gz ZORBGQKENBSHON-INIZCTEOSA-N 0 0 245.366 3.410 20 70 BGIDRN COc1ccc(OCc2nccs2)cc1C ZINC000161371010 384483838 /nfs/dbraw/zinc/48/38/38/384483838.db2.gz IOCYAPNZIWNNGH-UHFFFAOYSA-N 0 0 235.308 3.039 20 70 BGIDRN Cc1ccc(C)c(CSCc2ccnn2C)c1 ZINC000161375311 398128021 /nfs/dbraw/zinc/12/80/21/398128021.db2.gz QMSQVGIRHKWONB-UHFFFAOYSA-N 0 0 246.379 3.470 20 70 BGIDRN Cc1cccc(C(=O)N2CCCCCC2)c1F ZINC000161384239 179006884 /nfs/dbraw/zinc/00/68/84/179006884.db2.gz YGBREJKGYFRGQU-UHFFFAOYSA-N 0 0 235.302 3.150 20 70 BGIDRN CCC[C@H](C(=O)NCCC(C)C)C(C)C ZINC000161385166 323075904 /nfs/dbraw/zinc/07/59/04/323075904.db2.gz PJQCUNDEECNLTI-LBPRGKRZSA-N 0 0 213.365 3.221 20 70 BGIDRN CCC[C@@H](C(=O)NCCC(C)C)C(C)C ZINC000161385251 323075966 /nfs/dbraw/zinc/07/59/66/323075966.db2.gz PJQCUNDEECNLTI-GFCCVEGCSA-N 0 0 213.365 3.221 20 70 BGIDRN CCC1CCN(C(=O)Nc2ccc(C)nc2)CC1 ZINC000161386497 538915243 /nfs/dbraw/zinc/91/52/43/538915243.db2.gz UDSDCNWERDXWHU-UHFFFAOYSA-N 0 0 247.342 3.044 20 70 BGIDRN Cc1cccc(C(=O)NCC2CCCCC2)c1F ZINC000161389106 384995404 /nfs/dbraw/zinc/99/54/04/384995404.db2.gz GHZMSUBIJOGYNB-UHFFFAOYSA-N 0 0 249.329 3.444 20 70 BGIDRN CCC(CC)NC(=O)c1cccc(C)c1F ZINC000161391946 205525174 /nfs/dbraw/zinc/52/51/74/205525174.db2.gz XUIKMESURCHJNT-UHFFFAOYSA-N 0 0 223.291 3.053 20 70 BGIDRN CCC[C@@H](C)NC(=O)c1cccc(C)c1F ZINC000161395514 538915544 /nfs/dbraw/zinc/91/55/44/538915544.db2.gz UMTAVFYHWFNYJA-SNVBAGLBSA-N 0 0 223.291 3.053 20 70 BGIDRN CCC[C@H](C)NC(=O)c1cccc(C)c1F ZINC000161395654 538111618 /nfs/dbraw/zinc/11/16/18/538111618.db2.gz UMTAVFYHWFNYJA-JTQLQIEISA-N 0 0 223.291 3.053 20 70 BGIDRN CCN(Cc1csc(C2CC2)n1)C1CC1 ZINC000161396173 169933672 /nfs/dbraw/zinc/93/36/72/169933672.db2.gz NZCLDRMCSUBIBE-UHFFFAOYSA-N 0 0 222.357 3.005 20 70 BGIDRN CCCN(CC1CC1)C(=O)c1cccc(C)c1F ZINC000161396783 169136669 /nfs/dbraw/zinc/13/66/69/169136669.db2.gz PIKMIKADQMUJIT-UHFFFAOYSA-N 0 0 249.329 3.396 20 70 BGIDRN Cc1cccc(C(=O)NCc2cccs2)c1F ZINC000161398333 349428634 /nfs/dbraw/zinc/42/86/34/349428634.db2.gz HBKAVYYZBZPEKJ-UHFFFAOYSA-N 0 0 249.310 3.126 20 70 BGIDRN Cc1cc(C)cc(C(=O)N2[C@H](C)CC[C@@H]2C)c1 ZINC000161400446 323512122 /nfs/dbraw/zinc/51/21/22/323512122.db2.gz YBZDVBAWHYWTJM-BETUJISGSA-N 0 0 231.339 3.316 20 70 BGIDRN Cc1cc(C)cc(C(=O)N2[C@@H](C)CC[C@@H]2C)c1 ZINC000161400573 387208790 /nfs/dbraw/zinc/20/87/90/387208790.db2.gz YBZDVBAWHYWTJM-STQMWFEESA-N 0 0 231.339 3.316 20 70 BGIDRN Cc1cc(C)cc(C(=O)N2[C@H](C)CC[C@H]2C)c1 ZINC000161400724 323512005 /nfs/dbraw/zinc/51/20/05/323512005.db2.gz YBZDVBAWHYWTJM-CHWSQXEVSA-N 0 0 231.339 3.316 20 70 BGIDRN Cc1ccccc1C(=O)N1[C@H](C)CC[C@@H]1C ZINC000161402343 323511869 /nfs/dbraw/zinc/51/18/69/323511869.db2.gz GSOJIBKSGLEZCX-TXEJJXNPSA-N 0 0 217.312 3.008 20 70 BGIDRN Cc1ccccc1C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000161402477 411438878 /nfs/dbraw/zinc/43/88/78/411438878.db2.gz GSOJIBKSGLEZCX-RYUDHWBXSA-N 0 0 217.312 3.008 20 70 BGIDRN Cc1ccccc1C(=O)N1[C@H](C)CC[C@H]1C ZINC000161402586 323512209 /nfs/dbraw/zinc/51/22/09/323512209.db2.gz GSOJIBKSGLEZCX-VXGBXAGGSA-N 0 0 217.312 3.008 20 70 BGIDRN CS[C@@H](C)CC(=O)Nc1cccc(F)c1F ZINC000161405100 384486337 /nfs/dbraw/zinc/48/63/37/384486337.db2.gz XVSNGESPBGYYQH-ZETCQYMHSA-N 0 0 245.294 3.045 20 70 BGIDRN CS[C@H](C)CC(=O)Nc1cccc(F)c1F ZINC000161405238 384486453 /nfs/dbraw/zinc/48/64/53/384486453.db2.gz XVSNGESPBGYYQH-SSDOTTSWSA-N 0 0 245.294 3.045 20 70 BGIDRN C[C@@H]1CC[C@H](C)N1c1nc2cc(F)ccc2o1 ZINC000161409328 387209940 /nfs/dbraw/zinc/20/99/40/387209940.db2.gz KJCPBKFEUQLAOQ-DTORHVGOSA-N 0 0 234.274 3.344 20 70 BGIDRN C[C@H]1CC[C@H](C)N1c1nc2cc(F)ccc2o1 ZINC000161409464 387208745 /nfs/dbraw/zinc/20/87/45/387208745.db2.gz KJCPBKFEUQLAOQ-IUCAKERBSA-N 0 0 234.274 3.344 20 70 BGIDRN C[C@@H]1CC[C@@H](C)N1c1nc2cc(F)ccc2o1 ZINC000161409609 323512376 /nfs/dbraw/zinc/51/23/76/323512376.db2.gz KJCPBKFEUQLAOQ-RKDXNWHRSA-N 0 0 234.274 3.344 20 70 BGIDRN C[C@@H]1CC[C@H](C)N1C(=O)c1ccc2[nH]ccc2c1 ZINC000161409748 387210218 /nfs/dbraw/zinc/21/02/18/387210218.db2.gz HFIZREBCYSGSMB-PHIMTYICSA-N 0 0 242.322 3.181 20 70 BGIDRN C[C@H]1CC[C@H](C)N1C(=O)c1ccc2[nH]ccc2c1 ZINC000161409867 323512482 /nfs/dbraw/zinc/51/24/82/323512482.db2.gz HFIZREBCYSGSMB-QWRGUYRKSA-N 0 0 242.322 3.181 20 70 BGIDRN C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc2[nH]ccc2c1 ZINC000161410013 387209655 /nfs/dbraw/zinc/20/96/55/387209655.db2.gz HFIZREBCYSGSMB-GHMZBOCLSA-N 0 0 242.322 3.181 20 70 BGIDRN Cc1ccc(/C=C/C(=O)N2[C@H](C)CC[C@@H]2C)o1 ZINC000161410147 323512639 /nfs/dbraw/zinc/51/26/39/323512639.db2.gz QDSIXMFCZGCOII-DKZNMJHJSA-N 0 0 233.311 3.001 20 70 BGIDRN Cc1ccc(/C=C/C(=O)N2[C@H](C)CC[C@H]2C)o1 ZINC000161410407 387209562 /nfs/dbraw/zinc/20/95/62/387209562.db2.gz QDSIXMFCZGCOII-WUNNSPOASA-N 0 0 233.311 3.001 20 70 BGIDRN CC(C)C(=O)Nc1scnc1-c1ccccc1 ZINC000161411676 323512824 /nfs/dbraw/zinc/51/28/24/323512824.db2.gz PZRASHBQQBNDOV-UHFFFAOYSA-N 0 0 246.335 3.405 20 70 BGIDRN CC(C)(C)C[C@@H](CO)Nc1nc2ccccc2o1 ZINC000161423415 385032131 /nfs/dbraw/zinc/03/21/31/385032131.db2.gz ARIFNLBXGWRCGF-JTQLQIEISA-N 0 0 248.326 3.037 20 70 BGIDRN CC(C)(C)C[C@H](CO)Nc1nc2ccccc2o1 ZINC000161423541 385030158 /nfs/dbraw/zinc/03/01/58/385030158.db2.gz ARIFNLBXGWRCGF-SNVBAGLBSA-N 0 0 248.326 3.037 20 70 BGIDRN CC[C@@H](C)Cn1nc(C2CC2)nc1C1CC1 ZINC000161424395 323512416 /nfs/dbraw/zinc/51/24/16/323512416.db2.gz XZIOGZVRUYSHKM-SECBINFHSA-N 0 0 219.332 3.079 20 70 BGIDRN CC[C@H](C)Cn1nc(C2CC2)nc1C1CC1 ZINC000161424531 387209322 /nfs/dbraw/zinc/20/93/22/387209322.db2.gz XZIOGZVRUYSHKM-VIFPVBQESA-N 0 0 219.332 3.079 20 70 BGIDRN Cc1ccc(NC(=O)N(C)[C@@H](C)C2(C)CC2)cn1 ZINC000161424657 538915549 /nfs/dbraw/zinc/91/55/49/538915549.db2.gz KLYGUHLYRKZBLE-NSHDSACASA-N 0 0 247.342 3.042 20 70 BGIDRN Cc1ccc(NC(=O)N(C)[C@H](C)C2(C)CC2)cn1 ZINC000161424794 538915600 /nfs/dbraw/zinc/91/56/00/538915600.db2.gz KLYGUHLYRKZBLE-LLVKDONJSA-N 0 0 247.342 3.042 20 70 BGIDRN c1ccc(Cn2nc(C3CC3)nc2C2CC2)cc1 ZINC000161428359 384487372 /nfs/dbraw/zinc/48/73/72/384487372.db2.gz KDHVFNWBSVZXQE-UHFFFAOYSA-N 0 0 239.322 3.081 20 70 BGIDRN Cc1cccc(C(=O)NC(C2CC2)C2CC2)c1F ZINC000161429099 179015015 /nfs/dbraw/zinc/01/50/15/179015015.db2.gz KTJUUPDNZDLEGP-UHFFFAOYSA-N 0 0 247.313 3.053 20 70 BGIDRN CC(C)N(C)C(=O)C1CCC(C)(C)CC1 ZINC000161429112 323513233 /nfs/dbraw/zinc/51/32/33/323513233.db2.gz USCNFHNKOYQOSB-UHFFFAOYSA-N 0 0 211.349 3.070 20 70 BGIDRN CCC[C@@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000161431088 