smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000000365352 350187260 /nfs/dbraw/zinc/18/72/60/350187260.db2.gz AJRCYUNAAHBXLP-SSDOTTSWSA-N -1 3 227.691 3.030 20 0 BGADHM CC[C@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000000365353 350187680 /nfs/dbraw/zinc/18/76/80/350187680.db2.gz AJRCYUNAAHBXLP-ZETCQYMHSA-N -1 3 227.691 3.030 20 0 BGADHM O=C(Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000006578678 182347852 /nfs/dbraw/zinc/34/78/52/182347852.db2.gz XRVBCGDRMFFQRJ-UHFFFAOYSA-N -1 3 247.681 3.298 20 0 BGADHM O=C(CCC1CCCCC1)Nc1ncccc1[O-] ZINC000009694426 347052916 /nfs/dbraw/zinc/05/29/16/347052916.db2.gz LPELDPKGVKFELY-UHFFFAOYSA-N -1 3 248.326 3.086 20 0 BGADHM O=C(Nc1cccc(Cl)c1)c1cccc([O-])c1 ZINC000010151655 182367856 /nfs/dbraw/zinc/36/78/56/182367856.db2.gz SEZZEMCSDSHHTP-UHFFFAOYSA-N -1 3 247.681 3.298 20 0 BGADHM CSc1nnc([N-]c2ccccc2F)s1 ZINC000010316480 347079679 /nfs/dbraw/zinc/07/96/79/347079679.db2.gz ZKFIITZPOBNHJF-UHFFFAOYSA-N -1 3 241.316 3.143 20 0 BGADHM CCCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000011638442 342842309 /nfs/dbraw/zinc/84/23/09/342842309.db2.gz SMOXDGJFWVXIRG-UHFFFAOYSA-N -1 3 227.691 3.174 20 0 BGADHM CCCCCCC(=O)Nc1ccccc1[O-] ZINC000011638599 588906936 /nfs/dbraw/zinc/90/69/36/588906936.db2.gz VDMPMLFMRQZHED-UHFFFAOYSA-N -1 3 221.300 3.301 20 0 BGADHM Cc1ccc([O-])c(C(=O)Nc2ccc(F)cc2)c1 ZINC000012349408 342849586 /nfs/dbraw/zinc/84/95/86/342849586.db2.gz SFXOCLHNKGFOCP-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM CC(C)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000013560834 188016253 /nfs/dbraw/zinc/01/62/53/188016253.db2.gz QSEKMWKMVYYCSN-UHFFFAOYSA-N -1 3 247.216 3.006 20 0 BGADHM Cc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000016597767 346666121 /nfs/dbraw/zinc/66/61/21/346666121.db2.gz RPDJAEJTJMNSAS-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM Cc1ccc(NC(=O)CC(C)(C)C)c([O-])c1 ZINC000017410129 178723286 /nfs/dbraw/zinc/72/32/86/178723286.db2.gz CFBZKEOUTNVIPU-UHFFFAOYSA-N -1 3 221.300 3.075 20 0 BGADHM Cc1cccc(NC(=O)c2cccc(C)c2[O-])c1 ZINC000019836802 385114932 /nfs/dbraw/zinc/11/49/32/385114932.db2.gz WRQHTAPYFBAZGH-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM Cc1cccc(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000019836804 187253050 /nfs/dbraw/zinc/25/30/50/187253050.db2.gz CADKEOVZVXNCFO-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM O=C(NC1CCCCCCC1)c1cccc([O-])c1 ZINC000019838507 182115475 /nfs/dbraw/zinc/11/54/75/182115475.db2.gz PXJKFFZHXSTAAW-UHFFFAOYSA-N -1 3 247.338 3.235 20 0 BGADHM Cc1ccc([O-])c(C(=O)N(C)C2CCCCC2)c1 ZINC000019839332 342959331 /nfs/dbraw/zinc/95/93/31/342959331.db2.gz LXKDGNCSRZVDLB-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1cccc(C(=O)N(C)C2CCCCC2)c1[O-] ZINC000019839342 179004251 /nfs/dbraw/zinc/00/42/51/179004251.db2.gz BCBHRQYIBICLCE-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1ccc(C(=O)N(C)C2CCCCC2)c([O-])c1 ZINC000019839344 178374738 /nfs/dbraw/zinc/37/47/38/178374738.db2.gz HJVGXIXIIDWOIW-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM CCN(C(=O)c1cccc([O-])c1)c1ccccc1 ZINC000019839391 342959395 /nfs/dbraw/zinc/95/93/95/342959395.db2.gz RDTYVQNKKKYEOU-UHFFFAOYSA-N -1 3 241.290 3.059 20 0 BGADHM Cc1ccc(NC(=O)c2cccc([O-])c2)cc1C ZINC000019839411 347294542 /nfs/dbraw/zinc/29/45/42/347294542.db2.gz SDODJBQDOZUZHO-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM CCN(C(=O)c1ccccc1[O-])C1CCCCC1 ZINC000019839466 342959554 /nfs/dbraw/zinc/95/95/54/342959554.db2.gz IEISKSBTOHMEQC-UHFFFAOYSA-N -1 3 247.338 3.187 20 0 BGADHM CCN(C(=O)c1cccc([O-])c1)C1CCCCC1 ZINC000019839468 169658674 /nfs/dbraw/zinc/65/86/74/169658674.db2.gz KDVMOWGZADBORK-UHFFFAOYSA-N -1 3 247.338 3.187 20 0 BGADHM Cc1ccc([O-])c(C(=O)Nc2cccc(F)c2)c1 ZINC000019839503 342959578 /nfs/dbraw/zinc/95/95/78/342959578.db2.gz YYBBGHWSOOEDKF-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1cccc(C(=O)Nc2cccc(F)c2)c1[O-] ZINC000019839509 188281383 /nfs/dbraw/zinc/28/13/83/188281383.db2.gz GUOOQZMZVVFJKT-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1ccc(C(=O)Nc2cccc(F)c2)c([O-])c1 ZINC000019839511 384546591 /nfs/dbraw/zinc/54/65/91/384546591.db2.gz GDFNRQKQFJWQJG-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1cccc(C(=O)Nc2ccc(F)cc2)c1[O-] ZINC000019839549 259384172 /nfs/dbraw/zinc/38/41/72/259384172.db2.gz HUXBJWXXWAQQLX-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1ccc(C(=O)Nc2ccc(F)cc2)c([O-])c1 ZINC000019839551 384543797 /nfs/dbraw/zinc/54/37/97/384543797.db2.gz HDPUBNMJMVDMBW-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2F)c1 ZINC000019839614 347294496 /nfs/dbraw/zinc/29/44/96/347294496.db2.gz HEYZPIIISNVGKJ-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1cccc(C(=O)Nc2ccccc2F)c1[O-] ZINC000019839623 259383945 /nfs/dbraw/zinc/38/39/45/259383945.db2.gz MDOFWBHAZWOULI-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1ccc(C(=O)Nc2ccccc2F)c([O-])c1 ZINC000019839625 385113012 /nfs/dbraw/zinc/11/30/12/385113012.db2.gz WVQNPDCEULQYIW-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2C)c1[O-] ZINC000019839678 179024545 /nfs/dbraw/zinc/02/45/45/179024545.db2.gz XDCVRHDEZKOKEH-MFKMUULPSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2C)c1[O-] ZINC000019839680 179024541 /nfs/dbraw/zinc/02/45/41/179024541.db2.gz XDCVRHDEZKOKEH-GWCFXTLKSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2C)c1[O-] ZINC000019839682 179021610 /nfs/dbraw/zinc/02/16/10/179021610.db2.gz XDCVRHDEZKOKEH-ZWNOBZJWSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C)c1[O-] ZINC000019839684 179020812 /nfs/dbraw/zinc/02/08/12/179020812.db2.gz XDCVRHDEZKOKEH-GXFFZTMASA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C)cc(NC(=O)c2cccc([O-])c2)c1 ZINC000019839805 347294787 /nfs/dbraw/zinc/29/47/87/347294787.db2.gz HYCKPEYWDJVJOW-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM Cc1ccc(F)cc1NC(=O)c1cccc([O-])c1 ZINC000019839817 387861078 /nfs/dbraw/zinc/86/10/78/387861078.db2.gz VWRUBJIHEYGZDE-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1ccc([O-])c(C(=O)N2[C@H](C)CCC[C@H]2C)c1 ZINC000019839903 342959365 /nfs/dbraw/zinc/95/93/65/342959365.db2.gz FJOIRMAKWQEOLW-VXGBXAGGSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1ccc([O-])c(C(=O)N2[C@H](C)CCC[C@@H]2C)c1 ZINC000019839905 342959567 /nfs/dbraw/zinc/95/95/67/342959567.db2.gz FJOIRMAKWQEOLW-TXEJJXNPSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1ccc([O-])c(C(=O)N2[C@@H](C)CCC[C@@H]2C)c1 ZINC000019839908 342959621 /nfs/dbraw/zinc/95/96/21/342959621.db2.gz FJOIRMAKWQEOLW-RYUDHWBXSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1cccc(C(=O)N2[C@H](C)CCC[C@H]2C)c1[O-] ZINC000019839935 179013831 /nfs/dbraw/zinc/01/38/31/179013831.db2.gz LYCZNVRVIXBGPJ-VXGBXAGGSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1cccc(C(=O)N2[C@H](C)CCC[C@@H]2C)c1[O-] ZINC000019839937 179013477 /nfs/dbraw/zinc/01/34/77/179013477.db2.gz LYCZNVRVIXBGPJ-TXEJJXNPSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1cccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c1[O-] ZINC000019839940 179013239 /nfs/dbraw/zinc/01/32/39/179013239.db2.gz LYCZNVRVIXBGPJ-RYUDHWBXSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)c([O-])c1 ZINC000019839942 384546388 /nfs/dbraw/zinc/54/63/88/384546388.db2.gz BMPRQKMVEXIYHD-VXGBXAGGSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)c([O-])c1 ZINC000019839944 342959482 /nfs/dbraw/zinc/95/94/82/342959482.db2.gz BMPRQKMVEXIYHD-TXEJJXNPSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c([O-])c1 ZINC000019839947 342959623 /nfs/dbraw/zinc/95/96/23/342959623.db2.gz BMPRQKMVEXIYHD-RYUDHWBXSA-N -1 3 247.338 3.104 20 0 BGADHM CCc1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000019839963 