smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](Nc1ncnc2ccccc21)[C@@H](C)C(=O)[O-] ZINC000133474243 710970486 /nfs/dbraw/zinc/97/04/86/710970486.db2.gz YHNZAADUJOLNAS-RKDXNWHRSA-N -1 0 245.282 2.151 10 0 BEAERM Cc1cnc([C@H]2CC[C@H](C)C2)nc1C(=O)[O-] ZINC000300897911 711477772 /nfs/dbraw/zinc/47/77/72/711477772.db2.gz ILWURZHBYRURJO-CBAPKCEASA-N -1 0 220.272 2.387 10 0 BEAERM Cc1nn(C2CC2)c(C)c1C[C@@H](C)C(=O)[O-] ZINC000686525171 976113139 /nfs/dbraw/zinc/11/31/39/976113139.db2.gz HYLZVCSLDSTOHN-SSDOTTSWSA-N -1 0 222.288 2.098 10 0 BEAERM C[C@@H](CC(C)(C)C)C(=O)N(C)CCCC(=O)[O-] ZINC000704591175 977239191 /nfs/dbraw/zinc/23/91/91/977239191.db2.gz SCNRLIYGYAWMFJ-JTQLQIEISA-N -1 0 243.347 2.382 10 0 BEAERM C[C@@H](SCCCOC(F)(F)F)C(=O)[O-] ZINC000713424163 977635531 /nfs/dbraw/zinc/63/55/31/977635531.db2.gz UHZIOUAMXJDJJU-RXMQYKEDSA-N -1 0 232.223 2.119 10 0 BEAERM CCC(CC)C(=O)Nc1ncc(C(=O)[O-])s1 ZINC000719952017 978017422 /nfs/dbraw/zinc/01/74/22/978017422.db2.gz SCFXLMXDLOMNAH-UHFFFAOYSA-N -1 0 242.300 2.216 10 0 BEAERM CC(C)(CSCC(=O)[O-])CC(F)F ZINC000694064581 954772544 /nfs/dbraw/zinc/77/25/44/954772544.db2.gz QUGLCWOWBKVHFF-UHFFFAOYSA-N -1 0 212.261 2.486 10 0 BEAERM CC(C)[C@H]1CCCN(C(=O)CCCC(=O)[O-])C1 ZINC000694511924 954775954 /nfs/dbraw/zinc/77/59/54/954775954.db2.gz OMSYWOCZXGWDDQ-NSHDSACASA-N -1 0 241.331 2.136 10 0 BEAERM C[C@@H](SCCOC1CCCC1)C(=O)[O-] ZINC000701335191 954881910 /nfs/dbraw/zinc/88/19/10/954881910.db2.gz OJFFVYYHGBIGQQ-MRVPVSSYSA-N -1 0 218.318 2.152 10 0 BEAERM CC1(C)CC(C(=O)Nc2ncccc2C(=O)[O-])C1 ZINC000701454631 954883087 /nfs/dbraw/zinc/88/30/87/954883087.db2.gz KIHPHWVYLFSCOL-UHFFFAOYSA-N -1 0 248.282 2.155 10 0 BEAERM CC(C)N(CC(=O)[O-])C(=O)[C@@H](C)CC(C)(C)C ZINC000704568292 954926836 /nfs/dbraw/zinc/92/68/36/954926836.db2.gz GMDBEXTUMGAKJK-JTQLQIEISA-N -1 0 243.347 2.380 10 0 BEAERM O=C([O-])c1cccc(NC(=O)c2ccns2)c1 ZINC000705296488 954932844 /nfs/dbraw/zinc/93/28/44/954932844.db2.gz OXWADQICIAMLBS-UHFFFAOYSA-N -1 0 248.263 2.094 10 0 BEAERM O=C([O-])c1cccc(NC(=O)c2ccsn2)c1 ZINC000705375454 954933492 /nfs/dbraw/zinc/93/34/92/954933492.db2.gz DKKVJDHKSMJTHK-UHFFFAOYSA-N -1 0 248.263 2.094 10 0 BEAERM O=C([O-])CCSC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720584035 955181219 /nfs/dbraw/zinc/18/12/19/955181219.db2.gz QIPRGKDNETYQTR-KXUCPTDWSA-N -1 0 230.329 2.152 10 0 BEAERM CCC(C)(C)[C@@H](C)NC(=O)C(C)(C)C(=O)[O-] ZINC000695135835 968957802 /nfs/dbraw/zinc/95/78/02/968957802.db2.gz NWEFKSCZLFXLHS-MRVPVSSYSA-N -1 0 229.320 2.038 10 0 BEAERM C[C@H](NC(=O)[C@]1(C)CC[C@H](C)C1(C)C)C(=O)[O-] ZINC000699001001 968972930 /nfs/dbraw/zinc/97/29/30/968972930.db2.gz YFSYIIZKBPAMHU-RVBZMBCESA-N -1 0 241.331 2.038 10 0 BEAERM C[C@@H]1C[C@H](CSCC(=O)[O-])C[C@H](C)O1 ZINC000724401825 969124845 /nfs/dbraw/zinc/12/48/45/969124845.db2.gz FTUYQAPQBLTNGY-BRPSZJMVSA-N -1 0 218.318 2.008 10 0 BEAERM C[C@@H](NCc1csc(C(=O)[O-])c1)C(F)F ZINC000689077060 976205311 /nfs/dbraw/zinc/20/53/11/976205311.db2.gz HDRRKOGAOANXJZ-RXMQYKEDSA-N -1 0 235.255 2.190 10 0 BEAERM O=C([O-])c1cc(CN2CCC[C@H](F)C2)cs1 ZINC000689423313 976254033 /nfs/dbraw/zinc/25/40/33/976254033.db2.gz BNOUQSOSRXPJQK-VIFPVBQESA-N -1 0 243.303 2.380 10 0 BEAERM C[C@H](C(=O)Nc1cncc(C(=O)[O-])c1)C1CCC1 ZINC000692771518 976542394 /nfs/dbraw/zinc/54/23/94/976542394.db2.gz AFMRWDLLXXYVIN-QMMMGPOBSA-N -1 0 248.282 2.155 10 0 BEAERM CCC(C)(C)[C@H](C)Nc1ccc(C(=O)[O-])nn1 ZINC000695167305 976787447 /nfs/dbraw/zinc/78/74/47/976787447.db2.gz KEGLLFOPZZININ-QMMMGPOBSA-N -1 0 237.303 2.411 10 0 BEAERM O=C([O-])c1cncc(N[C@H]2CCCC3(CC3)C2)n1 ZINC000695650702 976799125 /nfs/dbraw/zinc/79/91/25/976799125.db2.gz OOTACPHNEKHNIO-VIFPVBQESA-N -1 0 247.298 2.310 10 0 BEAERM CC[C@H](C)CCNc1cnc(C(=O)[O-])cn1 ZINC000696291219 976810145 /nfs/dbraw/zinc/81/01/45/976810145.db2.gz QZCVBFCCIFTCIM-QMMMGPOBSA-N -1 0 223.276 2.023 10 0 BEAERM CCC(C)(C)CC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000696249710 976810266 /nfs/dbraw/zinc/81/02/66/976810266.db2.gz OIHGWYHZOXFZCZ-ZJUUUORDSA-N -1 0 241.331 2.182 10 0 BEAERM O=C([O-])CCSC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000697830435 976863658 /nfs/dbraw/zinc/86/36/58/976863658.db2.gz DESIBLCZFXERND-AYMMMOKOSA-N -1 0 200.303 2.240 10 0 BEAERM O=C([O-])c1ccc(NC(=O)N[C@@H]2C=CCC2)cc1 ZINC000698197893 976883583 /nfs/dbraw/zinc/88/35/83/976883583.db2.gz SQVIHASSRMEFRH-SNVBAGLBSA-N -1 0 246.266 2.225 10 0 BEAERM CC(F)(F)CN[C@H](C(=O)[O-])c1ccccc1 ZINC000700110507 976935314 /nfs/dbraw/zinc/93/53/14/976935314.db2.gz PGFXIDHKEIYPLM-VIFPVBQESA-N -1 0 229.226 2.057 10 0 BEAERM CC(C)(CSC[C@H]1CCCCO1)C(=O)[O-] ZINC000700237270 976939443 /nfs/dbraw/zinc/93/94/43/976939443.db2.gz LNXLYHMFEGPUCR-SECBINFHSA-N -1 0 232.345 2.400 10 0 BEAERM Cc1cnc(CSCC(C)(C)C(=O)[O-])nc1 ZINC000700325134 976946894 /nfs/dbraw/zinc/94/68/94/976946894.db2.gz BZKILLISAXMGKJ-UHFFFAOYSA-N -1 0 240.328 2.129 10 0 BEAERM Cc1cnc(CSCC(C)(C)C(=O)[O-])cn1 ZINC000700344630 976949677 /nfs/dbraw/zinc/94/96/77/976949677.db2.gz OREQIKXBGPTXOE-UHFFFAOYSA-N -1 0 240.328 2.129 10 0 BEAERM CC1(C)CC(CNc2nccnc2C(=O)[O-])C1 ZINC000701696676 977035035 /nfs/dbraw/zinc/03/50/35/977035035.db2.gz YAEYLJDTWMFSAW-UHFFFAOYSA-N -1 0 235.287 2.023 10 0 BEAERM CCCC[C@@H](S[C@@H]1CCOC1)C(=O)[O-] ZINC000703050562 977148225 /nfs/dbraw/zinc/14/82/25/977148225.db2.gz KBHLXTGSYQOUIM-RKDXNWHRSA-N -1 0 218.318 2.152 10 0 BEAERM O=C([O-])CSCc1cncc(Cl)c1 ZINC000703638301 977174295 /nfs/dbraw/zinc/17/42/95/977174295.db2.gz LIBRMHOAXWPXQO-UHFFFAOYSA-N -1 0 217.677 2.053 10 0 BEAERM C[C@@H](CC(=O)[O-])SCc1ccc(Cl)nn1 ZINC000703929146 977211047 /nfs/dbraw/zinc/21/10/47/977211047.db2.gz GKDKNMZBVZCYEC-LURJTMIESA-N -1 0 246.719 2.226 10 0 BEAERM C[C@H](CC(C)(C)C)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000704569509 