387208764 /nfs/dbraw/zinc/20/87/64/387208764.db2.gz YYGFNPJBRHANMY-GFCCVEGCSA-N 0 0 238.375 3.151 20 70 BGIDRN CCC[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000161431239 323513459 /nfs/dbraw/zinc/51/34/59/323513459.db2.gz YYGFNPJBRHANMY-LBPRGKRZSA-N 0 0 238.375 3.151 20 70 BGIDRN O=C(Nc1scnc1-c1ccccc1)C1CC1 ZINC000161434243 369066256 /nfs/dbraw/zinc/06/62/56/369066256.db2.gz CHEAQUMIQFHRSA-UHFFFAOYSA-N 0 0 244.319 3.159 20 70 BGIDRN Cc1cccc(C(=O)NCCC2CCCC2)c1F ZINC000161434945 385040764 /nfs/dbraw/zinc/04/07/64/385040764.db2.gz BLGRTXVDYDTAHM-UHFFFAOYSA-N 0 0 249.329 3.444 20 70 BGIDRN Cc1cccc(C(=O)N(C)[C@@H](C)C(C)C)c1F ZINC000161436622 179005292 /nfs/dbraw/zinc/00/52/92/179005292.db2.gz OSEUYEFFAIVMDH-NSHDSACASA-N 0 0 237.318 3.251 20 70 BGIDRN Cc1cccc(C(=O)N(C)[C@H](C)C(C)C)c1F ZINC000161436759 179004944 /nfs/dbraw/zinc/00/49/44/179004944.db2.gz OSEUYEFFAIVMDH-LLVKDONJSA-N 0 0 237.318 3.251 20 70 BGIDRN CC[C@]1(C)C[C@@H]1C(=O)N(C)[C@@H](C)c1ccco1 ZINC000161439605 387211707 /nfs/dbraw/zinc/21/17/07/387211707.db2.gz PIELVYLWZIDWEF-MISXGVKJSA-N 0 0 235.327 3.235 20 70 BGIDRN CC[C@]1(C)C[C@H]1C(=O)N(C)[C@@H](C)c1ccco1 ZINC000161439883 323514185 /nfs/dbraw/zinc/51/41/85/323514185.db2.gz PIELVYLWZIDWEF-COPLHBTASA-N 0 0 235.327 3.235 20 70 BGIDRN C[C@H](C(=O)N1CCc2c1cccc2Cl)C1CC1 ZINC000161440532 323514965 /nfs/dbraw/zinc/51/49/65/323514965.db2.gz YNUBFRORDHGLQV-VIFPVBQESA-N 0 0 249.741 3.275 20 70 BGIDRN C[C@@H](C(=O)N1CCc2c1cccc2Cl)C1CC1 ZINC000161440663 387211264 /nfs/dbraw/zinc/21/12/64/387211264.db2.gz YNUBFRORDHGLQV-SECBINFHSA-N 0 0 249.741 3.275 20 70 BGIDRN Cc1cccc(C(=O)NCCCC(C)C)c1F ZINC000161444784 385051279 /nfs/dbraw/zinc/05/12/79/385051279.db2.gz DJEZBHPZCITIMY-UHFFFAOYSA-N 0 0 237.318 3.300 20 70 BGIDRN CCCN(CC)C(=O)c1cccc(C)c1F ZINC000161445273 169119349 /nfs/dbraw/zinc/11/93/49/169119349.db2.gz JHNMJILCOOHIFO-UHFFFAOYSA-N 0 0 223.291 3.006 20 70 BGIDRN Cc1cccc(C(=O)N(C)CCC(C)C)c1F ZINC000161445698 538915786 /nfs/dbraw/zinc/91/57/86/538915786.db2.gz SYBJSNTYQILKIN-UHFFFAOYSA-N 0 0 237.318 3.252 20 70 BGIDRN CCN(CC(C)C)C(=O)c1cccc(C)c1F ZINC000161445830 384490972 /nfs/dbraw/zinc/49/09/72/384490972.db2.gz PSTFZZRXARDUBB-UHFFFAOYSA-N 0 0 237.318 3.252 20 70 BGIDRN CCCCc1noc(CSCCCF)n1 ZINC000161446883 384491250 /nfs/dbraw/zinc/49/12/50/384491250.db2.gz RHQODCBPSWCNSD-UHFFFAOYSA-N 0 0 232.324 3.005 20 70 BGIDRN C(C1CCCC1)n1nc(C2CC2)nc1C1CC1 ZINC000161447482 387214323 /nfs/dbraw/zinc/21/43/23/387214323.db2.gz AQJUZSQSVBRBSM-UHFFFAOYSA-N 0 0 231.343 3.223 20 70 BGIDRN Cc1cccc(C(=O)NCC2CCCC2)c1F ZINC000161449030 349452014 /nfs/dbraw/zinc/45/20/14/349452014.db2.gz UTMAYFWDRWJUIM-UHFFFAOYSA-N 0 0 235.302 3.054 20 70 BGIDRN CC(C)(C)CCCNC(=O)NC1(C)CCC1 ZINC000161450751 387214926 /nfs/dbraw/zinc/21/49/26/387214926.db2.gz BZGBNHKITDSBTI-UHFFFAOYSA-N 0 0 226.364 3.055 20 70 BGIDRN COCC(C)(C)c1nc(C2CCCCC2)no1 ZINC000161450805 538915831 /nfs/dbraw/zinc/91/58/31/538915831.db2.gz LKLAGVDWVOAPNS-UHFFFAOYSA-N 0 0 238.331 3.041 20 70 BGIDRN CC(C)(C)C[C@@H](CO)Nc1nccc2occc21 ZINC000161451924 385069252 /nfs/dbraw/zinc/06/92/52/385069252.db2.gz NJXONHSCMQNNKD-JTQLQIEISA-N 0 0 248.326 3.037 20 70 BGIDRN CC(C)(C)C[C@H](CO)Nc1nccc2occc21 ZINC000161452043 385069918 /nfs/dbraw/zinc/06/99/18/385069918.db2.gz NJXONHSCMQNNKD-SNVBAGLBSA-N 0 0 248.326 3.037 20 70 BGIDRN Cc1cccc(C(=O)N(CC2CC2)C(C)C)c1F ZINC000161452735 387216784 /nfs/dbraw/zinc/21/67/84/387216784.db2.gz VGMSODHNLKBYLQ-UHFFFAOYSA-N 0 0 249.329 3.395 20 70 BGIDRN Cc1cccc(C(=O)N(C)[C@@H](C)C2CC2)c1F ZINC000161453664 179005836 /nfs/dbraw/zinc/00/58/36/179005836.db2.gz IRMXYVLLVPOYOX-JTQLQIEISA-N 0 0 235.302 3.005 20 70 BGIDRN Cc1cccc(C(=O)N(C)[C@H](C)C2CC2)c1F ZINC000161453784 179005747 /nfs/dbraw/zinc/00/57/47/179005747.db2.gz IRMXYVLLVPOYOX-SNVBAGLBSA-N 0 0 235.302 3.005 20 70 BGIDRN CCO[C@H](C)c1nccn1C[C@H](C)CC ZINC000161454320 323520195 /nfs/dbraw/zinc/52/01/95/323520195.db2.gz LAYXFVZXUGDOGE-GHMZBOCLSA-N 0 0 210.321 3.027 20 70 BGIDRN CCO[C@H](C)c1nccn1C[C@@H](C)CC ZINC000161454459 323075932 /nfs/dbraw/zinc/07/59/32/323075932.db2.gz LAYXFVZXUGDOGE-WDEREUQCSA-N 0 0 210.321 3.027 20 70 BGIDRN CCO[C@@H](C)c1nccn1C[C@H](C)CC ZINC000161454584 387216950 /nfs/dbraw/zinc/21/69/50/387216950.db2.gz LAYXFVZXUGDOGE-MNOVXSKESA-N 0 0 210.321 3.027 20 70 BGIDRN CCO[C@@H](C)c1nccn1C[C@@H](C)CC ZINC000161454710 387217524 /nfs/dbraw/zinc/21/75/24/387217524.db2.gz LAYXFVZXUGDOGE-QWRGUYRKSA-N 0 0 210.321 3.027 20 70 BGIDRN CCC[C@@H](C)N(C)C(=O)c1cccc(C)c1F ZINC000161456500 169363740 /nfs/dbraw/zinc/36/37/40/169363740.db2.gz GOXSPTCUPRUYIA-LLVKDONJSA-N 0 0 237.318 3.395 20 70 BGIDRN CCC[C@H](C)N(C)C(=O)c1cccc(C)c1F ZINC000161456635 384490540 /nfs/dbraw/zinc/49/05/40/384490540.db2.gz GOXSPTCUPRUYIA-NSHDSACASA-N 0 0 237.318 3.395 20 70 BGIDRN Cc1cccc(C(=O)NCc2ccsc2)c1F ZINC000161458280 349454002 /nfs/dbraw/zinc/45/40/02/349454002.db2.gz WVZPPOFAWLQRPD-UHFFFAOYSA-N 0 0 249.310 3.126 20 70 BGIDRN CC[C@@H]1CCCN(C(=O)c2cccc(C)c2F)C1 ZINC000161459429 349454988 /nfs/dbraw/zinc/45/49/88/349454988.db2.gz DWEUJNNGFZISMQ-GFCCVEGCSA-N 0 0 249.329 3.396 20 70 BGIDRN CC[C@H]1CCCN(C(=O)c2cccc(C)c2F)C1 ZINC000161459530 349455001 /nfs/dbraw/zinc/45/50/01/349455001.db2.gz DWEUJNNGFZISMQ-LBPRGKRZSA-N 0 0 249.329 3.396 20 70 BGIDRN Cc1ccc(NC(=O)N2CCCC(C)(C)C2)cn1 ZINC000161460226 538915726 /nfs/dbraw/zinc/91/57/26/538915726.db2.gz DKWONGXAORWCGP-UHFFFAOYSA-N 0 0 247.342 3.044 20 70 BGIDRN Cc1ccc(NC(=O)Nc2ccccc2C)cn1 ZINC000161462467 323525454 /nfs/dbraw/zinc/52/54/54/323525454.db2.gz BTEMFBFERUQANW-UHFFFAOYSA-N 0 0 241.294 3.342 20 70 BGIDRN Cc1ccc(NC(=O)N2CCC[C@H](C)CC2)cn1 ZINC000161463261 538915812 /nfs/dbraw/zinc/91/58/12/538915812.db2.gz ZQEOERPYYVUHDJ-NSHDSACASA-N 0 0 247.342 3.044 20 70 BGIDRN Cc1ccc(NC(=O)N2CCC[C@@H](C)CC2)cn1 ZINC000161463384 538915737 /nfs/dbraw/zinc/91/57/37/538915737.db2.gz ZQEOERPYYVUHDJ-LLVKDONJSA-N 0 0 247.342 3.044 20 70 BGIDRN CC[C@@H]1CCC[C@H](NC(=O)NC2(C)CCC2)C1 ZINC000161463677 323525667 /nfs/dbraw/zinc/52/56/67/323525667.db2.gz MSLDTWODPZDTNM-NEPJUHHUSA-N 0 0 238.375 3.197 20 70 BGIDRN CC[C@H]1CCC[C@H](NC(=O)NC2(C)CCC2)C1 ZINC000161463801 323525670 /nfs/dbraw/zinc/52/56/70/323525670.db2.gz MSLDTWODPZDTNM-RYUDHWBXSA-N 0 0 238.375 3.197 20 70 BGIDRN CC[C@@H]1CCC[C@@H](NC(=O)NC2(C)CCC2)C1 ZINC000161463934 387220859 /nfs/dbraw/zinc/22/08/59/387220859.db2.gz MSLDTWODPZDTNM-VXGBXAGGSA-N 0 0 238.375 3.197 20 70 BGIDRN CC[C@H]1CCC[C@@H](NC(=O)NC2(C)CCC2)C1 