385114020 /nfs/dbraw/zinc/11/40/20/385114020.db2.gz PMDSKWWMSBLLSI-UHFFFAOYSA-N -1 3 241.290 3.207 20 0 BGADHM Cc1ccc(NC(=O)c2cccc([O-])c2)cc1F ZINC000019839975 178752558 /nfs/dbraw/zinc/75/25/58/178752558.db2.gz LSJISKDECPZIID-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM CCc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000019839987 387216469 /nfs/dbraw/zinc/21/64/69/387216469.db2.gz KJVNYWKSUNGLKE-UHFFFAOYSA-N -1 3 241.290 3.207 20 0 BGADHM Cc1cc(F)ccc1NC(=O)c1cccc([O-])c1 ZINC000019840166 178089195 /nfs/dbraw/zinc/08/91/95/178089195.db2.gz BBCBTOBDDYTUFP-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1cccc(C)c1NC(=O)c1cccc([O-])c1 ZINC000019840202 179041854 /nfs/dbraw/zinc/04/18/54/179041854.db2.gz LVNQMHWDRLUBFK-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM CCc1cccc(NC(=O)c2cccc([O-])c2)c1 ZINC000019840221 385116784 /nfs/dbraw/zinc/11/67/84/385116784.db2.gz SIYMIMOGFSXBNO-UHFFFAOYSA-N -1 3 241.290 3.207 20 0 BGADHM Cc1ccc(NC(=O)c2cccc(C)c2[O-])cc1 ZINC000019840441 347293976 /nfs/dbraw/zinc/29/39/76/347293976.db2.gz GKQJBYJNKXLMSF-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM Cc1ccc(NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000019840442 347293778 /nfs/dbraw/zinc/29/37/78/347293778.db2.gz RQABWRMPSFQPTI-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM Cc1ccc([O-])c(C(=O)Nc2ccccc2C)c1 ZINC000019840503 347294150 /nfs/dbraw/zinc/29/41/50/347294150.db2.gz PLMZXVSYEHZKFN-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM Cc1ccccc1NC(=O)c1cccc(C)c1[O-] ZINC000019840512 179302834 /nfs/dbraw/zinc/30/28/34/179302834.db2.gz KCYRHZMXIULSOK-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM Cc1ccc(C(=O)Nc2ccccc2C)c([O-])c1 ZINC000019840514 385114081 /nfs/dbraw/zinc/11/40/81/385114081.db2.gz FNLIRYMJOKMTIL-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM Cc1ccc(C(=O)N2CCCCCCC2)c([O-])c1 ZINC000020266257 178386475 /nfs/dbraw/zinc/38/64/75/178386475.db2.gz MTGOLUFSLLAMCN-UHFFFAOYSA-N -1 3 247.338 3.107 20 0 BGADHM Cc1cccc(C(=O)N2CCCCCCC2)c1[O-] ZINC000020266259 179007054 /nfs/dbraw/zinc/00/70/54/179007054.db2.gz GEAQTERTPYFSSO-UHFFFAOYSA-N -1 3 247.338 3.107 20 0 BGADHM CCCCN(CCCC)C(=O)c1cccc([O-])c1 ZINC000020304320 387087348 /nfs/dbraw/zinc/08/73/48/387087348.db2.gz QXCGVECDXKLDFM-UHFFFAOYSA-N -1 3 249.354 3.435 20 0 BGADHM Cc1ccc(NC(=O)c2cccc([O-])c2)c(F)c1 ZINC000020361597 347401145 /nfs/dbraw/zinc/40/11/45/347401145.db2.gz MFXVKPFXFLLNLG-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1ccc(F)c(NC(=O)c2cccc([O-])c2)c1 ZINC000020361598 259395280 /nfs/dbraw/zinc/39/52/80/259395280.db2.gz YVAOVEZQDJUXFM-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM CCCCCc1nc(-c2ccc([O-])cc2)no1 ZINC000020481597 259398574 /nfs/dbraw/zinc/39/85/74/259398574.db2.gz ATXJEKOGEBIPLI-UHFFFAOYSA-N -1 3 232.283 3.175 20 0 BGADHM Cc1ccsc1C(=O)Nc1ccccc1[O-] ZINC000022024230 350067889 /nfs/dbraw/zinc/06/78/89/350067889.db2.gz HILCWNWZNOALLX-UHFFFAOYSA-N -1 3 233.292 3.014 20 0 BGADHM [O-]c1ccccc1-c1nc(C2CCCCC2)no1 ZINC000022120031 183299339 /nfs/dbraw/zinc/29/93/39/183299339.db2.gz PCXCVAZEYODJED-UHFFFAOYSA-N -1 3 244.294 3.490 20 0 BGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)CCC(C)C)c1 ZINC000025348467 387343250 /nfs/dbraw/zinc/34/32/50/387343250.db2.gz LSTHMIKWEYFKCM-GFCCVEGCSA-N -1 3 249.354 3.255 20 0 BGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)CCC(C)C)c1 ZINC000025348470 387343403 /nfs/dbraw/zinc/34/34/03/387343403.db2.gz LSTHMIKWEYFKCM-LBPRGKRZSA-N -1 3 249.354 3.255 20 0 BGADHM Cc1ccc(C(=O)NCC2CCCCC2)c([O-])c1 ZINC000027623184 384799835 /nfs/dbraw/zinc/79/98/35/384799835.db2.gz LYFIMLYLEHYHAX-UHFFFAOYSA-N -1 3 247.338 3.011 20 0 BGADHM Cc1ccc(F)cc1C(=O)Nc1ccccc1[O-] ZINC000029769675 368245008 /nfs/dbraw/zinc/24/50/08/368245008.db2.gz HFRFGNMYJLEYSQ-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM O=C(NCCC1CCCCC1)c1ccccc1[O-] ZINC000030001350 387463190 /nfs/dbraw/zinc/46/31/90/387463190.db2.gz WSTSOMWQKVLRST-UHFFFAOYSA-N -1 3 247.338 3.092 20 0 BGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](C)C2)c1 ZINC000030016556 356410057 /nfs/dbraw/zinc/41/00/57/356410057.db2.gz YAAVKNFTZSYECQ-ZYHUDNBSSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H](C)C2)c1 ZINC000030016557 356410087 /nfs/dbraw/zinc/41/00/87/356410087.db2.gz YAAVKNFTZSYECQ-CMPLNLGQSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H](C)C2)c1 ZINC000030016558 356410109 /nfs/dbraw/zinc/41/01/09/356410109.db2.gz YAAVKNFTZSYECQ-PWSUYJOCSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H](C)C2)c1 ZINC000030016559 356410145 /nfs/dbraw/zinc/41/01/45/356410145.db2.gz YAAVKNFTZSYECQ-JQWIXIFHSA-N -1 3 247.338 3.009 20 0 BGADHM O=C(NCCCC1CCCC1)c1ccccc1[O-] ZINC000031145769 386733094 /nfs/dbraw/zinc/73/30/94/386733094.db2.gz BPTFLMFXCXOQPB-UHFFFAOYSA-N -1 3 247.338 3.092 20 0 BGADHM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000031376039 386768873 /nfs/dbraw/zinc/76/88/73/386768873.db2.gz GJZRREPUFKTJEL-ZYHUDNBSSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000031376043 386768240 /nfs/dbraw/zinc/76/82/40/386768240.db2.gz GJZRREPUFKTJEL-CMPLNLGQSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000031376047 262805122 /nfs/dbraw/zinc/80/51/22/262805122.db2.gz GJZRREPUFKTJEL-PWSUYJOCSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc(C(=O)N[C@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000031376051 386769304 /nfs/dbraw/zinc/76/93/04/386769304.db2.gz GJZRREPUFKTJEL-JQWIXIFHSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc(C(=O)NCCC2CCCC2)c([O-])c1 ZINC000031419316 386772282 /nfs/dbraw/zinc/77/22/82/386772282.db2.gz XWAPSUSDMWEHGM-UHFFFAOYSA-N -1 3 247.338 3.011 20 0 BGADHM Cc1ccc([O-])c(C(=O)NCCC2CCCC2)c1 ZINC000031934410 387506899 /nfs/dbraw/zinc/50/68/99/387506899.db2.gz QVFCGTDWRXDVMQ-UHFFFAOYSA-N -1 3 247.338 3.011 20 0 BGADHM CCCCCC[C@@H](C)[N-]C(=O)C(F)(F)F ZINC000032167530 643414167 /nfs/dbraw/zinc/41/41/67/643414167.db2.gz PCWNWQNPOLREHV-MRVPVSSYSA-N -1 3 225.254 3.024 20 0 BGADHM CCCCCC[C@H](C)[N-]C(=O)C(F)(F)F ZINC000032167533 641757352 /nfs/dbraw/zinc/75/73/52/641757352.db2.gz PCWNWQNPOLREHV-QMMMGPOBSA-N -1 3 225.254 3.024 20 0 BGADHM O=C(/C=C\c1ccccc1)Nc1ccccc1[O-] ZINC000033286891 386032535 /nfs/dbraw/zinc/03/25/35/386032535.db2.gz CYJJBQPBDGQQFZ-KHPPLWFESA-N -1 3 239.274 3.044 20 0 BGADHM Cc1oc2ncnc([N-]c3nccs3)c2c1C ZINC000033588651 386857635 /nfs/dbraw/zinc/85/76/35/386857635.db2.gz UOQVOCSTUGMVDR-UHFFFAOYSA-N -1 3 246.295 3.040 20 0 BGADHM CC(C)(C)C(=O)Nc1ccc([O-])cc1Cl ZINC000034090753 346196926 /nfs/dbraw/zinc/19/69/26/346196926.db2.gz AOTVFPGINKQSKR-UHFFFAOYSA-N -1 3 227.691 3.030 20 0 BGADHM Cc1ccc([O-])c(-c2nc(-c3ccoc3)no2)c1 ZINC000034818257 386528130 /nfs/dbraw/zinc/52/81/30/386528130.db2.gz IDFXFOAUEWZYPO-UHFFFAOYSA-N -1 3 242.234 3.011 20 0 BGADHM [O-]c1ccc(-c2noc(-c3ccccc3)n2)cc1 ZINC000034938096 183266086 /nfs/dbraw/zinc/26/60/86/183266086.db2.gz HPGXCZMZBWOELL-UHFFFAOYSA-N -1 3 238.246 3.109 20 0 BGADHM CC(C)CCc1nc(-c2ccc([O-])cc2)no1 ZINC000034956029 351362116 /nfs/dbraw/zinc/36/21/16/351362116.db2.gz DRTWAWOPMIDOPN-UHFFFAOYSA-N -1 3 232.283 3.031 20 0 BGADHM Cc1ccc(-c2nc(-c3ccc([O-])cc3)no2)o1 ZINC000034956033 323206118 /nfs/dbraw/zinc/20/61/18/323206118.db2.gz KPOKHZKRQZHGJC-UHFFFAOYSA-N -1 3 242.234 3.011 20 0 BGADHM CCC[C@@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000034956034 169374542 /nfs/dbraw/zinc/37/45/42/169374542.db2.gz NOFKLLUJTOBMML-SECBINFHSA-N -1 3 232.283 3.346 20 0 BGADHM CCC[C@H](C)c1nc(-c2ccc([O-])cc2)no1 ZINC000034956036 398123045 /nfs/dbraw/zinc/12/30/45/398123045.db2.gz NOFKLLUJTOBMML-VIFPVBQESA-N -1 3 232.283 3.346 20 0 BGADHM