977238200 /nfs/dbraw/zinc/23/82/00/977238200.db2.gz LQUKBRAGFNDPGO-SCZZXKLOSA-N -1 0 241.331 2.038 10 0 BEAERM C[C@H](CC(C)(C)C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000704592075 977239063 /nfs/dbraw/zinc/23/90/63/977239063.db2.gz UYRNVILWYOZODP-BBBLOLIVSA-N -1 0 241.331 2.038 10 0 BEAERM CC[C@@](C)(NC(=O)[C@@H](C)CC(C)(C)C)C(=O)[O-] ZINC000704598616 977239171 /nfs/dbraw/zinc/23/91/71/977239171.db2.gz NPHLKCAHTNWYOG-TVQRCGJNSA-N -1 0 243.347 2.428 10 0 BEAERM CC[C@@](C)(NC(=O)[C@H](C)CC(C)(C)C)C(=O)[O-] ZINC000704598614 977239209 /nfs/dbraw/zinc/23/92/09/977239209.db2.gz NPHLKCAHTNWYOG-NOZJJQNGSA-N -1 0 243.347 2.428 10 0 BEAERM CC(C)[C@@H](NC(=O)[C@@H](C)CC(C)(C)C)C(=O)[O-] ZINC000704585739 977239233 /nfs/dbraw/zinc/23/92/33/977239233.db2.gz CRHLYYKEURWFPR-VHSXEESVSA-N -1 0 243.347 2.284 10 0 BEAERM CC[C@H](CNC(=O)[C@H](C)CC(C)(C)C)C(=O)[O-] ZINC000704591196 977239388 /nfs/dbraw/zinc/23/93/88/977239388.db2.gz SLJVYRVMOZHLRT-NXEZZACHSA-N -1 0 243.347 2.286 10 0 BEAERM C[C@H](CC(C)(C)C)C(=O)NCCCC(=O)[O-] ZINC000704739572 977250592 /nfs/dbraw/zinc/25/05/92/977250592.db2.gz ONBHRPBLSUZSTO-SECBINFHSA-N -1 0 229.320 2.040 10 0 BEAERM C[C@@H](Nc1ncc(C(=O)[O-])s1)C1(C)CC1 ZINC000706568050 977354802 /nfs/dbraw/zinc/35/48/02/977354802.db2.gz HXSGSDRRFBCKIN-ZCFIWIBFSA-N -1 0 226.301 2.442 10 0 BEAERM Cc1cc(C(=O)[O-])nc(N2CCC23CCCC3)n1 ZINC000707307900 977382552 /nfs/dbraw/zinc/38/25/52/977382552.db2.gz UPXYAPJRWOFOTE-UHFFFAOYSA-N -1 0 247.298 2.006 10 0 BEAERM C[C@@H](CC(=O)[O-])SC[C@H]1CC(C)(C)CO1 ZINC000708379387 977425281 /nfs/dbraw/zinc/42/52/81/977425281.db2.gz PJMGFHDTUOHRLF-DTWKUNHWSA-N -1 0 232.345 2.398 10 0 BEAERM C[C@@H](CC(=O)[O-])SC[C@@H]1CC(C)(C)CO1 ZINC000708379388 977425470 /nfs/dbraw/zinc/42/54/70/977425470.db2.gz PJMGFHDTUOHRLF-IUCAKERBSA-N -1 0 232.345 2.398 10 0 BEAERM C[C@@H]1Cc2ncn(CC3(C(=O)[O-])CC3)c2C[C@H]1C ZINC000709462646 977459626 /nfs/dbraw/zinc/45/96/26/977459626.db2.gz PQRPRCXSPFCAEN-NXEZZACHSA-N -1 0 248.326 2.119 10 0 BEAERM CC(C)C[C@H](Sc1ncccn1)C(=O)[O-] ZINC000710048363 977476800 /nfs/dbraw/zinc/47/68/00/977476800.db2.gz PNPQBFXMEBNYNV-QMMMGPOBSA-N -1 0 226.301 2.068 10 0 BEAERM C[C@@H](CO)SCc1cc(C(=O)[O-])cs1 ZINC000711483142 977550444 /nfs/dbraw/zinc/55/04/44/977550444.db2.gz AZBKOKAZGGRZJQ-LURJTMIESA-N -1 0 232.326 2.060 10 0 BEAERM O=C([O-])c1ccnc(NC[C@H]2C=CCC2)c1 ZINC000711761223 977572962 /nfs/dbraw/zinc/57/29/62/977572962.db2.gz STJSAKQHSUWJKK-VIFPVBQESA-N -1 0 218.256 2.158 10 0 BEAERM C[C@H](SC[C@@H]1CCC(C)(C)CO1)C(=O)[O-] ZINC000713379163 977634158 /nfs/dbraw/zinc/63/41/58/977634158.db2.gz YNQTVGVSQKPQSU-IUCAKERBSA-N -1 0 232.345 2.398 10 0 BEAERM C=C/C=C/CCNC(=O)c1cccc(C(=O)[O-])c1 ZINC000713457254 977636672 /nfs/dbraw/zinc/63/66/72/977636672.db2.gz IERSNMPBGRYJPD-ONEGZZNKSA-N -1 0 245.278 2.247 10 0 BEAERM O=C([O-])CSCC[C@@H]1C[C@H]1C1CC1 ZINC000715454749 977757773 /nfs/dbraw/zinc/75/77/73/977757773.db2.gz DYWDWWHPYBUMMN-BDAKNGLRSA-N -1 0 200.303 2.240 10 0 BEAERM O=C([O-])c1ccc(NC(=O)N[C@H]2CC23CC3)cc1 ZINC000715844831 977793093 /nfs/dbraw/zinc/79/30/93/977793093.db2.gz PDBUOCGAWHQLJQ-JTQLQIEISA-N -1 0 246.266 2.059 10 0 BEAERM O=C([O-])c1cncc(NCC[C@@H]2CC[C@@H]3C[C@@H]32)n1 ZINC000716990751 977869778 /nfs/dbraw/zinc/86/97/78/977869778.db2.gz HYTSJBLGCBPSNV-IVZWLZJFSA-N -1 0 247.298 2.023 10 0 BEAERM O=C([O-])CC1CC(Nc2nc(Cl)cs2)C1 ZINC000718114883 977952422 /nfs/dbraw/zinc/95/24/22/977952422.db2.gz KAWPHKOTGLOBNO-UHFFFAOYSA-N -1 0 246.719 2.462 10 0 BEAERM COC[C@@H](CS[C@@H](C)C(=O)[O-])C(C)C ZINC000721920274 978130584 /nfs/dbraw/zinc/13/05/84/978130584.db2.gz OJEFQYWAMCAWJC-IUCAKERBSA-N -1 0 220.334 2.111 10 0 BEAERM C[C@H](CC(=O)[O-])Sc1cc(C(F)F)ncn1 ZINC000724634587 978232594 /nfs/dbraw/zinc/23/25/94/978232594.db2.gz CILWIADUUQUTMW-RXMQYKEDSA-N -1 0 248.254 2.370 10 0 BEAERM CCC[C@H](C)COCC(F)(F)C(=O)[O-] ZINC000685956125 538902100 /nfs/dbraw/zinc/90/21/00/538902100.db2.gz XVVHXNLCULNYCF-ZETCQYMHSA-N -1 0 210.220 2.159 10 0 BEAERM Cc1occc1SCC(F)(F)C(=O)[O-] ZINC000685956693 538903797 /nfs/dbraw/zinc/90/37/97/538903797.db2.gz ZKBSUEUQMOZRKZ-UHFFFAOYSA-N -1 0 222.212 2.400 10 0 BEAERM COc1ccc(CC(F)(F)C(=O)[O-])s1 ZINC000685957601 538905013 /nfs/dbraw/zinc/90/50/13/538905013.db2.gz CJZFOBPAGYCISH-UHFFFAOYSA-N -1 0 222.212 2.019 10 0 BEAERM Cc1nc(C(Cl)(Cl)Cl)[n-]c(=O)c1F ZINC000685958660 538906577 /nfs/dbraw/zinc/90/65/77/538906577.db2.gz CYPKYGLGJNPWBP-UHFFFAOYSA-N -1 0 245.468 2.456 10 0 BEAERM C[C@H]1[N-]C(=S)Oc2cn(C3CCCC3)nc21 ZINC000685965753 538912625 /nfs/dbraw/zinc/91/26/25/538912625.db2.gz RISSYTSOKMRUIF-SSDOTTSWSA-N -1 0 237.328 2.326 10 0 BEAERM COc1cc(C[C@@H](C)C(=O)[O-])cc(F)c1OC ZINC000258182604 349493274 /nfs/dbraw/zinc/49/32/74/349493274.db2.gz ALABHZYVYAIBIA-SSDOTTSWSA-N -1 0 242.246 2.106 10 0 BEAERM CC(=O)c1c2ccccc2[nH]c1C(=O)[O-] ZINC000034464241 187321287 /nfs/dbraw/zinc/32/12/87/187321287.db2.gz OYPBMIAOTCXDQQ-UHFFFAOYSA-N -1 0 203.197 2.069 10 0 BEAERM CCc1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1C ZINC000385316061 398148081 /nfs/dbraw/zinc/14/80/81/398148081.db2.gz FYUAIBRMGIWTMF-RYUDHWBXSA-N -1 0 247.294 2.217 10 0 BEAERM Cn1nc(C2CCCCC2)cc1C(=O)[O-] ZINC000008737718 398194909 /nfs/dbraw/zinc/19/49/09/398194909.db2.gz HGJTUKWENULWPS-UHFFFAOYSA-N -1 0 208.261 2.166 10 0 BEAERM Cc1cc(N2CCCC2=O)ccc1/C=C/C(=O)[O-] ZINC000049593569 178112160 /nfs/dbraw/zinc/11/21/60/178112160.db2.gz KEVCZUYGZLKATE-FNORWQNLSA-N -1 0 245.278 2.220 10 0 BEAERM Cc1cc(NC(=O)NC2CC2)cc(C(=O)[O-])c1C ZINC000062348855 178138559 /nfs/dbraw/zinc/13/85/59/178138559.db2.gz NPLMKMDVXMZTDR-UHFFFAOYSA-N -1 0 248.282 2.286 10 0 BEAERM Cc1cc(NC(=O)C2CC2)ccc1/C=C/C(=O)[O-] ZINC000049592081 178125312 /nfs/dbraw/zinc/12/53/12/178125312.db2.gz