ZINC000161464045 323525710 /nfs/dbraw/zinc/52/57/10/323525710.db2.gz MSLDTWODPZDTNM-NWDGAFQWSA-N 0 0 238.375 3.197 20 70 BGIDRN CCc1nc(CSCCCF)cs1 ZINC000161464749 346212560 /nfs/dbraw/zinc/21/25/60/346212560.db2.gz IXVKKKRSEIMWCD-UHFFFAOYSA-N 0 0 219.350 3.298 20 70 BGIDRN Cc1ccc(NC(=O)NCC2(C)CCCC2)cn1 ZINC000161464919 538915783 /nfs/dbraw/zinc/91/57/83/538915783.db2.gz XSCMGJBSOIPJTB-UHFFFAOYSA-N 0 0 247.342 3.092 20 70 BGIDRN CCN(C(=O)c1cccc(C)c1F)C(C)C ZINC000161470310 385084910 /nfs/dbraw/zinc/08/49/10/385084910.db2.gz XSBZJOIXLQWOEK-UHFFFAOYSA-N 0 0 223.291 3.005 20 70 BGIDRN CCCC(=O)Nc1n[nH]c(-c2ccc(C)o2)c1C ZINC000161470956 384492805 /nfs/dbraw/zinc/49/28/05/384492805.db2.gz HCZZOGBIHPWXOU-UHFFFAOYSA-N 0 0 247.298 3.025 20 70 BGIDRN Cc1ccc(CCNC(=O)[C@@H]2CC2(C)C)c(C)c1 ZINC000161474880 349457254 /nfs/dbraw/zinc/45/72/54/349457254.db2.gz GBEQYWLKKOOMNH-AWEZNQCLSA-N 0 0 245.366 3.008 20 70 BGIDRN CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(C)c1F ZINC000161478149 385089226 /nfs/dbraw/zinc/08/92/26/385089226.db2.gz IDEWKWFXPOFVHC-MWLCHTKSSA-N 0 0 237.318 3.299 20 70 BGIDRN CC[C@H](C)[C@@H](C)NC(=O)c1cccc(C)c1F ZINC000161478273 385090477 /nfs/dbraw/zinc/09/04/77/385090477.db2.gz IDEWKWFXPOFVHC-GXSJLCMTSA-N 0 0 237.318 3.299 20 70 BGIDRN CC[C@@H](C)[C@H](C)NC(=O)c1cccc(C)c1F ZINC000161478392 385088940 /nfs/dbraw/zinc/08/89/40/385088940.db2.gz IDEWKWFXPOFVHC-KOLCDFICSA-N 0 0 237.318 3.299 20 70 BGIDRN CC[C@H](C)[C@H](C)NC(=O)c1cccc(C)c1F ZINC000161478512 200712522 /nfs/dbraw/zinc/71/25/22/200712522.db2.gz IDEWKWFXPOFVHC-ONGXEEELSA-N 0 0 237.318 3.299 20 70 BGIDRN CCC1CCN(C(=O)c2cccc(C)c2F)CC1 ZINC000161483459 385769659 /nfs/dbraw/zinc/76/96/59/385769659.db2.gz GYPITQFDTVETEC-UHFFFAOYSA-N 0 0 249.329 3.396 20 70 BGIDRN CC(C)CCn1nc(C2CC2)nc1C1CC1 ZINC000161488198 200712633 /nfs/dbraw/zinc/71/26/33/200712633.db2.gz DWAWMJUWVFQSOV-UHFFFAOYSA-N 0 0 219.332 3.079 20 70 BGIDRN CC(C)[C@H](C)CC(=O)N1[C@H](C)CC[C@@H]1C ZINC000161490302 323076074 /nfs/dbraw/zinc/07/60/74/323076074.db2.gz ZHROGFSXTVYPJZ-UTUOFQBUSA-N 0 0 211.349 3.068 20 70 BGIDRN CC(C)[C@H](C)CC(=O)N1[C@@H](C)CC[C@@H]1C ZINC000161490393 387227272 /nfs/dbraw/zinc/22/72/72/387227272.db2.gz ZHROGFSXTVYPJZ-WOPDTQHZSA-N 0 0 211.349 3.068 20 70 BGIDRN CC(C)[C@H](C)CC(=O)N1[C@H](C)CC[C@H]1C ZINC000161490555 323075999 /nfs/dbraw/zinc/07/59/99/323075999.db2.gz ZHROGFSXTVYPJZ-IJLUTSLNSA-N 0 0 211.349 3.068 20 70 BGIDRN CC(C)c1noc([C@@H](C)SCCCF)n1 ZINC000161490629 349464669 /nfs/dbraw/zinc/46/46/69/349464669.db2.gz BZFORRWUNKCKKX-MRVPVSSYSA-N 0 0 232.324 3.347 20 70 BGIDRN CC(C)c1noc([C@H](C)SCCCF)n1 ZINC000161490753 349464564 /nfs/dbraw/zinc/46/45/64/349464564.db2.gz BZFORRWUNKCKKX-QMMMGPOBSA-N 0 0 232.324 3.347 20 70 BGIDRN Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](C)C2)cn1 ZINC000161491093 538915796 /nfs/dbraw/zinc/91/57/96/538915796.db2.gz QCLVVUGHSYZTCK-CMPLNLGQSA-N 0 0 247.342 3.090 20 70 BGIDRN Cc1ccc(NC(=O)N[C@H]2CCC[C@H](C)C2)cn1 ZINC000161491203 538915832 /nfs/dbraw/zinc/91/58/32/538915832.db2.gz QCLVVUGHSYZTCK-JQWIXIFHSA-N 0 0 247.342 3.090 20 70 BGIDRN Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H](C)C2)cn1 ZINC000161491324 538915704 /nfs/dbraw/zinc/91/57/04/538915704.db2.gz QCLVVUGHSYZTCK-ZYHUDNBSSA-N 0 0 247.342 3.090 20 70 BGIDRN Cc1ccc(NC(=O)N[C@H]2CCC[C@@H](C)C2)cn1 ZINC000161491447 538915777 /nfs/dbraw/zinc/91/57/77/538915777.db2.gz QCLVVUGHSYZTCK-PWSUYJOCSA-N 0 0 247.342 3.090 20 70 BGIDRN CC(C)N(Cc1csc(C2CC2)n1)C1CC1 ZINC000161493334 349465306 /nfs/dbraw/zinc/46/53/06/349465306.db2.gz NCRQARDGVGMLRL-UHFFFAOYSA-N 0 0 236.384 3.393 20 70 BGIDRN CC[C@@H](C)CSCc1nc(C2CC2)no1 ZINC000161497721 349466473 /nfs/dbraw/zinc/46/64/73/349466473.db2.gz OVYLKXGBNHTNGS-MRVPVSSYSA-N 0 0 226.345 3.226 20 70 BGIDRN CC[C@H](C)CSCc1nc(C2CC2)no1 ZINC000161497854 349466136 /nfs/dbraw/zinc/46/61/36/349466136.db2.gz OVYLKXGBNHTNGS-QMMMGPOBSA-N 0 0 226.345 3.226 20 70 BGIDRN CC[C@@H](C)C(=O)N1CCc2c1cccc2Cl ZINC000161501948 384498067 /nfs/dbraw/zinc/49/80/67/384498067.db2.gz MOYWCXVWQDZBHP-SECBINFHSA-N 0 0 237.730 3.275 20 70 BGIDRN CC[C@H](C)C(=O)N1CCc2c1cccc2Cl ZINC000161502071 171248953 /nfs/dbraw/zinc/24/89/53/171248953.db2.gz MOYWCXVWQDZBHP-VIFPVBQESA-N 0 0 237.730 3.275 20 70 BGIDRN CCO[C@@H](C)c1nccn1CC1CCCC1 ZINC000161508195 323536600 /nfs/dbraw/zinc/53/66/00/323536600.db2.gz OETLAEMLNWNRAD-NSHDSACASA-N 0 0 222.332 3.171 20 70 BGIDRN CCO[C@H](C)c1nccn1CC1CCCC1 ZINC000161508325 323536312 /nfs/dbraw/zinc/53/63/12/323536312.db2.gz OETLAEMLNWNRAD-LLVKDONJSA-N 0 0 222.332 3.171 20 70 BGIDRN Cc1cccc(C(=O)N2CCC[C@@H]2C(C)C)c1F ZINC000161508388 179008997 /nfs/dbraw/zinc/00/89/97/179008997.db2.gz LJOXECUPTARLQG-CYBMUJFWSA-N 0 0 249.329 3.395 20 70 BGIDRN Cc1cccc(C(=O)N2CCC[C@H]2C(C)C)c1F ZINC000161508506 179009242 /nfs/dbraw/zinc/00/92/42/179009242.db2.gz LJOXECUPTARLQG-ZDUSSCGKSA-N 0 0 249.329 3.395 20 70 BGIDRN Cc1cccc(C(=O)NC2(C)CCCC2)c1F ZINC000161510618 179014894 /nfs/dbraw/zinc/01/48/94/179014894.db2.gz VQBSUIYXDUBRRM-UHFFFAOYSA-N 0 0 235.302 3.197 20 70 BGIDRN CCCN(CCC)C(=O)/C=C\c1ccc(O)cc1 ZINC000216630672 356472795 /nfs/dbraw/zinc/47/27/95/356472795.db2.gz OFONTRLXXWZXMY-YFHOEESVSA-N 0 0 247.338 3.054 20 70 BGIDRN CCCN(CCC)C(=O)/C=C/c1ccc(O)cc1 ZINC000216630715 350008090 /nfs/dbraw/zinc/00/80/90/350008090.db2.gz OFONTRLXXWZXMY-JXMROGBWSA-N 0 0 247.338 3.054 20 70 BGIDRN CC(C)OCCN1c2ccccc2CC[C@@H]1C ZINC000216633514 490406245 /nfs/dbraw/zinc/40/62/45/490406245.db2.gz VICSDLYPSSOPHY-ZDUSSCGKSA-N 0 0 233.355 3.253 20 70 BGIDRN CC(C)OCCN1c2ccccc2CC[C@H]1C ZINC000216633559 490406113 /nfs/dbraw/zinc/40/61/13/490406113.db2.gz VICSDLYPSSOPHY-CYBMUJFWSA-N 0 0 233.355 3.253 20 70 BGIDRN CCc1nnc(SCCC(F)=C(F)F)o1 ZINC000216713676 592072285 /nfs/dbraw/zinc/07/22/85/592072285.db2.gz QODDMWJPGRHZAR-UHFFFAOYSA-N 0 0 238.234 3.192 20 70 BGIDRN CC[C@@H](C)CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000216783606 345744576 /nfs/dbraw/zinc/74/45/76/345744576.db2.gz KGGYFLBKLBADKL-UWJCENJNSA-N 0 0 249.398 3.365 20 70 BGIDRN Cc1ccc(C(=O)Oc2cccc(Cl)c2)n1C ZINC000216787690 592080667 /nfs/dbraw/zinc/08/06/67/592080667.db2.gz SQMGMIKKSPLDIQ-UHFFFAOYSA-N 0 0 249.697 3.206 20 70 BGIDRN Cc1ccc(C(=O)Oc2cc(C)ccc2C)n1C ZINC000216787973 592080811 /nfs/dbraw/zinc/08/08/11/592080811.db2.gz APJKRIVFGOBHFA-UHFFFAOYSA-N 0 0 243.306 3.170 20 70 BGIDRN Cc1ccc(C(=O)Oc2ccc(C)c(C)c2)n1C ZINC000216788042 592081177 /nfs/dbraw/zinc/08/11/77/592081177.db2.gz JXEGAWDJSMVWNN-UHFFFAOYSA-N 0 0 243.306 