Cc1ccoc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000034956065 351361947 /nfs/dbraw/zinc/36/19/47/351361947.db2.gz KBQXCOXPFVGQOB-UHFFFAOYSA-N -1 3 242.234 3.011 20 0 BGADHM Cc1occc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000034956073 351361769 /nfs/dbraw/zinc/36/17/69/351361769.db2.gz RROFFDOZDJORHK-UHFFFAOYSA-N -1 3 242.234 3.011 20 0 BGADHM [O-]c1ccc(-c2noc(-c3ccsc3)n2)cc1 ZINC000034956075 183265739 /nfs/dbraw/zinc/26/57/39/183265739.db2.gz DSZZQMUEFXZMHY-UHFFFAOYSA-N -1 3 244.275 3.171 20 0 BGADHM [O-]c1ccc(-c2noc(C3CCCCC3)n2)cc1 ZINC000034956086 183265754 /nfs/dbraw/zinc/26/57/54/183265754.db2.gz IHRGEIYDSLOIOI-UHFFFAOYSA-N -1 3 244.294 3.490 20 0 BGADHM [O-]c1ccc(-c2noc(-c3cccs3)n2)cc1 ZINC000034956095 183266065 /nfs/dbraw/zinc/26/60/65/183266065.db2.gz UWBZKATZJOETSD-UHFFFAOYSA-N -1 3 244.275 3.171 20 0 BGADHM [O-]c1ccc(-c2noc(C3CCCC3)n2)cc1 ZINC000034956111 183265737 /nfs/dbraw/zinc/26/57/37/183265737.db2.gz BTMCKOVSADSYBU-UHFFFAOYSA-N -1 3 230.267 3.100 20 0 BGADHM CC(C)(C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000034956129 351362221 /nfs/dbraw/zinc/36/22/21/351362221.db2.gz WGHVIBYLKMJJRA-UHFFFAOYSA-N -1 3 232.283 3.031 20 0 BGADHM CCC(CC)c1nc(-c2ccc([O-])cc2)no1 ZINC000034956139 398122844 /nfs/dbraw/zinc/12/28/44/398122844.db2.gz YRHZPXVSDCETGG-UHFFFAOYSA-N -1 3 232.283 3.346 20 0 BGADHM CN(C(=O)c1ccccc1[O-])C1CCCCCC1 ZINC000035175476 172343732 /nfs/dbraw/zinc/34/37/32/172343732.db2.gz OANOPINQCJCVRU-UHFFFAOYSA-N -1 3 247.338 3.187 20 0 BGADHM CCN(C(=O)c1cccc(C)c1[O-])C1CCCC1 ZINC000035208225 358455744 /nfs/dbraw/zinc/45/57/44/358455744.db2.gz XPOPLDSNTASAMZ-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM CCN(C(=O)c1ccc(C)cc1[O-])C1CCCC1 ZINC000035208232 343290258 /nfs/dbraw/zinc/29/02/58/343290258.db2.gz RJRYCJZSNPBFJN-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM CCN(C(=O)c1cc(C)ccc1[O-])C1CCCC1 ZINC000035208237 343290135 /nfs/dbraw/zinc/29/01/35/343290135.db2.gz KEIMVSXIVBFXGI-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM CCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000035904878 170293657 /nfs/dbraw/zinc/29/36/57/170293657.db2.gz IQXHZVYDWBMTFS-UHFFFAOYSA-N -1 3 229.688 3.060 20 0 BGADHM [O-]c1ccccc1-c1nc2c(s1)CCC2 ZINC000036155374 183300381 /nfs/dbraw/zinc/30/03/81/183300381.db2.gz RAXVNASGAPJHKO-UHFFFAOYSA-N -1 3 217.293 3.004 20 0 BGADHM [O-]c1ccccc1-c1nc2c(s1)CCCC2 ZINC000036155377 183299923 /nfs/dbraw/zinc/29/99/23/183299923.db2.gz NCRZOOSPCJFAQK-UHFFFAOYSA-N -1 3 231.320 3.395 20 0 BGADHM CN(C(=O)c1cccc([O-])c1)C1CCCCCC1 ZINC000036328914 172341962 /nfs/dbraw/zinc/34/19/62/172341962.db2.gz OJGLZOGOAIOTIR-UHFFFAOYSA-N -1 3 247.338 3.187 20 0 BGADHM CC[C@@H]1CCCCN1C(=O)c1cc(C)ccc1[O-] ZINC000037022702 363854704 /nfs/dbraw/zinc/85/47/04/363854704.db2.gz YWRCRMKPUTWFCD-GFCCVEGCSA-N -1 3 247.338 3.105 20 0 BGADHM CC[C@H]1CCCCN1C(=O)c1cc(C)ccc1[O-] ZINC000037022703 363854658 /nfs/dbraw/zinc/85/46/58/363854658.db2.gz YWRCRMKPUTWFCD-LBPRGKRZSA-N -1 3 247.338 3.105 20 0 BGADHM CC[C@@H]1CCCCN1C(=O)c1cccc(C)c1[O-] ZINC000037022716 388583032 /nfs/dbraw/zinc/58/30/32/388583032.db2.gz VAVFPFQSKWUDID-GFCCVEGCSA-N -1 3 247.338 3.105 20 0 BGADHM CC[C@H]1CCCCN1C(=O)c1cccc(C)c1[O-] ZINC000037022717 323151604 /nfs/dbraw/zinc/15/16/04/323151604.db2.gz VAVFPFQSKWUDID-LBPRGKRZSA-N -1 3 247.338 3.105 20 0 BGADHM CC[C@@H]1CCCCN1C(=O)c1ccc(C)cc1[O-] ZINC000037022720 343331264 /nfs/dbraw/zinc/33/12/64/343331264.db2.gz YCQRUXHDBFMJNA-GFCCVEGCSA-N -1 3 247.338 3.105 20 0 BGADHM CC[C@H]1CCCCN1C(=O)c1ccc(C)cc1[O-] ZINC000037022721 343331171 /nfs/dbraw/zinc/33/11/71/343331171.db2.gz YCQRUXHDBFMJNA-LBPRGKRZSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1cccc(C(=O)NCC2CCCCC2)c1[O-] ZINC000037247659 388611532 /nfs/dbraw/zinc/61/15/32/388611532.db2.gz RNTUFUMHXRBDAU-UHFFFAOYSA-N -1 3 247.338 3.011 20 0 BGADHM Cc1ccc([O-])c(C(=O)NCC2CCCCC2)c1 ZINC000037247667 388611492 /nfs/dbraw/zinc/61/14/92/388611492.db2.gz HDBPXYBHRHTMGX-UHFFFAOYSA-N -1 3 247.338 3.011 20 0 BGADHM Cc1cccc(C(=O)N[C@@H]2CCC[C@H](C)C2)c1[O-] ZINC000037251184 388613143 /nfs/dbraw/zinc/61/31/43/388613143.db2.gz YOCYHFOBDXBPOX-CMPLNLGQSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc(C(=O)N[C@H]2CCC[C@H](C)C2)c1[O-] ZINC000037251186 324484626 /nfs/dbraw/zinc/48/46/26/324484626.db2.gz YOCYHFOBDXBPOX-JQWIXIFHSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)c1[O-] ZINC000037251188 388613257 /nfs/dbraw/zinc/61/32/57/388613257.db2.gz YOCYHFOBDXBPOX-ZYHUDNBSSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc(C(=O)N[C@H]2CCC[C@@H](C)C2)c1[O-] ZINC000037251190 324484321 /nfs/dbraw/zinc/48/43/21/324484321.db2.gz YOCYHFOBDXBPOX-PWSUYJOCSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc(C(=O)NC2CCCCCC2)c1[O-] ZINC000037388128 179015066 /nfs/dbraw/zinc/01/50/66/179015066.db2.gz JEBANCQFZAXVKZ-UHFFFAOYSA-N -1 3 247.338 3.153 20 0 BGADHM Cc1cccc(C(=O)NCCC2CCCC2)c1[O-] ZINC000037492395 323285892 /nfs/dbraw/zinc/28/58/92/323285892.db2.gz NIIANRAWEVNJJM-UHFFFAOYSA-N -1 3 247.338 3.011 20 0 BGADHM [O-]c1ccc(-c2noc(CC3CCCC3)n2)cc1 ZINC000037513156 183266173 /nfs/dbraw/zinc/26/61/73/183266173.db2.gz VCOSLMQJSPOYSQ-UHFFFAOYSA-N -1 3 244.294 3.175 20 0 BGADHM O=C(NCCC1CCCCC1)c1cccc([O-])c1 ZINC000037742178 182158631 /nfs/dbraw/zinc/15/86/31/182158631.db2.gz FZONVNMIRXVCFW-UHFFFAOYSA-N -1 3 247.338 3.092 20 0 BGADHM CC1(C(=O)Nc2ccccc2[O-])CCCCC1 ZINC000039120837 358221054 /nfs/dbraw/zinc/22/10/54/358221054.db2.gz DVAVIURGDNUWSH-UHFFFAOYSA-N -1 3 233.311 3.301 20 0 BGADHM CC(C)CO[N-]C(=O)Nc1ccccc1Cl ZINC000039793153 343392739 /nfs/dbraw/zinc/39/27/39/343392739.db2.gz NMRBLGICVYGVNJ-UHFFFAOYSA-N -1 3 242.706 3.049 20 0 BGADHM Cc1ccc(NC(=O)CCC(C)C)c([O-])c1 ZINC000040413261 343401950 /nfs/dbraw/zinc/40/19/50/343401950.db2.gz VNDZJZHKEGLVSQ-UHFFFAOYSA-N -1 3 221.300 3.075 20 0 BGADHM Cc1ccc(C(=O)Nc2ccc(C)cc2[O-])s1 ZINC000040413288 358489923 /nfs/dbraw/zinc/48/99/23/358489923.db2.gz QRYVTZITHSQPFN-UHFFFAOYSA-N -1 3 247.319 3.323 20 0 BGADHM Cc1ccc(NC(=O)c2cccs2)c([O-])c1 ZINC000040413309 358490058 /nfs/dbraw/zinc/49/00/58/358490058.db2.gz ANHWVXYQZFOMOH-UHFFFAOYSA-N -1 3 233.292 3.014 20 0 BGADHM Cc1cc(C(=O)Nc2ccc(C)cc2[O-])c(C)o1 ZINC000040418361 358489994 /nfs/dbraw/zinc/48/99/94/358489994.db2.gz YURBDXQDSQIQOS-UHFFFAOYSA-N -1 3 245.278 3.163 20 0 BGADHM CCC[C@@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000040430643 169353268 /nfs/dbraw/zinc/35/32/68/169353268.db2.gz GBKOQOUJNYXKJD-SNVBAGLBSA-N -1 3 221.300 3.075 20 0 BGADHM CCC[C@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000040430644 384150737 /nfs/dbraw/zinc/15/07/37/384150737.db2.gz GBKOQOUJNYXKJD-JTQLQIEISA-N -1 3 221.300 3.075 20 0 BGADHM CCCCCC(=O)Nc1ccc(C)cc1[O-] ZINC000040432184 343403070 /nfs/dbraw/zinc/40/30/70/343403070.db2.gz BWHDXLNGRGEZBY-UHFFFAOYSA-N -1 3 221.300 3.219 20 0 BGADHM CC(C)CN(CC(C)C)C(=O)c1cccc([O-])c1 ZINC000041635013 358513121 /nfs/dbraw/zinc/51/31/21/358513121.db2.gz PHPOQMMRNNNUQM-UHFFFAOYSA-N -1 3 249.354 3.146 20 0 BGADHM CC(C)CN(CC(C)C)C(=O)c1ccccc1[O-] ZINC000041638424 343422199 /nfs/dbraw/zinc/42/21/99/343422199.db2.gz RIRSBXOHHQLXTG-UHFFFAOYSA-N -1 3 249.354 3.146 20 0 BGADHM CC(C)CCC[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000042208295 166820502 /nfs/dbraw/zinc/82/05/02/166820502.db2.gz LJIKNCYLCVHZEL-GFCCVEGCSA-N -1 3 249.354 3.337 20 0 BGADHM CC(C)CCC[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000042208298 384206481 /nfs/dbraw/zinc/20/64/81/384206481.db2.gz LJIKNCYLCVHZEL-LBPRGKRZSA-N -1 3 249.354 3.337 20 0 BGADHM CC(C)CCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000042208300 384632560 /nfs/dbraw/zinc/63/25/60/384632560.db2.gz IIWQMOVHZBAZON-GFCCVEGCSA-N -1 3 249.354 3.337 20 0 