NHOSORKAZIEHBP-FNORWQNLSA-N -1 0 245.278 2.441 10 0 BEAERM Cc1cc(NC(=O)C2CC2)ccc1/C=C\C(=O)[O-] ZINC000103363762 178125954 /nfs/dbraw/zinc/12/59/54/178125954.db2.gz NHOSORKAZIEHBP-ALCCZGGFSA-N -1 0 245.278 2.441 10 0 BEAERM O=C(c1ccccc1)c1cccc([S@@](=O)[O-])c1 ZINC000162864017 538925142 /nfs/dbraw/zinc/92/51/42/538925142.db2.gz 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O=C([O-])Cc1ccc(OC(F)F)cc1F ZINC000238692657 345111505 /nfs/dbraw/zinc/11/15/05/345111505.db2.gz BJHAHVOCNGSBNF-UHFFFAOYSA-N -1 0 220.146 2.054 10 0 BEAERM N#Cc1cc(C(F)(F)F)ccc1CC(=O)[O-] ZINC000390096727 345228504 /nfs/dbraw/zinc/22/85/04/345228504.db2.gz MPDUJLSBNKRJPL-UHFFFAOYSA-N -1 0 229.157 2.204 10 0 BEAERM Cc1cc2c(cc1C)[C@@H](C(=O)[O-])CCN2 ZINC000071482114 537893930 /nfs/dbraw/zinc/89/39/30/537893930.db2.gz DSYOSKFSOQGZPX-VIFPVBQESA-N -1 0 205.257 2.287 10 0 BEAERM C[C@@H](Oc1nccc2ccccc21)C(=O)[O-] ZINC000390334643 345398036 /nfs/dbraw/zinc/39/80/36/345398036.db2.gz LKIZPBUVBUUWPG-MRVPVSSYSA-N -1 0 217.224 2.087 10 0 BEAERM O=C([O-])N1c2ccccc2NC[C@@H]1c1cn[nH]c1 ZINC000616692566 345557634 /nfs/dbraw/zinc/55/76/34/345557634.db2.gz XFPOBWKEOUKQDR-LLVKDONJSA-N -1 0 244.254 2.061 10 0 BEAERM CO[C@@H]1CCCC[C@H]1C(C)(C)C(=O)[O-] ZINC000221499180 345582216 /nfs/dbraw/zinc/58/22/16/345582216.db2.gz VGKLJCZOTQXKFJ-RKDXNWHRSA-N -1 0 200.278 2.302 10 0 BEAERM Nc1ccc([C@@H](Cc2ccncc2)C(=O)[O-])cc1 ZINC000032100120 345720376 /nfs/dbraw/zinc/72/03/76/345720376.db2.gz YYNUIRFXGLBDPS-CYBMUJFWSA-N -1 0 242.278 2.075 10 0 BEAERM O=C([O-])CCCCCOc1cccc(O)c1 ZINC000033961983 345813959 /nfs/dbraw/zinc/81/39/59/345813959.db2.gz GYZQJYRJBDCCLR-UHFFFAOYSA-N -1 0 224.256 2.416 10 0 BEAERM C=C[C@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000164491016 345785202 /nfs/dbraw/zinc/78/52/02/345785202.db2.gz UDGQZNQOSUOHQP-SECBINFHSA-N -1 0 206.241 2.440 10 0 BEAERM O=C([O-])[C@@H](O)c1ccccc1-c1ccccc1 ZINC000138833477 345787637 /nfs/dbraw/zinc/78/76/37/345787637.db2.gz WALKRVAOWHAQMY-ZDUSSCGKSA-N -1 0 228.247 2.472 10 0 BEAERM CCC[C@]1(C(=O)[O-])COc2ccccc2O1 ZINC000139669983 345801083 /nfs/dbraw/zinc/80/10/83/345801083.db2.gz MJHCSKFFAJBYSN-GFCCVEGCSA-N -1 0 222.240 2.081 10 0 BEAERM CCOC(=O)c1cc(=O)c2c(C)cccc2[n-]1 ZINC000140484049 345855006 /nfs/dbraw/zinc/85/50/06/345855006.db2.gz UTACDTXZQDNBNM-UHFFFAOYSA-N -1 0 231.251 2.426 10 0 BEAERM C[C@@H](CC(=O)[O-])CC(=O)OCC[Si](C)(C)C ZINC000218679424 345855433 /nfs/dbraw/zinc/85/54/33/345855433.db2.gz KTGURSUTLZFGBH-VIFPVBQESA-N -1 0 246.379 2.369 10 0 BEAERM Cn1nc(C(=O)[O-])cc1-c1c(F)cccc1F ZINC000142250275 345862564 /nfs/dbraw/zinc/86/25/64/345862564.db2.gz JNBZIBNGPCZSKZ-UHFFFAOYSA-N -1 0 238.193 2.064 10 0 BEAERM O=C([O-])/C=C/c1cnn(Cc2ccc(F)cc2)c1 ZINC000084949478 345928659 /nfs/dbraw/zinc/92/86/59/345928659.db2.gz UMGZWYHGXZTJTN-ZZXKWVIFSA-N -1 0 246.241 2.168 10 0 BEAERM CC(=O)c1cccc(Br)c1C(=O)[O-] ZINC000096986847 187363139 /nfs/dbraw/zinc/36/31/39/187363139.db2.gz LIVPXTXMPSKTBG-UHFFFAOYSA-N -1 0 243.056 2.350 10 0 BEAERM O=C([O-])c1ccccc1Sc1cnccn1 ZINC000019506177 187313906 /nfs/dbraw/zinc/31/39/06/187313906.db2.gz FMIYXLBIRTZHQJ-UHFFFAOYSA-N -1 0 232.264 2.326 10 0 BEAERM Cc1cc2c(nc(C(=O)[O-])cc2Cl)[nH]1 ZINC000096321085 346113019 /nfs/dbraw/zinc/11/30/19/346113019.db2.gz JDWVBFLPXCBLTA-UHFFFAOYSA-N -1 0 210.620 2.223 10 0 BEAERM CC1(C)Cc2cc(N)c(C(=O)[O-])cc2C1 ZINC000669371931 537948510 /nfs/dbraw/zinc/94/85/10/537948510.db2.gz BWEIHEREBBHYPH-UHFFFAOYSA-N -1 0 205.257 2.092 10 0 BEAERM CC(C)(C)Oc1ccc(C(=O)[O-])cc1C=O ZINC000669371990 537948724 /nfs/dbraw/zinc/94/87/24/537948724.db2.gz GASCIJADPVHWGJ-UHFFFAOYSA-N -1 0 222.240 2.375 10 0 BEAERM Cc1nc(C(=O)[O-])c(C2CCOCC2)s1 ZINC000235949347 346173869 /nfs/dbraw/zinc/17/38/69/346173869.db2.gz RMJGKEJIADWYKK-UHFFFAOYSA-N -1 0 227.285 2.044 10 0 BEAERM Fc1ccccc1Cc1nc(=S)o[n-]1 ZINC000061881182 346176596 /nfs/dbraw/zinc/17/65/96/346176596.db2.gz IPUZMGITGINNBX-UHFFFAOYSA-N -1 0 210.233 2.088 10 0 BEAERM Cc1[n-]n(C)c(=O)c1-c1ccc(Cl)nc1 ZINC000675054625 537952175 /nfs/dbraw/zinc/95/21/75/537952175.db2.gz SENSBLAHJWFPRP-UHFFFAOYSA-N -1 0 223.663 2.150 10 0 BEAERM CC(C)(C)c1c(C(=O)[O-])[nH]c2c1C(=O)CC2 ZINC000115009317 346159849 /nfs/dbraw/zinc/15/98/49/346159849.db2.gz YBRDHVJBTREBIO-UHFFFAOYSA-N -1 0 221.256 2.139 10 0 BEAERM Cc1cccc(-c2scnc2C(=O)[O-])n1 ZINC000074076138 179000203 /nfs/dbraw/zinc/00/02/03/179000203.db2.gz SRUQIDUTFGCXOU-UHFFFAOYSA-N -1 0 220.253 2.212 10 0 BEAERM CCOC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000167145853 346204101 /nfs/dbraw/zinc/20/41/01/346204101.db2.gz OSTHDVQBVPGLAC-JTQLQIEISA-N -1 0 249.266 2.221 10 0 BEAERM Cc1cccc(-c2nc(C(=O)[O-])c[nH]2)c1C ZINC000051170798 178995099 /nfs/dbraw/zinc/99/50/99/178995099.db2.gz MQHOAQGZXVCRCL-UHFFFAOYSA-N -1 0 216.240 2.392 10 0 BEAERM O=C([O-])c1cc(Cl)cn1CC(F)F ZINC000167255489 346223302 /nfs/dbraw/zinc/22/33/02/346223302.db2.gz VQTWZUWULVAYIJ-UHFFFAOYSA-N -1 0 209.579 2.105 10 0 BEAERM C/C(=C/C(=O)[O-])COCCCc1ccncc1 ZINC000104268367 166231012 /nfs/dbraw/zinc/23/10/12/166231012.db2.gz ZIITYUKRFMWXKR-LUAWRHEFSA-N -1 0 235.283 2.062 10 0 BEAERM O=c1ncn(-c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000034260751 346239681 /nfs/dbraw/zinc/23/96/81/346239681.db2.gz ZOSCWEBFKWFJEE-UHFFFAOYSA-N -1 0 230.054 2.280 10 0 BEAERM Cc1c(C(=O)[O-])ncn1-c1c(C)cccc1C ZINC000076677132 179029393 /nfs/dbraw/zinc/02/93/93/179029393.db2.gz HWTSNYLOSPWJNT-UHFFFAOYSA-N -1 0 230.267 2.496 10 0 BEAERM Cc1cccc(C)c1[C@@H]1N[C@@H](C(=O)[O-])CS1 ZINC000083365028 179049509 /nfs/dbraw/zinc/04/95/09/179049509.db2.gz HCHXSQSHJFHOBT-MWLCHTKSSA-N -1 0 237.324 2.092 10 0 BEAERM CCOC1(C(=O)[O-])CCC(C)(C)CC1 ZINC000148545256 346311518 /nfs/dbraw/zinc/31/15/18/346311518.db2.gz KNUGQUFLFMVZJI-UHFFFAOYSA-N -1 0 200.278 2.447 10 0 BEAERM Cc1cccc(C)c1NC[C@@H](C)C(=O)[O-] ZINC000049813806 179043454 /nfs/dbraw/zinc/04/34/54/179043454.db2.gz MNNHQTSFPHBRRR-SNVBAGLBSA-N -1 0 207.273 2.436 10 0 BEAERM Cc1cccc(C)c1OC[C@@H](C)C(=O)[O-] ZINC000041217328 179047486 /nfs/dbraw/zinc/04/74/86/179047486.db2.gz QPPIOGKWFDFJSO-SNVBAGLBSA-N -1 0 208.257 2.403 10 0 BEAERM CCOC(C)(C)c1nc(Cl)cc(C(=O)[O-])n1 ZINC000669378298 537969266 /nfs/dbraw/zinc/96/92/66/537969266.db2.gz DJWVEMKMEGLWPF-UHFFFAOYSA-N -1 0 244.678 2.100 10 0 BEAERM Cc1cccc(CCOCCC(=O)[O-])c1C ZINC000057952315 179061361 /nfs/dbraw/zinc/06/13/61/179061361.db2.gz DMGIVPLAZLXUAA-UHFFFAOYSA-N -1 0 222.284 2.337 10 0 BEAERM CC(C)CCc1nc(Cl)cc(C(=O)[O-])n1 ZINC000669378638 537971234 /nfs/dbraw/zinc/97/12/34/537971234.db2.gz KQPBRSFXHAESEH-UHFFFAOYSA-N -1 0 228.679 2.417 10 0 BEAERM C[C@H]1CC[C@H](c2nc(Cl)cc(C(=O)[O-])n2)O1 ZINC000669379090 537975620 /nfs/dbraw/zinc/97/56/20/537975620.db2.gz WVWQPPQRLPZSJH-CAHLUQPWSA-N -1 0 242.662 2.068 10 0 BEAERM Cc1[n-]n(C)c(=O)c1-c1cnc(Cl)s1 ZINC000675054845 537977887 /nfs/dbraw/zinc/97/78/87/537977887.db2.gz UXQBZJUJQNBXSV-UHFFFAOYSA-N -1 0 229.692 2.211 10 0 BEAERM Cc1c(N)cncc1-c1cccc(C(=O)[O-])c1 ZINC000725240727 537977936 /nfs/dbraw/zinc/97/79/36/537977936.db2.gz PGFADYXQOBRKQV-UHFFFAOYSA-N -1 0 228.251 2.337 10 0 BEAERM CC(C)(Sc1ncc(F)cc1F)C(=O)[O-] ZINC000161068031 346473602 /nfs/dbraw/zinc/47/36/02/346473602.db2.gz DRDBODUFNCBMCR-UHFFFAOYSA-N -1 0 233.239 2.315 10 0 BEAERM Cc1nc(C=C([O-])c2cnsn2)sc1C ZINC000161523091 346491076 /nfs/dbraw/zinc/49/10/76/346491076.db2.gz DJIVWBPNPDEBAD-UHFFFAOYSA-N -1 0 239.325 2.037 10 0 BEAERM CC(C)(Sc1cncc(Cl)n1)C(=O)[O-] ZINC000163051622 346546169 /nfs/dbraw/zinc/54/61/69/346546169.db2.gz QUXKDVVXECXLEV-UHFFFAOYSA-N -1 0 232.692 2.085 10 0 BEAERM CC(=O)c1nc(-c2cc(C(=O)[O-])co2)cs1 ZINC000669379709 537982894 /nfs/dbraw/zinc/98/28/94/537982894.db2.gz KIRVSAPLZPHBOF-UHFFFAOYSA-N -1 0 237.236 2.304 10 0 BEAERM CC(C)(C)Nc1c(N)cccc1C(=O)[O-] ZINC000164071391 346589131 /nfs/dbraw/zinc/58/91/31/346589131.db2.gz PDNQAIZTLKXDKB-UHFFFAOYSA-N -1 0 208.261 2.177 10 0 BEAERM CC(C)(C)Nc1nccc(C(=O)[O-])c1F ZINC000164110593 346590986 /nfs/dbraw/zinc/59/09/86/346590986.db2.gz HXHFVVNNRDPUJS-UHFFFAOYSA-N -1 0 212.224 2.129 10 0 BEAERM C[C@H]1C[C@@H]1c1nc(C2CC2)c(C(=O)[O-])o1 ZINC000164745100 346622333 /nfs/dbraw/zinc/62/23/33/346622333.db2.gz WNFXAAASTHQILU-FSPLSTOPSA-N -1 0 207.229 2.374 10 0 BEAERM O=C([O-])[C@]1(Cc2nccs2)CCCS1 ZINC000166541569 346679798 /nfs/dbraw/zinc/67/97/98/346679798.db2.gz XMTAOZJFTIHAIH-SECBINFHSA-N -1 0 229.326 2.036 10 0 BEAERM CCCCOc1ccc(S(=O)(=O)[O-])cc1 ZINC000098125176 346770095 /nfs/dbraw/zinc/77/00/95/346770095.db2.gz HCOADTVJXSJDJI-UHFFFAOYSA-N -1 0 230.285 2.112 10 0 BEAERM CCCCN1C(=O)C[C@@H](C(=O)[O-])c2ccccc21 ZINC000038869405 347169650 /nfs/dbraw/zinc/16/96/50/347169650.db2.gz VHDZJLPCMDYSRV-LLVKDONJSA-N -1 0 247.294 2.392 10 0 BEAERM Cc1cc(Cc2cccnc2)cc(C=O)c1O ZINC000039619829 347192605 /nfs/dbraw/zinc/19/26/05/347192605.db2.gz DSYVJYSKSZWSQP-UHFFFAOYSA-N -1 0 227.263 2.499 10 0 BEAERM Cc1cccc([C@@H](NCC(F)(F)F)C(=O)[O-])c1 ZINC000037973138 179186684 /nfs/dbraw/zinc/18/66/84/179186684.db2.gz FSTGGTNVLBGFIY-SECBINFHSA-N -1 0 247.216 2.273 10 0 BEAERM CC(C)c1cc2nc(C(F)F)nn2c([O-])c1 ZINC000725243044 537989704 /nfs/dbraw/zinc/98/97/04/537989704.db2.gz HJAWJIKOLAXERH-UHFFFAOYSA-N -1 0 227.214 2.496 10 0 BEAERM CC1=CCCN(c2ccc(C(=O)[O-])o2)C1 ZINC000230813428 347506691 /nfs/dbraw/zinc/50/66/91/347506691.db2.gz XFBWIVBQSPFMEG-UHFFFAOYSA-N -1 0 207.229 2.134 10 0 BEAERM C[C@@H]1CC[C@@H](c2ncc(C(=O)[O-])s2)O1 ZINC000149819148 347523336 /nfs/dbraw/zinc/52/33/36/347523336.db2.gz GOUSYHDYVHBUIF-RITPCOANSA-N -1 0 213.258 2.081 10 0 BEAERM CC[C@H](C)c1nc2cc(C)cc(O)n2n1 ZINC000725243145 537991625 /nfs/dbraw/zinc/99/16/25/537991625.db2.gz MGGAORUAGNTCIT-QMMMGPOBSA-N -1 0 205.261 2.257 10 0 BEAERM Cc1ccccc1CNc1nccnc1C(=O)[O-] ZINC000054528268 179286139 /nfs/dbraw/zinc/28/61/39/179286139.db2.gz AYPNPQUJCWQGJO-UHFFFAOYSA-N -1 0 243.266 2.095 10 0 BEAERM Cc1ccccc1N(C)C[C@H](C)C(=O)[O-] ZINC000049813891 179294075 /nfs/dbraw/zinc/29/40/75/179294075.db2.gz IPJNHETXXAZALY-JTQLQIEISA-N -1 0 207.273 2.152 10 0 BEAERM Cc1ccccc1N[C@H](C(=O)[O-])C1CC1 ZINC000041047511 179306746 /nfs/dbraw/zinc/30/67/46/179306746.db2.gz MQWCURAVTRWBOX-NSHDSACASA-N -1 0 205.257 2.270 10 0 BEAERM CCOC(=O)[C@]1(C(=O)[O-])CCC[C@H](CC)C1 ZINC000725243659 537994166 /nfs/dbraw/zinc/99/41/66/537994166.db2.gz BAGWALSBCVNPTF-JOYOIKCWSA-N -1 0 228.288 2.221 10 0 BEAERM CCOC(=O)C1(C(=O)[O-])CCC(C)(C)CC1 ZINC000725243776 537994578 /nfs/dbraw/zinc/99/45/78/537994578.db2.gz HJGBWCIPFAGVRX-UHFFFAOYSA-N -1 0 228.288 2.221 10 0 BEAERM O=C([O-])c1csc(-c2cccc(O)c2)n1 ZINC000036893218 347967793 /nfs/dbraw/zinc/96/77/93/347967793.db2.gz PJBROFATYWROMQ-UHFFFAOYSA-N -1 0 221.237 2.214 10 0 BEAERM Cc1ccccc1[C@H](C)NC(=O)CCCC(=O)[O-] ZINC000035135335 179335969 /nfs/dbraw/zinc/33/59/69/179335969.db2.gz HTCODUYQOIRDCH-NSHDSACASA-N -1 0 249.310 2.427 10 0 BEAERM CC(C)(C)OC(=O)C1(C(=O)[O-])CC(C)(C)C1 ZINC000725243800 537996222 /nfs/dbraw/zinc/99/62/22/537996222.db2.gz IJMWDJFOVOJQLW-UHFFFAOYSA-N -1 0 228.288 2.219 10 0 BEAERM COC(=O)[C@]1(C(=O)[O-])CCCC(C)(C)CC1 ZINC000725244570 537998732 /nfs/dbraw/zinc/99/87/32/537998732.db2.gz JSDAQHTWQRPMSJ-GFCCVEGCSA-N -1 0 228.288 2.221 10 0 BEAERM COC(=O)[C@H](C)c1ccc([S-])cc1F ZINC000203450531 348190520 /nfs/dbraw/zinc/19/05/20/348190520.db2.gz RSTWYKVWGRJKEQ-ZCFIWIBFSA-N -1 0 214.261 2.391 10 0 BEAERM CC(C)[C@@H]1C[C@H]([C@H](C)C(=O)[O-])CCO1 ZINC000251335571 362863610 /nfs/dbraw/zinc/86/36/10/362863610.db2.gz PECOZKRXQRBASD-AEJSXWLSSA-N -1 0 200.278 2.158 10 0 BEAERM CC[C@H]1CCC[C@@](C(=O)[O-])(C(=O)OC)CC1 