3.170 20 70 BGIDRN CCc1ccccc1OC(=O)c1ccc(C)n1C ZINC000216788099 592081095 /nfs/dbraw/zinc/08/10/95/592081095.db2.gz JQGRKCKAVWKJLX-UHFFFAOYSA-N 0 0 243.306 3.115 20 70 BGIDRN Cc1ccc(C(=O)Oc2cccc(C)c2C)n1C ZINC000216789231 592080721 /nfs/dbraw/zinc/08/07/21/592080721.db2.gz LLCMJFBLLGVAEK-UHFFFAOYSA-N 0 0 243.306 3.170 20 70 BGIDRN Cc1ccc(C(=O)Oc2ccc(C)cc2C)n1C ZINC000216789947 592080901 /nfs/dbraw/zinc/08/09/01/592080901.db2.gz OMXOCDZXSNROHF-UHFFFAOYSA-N 0 0 243.306 3.170 20 70 BGIDRN C/C=C(/C=C\C(=O)NC1CCCCC1)CC ZINC000216799416 582700461 /nfs/dbraw/zinc/70/04/61/582700461.db2.gz VYQCLQKBISDDBG-ILIPMWHGSA-N 0 0 221.344 3.348 20 70 BGIDRN C[C@H](c1ccc(F)cc1)N(C)C(=O)[C@H]1C[C@@H]1C ZINC000216839809 490411494 /nfs/dbraw/zinc/41/14/94/490411494.db2.gz WPBWLSKYMPKCLD-CWSCBRNRSA-N 0 0 235.302 3.001 20 70 BGIDRN c1ccc(-c2nnc(NCC3CC3)s2)cc1 ZINC000216848750 345744585 /nfs/dbraw/zinc/74/45/85/345744585.db2.gz AMJHRXKNXTUDEM-UHFFFAOYSA-N 0 0 231.324 3.027 20 70 BGIDRN CCc1ccsc1C(=O)O[C@@H](C)C1CC1 ZINC000216868162 592087177 /nfs/dbraw/zinc/08/71/77/592087177.db2.gz POSNQUVQSBOIJU-QMMMGPOBSA-N 0 0 224.325 3.266 20 70 BGIDRN CCc1ccsc1C(=O)O[C@H](C)C1CC1 ZINC000216868188 592087450 /nfs/dbraw/zinc/08/74/50/592087450.db2.gz POSNQUVQSBOIJU-MRVPVSSYSA-N 0 0 224.325 3.266 20 70 BGIDRN CCN(C(=O)CSC)c1ccc(C)cc1C ZINC000216888703 350021663 /nfs/dbraw/zinc/02/16/63/350021663.db2.gz YUVOHEOCYVARLG-UHFFFAOYSA-N 0 0 237.368 3.019 20 70 BGIDRN COCCCN(c1ccccc1C)C(C)C ZINC000216926653 174225632 /nfs/dbraw/zinc/22/56/32/174225632.db2.gz SVULNBNHYVIWIM-UHFFFAOYSA-N 0 0 221.344 3.246 20 70 BGIDRN CCN(CC)C(=O)c1ccc(C(F)F)cc1 ZINC000217073461 345744122 /nfs/dbraw/zinc/74/41/22/345744122.db2.gz RRGXJJGGLDVADC-UHFFFAOYSA-N 0 0 227.254 3.106 20 70 BGIDRN Cc1c2ccccc2oc1COC(=O)[C@@H]1C[C@@H]1C ZINC000217202816 592102165 /nfs/dbraw/zinc/10/21/65/592102165.db2.gz WOPRYEGGJPSEBD-JOYOIKCWSA-N 0 0 244.290 3.440 20 70 BGIDRN Cc1c2ccccc2oc1COC(=O)[C@H]1C[C@@H]1C ZINC000217202820 592102027 /nfs/dbraw/zinc/10/20/27/592102027.db2.gz WOPRYEGGJPSEBD-CABZTGNLSA-N 0 0 244.290 3.440 20 70 BGIDRN Cc1c2ccccc2oc1COC(=O)[C@@H]1C[C@H]1C ZINC000217202828 592102039 /nfs/dbraw/zinc/10/20/39/592102039.db2.gz WOPRYEGGJPSEBD-BXKDBHETSA-N 0 0 244.290 3.440 20 70 BGIDRN Cc1c2ccccc2oc1COC(=O)[C@H]1C[C@H]1C ZINC000217202834 592102071 /nfs/dbraw/zinc/10/20/71/592102071.db2.gz WOPRYEGGJPSEBD-SKDRFNHKSA-N 0 0 244.290 3.440 20 70 BGIDRN CC/C=C/COC(=O)C1(c2cccc(F)c2)CC1 ZINC000217217116 592102079 /nfs/dbraw/zinc/10/20/79/592102079.db2.gz QCOPULMKAWNZRA-ONEGZZNKSA-N 0 0 248.297 3.367 20 70 BGIDRN CC(C)CNC(=O)NC(C)(C)CC(C)(C)C ZINC000217269482 385880324 /nfs/dbraw/zinc/88/03/24/385880324.db2.gz AJXUSHUBLGBKSJ-UHFFFAOYSA-N 0 0 228.380 3.156 20 70 BGIDRN CCC(CC)NC(=O)NC1CCCCCC1 ZINC000217305001 398088223 /nfs/dbraw/zinc/08/82/23/398088223.db2.gz LPDKSIAOCGVIPV-UHFFFAOYSA-N 0 0 226.364 3.197 20 70 BGIDRN CCC(CC)NC(=O)Nc1cc(Cl)ccn1 ZINC000217305036 168381944 /nfs/dbraw/zinc/38/19/44/168381944.db2.gz WNYBJWRNJNYZKD-UHFFFAOYSA-N 0 0 241.722 3.045 20 70 BGIDRN CCCCCNC(=O)NCCC1CCCCC1 ZINC000217305133 398088584 /nfs/dbraw/zinc/08/85/84/398088584.db2.gz XMENCTXQKMPXKH-UHFFFAOYSA-N 0 0 240.391 3.446 20 70 BGIDRN CCCCCNC(=O)NCCc1ccc(C)cc1 ZINC000217307811 371934836 /nfs/dbraw/zinc/93/48/36/371934836.db2.gz OHJPFHYHXJDEOO-UHFFFAOYSA-N 0 0 248.370 3.027 20 70 BGIDRN CN(C(=O)Nc1cccc(F)c1)c1ccccc1 ZINC000217310638 357836746 /nfs/dbraw/zinc/83/67/46/357836746.db2.gz CPYYKULKYLSBSZ-UHFFFAOYSA-N 0 0 244.269 3.494 20 70 BGIDRN CCCCN(C)C(=O)Nc1cccc(F)c1 ZINC000217310653 134246638 /nfs/dbraw/zinc/24/66/38/134246638.db2.gz DEPWISZJPFNFCH-UHFFFAOYSA-N 0 0 224.279 3.090 20 70 BGIDRN Cc1cc(C)c(NC(=O)NC(C)C)c(Cl)c1 ZINC000217312822 410720056 /nfs/dbraw/zinc/72/00/56/410720056.db2.gz DMYZTPMQSOCKDM-UHFFFAOYSA-N 0 0 240.734 3.487 20 70 BGIDRN CC(C)CNC(=O)Nc1c(F)cccc1Cl ZINC000217313057 134246691 /nfs/dbraw/zinc/24/66/91/134246691.db2.gz RETREWCMURWRNJ-UHFFFAOYSA-N 0 0 244.697 3.257 20 70 BGIDRN CC[C@@H](C)NC(=O)Nc1c(F)cccc1Cl ZINC000217313060 134246570 /nfs/dbraw/zinc/24/65/70/134246570.db2.gz QKXLOSVGEPSVTQ-SSDOTTSWSA-N 0 0 244.697 3.399 20 70 BGIDRN CC[C@H](C)NC(=O)Nc1c(F)cccc1Cl ZINC000217313061 134246573 /nfs/dbraw/zinc/24/65/73/134246573.db2.gz QKXLOSVGEPSVTQ-ZETCQYMHSA-N 0 0 244.697 3.399 20 70 BGIDRN CCCCCNC(=O)NCCc1ccccc1C ZINC000217315661 411372921 /nfs/dbraw/zinc/37/29/21/411372921.db2.gz AVMIRRZCQOHSQV-UHFFFAOYSA-N 0 0 248.370 3.027 20 70 BGIDRN CC(C)(NC(=O)[C@H]1CC1(C)C)c1ccccc1 ZINC000217375740 357259624 /nfs/dbraw/zinc/25/96/24/357259624.db2.gz PSGIKKDJIWDAFP-GFCCVEGCSA-N 0 0 231.339 3.084 20 70 BGIDRN CC(C)(NC(=O)[C@@H]1CC1(C)C)c1ccccc1 ZINC000217375811 345744236 /nfs/dbraw/zinc/74/42/36/345744236.db2.gz PSGIKKDJIWDAFP-LBPRGKRZSA-N 0 0 231.339 3.084 20 70 BGIDRN CC[C@@H](CSC)Nc1nc(Cl)cs1 ZINC000217380356 582840265 /nfs/dbraw/zinc/84/02/65/582840265.db2.gz FJTFEVAJUIMUHL-LURJTMIESA-N 0 0 236.793 3.350 20 70 BGIDRN CC[C@H](CSC)Nc1nc(Cl)cs1 ZINC000217380443 592106634 /nfs/dbraw/zinc/10/66/34/592106634.db2.gz FJTFEVAJUIMUHL-ZCFIWIBFSA-N 0 0 236.793 3.350 20 70 BGIDRN CCCc1nsc(N[C@@H](CC)CSC)n1 ZINC000217384186 344934946 /nfs/dbraw/zinc/93/49/46/344934946.db2.gz QKDVBIWNCOYWFY-QMMMGPOBSA-N 0 0 245.417 3.044 20 70 BGIDRN CCCc1nsc(N[C@H](CC)CSC)n1 ZINC000217384257 136748360 /nfs/dbraw/zinc/74/83/60/136748360.db2.gz QKDVBIWNCOYWFY-MRVPVSSYSA-N 0 0 245.417 3.044 20 70 BGIDRN CCCCCCC(=O)OCC(F)(F)C(F)F ZINC000217390740 589472544 /nfs/dbraw/zinc/47/25/44/589472544.db2.gz BZFTYHYQKZTKGG-UHFFFAOYSA-N 0 0 244.228 3.400 20 70 BGIDRN CC(C)=CCOC(=O)C(C)(C)c1ccccc1 ZINC000217394658 592106480 /nfs/dbraw/zinc/10/64/80/592106480.db2.gz FHALPPWLLAPKLT-UHFFFAOYSA-N 0 0 232.323 3.474 20 70 BGIDRN C/C=C/COC(=O)CCc1ccccc1Cl ZINC000217398864 592106785 /nfs/dbraw/zinc/10/67/85/592106785.db2.gz TUWJMSZERRIIRA-NSCUHMNNSA-N 0 0 238.714 3.392 20 70 BGIDRN CC[C@@H](C)c1ccc(OCc2nnc(C)o2)cc1 ZINC000217401628 357260373 /nfs/dbraw/zinc/26/03/73/357260373.db2.gz PQEKYOVBPPPTHT-SNVBAGLBSA-N 0 0 246.310 3.471 20 70 BGIDRN CC[C@H](C)c1ccc(OCc2nnc(C)o2)cc1 ZINC000217401703 357260368 /nfs/dbraw/zinc/26/03/68/357260368.db2.gz PQEKYOVBPPPTHT-JTQLQIEISA-N 0 0 246.310 3.471 20 70 BGIDRN CC(C)=CCOC(=O)CCc1ccc(F)cc1 ZINC000217402486 592107678 /nfs/dbraw/zinc/10/76/78/592107678.db2.gz FDRNUNUABVXNTN-UHFFFAOYSA-N 0 0 236.286 3.268 20 70 BGIDRN Cc1ccc(F)c(C(=O)Nc2ccccc2O)c1 ZINC000217402694 357260174 /nfs/dbraw/zinc/26/01/74/357260174.db2.gz WRONLZDOJCASIG-UHFFFAOYSA-N 