BGADHM CC(C)CCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC000042208303 384632857 /nfs/dbraw/zinc/63/28/57/384632857.db2.gz IIWQMOVHZBAZON-LBPRGKRZSA-N -1 3 249.354 3.337 20 0 BGADHM CCCCC[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000042208311 343431616 /nfs/dbraw/zinc/43/16/16/343431616.db2.gz SETWYFQJUYRSEV-LLVKDONJSA-N -1 3 235.327 3.091 20 0 BGADHM CCCCC[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000042208314 343431550 /nfs/dbraw/zinc/43/15/50/343431550.db2.gz SETWYFQJUYRSEV-NSHDSACASA-N -1 3 235.327 3.091 20 0 BGADHM CCCCC[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000042208326 641549908 /nfs/dbraw/zinc/54/99/08/641549908.db2.gz FZBLVVLJLOUEMZ-GFCCVEGCSA-N -1 3 249.354 3.399 20 0 BGADHM CCCCC[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000042208329 641549102 /nfs/dbraw/zinc/54/91/02/641549102.db2.gz FZBLVVLJLOUEMZ-LBPRGKRZSA-N -1 3 249.354 3.399 20 0 BGADHM CCCCCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000042208357 641549406 /nfs/dbraw/zinc/54/94/06/641549406.db2.gz YNRNZRQCLBVRLR-GFCCVEGCSA-N -1 3 249.354 3.481 20 0 BGADHM CCCCCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC000042208359 641549393 /nfs/dbraw/zinc/54/93/93/641549393.db2.gz YNRNZRQCLBVRLR-LBPRGKRZSA-N -1 3 249.354 3.481 20 0 BGADHM CC1CCC(N(C)C(=O)c2cccc([O-])c2)CC1 ZINC000042221573 168158276 /nfs/dbraw/zinc/15/82/76/168158276.db2.gz FKXRGWLMFJVKLX-UHFFFAOYSA-N -1 3 247.338 3.043 20 0 BGADHM CC1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC000042227243 168157453 /nfs/dbraw/zinc/15/74/53/168157453.db2.gz MOHGDEOJWGEMBK-UHFFFAOYSA-N -1 3 247.338 3.043 20 0 BGADHM CN(CC1CCCCC1)C(=O)c1ccccc1[O-] ZINC000042238299 322837061 /nfs/dbraw/zinc/83/70/61/322837061.db2.gz PWMJQJNXRRAZGN-UHFFFAOYSA-N -1 3 247.338 3.045 20 0 BGADHM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000042239283 384635801 /nfs/dbraw/zinc/63/58/01/384635801.db2.gz WZOPJHAVYIXWGX-NEPJUHHUSA-N -1 3 247.338 3.043 20 0 BGADHM C[C@H]1CCC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000042239284 384636152 /nfs/dbraw/zinc/63/61/52/384636152.db2.gz WZOPJHAVYIXWGX-RYUDHWBXSA-N -1 3 247.338 3.043 20 0 BGADHM C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000042239285 384633828 /nfs/dbraw/zinc/63/38/28/384633828.db2.gz WZOPJHAVYIXWGX-VXGBXAGGSA-N -1 3 247.338 3.043 20 0 BGADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000042239286 322837494 /nfs/dbraw/zinc/83/74/94/322837494.db2.gz WZOPJHAVYIXWGX-NWDGAFQWSA-N -1 3 247.338 3.043 20 0 BGADHM CCCCN(C(=O)c1cc(C)ccc1[O-])C1CC1 ZINC000042240238 343432160 /nfs/dbraw/zinc/43/21/60/343432160.db2.gz PPMQJKOOUHYSDX-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM CCCCN(C(=O)c1ccc(C)cc1[O-])C1CC1 ZINC000042240240 343432145 /nfs/dbraw/zinc/43/21/45/343432145.db2.gz ITFMFWQIMRFTAC-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM CCCCN(C(=O)c1cccc(C)c1[O-])C1CC1 ZINC000042240241 343432121 /nfs/dbraw/zinc/43/21/21/343432121.db2.gz NFYQZUZSSBJJPK-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM CCC(CC)CN(CC)C(=O)c1ccccc1[O-] ZINC000042257738 322837297 /nfs/dbraw/zinc/83/72/97/322837297.db2.gz JHBPVUWRDZENIF-UHFFFAOYSA-N -1 3 249.354 3.291 20 0 BGADHM CCc1nc(-c2ccccc2[O-])sc1C ZINC000042410685 384638433 /nfs/dbraw/zinc/63/84/33/384638433.db2.gz ZSRURQFZLFNQML-UHFFFAOYSA-N -1 3 219.309 3.387 20 0 BGADHM CCC(CC)CN(CC)C(=O)c1cccc([O-])c1 ZINC000042488212 168348940 /nfs/dbraw/zinc/34/89/40/168348940.db2.gz JKTACWPRTCXJRT-UHFFFAOYSA-N -1 3 249.354 3.291 20 0 BGADHM CN(CC1CCCCC1)C(=O)c1cccc([O-])c1 ZINC000042495492 343440305 /nfs/dbraw/zinc/44/03/05/343440305.db2.gz SHVHIXLKLQIQNV-UHFFFAOYSA-N -1 3 247.338 3.045 20 0 BGADHM C[C@@H]1CCC[C@H](N(C)C(=O)c2cccc([O-])c2)C1 ZINC000042495498 176140884 /nfs/dbraw/zinc/14/08/84/176140884.db2.gz SPMHKQJCGSTWFT-YPMHNXCESA-N -1 3 247.338 3.043 20 0 BGADHM C[C@H]1CCC[C@H](N(C)C(=O)c2cccc([O-])c2)C1 ZINC000042495499 177133862 /nfs/dbraw/zinc/13/38/62/177133862.db2.gz SPMHKQJCGSTWFT-AAEUAGOBSA-N -1 3 247.338 3.043 20 0 BGADHM C[C@@H]1CCC[C@@H](N(C)C(=O)c2cccc([O-])c2)C1 ZINC000042495501 176121133 /nfs/dbraw/zinc/12/11/33/176121133.db2.gz SPMHKQJCGSTWFT-DGCLKSJQSA-N -1 3 247.338 3.043 20 0 BGADHM C[C@H]1CCC[C@@H](N(C)C(=O)c2cccc([O-])c2)C1 ZINC000042495503 177120875 /nfs/dbraw/zinc/12/08/75/177120875.db2.gz SPMHKQJCGSTWFT-WCQYABFASA-N -1 3 247.338 3.043 20 0 BGADHM CCCCCN(C(=O)c1cccc([O-])c1)C(C)C ZINC000042551707 343442740 /nfs/dbraw/zinc/44/27/40/343442740.db2.gz VXZPKWSCUBYSNM-UHFFFAOYSA-N -1 3 249.354 3.433 20 0 BGADHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000042582561 358527431 /nfs/dbraw/zinc/52/74/31/358527431.db2.gz BXRGEPBQLQMSNE-RISCZKNCSA-N -1 3 247.338 3.091 20 0 BGADHM CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000042582564 358527424 /nfs/dbraw/zinc/52/74/24/358527424.db2.gz BXRGEPBQLQMSNE-FZMZJTMJSA-N -1 3 247.338 3.091 20 0 BGADHM CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000042582566 170970256 /nfs/dbraw/zinc/97/02/56/170970256.db2.gz BXRGEPBQLQMSNE-BXUZGUMPSA-N -1 3 247.338 3.091 20 0 BGADHM CC[C@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000042582569 358527298 /nfs/dbraw/zinc/52/72/98/358527298.db2.gz BXRGEPBQLQMSNE-SMDDNHRTSA-N -1 3 247.338 3.091 20 0 BGADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cccc([O-])c1 ZINC000042610595 176077952 /nfs/dbraw/zinc/07/79/52/176077952.db2.gz FJWRVVYLIQRROR-RISCZKNCSA-N -1 3 247.338 3.043 20 0 BGADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cccc([O-])c1 ZINC000042610596 177080990 /nfs/dbraw/zinc/08/09/90/177080990.db2.gz FJWRVVYLIQRROR-FZMZJTMJSA-N -1 3 247.338 3.043 20 0 BGADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cccc([O-])c1 ZINC000042610597 176085450 /nfs/dbraw/zinc/08/54/50/176085450.db2.gz FJWRVVYLIQRROR-BXUZGUMPSA-N -1 3 247.338 3.043 20 0 BGADHM C[C@H]1CCCC[C@H]1N(C)C(=O)c1cccc([O-])c1 ZINC000042610598 177087313 /nfs/dbraw/zinc/08/73/13/177087313.db2.gz FJWRVVYLIQRROR-SMDDNHRTSA-N -1 3 247.338 3.043 20 0 BGADHM Cc1c(F)cccc1NC(=O)c1cccc([O-])c1 ZINC000043322334 343468072 /nfs/dbraw/zinc/46/80/72/343468072.db2.gz QXOAFBNBEHEXRM-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1cccc(C(=O)NC2(C)CCCCC2)c1[O-] ZINC000044366193 322841389 /nfs/dbraw/zinc/84/13/89/322841389.db2.gz JBROUKUTPNHWNB-UHFFFAOYSA-N -1 3 247.338 3.153 20 0 BGADHM Cc1ccc(C(=O)NC2(C)CCCCC2)c([O-])c1 ZINC000044366232 345038482 /nfs/dbraw/zinc/03/84/82/345038482.db2.gz QXMZGYFTDGRPOL-UHFFFAOYSA-N -1 3 247.338 3.153 20 0 BGADHM Cc1ccc([O-])c(C(=O)NC2(C)CCCCC2)c1 ZINC000044366261 345038143 /nfs/dbraw/zinc/03/81/43/345038143.db2.gz OBFZGMPFTHUKBT-UHFFFAOYSA-N -1 3 247.338 3.153 20 0 BGADHM CCCCCN(C(=O)c1ccccc1[O-])C(C)C ZINC000047846405 343567134 /nfs/dbraw/zinc/56/71/34/343567134.db2.gz BOQPUZHQTBHHJF-UHFFFAOYSA-N -1 3 249.354 3.433 20 0 BGADHM Cc1cccc(C(=O)N(CC(C)C)C(C)C)c1[O-] ZINC000047872973 179006292 /nfs/dbraw/zinc/00/62/92/179006292.db2.gz BGXXGVSEEGTZMO-UHFFFAOYSA-N -1 3 249.354 3.207 20 0 BGADHM Cc1ccc(C(=O)N(CC(C)C)C(C)C)c([O-])c1 ZINC000047872978 178381515 /nfs/dbraw/zinc/38/15/15/178381515.db2.gz TZYRBGQJUOCBTH-UHFFFAOYSA-N -1 3 249.354 3.207 20 0 BGADHM Cc1ccc([O-])c(C(=O)N(CC(C)C)C(C)C)c1 ZINC000047872984 343013366 /nfs/dbraw/zinc/01/33/66/343013366.db2.gz FMEBKSONQNOVGU-UHFFFAOYSA-N -1 3 249.354 3.207 20 0 BGADHM CC(C)(C)CC(C)(C)NC(=O)c1cccc([O-])c1 ZINC000048150147 343015383 /nfs/dbraw/zinc/01/53/83/343015383.db2.gz WXAWUWULYZUPBG-UHFFFAOYSA-N -1 3 249.354 3.337 20 0 BGADHM Cc1ccc(C(=O)N2CCCCCC2)c([O-])c1C ZINC000048369490 178386005 /nfs/dbraw/zinc/38/60/05/178386005.db2.gz ITQXZWGWRHLTKC-UHFFFAOYSA-N -1 3 247.338 3.025 20 0 BGADHM Cc1ccc(C(=O)Nc2ccccc2)c([O-])c1C ZINC000048370150 323153033 /nfs/dbraw/zinc/15/30/33/323153033.db2.gz PFAAQGJEOARHBB-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM CC[C@@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000048517677 323153723 /nfs/dbraw/zinc/15/37/23/323153723.db2.gz QZRZPMLSTAJEPM-SNVBAGLBSA-N -1 3 235.327 3.044 20 0 BGADHM CC[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000048517679 323153728 /nfs/dbraw/zinc/15/37/28/323153728.db2.gz QZRZPMLSTAJEPM-JTQLQIEISA-N -1 3 235.327 3.044 20 0 BGADHM Cc1ccc(C(=O)NC2CCCCC2)c([O-])c1C ZINC000048517695 323153712 /nfs/dbraw/zinc/15/37/12/323153712.db2.gz QJCGNJMIYKIPJI-UHFFFAOYSA-N -1 3 247.338 3.072 20 0 BGADHM CCC[C@@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000048517710 487921940 /nfs/dbraw/zinc/92/19/40/487921940.db2.gz YTFDLHHSNMHTAA-LLVKDONJSA-N -1 3 249.354 3.434 20 0 BGADHM CCC[C@H](C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000048517711 487921958 /nfs/dbraw/zinc/92/19/58/487921958.db2.gz YTFDLHHSNMHTAA-NSHDSACASA-N -1 3 249.354 3.434 20 0 BGADHM CC(C)CCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000048517761 323153687 /nfs/dbraw/zinc/15/36/87/323153687.db2.gz BKJXUUXMADLWGC-UHFFFAOYSA-N -1 3 249.354 3.292 20 0 BGADHM CC(C)c1ccc(C(=O)NC2CCCC2)c([O-])c1 ZINC000048517792 323153744 /nfs/dbraw/zinc/15/37/44/323153744.db2.gz GSGDPZYEBKNZIU-UHFFFAOYSA-N -1 3 247.338 3.188 20 0 BGADHM CC(C)c1ccc(C(=O)NCC2CCC2)c([O-])c1 ZINC000048574267 323154343 /nfs/dbraw/zinc/15/43/43/323154343.db2.gz AXIBZWHZANJJKH-UHFFFAOYSA-N -1 3 247.338 3.046 20 0 BGADHM CCc1ccsc1C(=O)Nc1ccccc1[O-] ZINC000048911830 358660660 /nfs/dbraw/zinc/66/06/60/358660660.db2.gz BRKQOJGWODXYRK-UHFFFAOYSA-N -1 3 247.319 3.268 20 0 BGADHM Cc1ccc(C(=O)NCCC(C)(C)C)c([O-])c1C ZINC000049248066 323159376 /nfs/dbraw/zinc/15/93/76/323159376.db2.gz NFOXFNKYLAHKQH-UHFFFAOYSA-N -1 3 249.354 3.175 20 0 BGADHM CCC[C@@H](CC)NC(=O)c1cccc(C)c1[O-] ZINC000050164485 384693086 /nfs/dbraw/zinc/69/30/86/384693086.db2.gz WJWUTFIKNOLQGY-LLVKDONJSA-N -1 3 235.327 3.009 20 0 BGADHM CCC[C@H](CC)NC(=O)c1cccc(C)c1[O-] ZINC000050164487 384692643 /nfs/dbraw/zinc/69/26/43/384692643.db2.gz WJWUTFIKNOLQGY-NSHDSACASA-N -1 3 235.327 3.009 20 0 BGADHM CCC[C@@H](CC)NC(=O)c1cc(C)ccc1[O-] ZINC000050164576 322849133 /nfs/dbraw/zinc/84/91/33/322849133.db2.gz PEBHLUWPVXRNBX-LLVKDONJSA-N -1 3 235.327 3.009 20 0 BGADHM CCC[C@H](CC)NC(=O)c1cc(C)ccc1[O-] ZINC000050164578 384694378 /nfs/dbraw/zinc/69/43/78/384694378.db2.gz PEBHLUWPVXRNBX-NSHDSACASA-N -1 3 235.327 3.009 20 0 BGADHM CCC[C@@H](CC)NC(=O)c1ccc(C)cc1[O-] ZINC000050164609 322849130 /nfs/dbraw/zinc/84/91/30/322849130.db2.gz VHYLQAVDFOGTHN-LLVKDONJSA-N -1 3 235.327 3.009 20 0 BGADHM CCC[C@H](CC)NC(=O)c1ccc(C)cc1[O-] ZINC000050164611 322849155 /nfs/dbraw/zinc/84/91/55/322849155.db2.gz VHYLQAVDFOGTHN-NSHDSACASA-N -1 3 235.327 3.009 20 0 BGADHM CCc1csc(-c2ccccc2[O-])n1 ZINC000050182051 358718594 /nfs/dbraw/zinc/71/85/94/358718594.db2.gz SMYBVMPLHLHZQP-UHFFFAOYSA-N -1 3 205.282 3.078 20 0 BGADHM CCCc1csc(-c2ccccc2[O-])n1 ZINC000050192964 384689562 /nfs/dbraw/zinc/68/95/62/384689562.db2.gz BJQVNGZIRXYUCT-UHFFFAOYSA-N -1 3 219.309 3.468 20 0 BGADHM C[C@H](NC(=O)c1ccccc1[O-])C1CCCCC1 ZINC000052343664 384724560 /nfs/dbraw/zinc/72/45/60/384724560.db2.gz VKWKICSLJKERMJ-NSHDSACASA-N -1 3 247.338 3.091 20 0 BGADHM C[C@@H](NC(=O)c1ccccc1[O-])C1CCCCC1 ZINC000052343665 322854476 /nfs/dbraw/zinc/85/44/76/322854476.db2.gz VKWKICSLJKERMJ-LLVKDONJSA-N -1 3 247.338 3.091 20 0 BGADHM C[C@H](NC(=O)c1cccc([O-])c1)C1CCCCC1 ZINC000052343667 358779741 /nfs/dbraw/zinc/77/97/41/358779741.db2.gz UKUGXZBCMDQROK-NSHDSACASA-N -1 3 247.338 3.091 20 0 BGADHM C[C@@H](NC(=O)c1cccc([O-])c1)C1CCCCC1 ZINC000052343669 358779978 /nfs/dbraw/zinc/77/99/78/358779978.db2.gz UKUGXZBCMDQROK-LLVKDONJSA-N -1 3 247.338 3.091 20 0 BGADHM Cc1ccoc1C(=O)[N-]c1c(F)cccc1F ZINC000052604548 358788214 /nfs/dbraw/zinc/78/82/14/358788214.db2.gz WGSVBPUBIZETDM-UHFFFAOYSA-N -1 3 237.205 3.119 20 0 BGADHM CC(C)(C)CC(C)(C)NC(=O)c1ccccc1[O-] ZINC000053674226 166553330 /nfs/dbraw/zinc/55/33/30/166553330.db2.gz WHPFIDICUAMTDB-UHFFFAOYSA-N -1 3 249.354 3.337 20 0 BGADHM CCC(C)(C)C(=O)Nc1ccc(C)cc1[O-] ZINC000054403605 168268481 /nfs/dbraw/zinc/26/84/81/168268481.db2.gz GZZVFSUKLGQFEN-UHFFFAOYSA-N -1 3 221.300 3.075 20 0 BGADHM CCC(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000054403620 168306149 /nfs/dbraw/zinc/30/61/49/168306149.db2.gz PRTNOVAUWHZKQT-UHFFFAOYSA-N -1 3 232.283 3.130 20 0 BGADHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccccc1[O-] ZINC000055482145 176077368 /nfs/dbraw/zinc/07/73/68/176077368.db2.gz ZHKZPNGPVNZALG-YPMHNXCESA-N -1 3 247.338 3.043 20 0 BGADHM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccccc1[O-] ZINC000055482146 177080967 /nfs/dbraw/zinc/08/09/67/177080967.db2.gz ZHKZPNGPVNZALG-AAEUAGOBSA-N -1 3 247.338 3.043 20 0 BGADHM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccccc1[O-] ZINC000055482149 176085235 /nfs/dbraw/zinc/08/52/35/176085235.db2.gz ZHKZPNGPVNZALG-DGCLKSJQSA-N -1 3 247.338 3.043 20 0 BGADHM C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccccc1[O-] ZINC000055482152 177087087 /nfs/dbraw/zinc/08/70/87/177087087.db2.gz ZHKZPNGPVNZALG-WCQYABFASA-N -1 3 247.338 3.043 20 0 BGADHM Cc1ccc([O-])c(C(=O)N(C)[C@@H](C)C(C)(C)C)c1 ZINC000055482212 388091073 /nfs/dbraw/zinc/09/10/73/388091073.db2.gz VAUZMCBTLSNACJ-NSHDSACASA-N -1 3 249.354 3.207 20 0 BGADHM Cc1ccc([O-])c(C(=O)N(C)[C@H](C)C(C)(C)C)c1 ZINC000055482213 388091334 /nfs/dbraw/zinc/09/13/34/388091334.db2.gz VAUZMCBTLSNACJ-LLVKDONJSA-N -1 3 249.354 3.207 20 0 BGADHM Cc1ccc(C(=O)N(C)[C@@H](C)C(C)(C)C)c([O-])c1 ZINC000055482224 178380074 /nfs/dbraw/zinc/38/00/74/178380074.db2.gz YKPBLQCRXXHJPU-NSHDSACASA-N -1 3 249.354 3.207 20 0 BGADHM Cc1ccc(C(=O)N(C)[C@H](C)C(C)(C)C)c([O-])c1 ZINC000055482225 178379610 /nfs/dbraw/zinc/37/96/10/178379610.db2.gz YKPBLQCRXXHJPU-LLVKDONJSA-N -1 3 249.354 3.207 20 0 BGADHM Cc1cccc(C(=O)N(C)[C@@H](C)C(C)(C)C)c1[O-] ZINC000055482238 179004885 /nfs/dbraw/zinc/00/48/85/179004885.db2.gz RRTWFTDVADYPCR-NSHDSACASA-N -1 3 249.354 3.207 20 0 BGADHM Cc1cccc(C(=O)N(C)[C@H](C)C(C)(C)C)c1[O-] ZINC000055482244 179005163 /nfs/dbraw/zinc/00/51/63/179005163.db2.gz RRTWFTDVADYPCR-LLVKDONJSA-N -1 3 249.354 3.207 20 0 BGADHM CCCCN(C(=O)c1ccccc1[O-])[C@@H](C)CC ZINC000055487526 384887019 /nfs/dbraw/zinc/88/70/19/384887019.db2.gz ZPOVQDJQQFYNPZ-LBPRGKRZSA-N -1 3 249.354 3.433 20 0 BGADHM CCCCN(C(=O)c1ccccc1[O-])[C@H](C)CC ZINC000055487530 384885546 /nfs/dbraw/zinc/88/55/46/384885546.db2.gz ZPOVQDJQQFYNPZ-GFCCVEGCSA-N -1 3 249.354 3.433 20 0 BGADHM CC(C)(C)CCOc1ccc2c([O-])coc2c1 ZINC000057524094 410178823 /nfs/dbraw/zinc/17/88/23/410178823.db2.gz HWXUQSHKAILHMR-UHFFFAOYSA-N -1 3 234.295 3.077 20 0 BGADHM [O-]c1coc2cc(OCC3CCCCC3)ccc12 ZINC000057524165 410179322 /nfs/dbraw/zinc/17/93/22/410179322.db2.gz HAASCOJGOSXMES-UHFFFAOYSA-N -1 3 246.306 3.221 20 0 BGADHM CCCCCCOc1ccc2c([O-])coc2c1 ZINC000057524448 711826754 /nfs/dbraw/zinc/82/67/54/711826754.db2.gz BJRAOXLHZNWWCF-UHFFFAOYSA-N -1 3 234.295 3.221 20 0 BGADHM O=C(CC1CCCCC1)Nc1ccccc1[O-] ZINC000057612456 384957239 /nfs/dbraw/zinc/95/72/39/384957239.db2.gz XAZWZYQKVHZDKY-UHFFFAOYSA-N -1 3 233.311 3.301 20 0 BGADHM CCCCCCNC(=O)c1ccc(C)cc1[O-] ZINC000057613093 640624486 /nfs/dbraw/zinc/62/44/86/640624486.db2.gz HYMFRXNFAWPQCE-UHFFFAOYSA-N -1 3 235.327 3.011 20 0 BGADHM O=C(OCC1CCCCC1)c1ccc([O-])cc1 ZINC000060383205 640856367 /nfs/dbraw/zinc/85/63/67/640856367.db2.gz ZDGOYAAKWVWONG-UHFFFAOYSA-N -1 3 234.295 3.129 20 0 BGADHM CCC1(C)CCN(C(=O)c2ccccc2[O-])CC1 ZINC000060942529 385103211 /nfs/dbraw/zinc/10/32/11/385103211.db2.gz AJXUZCHEPOLTKN-UHFFFAOYSA-N -1 3 247.338 3.045 20 0 BGADHM Cc1cc(NC(=O)c2cccc([O-])c2)ccc1F