ZINC000725245360 538000980 /nfs/dbraw/zinc/00/09/80/538000980.db2.gz UBCXJRGJJJAOLX-JOYOIKCWSA-N -1 0 228.288 2.221 10 0 BEAERM Cc1ccn(-c2ccc(C(=O)[O-])cc2F)n1 ZINC000052884563 179399682 /nfs/dbraw/zinc/39/96/82/179399682.db2.gz ZXBZOOMATTWUIM-UHFFFAOYSA-N -1 0 220.203 2.018 10 0 BEAERM Cc1ccn2c(c1)nc(C(C)C)c2C(=O)[O-] ZINC000062466960 179411395 /nfs/dbraw/zinc/41/13/95/179411395.db2.gz RNPIWHIJRXIOQB-UHFFFAOYSA-N -1 0 218.256 2.464 10 0 BEAERM CC(C)c1cccc2c1NC(=O)[C@@]21C[C@H]1C(=O)[O-] ZINC000725247056 538010761 /nfs/dbraw/zinc/01/07/61/538010761.db2.gz GFVFWCCTDJYCHN-HZMBPMFUSA-N -1 0 245.278 2.104 10 0 BEAERM Cc1cnccc1-c1nc(C(=O)[O-])cs1 ZINC000083350401 179688523 /nfs/dbraw/zinc/68/85/23/179688523.db2.gz WDCJBAJNRPYCRA-UHFFFAOYSA-N -1 0 220.253 2.212 10 0 BEAERM O=C([O-])c1cc(Cl)nc(C2CCC2)n1 ZINC000107252018 538019627 /nfs/dbraw/zinc/01/96/27/538019627.db2.gz UZFVZCQBMUVNNH-UHFFFAOYSA-N -1 0 212.636 2.096 10 0 BEAERM CC1=C(C(=O)[O-])CCC(=O)N1c1cccc(F)c1 ZINC000616575946 349094601 /nfs/dbraw/zinc/09/46/01/349094601.db2.gz JHALLTRFYSECAX-UHFFFAOYSA-N -1 0 249.241 2.311 10 0 BEAERM Nc1ccc([S-])c(OC(F)(F)F)c1 ZINC000616576039 349098443 /nfs/dbraw/zinc/09/84/43/349098443.db2.gz LNEVYYAJSLQPCT-UHFFFAOYSA-N -1 0 209.192 2.456 10 0 BEAERM CC1=C(C(=O)[O-])CCC(=O)N1c1ccccc1 ZINC000616577514 349115214 /nfs/dbraw/zinc/11/52/14/349115214.db2.gz YVCKXSCPLCYKTA-UHFFFAOYSA-N -1 0 231.251 2.172 10 0 BEAERM Cc1nc(-c2cccc(C(=O)[O-])n2)c(C)o1 ZINC000169794937 179866441 /nfs/dbraw/zinc/86/64/41/179866441.db2.gz FZGKJFKERRICOD-UHFFFAOYSA-N -1 0 218.212 2.052 10 0 BEAERM Cc1nc(Cl)c(C(=O)[O-])cc1Cl ZINC000034225583 179986321 /nfs/dbraw/zinc/98/63/21/179986321.db2.gz VGUJAYWJJRUFKB-UHFFFAOYSA-N -1 0 206.028 2.395 10 0 BEAERM Cc1nc(N(C)[C@H](C)C2CC2)sc1C(=O)[O-] ZINC000054968208 179998524 /nfs/dbraw/zinc/99/85/24/179998524.db2.gz TXFYLAXHRBTZOX-SSDOTTSWSA-N -1 0 240.328 2.384 10 0 BEAERM CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)[O-])CC1 ZINC000090396956 191022858 /nfs/dbraw/zinc/02/28/58/191022858.db2.gz SLMVRELWJHCNDQ-VIFPVBQESA-N -1 0 241.287 2.075 10 0 BEAERM O=C([O-])c1ccc(SC(F)(F)F)cn1 ZINC000091252883 191024908 /nfs/dbraw/zinc/02/49/08/191024908.db2.gz GSYJGMIPFFXORY-UHFFFAOYSA-N -1 0 223.175 2.392 10 0 BEAERM Cc1nc(=O)c2sc3ccccc3c2[n-]1 ZINC000021774805 180073439 /nfs/dbraw/zinc/07/34/39/180073439.db2.gz PREGKDOSQNHJSS-UHFFFAOYSA-N -1 0 216.265 2.446 10 0 BEAERM CCCN1N=C(C(=O)[O-])C[C@H]1c1ccccc1 ZINC000219884788 350145954 /nfs/dbraw/zinc/14/59/54/350145954.db2.gz ZQCSZBYTAWCJNU-LBPRGKRZSA-N -1 0 232.283 2.284 10 0 BEAERM Cc1nc2sc(C(=O)[O-])c(C)n2c1C ZINC000033419128 180116142 /nfs/dbraw/zinc/11/61/42/180116142.db2.gz LLDQUEPDNKIUPP-UHFFFAOYSA-N -1 0 210.258 2.019 10 0 BEAERM Cc1nc2onc(C3CC3)c2c(C)c1CC(=O)[O-] ZINC000019260541 180116343 /nfs/dbraw/zinc/11/63/43/180116343.db2.gz MRBLSZKTBGAKNB-UHFFFAOYSA-N -1 0 246.266 2.344 10 0 BEAERM Cc1nc(CNc2ccccc2C(=O)[O-])c[nH]1 ZINC000054821594 180159433 /nfs/dbraw/zinc/15/94/33/180159433.db2.gz PNHVKOIPPMZDRC-UHFFFAOYSA-N -1 0 231.255 2.028 10 0 BEAERM Cn1nccc1-c1oc(CC2CC2)cc1C(=O)[O-] ZINC000725257850 538069398 /nfs/dbraw/zinc/06/93/98/538069398.db2.gz YNYMRZZRMBEDBY-UHFFFAOYSA-N -1 0 246.266 2.331 10 0 BEAERM CCc1ccccc1C(F)(F)C(=O)[O-] ZINC000071610687 350231707 /nfs/dbraw/zinc/23/17/07/350231707.db2.gz LCCHLAIBSRVXNU-UHFFFAOYSA-N -1 0 200.184 2.425 10 0 BEAERM O=C(C=C([O-])c1ccccn1)C1CCC1 ZINC000725258380 538074117 /nfs/dbraw/zinc/07/41/17/538074117.db2.gz KJWYRXHKEMSUGL-UHFFFAOYSA-N -1 0 203.241 2.024 10 0 BEAERM Cc1cccc2c1C[C@@H](C(=O)[O-])[C@H](C(F)F)O2 ZINC000725260412 538082213 /nfs/dbraw/zinc/08/22/13/538082213.db2.gz QWGTZPXZVDPWBP-PSASIEDQSA-N -1 0 242.221 2.264 10 0 BEAERM CCOc1ccc2c(c1)C[C@H](C(=O)[O-])[C@@H](C)O2 ZINC000725260748 538083501 /nfs/dbraw/zinc/08/35/01/538083501.db2.gz VULAERCUOCEYOM-KCJUWKMLSA-N -1 0 236.267 2.110 10 0 BEAERM O=C([O-])c1cc(F)c(NC2CC2)c(F)c1 ZINC000063004101 350377753 /nfs/dbraw/zinc/37/77/53/350377753.db2.gz LQTAPOKLXAHURW-UHFFFAOYSA-N -1 0 213.183 2.237 10 0 BEAERM Cc1nn([C@H]2CCC[C@H]2C(=O)[O-])c(C)c1C ZINC000062758158 180393133 /nfs/dbraw/zinc/39/31/33/180393133.db2.gz PIQOTUUBBOLDRC-MNOVXSKESA-N -1 0 222.288 2.234 10 0 BEAERM CC[C@@H](C)NC(=O)C[C@H](C(=O)[O-])C1CCCC1 ZINC000725266950 538097313 /nfs/dbraw/zinc/09/73/13/538097313.db2.gz NMSMTFULGFVPLC-KOLCDFICSA-N -1 0 241.331 2.182 10 0 BEAERM O=C([O-])N1CCO[C@H](c2ccc(F)cc2)CC1 ZINC000616595465 350608435 /nfs/dbraw/zinc/60/84/35/350608435.db2.gz VLUJFGSOCADTEN-NSHDSACASA-N -1 0 239.246 2.267 10 0 BEAERM CC[C@H](C)NC(=O)C[C@@H](C(=O)[O-])C1CCCC1 ZINC000725266949 538097575 /nfs/dbraw/zinc/09/75/75/538097575.db2.gz NMSMTFULGFVPLC-GXSJLCMTSA-N -1 0 241.331 2.182 10 0 BEAERM CC[N@@H+]1CCOCC[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000616599213 350737706 /nfs/dbraw/zinc/73/77/06/350737706.db2.gz QFYGBOQXAIIRGP-CYBMUJFWSA-N -1 0 249.310 2.168 10 0 BEAERM COC(C)(C)c1nc2ccc(N)cc2cc1O ZINC000725267747 538099233 /nfs/dbraw/zinc/09/92/33/538099233.db2.gz VOHQPYQSIMCWJW-UHFFFAOYSA-N -1 0 232.283 2.404 10 0 BEAERM O=C([O-])N1CCC[C@H]1c1cnnc2ccccc21 ZINC000616607300 350800296 /nfs/dbraw/zinc/80/02/96/350800296.db2.gz QSZCPRQNQJDZIG-LBPRGKRZSA-N -1 0 243.266 2.445 10 0 BEAERM O=C([O-])N1CC[C@H](c2cccc3ccnnc32)C1 ZINC000616609769 350803822 /nfs/dbraw/zinc/80/38/22/350803822.db2.gz AIXFPHKHGCOLLV-JTQLQIEISA-N -1 0 243.266 2.097 10 0 BEAERM Cc1cc([C@H]2N[C@H](C(=O)[O-])CCS2)cs1 ZINC000306678367 350832522 /nfs/dbraw/zinc/83/25/22/350832522.db2.gz HQWXQDURFFYZLU-IUCAKERBSA-N -1 0 243.353 2.235 10 0 BEAERM O=C([O-])[C@H]1CSC(c2ccc(Cl)s2)=N1 ZINC000306683675 350840742 /nfs/dbraw/zinc/84/07/42/350840742.db2.gz WWBRBFDJFZIIGW-SCSAIBSYSA-N -1 0 247.728 2.348 10 0 BEAERM O=C([O-])N1CCCC[C@H]1OC(F)(F)F