0 0 245.253 3.092 20 70 BGIDRN CC(C)=CCOC(=O)c1ccc(F)c(F)c1 ZINC000217402723 592107769 /nfs/dbraw/zinc/10/77/69/592107769.db2.gz NBHJRHBOOGCCMV-UHFFFAOYSA-N 0 0 226.222 3.088 20 70 BGIDRN CC(C)=CCOC(=O)c1ccc(C)c(F)c1 ZINC000217404439 592107608 /nfs/dbraw/zinc/10/76/08/592107608.db2.gz OXZQZNAHYSAVTF-UHFFFAOYSA-N 0 0 222.259 3.257 20 70 BGIDRN CCCCCNC(=O)NCCc1cccc(C)c1 ZINC000217404909 384705710 /nfs/dbraw/zinc/70/57/10/384705710.db2.gz HFKZJRGOPAFMBY-UHFFFAOYSA-N 0 0 248.370 3.027 20 70 BGIDRN CC(C)=CCOC(=O)CCc1cccc(C)c1 ZINC000217406023 592107504 /nfs/dbraw/zinc/10/75/04/592107504.db2.gz FDCFSJHBFIAWTI-UHFFFAOYSA-N 0 0 232.323 3.437 20 70 BGIDRN COc1cc(C(=O)OCC=C(C)C)ccc1C ZINC000217406161 592107619 /nfs/dbraw/zinc/10/76/19/592107619.db2.gz TUJSVGIAEPCUSR-UHFFFAOYSA-N 0 0 234.295 3.127 20 70 BGIDRN CC(C)=CCOC(=O)c1cc(F)ccc1C ZINC000217407973 592107618 /nfs/dbraw/zinc/10/76/18/592107618.db2.gz CKLZOGUNBRQDEB-UHFFFAOYSA-N 0 0 222.259 3.257 20 70 BGIDRN CCCNC(=S)Nc1cc(F)cc(Cl)c1 ZINC000217467382 583178783 /nfs/dbraw/zinc/17/87/83/583178783.db2.gz QUWMMOOATZBEKK-UHFFFAOYSA-N 0 0 246.738 3.176 20 70 BGIDRN CC(C)CCOC(=O)c1cc2c(s1)CCC2 ZINC000217475570 592110039 /nfs/dbraw/zinc/11/00/39/592110039.db2.gz TYNJAYGTCMOLBR-UHFFFAOYSA-N 0 0 238.352 3.440 20 70 BGIDRN O=C(Cc1cccs1)OCC1CCCCC1 ZINC000217508495 592118060 /nfs/dbraw/zinc/11/80/60/592118060.db2.gz YNMSXSMAXSTWFZ-UHFFFAOYSA-N 0 0 238.352 3.414 20 70 BGIDRN c1nc2ccc(NCC3CC3)cc2s1 ZINC000217525811 183539570 /nfs/dbraw/zinc/53/95/70/183539570.db2.gz SNRGGGUQHSPLPZ-UHFFFAOYSA-N 0 0 204.298 3.118 20 70 BGIDRN C[C@H]1CCCC[C@@H]1NC(=O)NCC1CCCC1 ZINC000217570218 385425088 /nfs/dbraw/zinc/42/50/88/385425088.db2.gz APZHLOAWTKXACQ-AAEUAGOBSA-N 0 0 238.375 3.055 20 70 BGIDRN C[C@@H]1CCCC[C@H]1NC(=O)NCC1CCCC1 ZINC000217570311 385425749 /nfs/dbraw/zinc/42/57/49/385425749.db2.gz APZHLOAWTKXACQ-DGCLKSJQSA-N 0 0 238.375 3.055 20 70 BGIDRN C[C@H]1CCCC[C@H]1NC(=O)NCC1CCCC1 ZINC000217570399 385425489 /nfs/dbraw/zinc/42/54/89/385425489.db2.gz APZHLOAWTKXACQ-WCQYABFASA-N 0 0 238.375 3.055 20 70 BGIDRN CCCCCNC(=O)NCC1CCCCC1 ZINC000217594882 388571205 /nfs/dbraw/zinc/57/12/05/388571205.db2.gz ZOWBKORNTQMQOW-UHFFFAOYSA-N 0 0 226.364 3.056 20 70 BGIDRN CC(C)c1ccc(CN(C)C(=O)C(F)F)cc1 ZINC000217597115 385886759 /nfs/dbraw/zinc/88/67/59/385886759.db2.gz JBLBVTQAISAMKQ-UHFFFAOYSA-N 0 0 241.281 3.034 20 70 BGIDRN Cc1cccc(NC(=O)NCC2CCCCC2)n1 ZINC000217597480 134248229 /nfs/dbraw/zinc/24/82/29/134248229.db2.gz SYIYNEYVZUVXEO-UHFFFAOYSA-N 0 0 247.342 3.092 20 70 BGIDRN CCCN(CCC)C(=O)NCC1CCCCC1 ZINC000217599804 259414681 /nfs/dbraw/zinc/41/46/81/259414681.db2.gz GBHPQNPFWUVLBQ-UHFFFAOYSA-N 0 0 240.391 3.398 20 70 BGIDRN CC(C)(C)c1ccc(NC(=O)C(F)F)cc1 ZINC000217604636 188355640 /nfs/dbraw/zinc/35/56/40/188355640.db2.gz ZIAFZHRAWISGTC-UHFFFAOYSA-N 0 0 227.254 3.188 20 70 BGIDRN Cc1cccnc1NC(=O)NCC1CCCCC1 ZINC000217605523 179390556 /nfs/dbraw/zinc/39/05/56/179390556.db2.gz BTVARZLCRGQKGZ-UHFFFAOYSA-N 0 0 247.342 3.092 20 70 BGIDRN Cc1ccnc(NC(=O)NCC2CCCCC2)c1 ZINC000217606057 134249264 /nfs/dbraw/zinc/24/92/64/134249264.db2.gz JPODAAZLTREYMU-UHFFFAOYSA-N 0 0 247.342 3.092 20 70 BGIDRN Cc1ccc(NC(=O)NCC2CCCCC2)cn1 ZINC000217610708 490474996 /nfs/dbraw/zinc/47/49/96/490474996.db2.gz OPTDTCJRHJAIMK-UHFFFAOYSA-N 0 0 247.342 3.092 20 70 BGIDRN Cc1ccc(NC(=O)NCC2CCCCC2)nc1 ZINC000217610804 134249199 /nfs/dbraw/zinc/24/91/99/134249199.db2.gz QRJWHRDKLXVPBV-UHFFFAOYSA-N 0 0 247.342 3.092 20 70 BGIDRN CC(C)c1ccc(NC(=O)C(F)F)cc1 ZINC000217618654 388571294 /nfs/dbraw/zinc/57/12/94/388571294.db2.gz CNFIPIDWBSFIQO-UHFFFAOYSA-N 0 0 213.227 3.014 20 70 BGIDRN Cc1ccc(C(=O)Oc2ccc(F)cc2)c(F)c1 ZINC000217633551 592143938 /nfs/dbraw/zinc/14/39/38/592143938.db2.gz LSZXSZAKBCJRCJ-UHFFFAOYSA-N 0 0 248.228 3.492 20 70 BGIDRN O=C(Nc1ccc(C2CC2)cc1)c1ccccn1 ZINC000217638588 490476555 /nfs/dbraw/zinc/47/65/55/490476555.db2.gz NPQNOMHDTBNWNT-UHFFFAOYSA-N 0 0 238.290 3.211 20 70 BGIDRN CC(C)c1cccc(NC(=O)C(F)F)c1 ZINC000217640022 167631522 /nfs/dbraw/zinc/63/15/22/167631522.db2.gz MPZPEIUCNGPFDW-UHFFFAOYSA-N 0 0 213.227 3.014 20 70 BGIDRN CON(C)Cc1ccc(-c2ccccc2)cc1 ZINC000217698853 583172489 /nfs/dbraw/zinc/17/24/89/583172489.db2.gz APWQRPXMELAQKE-UHFFFAOYSA-N 0 0 227.307 3.347 20 70 BGIDRN C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1 ZINC000217739175 388572269 /nfs/dbraw/zinc/57/22/69/388572269.db2.gz YPDWQWQBDAGNIT-YPMHNXCESA-N 0 0 217.312 3.451 20 70 BGIDRN C[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1 ZINC000217739265 387279799 /nfs/dbraw/zinc/27/97/99/387279799.db2.gz YPDWQWQBDAGNIT-AAEUAGOBSA-N 0 0 217.312 3.451 20 70 BGIDRN C[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1 ZINC000217739346 388572538 /nfs/dbraw/zinc/57/25/38/388572538.db2.gz YPDWQWQBDAGNIT-DGCLKSJQSA-N 0 0 217.312 3.451 20 70 BGIDRN C[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1 ZINC000217739421 387281812 /nfs/dbraw/zinc/28/18/12/387281812.db2.gz YPDWQWQBDAGNIT-WCQYABFASA-N 0 0 217.312 3.451 20 70 BGIDRN CCOC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000217753556 345744537 /nfs/dbraw/zinc/74/45/37/345744537.db2.gz FKPBSGFVYRCYDV-CHWSQXEVSA-N 0 0 218.296 3.133 20 70 BGIDRN CCN(Cc1ccc(Cl)cc1)C(=O)C(C)C ZINC000217775620 350072433 /nfs/dbraw/zinc/07/24/33/350072433.db2.gz BIBLMUCJVAIGSH-UHFFFAOYSA-N 0 0 239.746 3.345 20 70 BGIDRN CC(C)CCS[C@@H](C)C(=O)OC(C)(C)C ZINC000217792330 388572414 /nfs/dbraw/zinc/57/24/14/388572414.db2.gz DKEYIGYKCYQGSQ-JTQLQIEISA-N 0 0 232.389 3.496 20 70 BGIDRN CC(C)CCS[C@H](C)C(=O)OC(C)(C)C ZINC000217792406 388572056 /nfs/dbraw/zinc/57/20/56/388572056.db2.gz DKEYIGYKCYQGSQ-SNVBAGLBSA-N 0 0 232.389 3.496 20 70 BGIDRN CC(C)C1(CNc2ncnc3c2CCCC3)CC1 ZINC000217813226 490486047 /nfs/dbraw/zinc/48/60/47/490486047.db2.gz NHUIREPDYFFEKE-UHFFFAOYSA-N 0 0 245.370 3.204 20 70 BGIDRN Cc1nnc(NC2CCC(C(C)C)CC2)s1 ZINC000217816898 134250471 /nfs/dbraw/zinc/25/04/71/134250471.db2.gz DTVNLMPNUJYKPC-UHFFFAOYSA-N 0 0 239.388 3.473 20 70 BGIDRN CCCCNC(=O)[C@H](CCCC)C(C)C ZINC000217852612 344208877 /nfs/dbraw/zinc/20/88/77/344208877.db2.gz BLPDSQRNHRSHSO-GFCCVEGCSA-N 0 0 213.365 3.365 20 70 BGIDRN FCCNCc1c(Cl)cccc1Cl ZINC000217889813 487595431 /nfs/dbraw/zinc/59/54/31/487595431.db2.gz NWYNWXXAHAWWQT-UHFFFAOYSA-N 0 0 222.090 3.053 20 70 BGIDRN CC[C@@H](C)OC(=O)CCc1ccc(C)cc1 ZINC000217907670 592150784 /nfs/dbraw/zinc/15/07/84/592150784.db2.gz SYWDPEHZBQUKMD-GFCCVEGCSA-N 0 0 220.312 3.269 20 70 BGIDRN CC[C@H](C)OC(=O)CCc1ccc(C)cc1 