ZINC000061120425 358932008 /nfs/dbraw/zinc/93/20/08/358932008.db2.gz VLPKIFRTNBSSNB-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM CCCCCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000061142239 640929411 /nfs/dbraw/zinc/92/94/11/640929411.db2.gz KXZREAPFZZRFKV-UHFFFAOYSA-N -1 3 248.282 3.017 20 0 BGADHM CCCCCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000061142239 640929401 /nfs/dbraw/zinc/92/94/01/640929401.db2.gz KXZREAPFZZRFKV-UHFFFAOYSA-N -1 3 248.282 3.017 20 0 BGADHM O=C(CCC1CCCC1)[N-]OCc1ccccc1 ZINC000061509070 640969711 /nfs/dbraw/zinc/96/97/11/640969711.db2.gz AXURFBTVPVGKMA-UHFFFAOYSA-N -1 3 247.338 3.205 20 0 BGADHM CC(C)n1cc([N-]c2nc3ccccc3o2)cn1 ZINC000061683624 386477831 /nfs/dbraw/zinc/47/78/31/386477831.db2.gz PLRGQOZWRIDPDY-UHFFFAOYSA-N -1 3 242.282 3.349 20 0 BGADHM CCC1(C)CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000062959668 385198905 /nfs/dbraw/zinc/19/89/05/385198905.db2.gz YECNLTFAKZKJQB-UHFFFAOYSA-N -1 3 247.338 3.045 20 0 BGADHM CCC(CC)C(=O)N1CCCc2cccc([O-])c21 ZINC000063063795 132389192 /nfs/dbraw/zinc/38/91/92/132389192.db2.gz UXCGNETZIJFJRI-UHFFFAOYSA-N -1 3 247.338 3.108 20 0 BGADHM CC(C)(C)CC(=O)N1CCCc2cccc([O-])c21 ZINC000063063853 534565107 /nfs/dbraw/zinc/56/51/07/534565107.db2.gz JSUMAOVZFJVIQO-UHFFFAOYSA-N -1 3 247.338 3.108 20 0 BGADHM CC(C)CCC(=O)N1CCCc2cccc([O-])c21 ZINC000063063886 132389811 /nfs/dbraw/zinc/38/98/11/132389811.db2.gz WTUQHODNVYEHQT-UHFFFAOYSA-N -1 3 247.338 3.108 20 0 BGADHM CCC[C@@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000063063889 132389248 /nfs/dbraw/zinc/38/92/48/132389248.db2.gz UHDLPOCUUMQBPD-LLVKDONJSA-N -1 3 247.338 3.108 20 0 BGADHM CCC[C@H](C)C(=O)N1CCCc2cccc([O-])c21 ZINC000063063890 535587561 /nfs/dbraw/zinc/58/75/61/535587561.db2.gz UHDLPOCUUMQBPD-NSHDSACASA-N -1 3 247.338 3.108 20 0 BGADHM CCCCCC(=O)N1CCCc2cccc([O-])c21 ZINC000063063918 132389307 /nfs/dbraw/zinc/38/93/07/132389307.db2.gz NBDZDCFLJDOXOY-UHFFFAOYSA-N -1 3 247.338 3.252 20 0 BGADHM Cc1ccc(C(=O)[N-]c2c(F)cccc2F)o1 ZINC000066280367 388027901 /nfs/dbraw/zinc/02/79/01/388027901.db2.gz NNQGHUKIWHJUQV-UHFFFAOYSA-N -1 3 237.205 3.119 20 0 BGADHM CC(C)CCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000067145374 361981439 /nfs/dbraw/zinc/98/14/39/361981439.db2.gz JFBMFIMYSMSXHV-UHFFFAOYSA-N -1 3 241.718 3.420 20 0 BGADHM CC(C)C[C@@H](C)CC(=O)Nc1ccccc1[O-] ZINC000069370329 324941150 /nfs/dbraw/zinc/94/11/50/324941150.db2.gz PJPSSWWGQIFTKM-LLVKDONJSA-N -1 3 235.327 3.403 20 0 BGADHM CC(C)C[C@H](C)CC(=O)Nc1ccccc1[O-] ZINC000069370334 324941519 /nfs/dbraw/zinc/94/15/19/324941519.db2.gz PJPSSWWGQIFTKM-NSHDSACASA-N -1 3 235.327 3.403 20 0 BGADHM CC(C)[C@@H](C)CC(=O)Nc1ccccc1[O-] ZINC000069370337 167357996 /nfs/dbraw/zinc/35/79/96/167357996.db2.gz NDCZJKCZQFMVSF-JTQLQIEISA-N -1 3 221.300 3.013 20 0 BGADHM CC(C)[C@H](C)CC(=O)Nc1ccccc1[O-] ZINC000069370342 191002234 /nfs/dbraw/zinc/00/22/34/191002234.db2.gz NDCZJKCZQFMVSF-SNVBAGLBSA-N -1 3 221.300 3.013 20 0 BGADHM CCCCN(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000069524370 368754283 /nfs/dbraw/zinc/75/42/83/368754283.db2.gz KBVYSOFMONIKIL-UHFFFAOYSA-N -1 3 249.354 3.388 20 0 BGADHM CC(C)(C)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000069692966 359032468 /nfs/dbraw/zinc/03/24/68/359032468.db2.gz XXKFSYUZOHTCCK-UHFFFAOYSA-N -1 3 241.718 3.420 20 0 BGADHM Cc1cccc(C(=O)N[C@@H](C)CCC(C)C)c1[O-] ZINC000070185377 323172400 /nfs/dbraw/zinc/17/24/00/323172400.db2.gz WHSSUYUCAPYYFN-LBPRGKRZSA-N -1 3 249.354 3.255 20 0 BGADHM Cc1cccc(C(=O)N[C@H](C)CCC(C)C)c1[O-] ZINC000070185378 323172326 /nfs/dbraw/zinc/17/23/26/323172326.db2.gz WHSSUYUCAPYYFN-GFCCVEGCSA-N -1 3 249.354 3.255 20 0 BGADHM Cc1ccc(C(=O)N[C@@H](C)CCC(C)C)c([O-])c1 ZINC000070185381 323172374 /nfs/dbraw/zinc/17/23/74/323172374.db2.gz HAOWKBCGWBCGND-LBPRGKRZSA-N -1 3 249.354 3.255 20 0 BGADHM Cc1ccc(C(=O)N[C@H](C)CCC(C)C)c([O-])c1 ZINC000070185382 323172334 /nfs/dbraw/zinc/17/23/34/323172334.db2.gz HAOWKBCGWBCGND-GFCCVEGCSA-N -1 3 249.354 3.255 20 0 BGADHM CC(C)CCCCCC[N-]C(=O)C(F)(F)F ZINC000070267106 643009781 /nfs/dbraw/zinc/00/97/81/643009781.db2.gz PBAIBFRBCSTFMZ-UHFFFAOYSA-N -1 3 239.281 3.271 20 0 BGADHM O=C(CC1CCCCC1)[N-]OCc1ccccc1 ZINC000070271344 643007945 /nfs/dbraw/zinc/00/79/45/643007945.db2.gz KDADFKKQMOPWSK-UHFFFAOYSA-N -1 3 247.338 3.205 20 0 BGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)C2CCCC2)c1 ZINC000070308295 323186165 /nfs/dbraw/zinc/18/61/65/323186165.db2.gz ALFBYACZWNCYOW-NSHDSACASA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc(C(=O)N2CCCCC[C@@H]2C)c1[O-] ZINC000070410726 325008422 /nfs/dbraw/zinc/00/84/22/325008422.db2.gz GTLKZIGFRJZPED-LBPRGKRZSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1cccc(C(=O)N2CCCCC[C@H]2C)c1[O-] ZINC000070410727 325008002 /nfs/dbraw/zinc/00/80/02/325008002.db2.gz GTLKZIGFRJZPED-GFCCVEGCSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2C)c1 ZINC000070410728 325008120 /nfs/dbraw/zinc/00/81/20/325008120.db2.gz AUBBRDLMXLMHJW-LBPRGKRZSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1ccc([O-])c(C(=O)N2CCCCC[C@H]2C)c1 ZINC000070410729 325008490 /nfs/dbraw/zinc/00/84/90/325008490.db2.gz AUBBRDLMXLMHJW-GFCCVEGCSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1ccc(C(=O)N2CCCCC[C@@H]2C)c([O-])c1 ZINC000070410750 325008271 /nfs/dbraw/zinc/00/82/71/325008271.db2.gz DOQLUMGYSIBMME-LBPRGKRZSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1ccc(C(=O)N2CCCCC[C@H]2C)c([O-])c1 ZINC000070410751 325007984 /nfs/dbraw/zinc/00/79/84/325007984.db2.gz DOQLUMGYSIBMME-GFCCVEGCSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1cccc(-c2nc(-c3ccoc3)no2)c1[O-] ZINC000070414930 323193679 /nfs/dbraw/zinc/19/36/79/323193679.db2.gz ULZZUUOUALQZHE-UHFFFAOYSA-N -1 3 242.234 3.011 20 0 BGADHM Cc1ccc(-c2nc(-c3ccoc3)no2)c([O-])c1 ZINC000070414931 323193595 /nfs/dbraw/zinc/19/35/95/323193595.db2.gz CZLSBZQMBFQLJN-UHFFFAOYSA-N -1 3 242.234 3.011 20 0 BGADHM [O-]c1ccc(-c2noc([C@@H]3CCCS3)n2)cc1 ZINC000070437130 183266512 /nfs/dbraw/zinc/26/65/12/183266512.db2.gz OAAVVVHLHBDBMI-JTQLQIEISA-N -1 3 248.307 3.010 20 0 BGADHM [O-]c1ccc(-c2noc([C@H]3CCCS3)n2)cc1 ZINC000070437131 183265785 /nfs/dbraw/zinc/26/57/85/183265785.db2.gz OAAVVVHLHBDBMI-SNVBAGLBSA-N -1 3 248.307 3.010 20 0 BGADHM O=C(Nc1ccccc1[O-])C1CCCCCC1 ZINC000072078835 182380766 /nfs/dbraw/zinc/38/07/66/182380766.db2.gz CQZZUUPLIQERGW-UHFFFAOYSA-N -1 3 233.311 3.301 20 0 BGADHM [O-]c1ccc(Cl)cc1/C=N/CCc1ccco1 ZINC000072658351 711905423 /nfs/dbraw/zinc/90/54/23/711905423.db2.gz OFCUMCIJOZUZKM-OQLLNIDSSA-N -1 3 249.697 3.300 20 0 BGADHM CCC(C)(C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000072700316 369487569 /nfs/dbraw/zinc/48/75/69/369487569.db2.gz VEBJHNVAXGJTMM-UHFFFAOYSA-N -1 3 235.327 3.465 20 0 BGADHM CCC(C)(C)CC(=O)Nc1ccccc1[O-] ZINC000072700404 368778374 /nfs/dbraw/zinc/77/83/74/368778374.db2.gz LEFUZEGYJDIEAI-UHFFFAOYSA-N -1 3 221.300 3.157 20 0 BGADHM CCC(C)(C)CC(=O)[N-]OCc1ccccc1 ZINC000072936361 643335581 /nfs/dbraw/zinc/33/55/81/643335581.db2.gz TXZWKTYVYGMHMQ-UHFFFAOYSA-N -1 3 235.327 3.061 20 0 BGADHM CC[C@]1(C)CCCN(C(=O)c2ccccc2[O-])C1 ZINC000075213413 487826388 /nfs/dbraw/zinc/82/63/88/487826388.db2.gz QIITYDRGLXSUAV-OAHLLOKOSA-N -1 3 247.338 3.045 20 0 BGADHM CC[C@@]1(C)CCCN(C(=O)c2ccccc2[O-])C1 ZINC000075213414 171199263 /nfs/dbraw/zinc/19/92/63/171199263.db2.gz QIITYDRGLXSUAV-HNNXBMFYSA-N -1 3 247.338 3.045 20 0 BGADHM CC(C)c1ccc(C(=O)N2CCC[C@H]2C)c([O-])c1 ZINC000075414516 344771262 /nfs/dbraw/zinc/77/12/62/344771262.db2.gz UXCSNCOCPSTUIY-LLVKDONJSA-N -1 3 247.338 3.140 20 0 BGADHM CC(C)c1ccc(C(=O)N2CCC[C@@H]2C)c([O-])c1 ZINC000075414517 344771230 /nfs/dbraw/zinc/77/12/30/344771230.db2.gz