ZINC000616616836 350857725 /nfs/dbraw/zinc/85/77/25/350857725.db2.gz SRTWSCRGNUQCLU-RXMQYKEDSA-N -1 0 213.155 2.013 10 0 BEAERM COc1ncc([C@H]2CCC[C@H]2C(=O)[O-])s1 ZINC000306675196 350826684 /nfs/dbraw/zinc/82/66/84/350826684.db2.gz SBWLDAKVQAALNI-NKWVEPMBSA-N -1 0 227.285 2.120 10 0 BEAERM CCO[C@]1(C(=O)[O-])C[C@H](C)CC[C@H]1C ZINC000253147603 350919853 /nfs/dbraw/zinc/91/98/53/350919853.db2.gz XFQWOCUFXNYGRO-FXPVBKGRSA-N -1 0 200.278 2.302 10 0 BEAERM O=C([O-])N1CCC[C@H](c2cccc(CCO)c2)C1 ZINC000616618634 350920974 /nfs/dbraw/zinc/92/09/74/350920974.db2.gz GCNWKEYDYAMWIU-ZDUSSCGKSA-N -1 0 249.310 2.079 10 0 BEAERM O=C([O-])N1CCC[C@H](c2ccccc2CCO)C1 ZINC000616618903 350926130 /nfs/dbraw/zinc/92/61/30/350926130.db2.gz VOXMYAMCNOQSGB-LBPRGKRZSA-N -1 0 249.310 2.079 10 0 BEAERM CC(=O)N1CCC[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000616619236 350926600 /nfs/dbraw/zinc/92/66/00/350926600.db2.gz DCZXMCNWRMGMJI-LLVKDONJSA-N -1 0 247.294 2.111 10 0 BEAERM COc1cc(F)cc([O-])c1Br ZINC000215838305 350882052 /nfs/dbraw/zinc/88/20/52/350882052.db2.gz NYMLUUSOLNXNOE-UHFFFAOYSA-N -1 0 221.025 2.302 10 0 BEAERM CC[S@](=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000306806857 351058738 /nfs/dbraw/zinc/05/87/38/351058738.db2.gz LBOJAOOAVWGDEM-HNNXBMFYSA-N -1 0 247.703 2.134 10 0 BEAERM O=C([O-])N1CCC[C@@H](c2ccncc2)CC1 ZINC000616631034 351104503 /nfs/dbraw/zinc/10/45/03/351104503.db2.gz OSYIRPZEWOLDRK-SNVBAGLBSA-N -1 0 220.272 2.329 10 0 BEAERM O=C([O-])N1CCCCC[C@@H]1c1cocn1 ZINC000616622755 351085418 /nfs/dbraw/zinc/08/54/18/351085418.db2.gz QROZDYUUOWLMRJ-SECBINFHSA-N -1 0 210.233 2.270 10 0 BEAERM O=C([O-])N1CCCCC[C@@H]1c1cnoc1 ZINC000616622772 351087678 /nfs/dbraw/zinc/08/76/78/351087678.db2.gz RJZWWYGDGZIPCR-SECBINFHSA-N -1 0 210.233 2.270 10 0 BEAERM O=C([O-])N1CCCCC[C@H]1c1ncc[nH]1 ZINC000616623730 351090018 /nfs/dbraw/zinc/09/00/18/351090018.db2.gz QNZVWSSFOQQSPS-QMMMGPOBSA-N -1 0 209.249 2.005 10 0 BEAERM O=C([O-])N1CCCCC[C@H]1c1cnoc1 ZINC000616623758 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223.297 2.497 10 0 BEAERM O=C([O-])[C@@H](F)Oc1ccc(Cl)cc1F ZINC000306357736 359684298 /nfs/dbraw/zinc/68/42/98/359684298.db2.gz WFVYJAGXQCZFFE-ZETCQYMHSA-N -1 0 222.574 2.238 10 0 BEAERM CNc1cc(Br)c(C(=O)[O-])cc1F ZINC000306414964 359820265 /nfs/dbraw/zinc/82/02/65/359820265.db2.gz YPJFHKDRNATCLM-UHFFFAOYSA-N -1 0 248.051 2.328 10 0 BEAERM O=C([O-])c1cc(Cl)ccc1N1CCC1 ZINC000306420900 359865476 /nfs/dbraw/zinc/86/54/76/359865476.db2.gz GLIDUQILVPKVIO-UHFFFAOYSA-N -1 0 211.648 2.248 10 0 BEAERM CCOC(=O)c1ccc([S-])cc1F ZINC000138078864 359869701 /nfs/dbraw/zinc/86/97/01/359869701.db2.gz PQZJXIXRMWEHPZ-UHFFFAOYSA-N -1 0 200.234 2.291 10 0 BEAERM CC(C)(C(=O)[O-])c1ncccc1Br ZINC000306464175 360075905 /nfs/dbraw/zinc/07/59/05/360075905.db2.gz HXFHXGNQEXHIGL-UHFFFAOYSA-N -1 0 244.088 2.206 10 0 BEAERM CC1(C(=O)Nc2sccc2C(=O)[O-])CC1 ZINC000306468925 360084208 /nfs/dbraw/zinc/08/42/08/360084208.db2.gz OOQPNPWMALELLQ-UHFFFAOYSA-N -1 0 225.269 2.185 10 0 BEAERM CCc1cc(C2(C(=O)[O-])CCC2)ccn1 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OMSTVWXQVXIFBG-LDYMZIIASA-N -1 0 220.268 2.273 10 0 BEAERM Cc1ccsc1[C@@H]1N[C@H](C(=O)[O-])CCS1 ZINC000037737115 364565001 /nfs/dbraw/zinc/56/50/01/364565001.db2.gz BAGRZSUGLRLJFZ-IONNQARKSA-N -1 0 243.353 2.235 10 0 BEAERM Cc1ccc([C@H]2N[C@H](C(=O)[O-])CCS2)s1 ZINC000037737384 364563387 /nfs/dbraw/zinc/56/33/87/364563387.db2.gz NHTYKIGEQWMRQR-CBAPKCEASA-N -1 0 243.353 2.235 10 0 BEAERM CC[C@@]1(C(F)(F)F)CC[C@H](CC(=O)[O-])O1 ZINC000675056317 541462391 /nfs/dbraw/zinc/46/23/91/541462391.db2.gz HITWXOBXALJWMQ-SVRRBLITSA-N -1 0 226.194 2.351 10 0 BEAERM O=C([O-])c1ccnc(-c2ccccc2Cl)n1 ZINC000026505943 541499289 /nfs/dbraw/zinc/49/92/89/541499289.db2.gz HIEMEOBZRWAVEI-UHFFFAOYSA-N -1 0 234.642 2.495 10 0 BEAERM C[C@@H]1CC[C@]1(C(=O)[O-])c1ccc(N)cc1 ZINC000232274814 541503336 /nfs/dbraw/zinc/50/33/36/541503336.db2.gz XOVVYQGQZKAMDT-PRHODGIISA-N -1 0 205.257 2.021 10 0 BEAERM CCCOc1ccc2c(c1)OC[C@H]2C(=O)[O-] ZINC000685952002 541497365 /nfs/dbraw/zinc/49/73/65/541497365.db2.gz 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OINQIUJXFLWJTJ-UHFFFAOYSA-N -1 0 238.283 2.357 10 0 BEAERM O=C([O-])c1nccc2c(F)ccc(F)c21 ZINC000074172160 368380545 /nfs/dbraw/zinc/38/05/45/368380545.db2.gz UXCIFBODGMPIDR-UHFFFAOYSA-N -1 0 209.151 2.211 10 0 BEAERM O=C([O-])c1nccc2c(F)cc(F)cc21 ZINC000074172158 368381279 /nfs/dbraw/zinc/38/12/79/368381279.db2.gz AQZCKTQFDYPEME-UHFFFAOYSA-N -1 0 209.151 2.211 10 0 BEAERM O=C([O-])c1c[nH]cc(Cc2ccccc2)c1=O ZINC000115315206 368988414 /nfs/dbraw/zinc/98/84/14/368988414.db2.gz WRYSZAOFUVUHJM-UHFFFAOYSA-N -1 0 229.235 2.076 10 0 BEAERM O=C([O-])[C@@H]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000090615194 368989799 /nfs/dbraw/zinc/98/97/99/368989799.db2.gz UGXGXOIZHUXYBO-VXGBXAGGSA-N -1 0 248.278 2.231 10 0 BEAERM O=C1CCCCC1=C([O-])c1ccncc1 ZINC000105748046 369064941 /nfs/dbraw/zinc/06/49/41/369064941.db2.gz NSTCBWTUKABFFO-JTQLQIEISA-N -1 0 203.241 2.024 10 0 BEAERM Cc1c(Cl)ccc(F)c1CC(=O)[O-] ZINC000215130867 369096587 /nfs/dbraw/zinc/09/65/87/369096587.db2.gz YYMOMUXJYSVIQV-UHFFFAOYSA-N -1 0 202.612 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CCCc1nc(CCSC)ncc1C(=O)[O-] ZINC000669379068 537975987 /nfs/dbraw/zinc/97/59/87/537975987.db2.gz VOWPYTXVCIMLQN-UHFFFAOYSA-N -1 0 240.328 2.033 10 0 BEAERM O=C([O-])[C@]1(Cc2cncs2)CCCS1 ZINC000159812055 346431503 /nfs/dbraw/zinc/43/15/03/346431503.db2.gz GZCJGMRJOCSPRA-SECBINFHSA-N -1 0 229.326 2.036 10 0 BEAERM CC(=O)c1c(Br)cccc1C(=O)[O-] ZINC000149052890 346535529 /nfs/dbraw/zinc/53/55/29/346535529.db2.gz JOHZYNLMNSVRPN-UHFFFAOYSA-N -1 0 243.056 2.350 10 0 BEAERM Cc1cc([C@H](C)C(=O)[O-])ncc1Br ZINC000164048795 346588579 /nfs/dbraw/zinc/58/85/79/346588579.db2.gz BCIUMMJXNWFJME-LURJTMIESA-N -1 0 244.088 2.341 10 0 BEAERM Cc1cccc(NC[C@@H](C)C(=O)[O-])c1C ZINC000035758203 179146559 /nfs/dbraw/zinc/14/65/59/179146559.db2.gz UGOQHZALYSHVOZ-SECBINFHSA-N -1 0 207.273 2.436 10 0 BEAERM CC(C)Cc1ccc([C@@](C)(CO)C(=O)[O-])cc1 ZINC000169521906 346765043 /nfs/dbraw/zinc/76/50/43/346765043.db2.gz UXGKJPUBHCVJKF-CQSZACIVSA-N -1 0 236.311 2.220 10 0 BEAERM CCCC(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000019434732 168564690 /nfs/dbraw/zinc/56/46/90/168564690.db2.gz KTHZLUUJCIMBJP-UHFFFAOYSA-N -1 0 225.219 2.263 10 0 BEAERM Cc1cccc(OC[C@@H](C)C(=O)[O-])c1C ZINC000035753246 179171689 /nfs/dbraw/zinc/17/16/89/179171689.db2.gz AYHITIJKUCYFFH-SECBINFHSA-N -1 0 208.257 2.403 10 0 BEAERM CCCCN1C(=O)C[C@H](C(=O)[O-])c2ccccc21 ZINC000038869406 347169732 /nfs/dbraw/zinc/16/97/32/347169732.db2.gz VHDZJLPCMDYSRV-NSHDSACASA-N -1 0 247.294 2.392 10 0 BEAERM O=C([O-])[C@H]1c2ccccc2OCc2ncccc21 ZINC000038813675 347167463 /nfs/dbraw/zinc/16/74/63/347167463.db2.gz PZIDWHZNWWYYLL-CYBMUJFWSA-N -1 0 241.246 2.191 10 0 BEAERM O=C([O-])[C@@H]1c2ccccc2OCc2ncccc21 ZINC000038813676 347167520 /nfs/dbraw/zinc/16/75/20/347167520.db2.gz PZIDWHZNWWYYLL-ZDUSSCGKSA-N -1 0 241.246 2.191 10 0 BEAERM O=Cc1ccc(CCc2cccnc2)cc1O ZINC000039619583 347192637 /nfs/dbraw/zinc/19/26/37/347192637.db2.gz XQKWIQATMIKAEB-UHFFFAOYSA-N -1 0 227.263 2.385 10 0 BEAERM O=C([O-])[C@H]1SCC(=O)c2cc3c(cc21)CCC3 ZINC000039078720 347177881 /nfs/dbraw/zinc/17/78/81/347177881.db2.gz FXAQBBDUUKKTQE-LBPRGKRZSA-N -1 0 248.303 2.231 10 0 BEAERM Cc1n[n-]c(=N[C@@H](C)c2cccc(C)c2)o1 ZINC000336254302 179194743 /nfs/dbraw/zinc/19/47/43/179194743.db2.gz WSEQQCLOMOWJNA-VIFPVBQESA-N -1 0 217.272 2.281 10 0 BEAERM COC(=O)c1cc(Cl)ccc1[S-] ZINC000034619252 347299045 /nfs/dbraw/zinc/29/90/45/347299045.db2.gz VRBWQNKOHVYWTK-UHFFFAOYSA-N -1 0 202.662 2.415 10 0 BEAERM Cc1cccc([C@H](NCC(F)(F)F)C(=O)[O-])c1 ZINC000037973137 179201891 /nfs/dbraw/zinc/20/18/91/179201891.db2.gz FSTGGTNVLBGFIY-VIFPVBQESA-N -1 0 247.216 2.273 10 0 BEAERM Cc1cccc2oc(CCC(=O)[O-])nc21 ZINC000038052652 179232388 /nfs/dbraw/zinc/23/23/88/179232388.db2.gz ADWMJSYCCUSWHM-UHFFFAOYSA-N -1 0 205.213 2.153 10 0 BEAERM Cc1ccccc1-c1cnc(N)cc1C(=O)[O-] ZINC000065347043 179237230 /nfs/dbraw/zinc/23/72/30/179237230.db2.gz UXGXGNFUUKAYBR-UHFFFAOYSA-N -1 0 228.251 2.337 10 0 BEAERM Cc1nn(-c2ccccc2C)c(C)c1C(=O)[O-] ZINC000006770810 179242720 /nfs/dbraw/zinc/24/27/20/179242720.db2.gz QBWKJLWULGTVGK-UHFFFAOYSA-N -1 0 230.267 2.496 10 0 BEAERM C[C@H]1CC[C@@H](c2nc(C(=O)[O-])cs2)O1 ZINC000149807722 347521632 /nfs/dbraw/zinc/52/16/32/347521632.db2.gz USDGATPDPIMEGH-FSPLSTOPSA-N -1 0 213.258 2.081 10 0 BEAERM Cc1ccc(C(=O)[O-])c(C(F)(F)F)n1 ZINC000149951736 347573937 /nfs/dbraw/zinc/57/39/37/347573937.db2.gz YFWPDZNLFPGTCD-UHFFFAOYSA-N -1 0 205.135 2.107 10 0 BEAERM Cc1ccccc1CCc1nc(C(=O)[O-])co1 ZINC000051986627 179267316 /nfs/dbraw/zinc/26/73/16/179267316.db2.gz LOZGQOXXMMIXHF-UHFFFAOYSA-N -1 0 231.251 2.466 10 0 BEAERM Cc1ccccc1Cn1[n-]c(C(F)F)cc1=O ZINC000103887913 179276551 /nfs/dbraw/zinc/27/65/51/179276551.db2.gz JBWZUEYKTRCGOP-UHFFFAOYSA-N -1 0 238.237 2.348 10 0 BEAERM Cc1ccccc1N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000104323016 179305836 /nfs/dbraw/zinc/30/58/36/179305836.db2.gz GNIGMIFFVMSKKU-WCQYABFASA-N -1 0 249.310 2.287 10 0 BEAERM Cc1ccccc1N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000104323006 179306114 /nfs/dbraw/zinc/30/61/14/179306114.db2.gz GNIGMIFFVMSKKU-DGCLKSJQSA-N -1 0 249.310 2.287 10 0 BEAERM CCOC(=O)[C@@]1(C(=O)[O-])CCC[C@@H](CC)C1 ZINC000725243660 537993452 /nfs/dbraw/zinc/99/34/52/537993452.db2.gz BAGWALSBCVNPTF-SKDRFNHKSA-N -1 0 228.288 2.221 10 0 BEAERM CCOC(=O)[C@@]1(C(=O)[O-])CCC[C@H](CC)C1 ZINC000725243658 537994173 /nfs/dbraw/zinc/99/41/73/537994173.db2.gz BAGWALSBCVNPTF-CABZTGNLSA-N -1 0 228.288 2.221 10 0 BEAERM O=C([O-])C(F)(F)Oc1ccc(F)cc1F ZINC000036878332 347960973 /nfs/dbraw/zinc/96/09/73/347960973.db2.gz SCQZRTXQMKYTLW-UHFFFAOYSA-N -1 0 224.109 2.021 10 0 BEAERM Cc1ccc(OC(F)(F)C(=O)[O-])cc1 ZINC000036878341 347961339 /nfs/dbraw/zinc/96/13/39/347961339.db2.gz BLLJAXSTAOBXNP-UHFFFAOYSA-N -1 0 202.156 2.051 10 0 BEAERM CCOC(=O)[C@]1(C(=O)[O-])CC[C@H](C)[C@H](C)C1 ZINC000725243942 537996019 /nfs/dbraw/zinc/99/60/19/537996019.db2.gz LQNBFOBCSVRNEL-YGOYTEALSA-N -1 0 228.288 2.077 10 0 BEAERM CCOC(=O)[C@]1(C(=O)[O-])CC[C@@H](C)[C@@H](C)C1 ZINC000725243941 537996311 /nfs/dbraw/zinc/99/63/11/537996311.db2.gz LQNBFOBCSVRNEL-VDDIYKPWSA-N -1 0 228.288 2.077 10 0 BEAERM CCOC(=O)[C@@]1(C(=O)[O-])CCC[C@@H](C)CC1 ZINC000725244275 537996777 /nfs/dbraw/zinc/99/67/77/537996777.db2.gz QWOGCVRJKUNCKT-SKDRFNHKSA-N -1 0 228.288 2.221 10 0 BEAERM Cc1cccnc1-c1ncc(C(=O)[O-])s1 ZINC000043616234 179357067 /nfs/dbraw/zinc/35/70/67/179357067.db2.gz TZVTXTWDGONSSY-UHFFFAOYSA-N -1 0 220.253 2.212 10 0 BEAERM Cc1cccn2c1nc(C(C)C)c2C(=O)[O-] ZINC000062466961 179355485 /nfs/dbraw/zinc/35/54/85/179355485.db2.gz NKOUWXUZTNJNJD-UHFFFAOYSA-N -1 0 218.256 2.464 10 0 BEAERM O=C([O-])c1cc(-c2cn[nH]c2)ccc1Cl ZINC000725244776 537998947 /nfs/dbraw/zinc/99/89/47/537998947.db2.gz WVCXGINNCZGFDR-UHFFFAOYSA-N -1 0 222.631 2.428 10 0 BEAERM O=C([O-])c1c(F)cc(-c2cnco2)cc1F ZINC000223648697 348239095 /nfs/dbraw/zinc/23/90/95/348239095.db2.gz YAHFBWVABDSNBB-UHFFFAOYSA-N -1 0 225.150 2.318 10 0 BEAERM COC(=O)[C@]1(C(=O)[O-])CCC[C@@H](C(C)C)C1 ZINC000725245506 538000527 /nfs/dbraw/zinc/00/05/27/538000527.db2.gz UHQORJOOMIGQFJ-BXKDBHETSA-N -1 0 228.288 2.077 10 0 BEAERM C[C@@H]1CCC[C@@]2(CC(C(=O)[O-])=NO2)CC1 ZINC000725245173 538000898 /nfs/dbraw/zinc/00/08/98/538000898.db2.gz BAMJPTCHCIWJIM-KCJUWKMLSA-N -1 0 211.261 2.186 10 0 BEAERM O=C([O-])[C@H]1[C@H](C(F)F)OC[C@@H]1c1ccccc1 