ZINC000217907734 592150043 /nfs/dbraw/zinc/15/00/43/592150043.db2.gz SYWDPEHZBQUKMD-LBPRGKRZSA-N 0 0 220.312 3.269 20 70 BGIDRN CC[C@@H](C)OC(=O)c1ccc(Cl)nc1Cl ZINC000217922073 592149884 /nfs/dbraw/zinc/14/98/84/592149884.db2.gz YRFFWJPQDOJPKY-ZCFIWIBFSA-N 0 0 248.109 3.344 20 70 BGIDRN CC[C@H](C)OC(=O)c1ccc(Cl)nc1Cl ZINC000217922159 592150049 /nfs/dbraw/zinc/15/00/49/592150049.db2.gz YRFFWJPQDOJPKY-LURJTMIESA-N 0 0 248.109 3.344 20 70 BGIDRN C[C@@H]1CCC[C@@H](CNc2cncc(Cl)n2)C1 ZINC000217928091 134251249 /nfs/dbraw/zinc/25/12/49/134251249.db2.gz ZETQGFSOVGHEIO-NXEZZACHSA-N 0 0 239.750 3.368 20 70 BGIDRN C[C@H]1CCC[C@@H](CNc2cncc(Cl)n2)C1 ZINC000217928160 134251144 /nfs/dbraw/zinc/25/11/44/134251144.db2.gz ZETQGFSOVGHEIO-VHSXEESVSA-N 0 0 239.750 3.368 20 70 BGIDRN C[C@@H]1CCC[C@H](CNc2cncc(Cl)n2)C1 ZINC000217928243 134250895 /nfs/dbraw/zinc/25/08/95/134250895.db2.gz ZETQGFSOVGHEIO-ZJUUUORDSA-N 0 0 239.750 3.368 20 70 BGIDRN C[C@H]1CCC[C@H](CNc2cncc(Cl)n2)C1 ZINC000217928334 134251202 /nfs/dbraw/zinc/25/12/02/134251202.db2.gz ZETQGFSOVGHEIO-UWVGGRQHSA-N 0 0 239.750 3.368 20 70 BGIDRN Cc1cc(C)nc(NC[C@@H]2CCC[C@@H](C)C2)n1 ZINC000217929836 388574541 /nfs/dbraw/zinc/57/45/41/388574541.db2.gz RPVXRTMCDDXDHR-ZWNOBZJWSA-N 0 0 233.359 3.332 20 70 BGIDRN Cc1cc(C)nc(NC[C@H]2CCC[C@@H](C)C2)n1 ZINC000217929926 388575204 /nfs/dbraw/zinc/57/52/04/388575204.db2.gz RPVXRTMCDDXDHR-MFKMUULPSA-N 0 0 233.359 3.332 20 70 BGIDRN Cc1cc(C)nc(NC[C@@H]2CCC[C@H](C)C2)n1 ZINC000217929997 387512461 /nfs/dbraw/zinc/51/24/61/387512461.db2.gz RPVXRTMCDDXDHR-GXFFZTMASA-N 0 0 233.359 3.332 20 70 BGIDRN Cc1cc(C)nc(NC[C@H]2CCC[C@H](C)C2)n1 ZINC000217930078 388574445 /nfs/dbraw/zinc/57/44/45/388574445.db2.gz RPVXRTMCDDXDHR-GWCFXTLKSA-N 0 0 233.359 3.332 20 70 BGIDRN C[C@@H](CCO)SC/C=C\c1ccccc1 ZINC000217942118 372031598 /nfs/dbraw/zinc/03/15/98/372031598.db2.gz LSCFFIXTMZUSNK-JECSTDCCSA-N 0 0 222.353 3.204 20 70 BGIDRN C[C@H](CCO)SC/C=C\c1ccccc1 ZINC000217942208 372032566 /nfs/dbraw/zinc/03/25/66/372032566.db2.gz LSCFFIXTMZUSNK-VVEJJEBESA-N 0 0 222.353 3.204 20 70 BGIDRN CCc1ncnc(NCC2CCCCC2)c1F ZINC000217952810 134250888 /nfs/dbraw/zinc/25/08/88/134250888.db2.gz PZCFSQAZVSXJGT-UHFFFAOYSA-N 0 0 237.322 3.170 20 70 BGIDRN CCCCCCNc1ncnc(CC)c1F ZINC000217952919 534996573 /nfs/dbraw/zinc/99/65/73/534996573.db2.gz YIAABHDFCSKMPU-UHFFFAOYSA-N 0 0 225.311 3.170 20 70 BGIDRN CCc1ncnc(NCCC2=CCCCC2)c1F ZINC000217954566 134251032 /nfs/dbraw/zinc/25/10/32/134251032.db2.gz MUPOFGSLDFBWSI-UHFFFAOYSA-N 0 0 249.333 3.481 20 70 BGIDRN CCc1ncnc(N[C@@H]2CCCC[C@@H]2C)c1F ZINC000217955025 134250960 /nfs/dbraw/zinc/25/09/60/134250960.db2.gz NYTIVUMWJAZRAN-GXSJLCMTSA-N 0 0 237.322 3.169 20 70 BGIDRN CCc1ncnc(N[C@H]2CCCC[C@@H]2C)c1F ZINC000217955111 134251068 /nfs/dbraw/zinc/25/10/68/134251068.db2.gz NYTIVUMWJAZRAN-ONGXEEELSA-N 0 0 237.322 3.169 20 70 BGIDRN CCc1ncnc(N[C@@H]2CCCC[C@H]2C)c1F ZINC000217955184 134250898 /nfs/dbraw/zinc/25/08/98/134250898.db2.gz NYTIVUMWJAZRAN-MWLCHTKSSA-N 0 0 237.322 3.169 20 70 BGIDRN CCc1ncnc(N[C@H]2CCCC[C@H]2C)c1F ZINC000217955254 134251221 /nfs/dbraw/zinc/25/12/21/134251221.db2.gz NYTIVUMWJAZRAN-KOLCDFICSA-N 0 0 237.322 3.169 20 70 BGIDRN CCc1ncnc(NCc2cccc(C)c2)c1F ZINC000217965964 134250916 /nfs/dbraw/zinc/25/09/16/134250916.db2.gz RPAMWFINYWKSQU-UHFFFAOYSA-N 0 0 245.301 3.099 20 70 BGIDRN CCc1ncnc(NCCC2CCCC2)c1F ZINC000217966164 134251195 /nfs/dbraw/zinc/25/11/95/134251195.db2.gz RKNWLFCDHBYWAR-UHFFFAOYSA-N 0 0 237.322 3.170 20 70 BGIDRN CCc1ncnc(NCCCC(C)C)c1F ZINC000217967327 134251149 /nfs/dbraw/zinc/25/11/49/134251149.db2.gz GBTCBGXSAIYAJO-UHFFFAOYSA-N 0 0 225.311 3.026 20 70 BGIDRN CCc1ncnc(N[C@@H]2CCC[C@@H](C)C2)c1F ZINC000217968431 134250838 /nfs/dbraw/zinc/25/08/38/134250838.db2.gz RUGQTMVLDJPLSH-NXEZZACHSA-N 0 0 237.322 3.169 20 70 BGIDRN CCc1ncnc(N[C@H]2CCC[C@@H](C)C2)c1F ZINC000217968501 134251099 /nfs/dbraw/zinc/25/10/99/134251099.db2.gz RUGQTMVLDJPLSH-ZJUUUORDSA-N 0 0 237.322 3.169 20 70 BGIDRN CCc1ncnc(N[C@@H]2CCC[C@H](C)C2)c1F ZINC000217968589 134251088 /nfs/dbraw/zinc/25/10/88/134251088.db2.gz RUGQTMVLDJPLSH-VHSXEESVSA-N 0 0 237.322 3.169 20 70 BGIDRN CCc1ncnc(N[C@H]2CCC[C@H](C)C2)c1F ZINC000217968673 134250889 /nfs/dbraw/zinc/25/08/89/134250889.db2.gz RUGQTMVLDJPLSH-UWVGGRQHSA-N 0 0 237.322 3.169 20 70 BGIDRN CCc1ncnc(NCCC(C)(C)C)c1F ZINC000217970586 134251214 /nfs/dbraw/zinc/25/12/14/134251214.db2.gz AVSSHOWZKQYGES-UHFFFAOYSA-N 0 0 225.311 3.026 20 70 BGIDRN Nc1ccc(S[C@@H]2CCCOC2)c(Cl)c1 ZINC000217983669 490493042 /nfs/dbraw/zinc/49/30/42/490493042.db2.gz HEVSBHMXISIVRF-SECBINFHSA-N 0 0 243.759 3.193 20 70 BGIDRN Nc1ccc(S[C@H]2CCCOC2)c(Cl)c1 ZINC000217983733 490493104 /nfs/dbraw/zinc/49/31/04/490493104.db2.gz HEVSBHMXISIVRF-VIFPVBQESA-N 0 0 243.759 3.193 20 70 BGIDRN CCc1ncnc(N[C@@H](C)[C@@H](C)CC)c1F ZINC000217988401 134250827 /nfs/dbraw/zinc/25/08/27/134250827.db2.gz UYSSFLLHUPNYNB-IUCAKERBSA-N 0 0 225.311 3.025 20 70 BGIDRN CCc1ncnc(N[C@H](C)[C@@H](C)CC)c1F ZINC000217988489 134250884 /nfs/dbraw/zinc/25/08/84/134250884.db2.gz UYSSFLLHUPNYNB-DTWKUNHWSA-N 0 0 225.311 3.025 20 70 BGIDRN CCc1ncnc(N[C@@H](C)[C@H](C)CC)c1F ZINC000217988567 134250923 /nfs/dbraw/zinc/25/09/23/134250923.db2.gz UYSSFLLHUPNYNB-BDAKNGLRSA-N 0 0 225.311 3.025 20 70 BGIDRN CCc1ncnc(N[C@H](C)[C@H](C)CC)c1F ZINC000217988651 134250820 /nfs/dbraw/zinc/25/08/20/134250820.db2.gz UYSSFLLHUPNYNB-RKDXNWHRSA-N 0 0 225.311 3.025 20 70 BGIDRN CCC[C@@H](CC)Nc1ncnc(CC)c1F ZINC000217994181 134250940 /nfs/dbraw/zinc/25/09/40/134250940.db2.gz QOWKUMDEEKQBBD-SECBINFHSA-N 0 0 225.311 3.169 20 70 BGIDRN CCC[C@H](CC)Nc1ncnc(CC)c1F ZINC000217994267 134251158 /nfs/dbraw/zinc/25/11/58/134251158.db2.gz QOWKUMDEEKQBBD-VIFPVBQESA-N 0 0 225.311 3.169 20 70 BGIDRN CCN(C)c1cccc(OC(F)(F)F)c1 ZINC000218001313 345744318 /nfs/dbraw/zinc/74/43/18/345744318.db2.gz SMAIQEQNRMLBFT-UHFFFAOYSA-N 0 0 219.206 3.041 20 70 BGIDRN CC[C@H](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C)C1 ZINC000218002954 323150475 /nfs/dbraw/zinc/15/04/75/323150475.db2.gz XPECEGXXRUWBDB-YNEHKIRRSA-N 0 0 240.391 3.253 20 70 BGIDRN CC[C@H](C)C[C@H](C)NC(=O)N1CCC[C@@H](C)C1 ZINC000218003110 388575594 /nfs/dbraw/zinc/57/55/94/388575594.db2.gz XPECEGXXRUWBDB-XQQFMLRXSA-N 0 0 240.391 3.253 20 70 BGIDRN C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000218006760 388575980 /nfs/dbraw/zinc/57/59/80/388575980.db2.gz OWVRNTVJFYDWTO-VXGBXAGGSA-N 0 0 249.329 3.382 20 70 BGIDRN C[C@H]1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000218006829 