UXCSNCOCPSTUIY-NSHDSACASA-N -1 3 247.338 3.140 20 0 BGADHM Cc1csc2[n-]c(-c3cccs3)nc(=O)c12 ZINC000077251493 135059701 /nfs/dbraw/zinc/05/97/01/135059701.db2.gz MSLILLAHRXLRKZ-UHFFFAOYSA-N -1 3 248.332 3.022 20 0 BGADHM C[C@@H](c1ccccc1)[S@@](=O)c1ccc([O-])cc1 ZINC000077889327 325397452 /nfs/dbraw/zinc/39/74/52/325397452.db2.gz WDJKYQMACLWIIC-GTNSWQLSSA-N -1 3 246.331 3.261 20 0 BGADHM C[C@H](c1ccccc1)[S@@](=O)c1ccc([O-])cc1 ZINC000077889330 325397402 /nfs/dbraw/zinc/39/74/02/325397402.db2.gz WDJKYQMACLWIIC-DIFFPNOSSA-N -1 3 246.331 3.261 20 0 BGADHM C[C@@H](c1ccccc1)[S@](=O)c1ccc([O-])cc1 ZINC000077889334 325397583 /nfs/dbraw/zinc/39/75/83/325397583.db2.gz WDJKYQMACLWIIC-APPDUMDISA-N -1 3 246.331 3.261 20 0 BGADHM C[C@H](c1ccccc1)[S@](=O)c1ccc([O-])cc1 ZINC000077889337 325397470 /nfs/dbraw/zinc/39/74/70/325397470.db2.gz WDJKYQMACLWIIC-PIGZYNQJSA-N -1 3 246.331 3.261 20 0 BGADHM Cc1ccc([O-])c(CNc2ccc(C)c(C)c2)n1 ZINC000078469810 387926977 /nfs/dbraw/zinc/92/69/77/387926977.db2.gz QPOPETHUYNBSFL-UHFFFAOYSA-N -1 3 242.322 3.325 20 0 BGADHM CCCC(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000078490872 135128185 /nfs/dbraw/zinc/12/81/85/135128185.db2.gz OUXWPMDDJFLOBO-UHFFFAOYSA-N -1 3 247.216 3.150 20 0 BGADHM CCC[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000078697478 169353438 /nfs/dbraw/zinc/35/34/38/169353438.db2.gz UMSYJIBSKJDJGR-MRVPVSSYSA-N -1 3 241.718 3.420 20 0 BGADHM CCC[C@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000078697487 388509714 /nfs/dbraw/zinc/50/97/14/388509714.db2.gz UMSYJIBSKJDJGR-QMMMGPOBSA-N -1 3 241.718 3.420 20 0 BGADHM Cc1ccc([O-])c(CNc2cccc(C)c2C)n1 ZINC000078779781 135151036 /nfs/dbraw/zinc/15/10/36/135151036.db2.gz SDXLPPNLKQDFSK-UHFFFAOYSA-N -1 3 242.322 3.325 20 0 BGADHM Cc1cc(C)cc(NCc2nc(C)ccc2[O-])c1 ZINC000078779907 384465498 /nfs/dbraw/zinc/46/54/98/384465498.db2.gz GOPXDAYWEMFTIH-UHFFFAOYSA-N -1 3 242.322 3.325 20 0 BGADHM CCc1ccc(NCc2nc(C)ccc2[O-])cc1 ZINC000078779921 536189968 /nfs/dbraw/zinc/18/99/68/536189968.db2.gz GHGFNVLRQFGLEG-UHFFFAOYSA-N -1 3 242.322 3.270 20 0 BGADHM CCc1cccc(NCc2nc(C)ccc2[O-])c1 ZINC000078779942 398176690 /nfs/dbraw/zinc/17/66/90/398176690.db2.gz FCDNMFJYJLUSSV-UHFFFAOYSA-N -1 3 242.322 3.270 20 0 BGADHM CC[C@@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000079053454 344106276 /nfs/dbraw/zinc/10/62/76/344106276.db2.gz XLMTWDCEIDUMLW-GFCCVEGCSA-N -1 3 247.338 3.045 20 0 BGADHM CC[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000079053457 384483630 /nfs/dbraw/zinc/48/36/30/384483630.db2.gz XLMTWDCEIDUMLW-LBPRGKRZSA-N -1 3 247.338 3.045 20 0 BGADHM CC[C@@H]1CCCN(C(=O)c2cccc([O-])c2)CC1 ZINC000079349570 344110921 /nfs/dbraw/zinc/11/09/21/344110921.db2.gz LULGHSDXKAROOO-GFCCVEGCSA-N -1 3 247.338 3.045 20 0 BGADHM CC[C@H]1CCCN(C(=O)c2cccc([O-])c2)CC1 ZINC000079349576 384491022 /nfs/dbraw/zinc/49/10/22/384491022.db2.gz LULGHSDXKAROOO-LBPRGKRZSA-N -1 3 247.338 3.045 20 0 BGADHM CC1(C)CCC(NC(=O)c2ccccc2[O-])CC1 ZINC000079679795 388543109 /nfs/dbraw/zinc/54/31/09/388543109.db2.gz FTCLFAXPZRUMIC-UHFFFAOYSA-N -1 3 247.338 3.091 20 0 BGADHM CC1(C)CCC(NC(=O)c2cccc([O-])c2)CC1 ZINC000079679816 535291622 /nfs/dbraw/zinc/29/16/22/535291622.db2.gz XQAGVMFSRMOJIX-UHFFFAOYSA-N -1 3 247.338 3.091 20 0 BGADHM Cc1ccc([O-])c(C(=O)Nc2ccsc2)c1 ZINC000080109815 387485525 /nfs/dbraw/zinc/48/55/25/387485525.db2.gz MXKYPNKVKVNMNN-UHFFFAOYSA-N -1 3 233.292 3.014 20 0 BGADHM Cc1ccc(C(=O)Nc2ccsc2)c([O-])c1 ZINC000080109840 388553016 /nfs/dbraw/zinc/55/30/16/388553016.db2.gz MUDAKQKHARGGIK-UHFFFAOYSA-N -1 3 233.292 3.014 20 0 BGADHM CC1(C)C(C(=O)Nc2ccccc2[O-])C1(C)C ZINC000080651426 325483164 /nfs/dbraw/zinc/48/31/64/325483164.db2.gz KUONIKJUSDACKX-UHFFFAOYSA-N -1 3 233.311 3.013 20 0 BGADHM CC[C@@H](C)CN(CC)C(=O)c1cccc(C)c1[O-] ZINC000080834093 384585609 /nfs/dbraw/zinc/58/56/09/384585609.db2.gz AYJHDXIVUSWOSJ-LLVKDONJSA-N -1 3 249.354 3.209 20 0 BGADHM CC[C@H](C)CN(CC)C(=O)c1cccc(C)c1[O-] ZINC000080834099 171278677 /nfs/dbraw/zinc/27/86/77/171278677.db2.gz AYJHDXIVUSWOSJ-NSHDSACASA-N -1 3 249.354 3.209 20 0 BGADHM Cc1ccc([O-])c(CNc2ccc(F)cc2C)n1 ZINC000081181447 135386770 /nfs/dbraw/zinc/38/67/70/135386770.db2.gz LSFVLEAAXQKTBH-UHFFFAOYSA-N -1 3 246.285 3.155 20 0 BGADHM CC(C)C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000081458481 384618966 /nfs/dbraw/zinc/61/89/66/384618966.db2.gz LNNHRAFDTMJAGU-UHFFFAOYSA-N -1 3 247.216 3.006 20 0 BGADHM CCc1cccc(C(=O)N(C)CCC(C)C)c1[O-] ZINC000081731775 491136289 /nfs/dbraw/zinc/13/62/89/491136289.db2.gz FROFJRVPOQSSGP-UHFFFAOYSA-N -1 3 249.354 3.073 20 0 BGADHM CCc1cccc(C(=O)N(C)CC(C)(C)C)c1[O-] ZINC000081777833 345492154 /nfs/dbraw/zinc/49/21/54/345492154.db2.gz MEEYVIXZXALZHD-UHFFFAOYSA-N -1 3 249.354 3.073 20 0 BGADHM CCc1cccc(C(=O)N(C)C[C@@H](C)CC)c1[O-] ZINC000081780471 364549099 /nfs/dbraw/zinc/54/90/99/364549099.db2.gz YDFLJWGZBPQZOA-NSHDSACASA-N -1 3 249.354 3.073 20 0 BGADHM CCc1cccc(C(=O)N(C)C[C@H](C)CC)c1[O-] ZINC000081780474 345492163 /nfs/dbraw/zinc/49/21/63/345492163.db2.gz YDFLJWGZBPQZOA-LLVKDONJSA-N -1 3 249.354 3.073 20 0 BGADHM CCCCCC(=O)Nc1ccc([O-])cc1F ZINC000082879385 385603003 /nfs/dbraw/zinc/60/30/03/385603003.db2.gz QDAYZGBTRQUOIZ-UHFFFAOYSA-N -1 3 225.263 3.050 20 0 BGADHM O=C(Nc1ccc([O-])cc1Cl)C1CCCC1 ZINC000082879779 345790369 /nfs/dbraw/zinc/79/03/69/345790369.db2.gz VGMKMAXONSFTRI-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM CCC[C@@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000082879787 345790720 /nfs/dbraw/zinc/79/07/20/345790720.db2.gz XRMKMKSSLQAESA-MRVPVSSYSA-N -1 3 241.718 3.420 20 0 BGADHM CCC[C@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000082879788 345790483 /nfs/dbraw/zinc/79/04/83/345790483.db2.gz XRMKMKSSLQAESA-QMMMGPOBSA-N -1 3 241.718 3.420 20 0 BGADHM CC(C)[C@@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000082879796 345790284 /nfs/dbraw/zinc/79/02/84/345790284.db2.gz UWJVAIPKOYTNMH-MRVPVSSYSA-N -1 3 241.718 3.276 20 0 BGADHM CC(C)[C@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000082879799 345790805 /nfs/dbraw/zinc/79/08/05/345790805.db2.gz UWJVAIPKOYTNMH-QMMMGPOBSA-N -1 3 241.718 3.276 20 0 BGADHM CC(C)CC(=O)Nc1ccc([O-])cc1Cl ZINC000082879803 345790687 /nfs/dbraw/zinc/79/06/87/345790687.db2.gz RGNCXWWHLDPRMD-UHFFFAOYSA-N -1 3 227.691 3.030 20 0 BGADHM CCC(CC)C(=O)Nc1ccc([O-])cc1Cl ZINC000082879805 345790799 /nfs/dbraw/zinc/79/07/99/345790799.db2.gz OQEBONSSVKUARB-UHFFFAOYSA-N -1 3 241.718 3.420 20 0 BGADHM CC[C@@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000082879811 345790432 /nfs/dbraw/zinc/79/04/32/345790432.db2.gz AJNJDSNQZDCRBZ-SSDOTTSWSA-N -1 3 227.691 3.030 20 0 BGADHM CC[C@H](C)C(=O)Nc1ccc([O-])cc1Cl ZINC000082879812 345790195 /nfs/dbraw/zinc/79/01/95/345790195.db2.gz AJNJDSNQZDCRBZ-ZETCQYMHSA-N -1 3 227.691 3.030 20 0 BGADHM CCCCC(=O)Nc1ccc([O-])cc1Cl ZINC000082879814 345790159 /nfs/dbraw/zinc/79/01/59/345790159.db2.gz IHQDRNLQIDFBPS-UHFFFAOYSA-N -1 3 227.691 3.174 20 0 BGADHM CC(C)(C)CC(=O)Nc1ccc([O-])cc1Cl ZINC000082879816 345790352 /nfs/dbraw/zinc/79/03/52/345790352.db2.gz WYWCXPLGGCBKKI-UHFFFAOYSA-N -1 3 241.718 3.420 20 0 BGADHM CC(C)CCC(=O)Nc1ccc([O-])cc1Cl ZINC000082879818 345790527 /nfs/dbraw/zinc/79/05/27/345790527.db2.gz ORZVRTNDBWFULM-UHFFFAOYSA-N -1 3 241.718 3.420 20 0 BGADHM Cc1cccc(C(=O)Nc2ccsc2)c1[O-] ZINC000083142178 384746415 /nfs/dbraw/zinc/74/64/15/384746415.db2.gz VSRJHYIBNHRVLI-UHFFFAOYSA-N -1 3 233.292 3.014 20 0 BGADHM CC(C)CC(C)(C)C(=O)Nc1ccccc1[O-] ZINC000084622139 166776807 /nfs/dbraw/zinc/77/68/07/166776807.db2.gz GYUZAYHWJJHFIG-UHFFFAOYSA-N -1 3 235.327 3.403 20 0 BGADHM CCC(C)(C)C(=O)Nc1ccc([O-])cc1Cl ZINC000084844564 344478910 /nfs/dbraw/zinc/47/89/10/344478910.db2.gz