ZINC000725245759 538001884 /nfs/dbraw/zinc/00/18/84/538001884.db2.gz FYYPFDQJABCCRV-OPRDCNLKSA-N -1 0 242.221 2.135 10 0 BEAERM Cc1ccnc(Sc2ccc(C(=O)[O-])cn2)n1 ZINC000051330990 179464510 /nfs/dbraw/zinc/46/45/10/179464510.db2.gz JXXGHFCUZSKTGE-UHFFFAOYSA-N -1 0 247.279 2.029 10 0 BEAERM CC[C@@H]1OC[C@H](c2ccccc2)[C@H]1C(=O)[O-] ZINC000725246193 538005591 /nfs/dbraw/zinc/00/55/91/538005591.db2.gz LVCYEOCUVLZWHV-GRYCIOLGSA-N -1 0 220.268 2.280 10 0 BEAERM CC(C)c1ccc2c(c1)[C@@]1(C[C@@H]1C(=O)[O-])C(=O)N2 ZINC000725247222 538011267 /nfs/dbraw/zinc/01/12/67/538011267.db2.gz KXOKWASBWWDYOA-QMTHXVAHSA-N -1 0 245.278 2.104 10 0 BEAERM CC(C)c1cccc2c1NC(=O)[C@]21C[C@@H]1C(=O)[O-] ZINC000725247058 538012127 /nfs/dbraw/zinc/01/21/27/538012127.db2.gz GFVFWCCTDJYCHN-QMTHXVAHSA-N -1 0 245.278 2.104 10 0 BEAERM Cc1cnn([C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000062757848 179744942 /nfs/dbraw/zinc/74/49/42/179744942.db2.gz PKUMMGWLKDQRPK-VHSXEESVSA-N -1 0 208.261 2.007 10 0 BEAERM CC(C)[C@H](C(=O)[O-])n1ccc(C(F)(F)F)n1 ZINC000036915680 187414487 /nfs/dbraw/zinc/41/44/87/187414487.db2.gz LEVNIDPIIOTYHJ-SSDOTTSWSA-N -1 0 236.193 2.184 10 0 BEAERM O=Cc1cccc(CC(=O)[O-])c1OC(F)(F)F ZINC000616577215 349122562 /nfs/dbraw/zinc/12/25/62/349122562.db2.gz YESVKWJNPFVTHC-UHFFFAOYSA-N -1 0 248.156 2.025 10 0 BEAERM O=C([O-])c1ccc2c(c1C(F)(F)F)OCO2 ZINC000211607132 349276513 /nfs/dbraw/zinc/27/65/13/349276513.db2.gz VWHVPJIATQUXIU-UHFFFAOYSA-N -1 0 234.129 2.132 10 0 BEAERM Cc1nc(C(=O)[O-])c(C(=O)C(C)(C)C)s1 ZINC000073734409 179892203 /nfs/dbraw/zinc/89/22/03/179892203.db2.gz KQJBSKVJXHHGMI-UHFFFAOYSA-N -1 0 227.285 2.379 10 0 BEAERM Cc1nc(C(C)C)nc(OCCC(=O)[O-])c1C ZINC000045950593 179894912 /nfs/dbraw/zinc/89/49/12/179894912.db2.gz YLIDBZLRBGBMAB-UHFFFAOYSA-N -1 0 238.287 2.070 10 0 BEAERM Cc1nc(N)sc1S[C@H](C(=O)[O-])C(C)C ZINC000041049113 180000383 /nfs/dbraw/zinc/00/03/83/180000383.db2.gz FOMVNHVORLTNPM-LURJTMIESA-N -1 0 246.357 2.235 10 0 BEAERM Cc1nc(NC(C)(C)C)sc1CC(=O)[O-] ZINC000041249981 180016257 /nfs/dbraw/zinc/01/62/57/180016257.db2.gz YDVDBRQEPGLKQN-UHFFFAOYSA-N -1 0 228.317 2.289 10 0 BEAERM Cc1nn(C)c2nc(C)c([C@@H](C)C(=O)[O-])c(C)c12 ZINC000050289329 180068408 /nfs/dbraw/zinc/06/84/08/180068408.db2.gz DNJBQAWPJRFOLY-SSDOTTSWSA-N -1 0 247.298 2.082 10 0 BEAERM CCCCC(=O)N1c2ccccc2C[C@@H]1C(=O)[O-] ZINC000019965553 168617087 /nfs/dbraw/zinc/61/70/87/168617087.db2.gz GFGFVFQYZUDYNF-GFCCVEGCSA-N -1 0 247.294 2.219 10 0 BEAERM O=C(C=C([O-])c1cccnc1)C(F)(F)C(F)F ZINC000100316337 191062624 /nfs/dbraw/zinc/06/26/24/191062624.db2.gz HWBFIPXMSBIHKU-UHFFFAOYSA-N -1 0 249.163 2.124 10 0 BEAERM Cc1ncc(C[C@@H](C(=O)[O-])C(C)C)s1 ZINC000062337106 180161562 /nfs/dbraw/zinc/16/15/62/180161562.db2.gz LPWJAEAPJWAORX-SECBINFHSA-N -1 0 213.302 2.351 10 0 BEAERM CC(C)(C)c1ccc([C@@H](CO)C(=O)[O-])cc1 ZINC000221638679 350216233 /nfs/dbraw/zinc/21/62/33/350216233.db2.gz DLIZJBHHDJRLIM-LLVKDONJSA-N -1 0 222.284 2.145 10 0 BEAERM CC(C(=O)C1CC1)=C([O-])c1ccccc1 ZINC000083053882 538070437 /nfs/dbraw/zinc/07/04/37/538070437.db2.gz JJJRYNZELMNFMC-VIFPVBQESA-N -1 0 202.253 2.485 10 0 BEAERM Cc1csc(C([O-])=CC(=O)C2CCC2)n1 ZINC000725258359 538073965 /nfs/dbraw/zinc/07/39/65/538073965.db2.gz FULZECBWCPXYMV-UHFFFAOYSA-N -1 0 223.297 2.394 10 0 BEAERM CC(=O)CSc1ccc(C(=O)[O-])cc1 ZINC000075441988 187443844 /nfs/dbraw/zinc/44/38/44/187443844.db2.gz OHHCAVLKNMOJIX-UHFFFAOYSA-N -1 0 210.254 2.066 10 0 BEAERM C[C@H]1CCCN(c2cc(C(=O)[O-])ccn2)[C@H]1C ZINC000252211717 538085096 /nfs/dbraw/zinc/08/50/96/538085096.db2.gz WMXFNLJFXHRYJR-UWVGGRQHSA-N -1 0 234.299 2.405 10 0 BEAERM CC[C@@H]1Oc2c(C)cccc2C[C@H]1C(=O)[O-] ZINC000725260279 538082300 /nfs/dbraw/zinc/08/23/00/538082300.db2.gz PGEVIHHOPAHLHK-MNOVXSKESA-N -1 0 220.268 2.409 10 0 BEAERM Cc1cccc2c1C[C@H](C(=O)[O-])[C@@H](C(F)F)O2 ZINC000725260416 538082734 /nfs/dbraw/zinc/08/27/34/538082734.db2.gz QWGTZPXZVDPWBP-WPRPVWTQSA-N -1 0 242.221 2.264 10 0 BEAERM CC[C@H]1Oc2cccc(C)c2C[C@H]1C(=O)[O-] ZINC000725260841 538083442 /nfs/dbraw/zinc/08/34/42/538083442.db2.gz XPFJOGWKXITHNJ-GHMZBOCLSA-N -1 0 220.268 2.409 10 0 BEAERM CSc1ncc(C(=O)[O-])cc1Cl ZINC000038063446 350300931 /nfs/dbraw/zinc/30/09/31/350300931.db2.gz OUJCEVZWCQMIPU-UHFFFAOYSA-N -1 0 203.650 2.155 10 0 BEAERM COc1cc(F)c(/C=C/C(=O)[O-])cc1F ZINC000038194892 350311595 /nfs/dbraw/zinc/31/15/95/350311595.db2.gz NHOLXKCFPBKZFA-NSCUHMNNSA-N -1 0 214.167 2.071 10 0 BEAERM Cc1nn(C(C)(C)C)c(C)c1[C@@H](C)C(=O)[O-] ZINC000050288133 180332208 /nfs/dbraw/zinc/33/22/08/180332208.db2.gz RJKFLIPKECVHAT-SSDOTTSWSA-N -1 0 224.304 2.443 10 0 BEAERM Cc1nn(C2CCCC2)c(C)c1CC(=O)[O-] ZINC000040927457 180384637 /nfs/dbraw/zinc/38/46/37/180384637.db2.gz POJMVVPBASNKFP-UHFFFAOYSA-N -1 0 222.288 2.242 10 0 BEAERM C[C@H](c1ccccc1)c1cc(C(=O)[O-])ncn1 ZINC000409436476 350479146 /nfs/dbraw/zinc/47/91/46/350479146.db2.gz ABYCCNIRFZEXFE-SECBINFHSA-N -1 0 228.251 2.327 10 0 BEAERM O=C([O-])N1CCO[C@@H](c2ccccc2F)CC1 ZINC000616594521 350595423 /nfs/dbraw/zinc/59/54/23/350595423.db2.gz QIRZEFVNEIHWTQ-LLVKDONJSA-N -1 0 239.246 2.267 10 0 BEAERM CC(C)(C)NC(=O)C[C@H](C(=O)[O-])C1CCCC1 ZINC000725266965 538097300 /nfs/dbraw/zinc/09/73/00/538097300.db2.gz OGOXOZZYDMZCTC-JTQLQIEISA-N -1 0 241.331 2.182 10 0 BEAERM CC(C)N1c2ccccc2CC[C@@H]1C(=O)[O-] ZINC000616595530 350607369 /nfs/dbraw/zinc/60/73/69/350607369.db2.gz LYXOGZSJHPVDEN-GFCCVEGCSA-N -1 0 219.284 2.301 10 0 BEAERM CCNC(=O)C[C@H](C(=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC000725267170 538097682 /nfs/dbraw/zinc/09/76/82/538097682.db2.gz UHKUYIIULFTOFS-DCAQKATOSA-N -1 0 241.331 2.040 10 0 BEAERM CC(C)CN(CC(=O)[O-])C(=O)C[C@@H](C)C(C)C ZINC000236663056 350740380 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