388576097 /nfs/dbraw/zinc/57/60/97/388576097.db2.gz OWVRNTVJFYDWTO-NWDGAFQWSA-N 0 0 249.329 3.382 20 70 BGIDRN C[C@@H]1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000218006904 323150533 /nfs/dbraw/zinc/15/05/33/323150533.db2.gz OWVRNTVJFYDWTO-NEPJUHHUSA-N 0 0 249.329 3.382 20 70 BGIDRN C[C@H]1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000218006987 388576135 /nfs/dbraw/zinc/57/61/35/388576135.db2.gz OWVRNTVJFYDWTO-RYUDHWBXSA-N 0 0 249.329 3.382 20 70 BGIDRN CCc1ncnc(NCC(CC)CC)c1F ZINC000218007443 134251414 /nfs/dbraw/zinc/25/14/14/134251414.db2.gz QAPJJYUHDWCFGJ-UHFFFAOYSA-N 0 0 225.311 3.026 20 70 BGIDRN C[C@@H](CO)CSC/C=C\c1ccccc1 ZINC000218008536 134251318 /nfs/dbraw/zinc/25/13/18/134251318.db2.gz BFTIWPZINBWBQG-JECSTDCCSA-N 0 0 222.353 3.061 20 70 BGIDRN C[C@H](CO)CSC/C=C\c1ccccc1 ZINC000218008623 134251399 /nfs/dbraw/zinc/25/13/99/134251399.db2.gz BFTIWPZINBWBQG-VVEJJEBESA-N 0 0 222.353 3.061 20 70 BGIDRN CCc1ncnc(NCC2(C)CCCC2)c1F ZINC000218011558 134251332 /nfs/dbraw/zinc/25/13/32/134251332.db2.gz IVLMMYZUWXNCOE-UHFFFAOYSA-N 0 0 237.322 3.170 20 70 BGIDRN CC(C)(C)OC(=O)NCCSC(C)(C)C ZINC000218015692 388576208 /nfs/dbraw/zinc/57/62/08/388576208.db2.gz YXUWNPAVCDGVEO-UHFFFAOYSA-N 0 0 233.377 3.043 20 70 BGIDRN CC[C@@H]1C[C@H]1Nc1cc(Cl)nc(C2CC2)n1 ZINC000218019555 535922223 /nfs/dbraw/zinc/92/22/23/535922223.db2.gz SWUGWNIZHHWDSM-VXNVDRBHSA-N 0 0 237.734 3.218 20 70 BGIDRN CCc1ncnc(NCC(C2CC2)C2CC2)c1F ZINC000218047361 324056618 /nfs/dbraw/zinc/05/66/18/324056618.db2.gz ZHZHNMSUQFCXLA-UHFFFAOYSA-N 0 0 249.333 3.026 20 70 BGIDRN C[C@@H]1CCC[C@@H](CNC(=O)NC2CCCC2)C1 ZINC000218048599 134251364 /nfs/dbraw/zinc/25/13/64/134251364.db2.gz RXYZKRGKZIYJNB-VXGBXAGGSA-N 0 0 238.375 3.055 20 70 BGIDRN C[C@H]1CCC[C@@H](CNC(=O)NC2CCCC2)C1 ZINC000218048676 134251632 /nfs/dbraw/zinc/25/16/32/134251632.db2.gz RXYZKRGKZIYJNB-NWDGAFQWSA-N 0 0 238.375 3.055 20 70 BGIDRN C[C@@H]1CCC[C@H](CNC(=O)NC2CCCC2)C1 ZINC000218048756 134251275 /nfs/dbraw/zinc/25/12/75/134251275.db2.gz RXYZKRGKZIYJNB-NEPJUHHUSA-N 0 0 238.375 3.055 20 70 BGIDRN C[C@H]1CCC[C@H](CNC(=O)NC2CCCC2)C1 ZINC000218048843 134251445 /nfs/dbraw/zinc/25/14/45/134251445.db2.gz RXYZKRGKZIYJNB-RYUDHWBXSA-N 0 0 238.375 3.055 20 70 BGIDRN CC1(CNc2cc(Cl)nc(C3CC3)n2)CC1 ZINC000218055637 592151789 /nfs/dbraw/zinc/15/17/89/592151789.db2.gz ZMTJHJDNIIPFDI-UHFFFAOYSA-N 0 0 237.734 3.219 20 70 BGIDRN CCC1(CNc2ccc(C(F)(F)F)nn2)CC1 ZINC000218059614 168483809 /nfs/dbraw/zinc/48/38/09/168483809.db2.gz RKJNYXKURHTDSI-UHFFFAOYSA-N 0 0 245.248 3.098 20 70 BGIDRN CCc1ncnc(N[C@@H]2CCCC2(C)C)c1F ZINC000218059809 134251380 /nfs/dbraw/zinc/25/13/80/134251380.db2.gz DMXRFHUQQGBBIB-SNVBAGLBSA-N 0 0 237.322 3.169 20 70 BGIDRN CCc1ncnc(N[C@H]2CCCC2(C)C)c1F ZINC000218059891 134251273 /nfs/dbraw/zinc/25/12/73/134251273.db2.gz DMXRFHUQQGBBIB-JTQLQIEISA-N 0 0 237.322 3.169 20 70 BGIDRN CC1(CNc2ccc(C(F)(F)F)nn2)CCC1 ZINC000218060208 168048899 /nfs/dbraw/zinc/04/88/99/168048899.db2.gz YSVOKSYBVMBBEX-UHFFFAOYSA-N 0 0 245.248 3.098 20 70 BGIDRN CCc1ncnc(NCC2(CC)CCC2)c1F ZINC000218061126 134251461 /nfs/dbraw/zinc/25/14/61/134251461.db2.gz QMLMGSNJBPPCCZ-UHFFFAOYSA-N 0 0 237.322 3.170 20 70 BGIDRN CCc1ncnc(NCC2(C(C)C)CC2)c1F ZINC000218062811 134251541 /nfs/dbraw/zinc/25/15/41/134251541.db2.gz GOTLJBYTWCXGLD-UHFFFAOYSA-N 0 0 237.322 3.026 20 70 BGIDRN CCc1ncnc(N[C@H](C)C(C)(C)C)c1F ZINC000218064358 134251447 /nfs/dbraw/zinc/25/14/47/134251447.db2.gz PNAJFZYHEOQFIJ-MRVPVSSYSA-N 0 0 225.311 3.025 20 70 BGIDRN CCCC1(CNc2ncnc(CC)c2F)CC1 ZINC000218068734 134251467 /nfs/dbraw/zinc/25/14/67/134251467.db2.gz VQZCJVFZDTYXTM-UHFFFAOYSA-N 0 0 237.322 3.170 20 70 BGIDRN Clc1cc(NC2CC=CC2)nc(C2CC2)n1 ZINC000218068843 134251536 /nfs/dbraw/zinc/25/15/36/134251536.db2.gz GMFJTDHHJXCQFO-UHFFFAOYSA-N 0 0 235.718 3.138 20 70 BGIDRN CCc1ncnc(N[C@@H](C)CC(C)C)c1F ZINC000218077216 134251774 /nfs/dbraw/zinc/25/17/74/134251774.db2.gz NQAUQIVMFPJEPO-VIFPVBQESA-N 0 0 225.311 3.025 20 70 BGIDRN CCc1ncnc(N[C@H](C)CC(C)C)c1F ZINC000218077298 134251669 /nfs/dbraw/zinc/25/16/69/134251669.db2.gz NQAUQIVMFPJEPO-SECBINFHSA-N 0 0 225.311 3.025 20 70 BGIDRN CCc1ncnc(NCCC2=CCCC2)c1F ZINC000218079829 134251714 /nfs/dbraw/zinc/25/17/14/134251714.db2.gz XSYCMPAFYONGQI-UHFFFAOYSA-N 0 0 235.306 3.090 20 70 BGIDRN CCCC[C@@H](CC)CNC(=O)c1cccc(O)c1 ZINC000218083967 256844658 /nfs/dbraw/zinc/84/46/58/256844658.db2.gz ILKNNNGFDBIKCD-GFCCVEGCSA-N 0 0 249.354 3.338 20 70 BGIDRN CCCC[C@H](CC)CNC(=O)c1cccc(O)c1 ZINC000218084055 388575422 /nfs/dbraw/zinc/57/54/22/388575422.db2.gz ILKNNNGFDBIKCD-LBPRGKRZSA-N 0 0 249.354 3.338 20 70 BGIDRN Cc1cccc(COC(=O)c2cnccc2C)c1 ZINC000218088223 592151365 /nfs/dbraw/zinc/15/13/65/592151365.db2.gz QDPJXTBYCQSJAQ-UHFFFAOYSA-N 0 0 241.290 3.055 20 70 BGIDRN CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(Cl)o1 ZINC000218104490 385769791 /nfs/dbraw/zinc/76/97/91/385769791.db2.gz MUAXXUOOBDEFMO-HTQZYQBOSA-N 0 0 229.707 3.097 20 70 BGIDRN CC[C@H](C)[C@@H](C)NC(=O)c1ccc(Cl)o1 ZINC000218104565 171363564 /nfs/dbraw/zinc/36/35/64/171363564.db2.gz MUAXXUOOBDEFMO-JGVFFNPUSA-N 0 0 229.707 3.097 20 70 BGIDRN CC[C@@H](C)[C@H](C)NC(=O)c1ccc(Cl)o1 ZINC000218104661 385770528 /nfs/dbraw/zinc/77/05/28/385770528.db2.gz MUAXXUOOBDEFMO-SFYZADRCSA-N 0 0 229.707 3.097 20 70 BGIDRN CC[C@H](C)[C@H](C)NC(=O)c1ccc(Cl)o1 ZINC000218104743 171387978 /nfs/dbraw/zinc/38/79/78/171387978.db2.gz MUAXXUOOBDEFMO-YUMQZZPRSA-N 0 0 229.707 3.097 20 70 BGIDRN CC[C@@H](C)C(=O)OCc1ccc(Cl)cc1 ZINC000218106941 592152028 /nfs/dbraw/zinc/15/20/28/592152028.db2.gz HMASELREFHRLLA-SECBINFHSA-N 0 0 226.703 3.429 20 70 BGIDRN CC[C@H](C)C(=O)OCc1ccc(Cl)cc1 ZINC000218107024 592152304 /nfs/dbraw/zinc/15/23/04/592152304.db2.gz HMASELREFHRLLA-VIFPVBQESA-N 0 0 226.703 3.429 20 70 BGIDRN C[C@@H](COC(=O)c1ccccn1)c1ccccc1 ZINC000218109905 592151966 /nfs/dbraw/zinc/15/19/66/592151966.db2.gz PUBQMYBREADZMX-LBPRGKRZSA-N 0 0 241.290 3.042 20 70 BGIDRN C[C@H](COC(=O)c1ccccn1)c1ccccc1 ZINC000218109987 582716263 /nfs/dbraw/zinc/71/62/63/582716263.db2.gz PUBQMYBREADZMX-GFCCVEGCSA-N 0 0 241.290 3.042 20 70 BGIDRN Fc1cccc(NCCSc2ccccc2)n1 ZINC000218112397 134251611 /nfs/dbraw/zinc/25/16/11/134251611.db2.gz OVUREQUPBYDZLE-UHFFFAOYSA-N 0 0 248.326 3.425 20 70 BGIDRN CCC[C@H](C)OC(=O)c1cc(F)cnc1Cl ZINC000218158962 592152590 /nfs/dbraw/zinc/15/25/90/592152590.db2.gz YHYFMOVEXPIQCY-ZETCQYMHSA-N 0 0 245.681 3.220 20 70 BGIDRN CC(C)CCOC(=O)c1cc(F)cnc1Cl ZINC000218159464 592151559 /nfs/dbraw/zinc/15/15/59/592151559.db2.gz VNNJZDJYUSPCFL-UHFFFAOYSA-N 0 0 245.681 3.077 20 70 BGIDRN CCCCCOC(=O)c1cc(F)cnc1Cl ZINC000218160756 592152389 /nfs/dbraw/zinc/15/23/89/592152389.db2.gz NPIXMHOCGQGGFE-UHFFFAOYSA-N 0 0 245.681 3.221 20 70 BGIDRN O=C(NC1CCCCC1)C(F)=C1CCCC1 ZINC000218172074 592153624 /nfs/dbraw/zinc/15/36/24/592153624.db2.gz BFTNCQLGXUYEHH-UHFFFAOYSA-N 0 0 225.307 3.233 20 70 BGIDRN CCC(C)(CC)C(=O)OCC(C)(C)C ZINC000218177272 592153575 /nfs/dbraw/zinc/15/35/75/592153575.db2.gz FFIDLMPJRAEYEB-UHFFFAOYSA-N 0 0 200.322 3.402 20 70 BGIDRN CC(C)OC(=O)c1ccc(F)c(Cl)c1F ZINC000218181556 357267335 /nfs/dbraw/zinc/26/73/35/357267335.db2.gz JAKHGLXAQAIUDB-UHFFFAOYSA-N 0 0 234.629 3.183 20 70 BGIDRN C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cscn1 ZINC000218235201 176145020 /nfs/dbraw/zinc/14/50/20/176145020.db2.gz AJRKJDPCCWUFJQ-MXWKQRLJSA-N 0 0 224.373 3.372 20 70 BGIDRN CCN(CC)C(=O)c1ccccc1CC(C)C ZINC000218260393 592153352 /nfs/dbraw/zinc/15/33/52/592153352.db2.gz KHDJZJFUZPBOFI-UHFFFAOYSA-N 0 0 233.355 3.367 20 70 BGIDRN CC(C)(C)C(=O)CSCCC(F)(F)F ZINC000218267784 357270199 /nfs/dbraw/zinc/27/01/99/357270199.db2.gz JLPKBQPUZSGTMP-UHFFFAOYSA-N 0 0 228.279 3.287 20 70 BGIDRN Cc1ccc(C(=O)OC2CCCCCC2)n1C ZINC000218303864 583173196 /nfs/dbraw/zinc/17/31/96/583173196.db2.gz LSUWHRSJKCILMW-UHFFFAOYSA-N 0 0 235.327 3.213 20 70 BGIDRN CC/C=C(\C)C(=O)Nc1ccc(O)cc1Cl ZINC000218310680 583654003 /nfs/dbraw/zinc/65/40/03/583654003.db2.gz VGERVQHWAAXROX-XBXARRHUSA-N 0 0 239.702 3.340 20 70 BGIDRN CCCCCOC(=O)c1ccccc1C(C)=O ZINC000218357307 592154609 /nfs/dbraw/zinc/15/46/09/592154609.db2.gz RYSMREJYCRRENA-UHFFFAOYSA-N 0 0 234.295 3.236 20 70 BGIDRN CN(Cc1ccc(F)cc1)c1cccc(O)c1 ZINC000218368339 345745203 /nfs/dbraw/zinc/74/52/03/345745203.db2.gz SKUJNSCPXNTCTI-UHFFFAOYSA-N 0 0 231.270 3.168 20 70 BGIDRN CC(C)(C)CCCn1c2ccccc2oc1=O ZINC000218408154 357272085 /nfs/dbraw/zinc/27/20/85/357272085.db2.gz YQEGROHLBOWNAA-UHFFFAOYSA-N 0 0 233.311 3.421 20 70 BGIDRN CN(C(=O)/C=C\C(C)(C)C)c1ccccc1 ZINC000218429281 592154276 /nfs/dbraw/zinc/15/42/76/592154276.db2.gz OKKKTWCHSILHRT-KHPPLWFESA-N 0 0 217.312 3.252 20 70 BGIDRN CN(C(=O)/C=C/C(C)(C)C)c1ccccc1 ZINC000218429362 592154745 /nfs/dbraw/zinc/15/47/45/592154745.db2.gz OKKKTWCHSILHRT-ZHACJKMWSA-N 0 0 217.312 3.252 20 70 BGIDRN CCc1ccc(OCC(=O)OC2CCCC2)cc1 ZINC000218474428 592156156 /nfs/dbraw/zinc/15/61/56/592156156.db2.gz IAHYRGHLMZICIM-UHFFFAOYSA-N 0 0 248.322 3.114 20 70 BGIDRN CCc1ccccc1OCC(=O)OC1CCCC1 ZINC000218474527 592156519 /nfs/dbraw/zinc/15/65/19/592156519.db2.gz POTPATWQSGBVFW-UHFFFAOYSA-N 0 0 248.322 3.114 20 70 BGIDRN O=C(CC1CCCCC1)OC1CCCC1 ZINC000218475422 592156040 /nfs/dbraw/zinc/15/60/40/592156040.db2.gz WXOHPGWMXLICEU-UHFFFAOYSA-N 0 0 210.317 3.443 20 70 BGIDRN Cc1cc(C(=O)OC2CCCC2)sc1C ZINC000218475965 592156127 /nfs/dbraw/zinc/15/61/27/592156127.db2.gz CVEZBKZLCNPGAY-UHFFFAOYSA-N 0 0 224.325 3.464 20 70 BGIDRN Cc1ccc(CCC(=O)OC2CCCC2)cc1 ZINC000218476168 592156484 /nfs/dbraw/zinc/15/64/84/592156484.db2.gz PKJZLNFAHFCBIO-UHFFFAOYSA-N 0 0 232.323 3.413 20 70 BGIDRN Cc1cccc(CCC(=O)OC2CCCC2)c1 ZINC000218476306 592156606 /nfs/dbraw/zinc/15/66/06/592156606.db2.gz BVCSTMFKVWENTK-UHFFFAOYSA-N 0 0 232.323 3.413 20 70 BGIDRN CCCC[C@@H](C)C(=O)N(CCC)CCC ZINC000218528657 363131405 /nfs/dbraw/zinc/13/14/05/363131405.db2.gz XYFGNUPXRMZPNT-GFCCVEGCSA-N 0 0 213.365 3.461 20 70 BGIDRN CCCC[C@H](C)C(=O)N(CCC)CCC ZINC000218528740 345745152 /nfs/dbraw/zinc/74/51/52/345745152.db2.gz XYFGNUPXRMZPNT-LBPRGKRZSA-N 0 0 213.365 3.461 20 70 BGIDRN CSCCC(=O)OC1CCCCCCC1 ZINC000218531729 592161385 /nfs/dbraw/zinc/16/13/85/592161385.db2.gz MHMWAFPXBMIUEX-UHFFFAOYSA-N 0 0 230.373 3.396 20 70 BGIDRN CCC(CC)C(=O)OC[C@@H]1CC=CCC1 ZINC000218533344 592162009 /nfs/dbraw/zinc/16/20/09/592162009.db2.gz PNUXFTOGFIVMGJ-LLVKDONJSA-N 0 0 210.317 3.322 20 70 BGIDRN CCC(CC)C(=O)OC[C@H]1CC=CCC1 ZINC000218533419 592161526 /nfs/dbraw/zinc/16/15/26/592161526.db2.gz PNUXFTOGFIVMGJ-NSHDSACASA-N 0 0 210.317 3.322 20 70 BGIDRN O=C(OCCCC1CCCCC1)C1CC1 ZINC000218545655 592161911 /nfs/dbraw/zinc/16/19/11/592161911.db2.gz NISZWIMIWBYBOK-UHFFFAOYSA-N 0 0 210.317 3.300 20 70 BGIDRN C[C@@H]1CC=CC[C@@H]1COC(=O)[C@@H]1CC=CCC1 ZINC000218547134 592161711 /nfs/dbraw/zinc/16/17/11/592161711.db2.gz FAHZCLUYZQBIHV-MGPQQGTHSA-N 0 0 234.339 3.488 20 70 BGIDRN C[C@@H]1CC=CC[C@H]1COC(=O)[C@@H]1CC=CCC1 ZINC000218547283 592161599 /nfs/dbraw/zinc/16/15/99/592161599.db2.gz FAHZCLUYZQBIHV-MCIONIFRSA-N 0 0 234.339 3.488 20 70 BGIDRN C[C@@H]1CC=CC[C@@H]1COC(=O)C[C@@H]1C=CCC1 ZINC000218547462 592162006 /nfs/dbraw/zinc/16/20/06/592162006.db2.gz AOOSXMITAOYSSX-MGPQQGTHSA-N 0 0 234.339 3.488 20 70 BGIDRN C[C@@H]1CC=CC[C@H]1COC(=O)C[C@@H]1C=CCC1 ZINC000218547613 592161491 /nfs/dbraw/zinc/16/14/91/592161491.db2.gz AOOSXMITAOYSSX-MCIONIFRSA-N 0 0 234.339 3.488 20 70 BGIDRN Cc1ccc(C(=O)OC[C@@H]2CC=CC[C@@H]2C)n1C ZINC000218547817 592161372 /nfs/dbraw/zinc/16/13/72/592161372.db2.gz DVUXKOQNLLQBAK-AAEUAGOBSA-N 0 0 247.338 3.093 20 70 BGIDRN Cc1ccc(C(=O)OC[C@H]2CC=CC[C@@H]2C)n1C ZINC000218547879 592161984 /nfs/dbraw/zinc/16/19/84/592161984.db2.gz DVUXKOQNLLQBAK-WCQYABFASA-N 0 0 247.338 3.093 20 70 BGIDRN Cc1ccc(C(=O)OC[C@@H]2CC=CC[C@H]2C)n1C ZINC000218547942 592161391 /nfs/dbraw/zinc/16/13/91/592161391.db2.gz DVUXKOQNLLQBAK-YPMHNXCESA-N 0 0 247.338 3.093 20 70 BGIDRN Cc1ccc(C(=O)OC[C@H]2CC=CC[C@H]2C)n1C ZINC000218548020 592161637 /nfs/dbraw/zinc/16/16/37/592161637.db2.gz DVUXKOQNLLQBAK-DGCLKSJQSA-N 0 0 247.338 3.093 20 70 BGIDRN CCC(=O)Nc1ccccc1-c1csc(C)n1 ZINC000218569961 345744789 /nfs/dbraw/zinc/74/47/89/345744789.db2.gz SCLSEISQQIOZEX-UHFFFAOYSA-N 0 0 246.335 3.467 20 70 BGIDRN CC(=O)Nc1ccccc1-c1csc(C)n1 ZINC000218590779 345745138 /nfs/dbraw/zinc/74/51/38/345745138.db2.gz OPWKFCPBWNTHNW-UHFFFAOYSA-N 0 0 232.308 3.077 20 70 BGIDRN CCc1sc(-c2ccccn2)nc1C ZINC000218638453 592167706 /nfs/dbraw/zinc/16/77/06/592167706.db2.gz FMNQGCPYTYFXHZ-UHFFFAOYSA-N 0 0 204.298 3.076 20 70 BGIDRN CCC(C)(C)C1CCC(NC(=O)C(F)F)CC1 ZINC000218690388 592173231 /nfs/dbraw/zinc/17/32/31/592173231.db2.gz ZRAPXDCSDQYMJX-UHFFFAOYSA-N 0 0 247.329 3.363 20 70 BGIDRN CC(C)C(C)(C)CNC(=O)NCc1ccccc1 ZINC000218703329 134259561 /nfs/dbraw/zinc/25/95/61/134259561.db2.gz DFMPTYRQWBTITM-UHFFFAOYSA-N 0 0 248.370 3.168 20 70 BGIDRN CC(C)C(C)(C)CNC(=O)NC1CCCCC1 ZINC000218703596 256850554 /nfs/dbraw/zinc/85/05/54/256850554.db2.gz JTMMINUHFPNHNO-UHFFFAOYSA-N 0 0 240.391 3.301 20 70 BGIDRN