RBOAHLZLFICHJL-UHFFFAOYSA-N -1 3 241.718 3.420 20 0 BGADHM O=C(NCCC1=CCCCC1)c1cccc([O-])c1 ZINC000084847122 384903320 /nfs/dbraw/zinc/90/33/20/384903320.db2.gz AXNPPCCOWGECOH-UHFFFAOYSA-N -1 3 245.322 3.013 20 0 BGADHM CC[C@@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000085069753 384915262 /nfs/dbraw/zinc/91/52/62/384915262.db2.gz HCBFGMWGMGDVDM-NEPJUHHUSA-N -1 3 247.338 3.091 20 0 BGADHM CC[C@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000085069754 384914291 /nfs/dbraw/zinc/91/42/91/384914291.db2.gz HCBFGMWGMGDVDM-RYUDHWBXSA-N -1 3 247.338 3.091 20 0 BGADHM CC[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000085069755 384913797 /nfs/dbraw/zinc/91/37/97/384913797.db2.gz HCBFGMWGMGDVDM-VXGBXAGGSA-N -1 3 247.338 3.091 20 0 BGADHM CC[C@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000085069756 384915939 /nfs/dbraw/zinc/91/59/39/384915939.db2.gz HCBFGMWGMGDVDM-NWDGAFQWSA-N -1 3 247.338 3.091 20 0 BGADHM CC[C@@H]1CCC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000085069773 388083840 /nfs/dbraw/zinc/08/38/40/388083840.db2.gz FXONKPHNVKWNFU-YPMHNXCESA-N -1 3 247.338 3.091 20 0 BGADHM CC[C@H]1CCC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000085069774 388083415 /nfs/dbraw/zinc/08/34/15/388083415.db2.gz FXONKPHNVKWNFU-AAEUAGOBSA-N -1 3 247.338 3.091 20 0 BGADHM CC[C@@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000085069775 388083836 /nfs/dbraw/zinc/08/38/36/388083836.db2.gz FXONKPHNVKWNFU-DGCLKSJQSA-N -1 3 247.338 3.091 20 0 BGADHM CC[C@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000085069776 388084051 /nfs/dbraw/zinc/08/40/51/388084051.db2.gz FXONKPHNVKWNFU-WCQYABFASA-N -1 3 247.338 3.091 20 0 BGADHM O=C(Nc1ccc([O-])cc1F)C1CCCCC1 ZINC000085203675 388085400 /nfs/dbraw/zinc/08/54/00/388085400.db2.gz GNVMIQKCSRSVJQ-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM O=C(CC1CCCC1)Nc1ccc([O-])cc1F ZINC000085203718 388085388 /nfs/dbraw/zinc/08/53/88/388085388.db2.gz UNXJJMAVCSOGNK-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM O=C(CC1=CCCCC1)Nc1ccc([O-])cc1F ZINC000085203737 388085008 /nfs/dbraw/zinc/08/50/08/388085008.db2.gz LSADPZBARSHVLI-UHFFFAOYSA-N -1 3 249.285 3.360 20 0 BGADHM CC(C)CCO[N-]C(=O)CCCc1ccccc1 ZINC000085262360 644438731 /nfs/dbraw/zinc/43/87/31/644438731.db2.gz UUXZJSNLFFXMMO-UHFFFAOYSA-N -1 3 249.354 3.103 20 0 BGADHM CC(C)CO[N-]C(=O)CCC1CCCCC1 ZINC000085262699 644438058 /nfs/dbraw/zinc/43/80/58/644438058.db2.gz TYBPSUKNPFVOBE-UHFFFAOYSA-N -1 3 227.348 3.051 20 0 BGADHM Cc1cccc(-c2nc(C3CCC3)no2)c1[O-] ZINC000086492328 491062029 /nfs/dbraw/zinc/06/20/29/491062029.db2.gz VHYWQBYISLGUJA-UHFFFAOYSA-N -1 3 230.267 3.018 20 0 BGADHM Cc1ccc(-c2nc(C3CCC3)no2)c([O-])c1 ZINC000086492330 491062065 /nfs/dbraw/zinc/06/20/65/491062065.db2.gz IVHSHGJSYJUNMD-UHFFFAOYSA-N -1 3 230.267 3.018 20 0 BGADHM Cc1ccc([O-])c(-c2nc(C3CCC3)no2)c1 ZINC000086492337 491062016 /nfs/dbraw/zinc/06/20/16/491062016.db2.gz XLLIBRSWQLVUCL-UHFFFAOYSA-N -1 3 230.267 3.018 20 0 BGADHM CCC(CC)(CC)NC(=O)c1cccc([O-])c1 ZINC000086645798 168318005 /nfs/dbraw/zinc/31/80/05/168318005.db2.gz RCKAYGBPNUTWKK-UHFFFAOYSA-N -1 3 235.327 3.091 20 0 BGADHM CCC(CC)(CC)NC(=O)c1ccccc1[O-] ZINC000086645804 256797364 /nfs/dbraw/zinc/79/73/64/256797364.db2.gz AGZHOJQDJVNXJW-UHFFFAOYSA-N -1 3 235.327 3.091 20 0 BGADHM CC1(C)CCCN(C(=O)c2cccc([O-])c2)CC1 ZINC000087658488 383859051 /nfs/dbraw/zinc/85/90/51/383859051.db2.gz FHYHJETWXCHLRA-UHFFFAOYSA-N -1 3 247.338 3.045 20 0 BGADHM CC1(C)CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000087658496 383859278 /nfs/dbraw/zinc/85/92/78/383859278.db2.gz UAIIMRLUZQFRKN-UHFFFAOYSA-N -1 3 247.338 3.045 20 0 BGADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000088302029 384666657 /nfs/dbraw/zinc/66/66/57/384666657.db2.gz KWHMKIFVYRHQMD-ZYHUDNBSSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000088302030 384668052 /nfs/dbraw/zinc/66/80/52/384668052.db2.gz KWHMKIFVYRHQMD-CMPLNLGQSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000088302031 259353599 /nfs/dbraw/zinc/35/35/99/259353599.db2.gz KWHMKIFVYRHQMD-PWSUYJOCSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@H](C)C[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000088302032 259353557 /nfs/dbraw/zinc/35/35/57/259353557.db2.gz KWHMKIFVYRHQMD-JQWIXIFHSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000088302041 259353595 /nfs/dbraw/zinc/35/35/95/259353595.db2.gz VOWXWEPPELRKQI-ZYHUDNBSSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@H](C)C[C@@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000088302042 259353586 /nfs/dbraw/zinc/35/35/86/259353586.db2.gz VOWXWEPPELRKQI-CMPLNLGQSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@@H](C)C[C@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000088302043 259353597 /nfs/dbraw/zinc/35/35/97/259353597.db2.gz VOWXWEPPELRKQI-PWSUYJOCSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@H](C)C[C@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000088302044 259353576 /nfs/dbraw/zinc/35/35/76/259353576.db2.gz VOWXWEPPELRKQI-JQWIXIFHSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000088302082 259353570 /nfs/dbraw/zinc/35/35/70/259353570.db2.gz PBYHGUIBLWRXLR-ZYHUDNBSSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@H](C)C[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000088302083 259353584 /nfs/dbraw/zinc/35/35/84/259353584.db2.gz PBYHGUIBLWRXLR-CMPLNLGQSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@@H](C)C[C@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000088302084 259353581 /nfs/dbraw/zinc/35/35/81/259353581.db2.gz PBYHGUIBLWRXLR-PWSUYJOCSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@H](C)C[C@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000088302085 259353578 /nfs/dbraw/zinc/35/35/78/259353578.db2.gz PBYHGUIBLWRXLR-JQWIXIFHSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@@H](C)CSc1n[n-]c(-c2ccccn2)n1 ZINC000088500535 359963165 /nfs/dbraw/zinc/96/31/65/359963165.db2.gz QCEXEUDGDLUXPA-SECBINFHSA-N -1 3 248.355 3.005 20 0 BGADHM CC[C@H](C)CSc1n[n-]c(-c2ccccn2)n1 ZINC000088500536 359963325 /nfs/dbraw/zinc/96/33/25/359963325.db2.gz QCEXEUDGDLUXPA-VIFPVBQESA-N -1 3 248.355 3.005 20 0 BGADHM CCc1onc(C)c1[N-]C(=O)c1cc(C)c(C)o1 ZINC000089399970 325665457 /nfs/dbraw/zinc/66/54/57/325665457.db2.gz UBAPLZOLYMKHPB-UHFFFAOYSA-N -1 3 248.282 3.008 20 0 BGADHM C[C@@H](OC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000090712938 644603293 /nfs/dbraw/zinc/60/32/93/644603293.db2.gz GQMJRBJIQKXIPN-LLVKDONJSA-N -1 3 242.274 3.310 20 0 BGADHM Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)c([O-])c1 ZINC000091492365 360116960 /nfs/dbraw/zinc/11/69/60/360116960.db2.gz AWFORHPTHSQGFY-UHFFFAOYSA-N -1 3 247.338 3.321 20 0 BGADHM Cc1cc(F)cc(NC(=O)c2cccc([O-])c2)c1 ZINC000091516341 360119776 /nfs/dbraw/zinc/11/97/76/360119776.db2.gz ZVKFVAKUNLKQPU-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM CC(C)CCN(C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC000091781067 488065390 /nfs/dbraw/zinc/06/53/90/488065390.db2.gz WBBJVPMEFUHIBI-JTQLQIEISA-N -1 3 239.315 3.017 20 0 BGADHM CC(C)CCN(C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000091781071 488065214 /nfs/dbraw/zinc/06/52/14/488065214.db2.gz WBBJVPMEFUHIBI-SNVBAGLBSA-N -1 3 239.315 3.017 20 0 BGADHM Cc1ccc(NCc2nc(C)ccc2[O-])c(C)c1 ZINC000091993454 178767097 /nfs/dbraw/zinc/76/70/97/178767097.db2.gz GRHYSLDVXXCWRT-UHFFFAOYSA-N -1 3 242.322 3.325 20 0 BGADHM Cc1ccc([O-])c(CNc2cccc(Cl)c2)n1 ZINC000091993505 360145095 /nfs/dbraw/zinc/14/50/95/360145095.db2.gz RUDOQAANFUVSAC-UHFFFAOYSA-N -1 3 248.713 3.361 20 0 BGADHM Cc1ccc([O-])c(CNc2ccc(Cl)cc2)n1 ZINC000091993507 360144607 /nfs/dbraw/zinc/14/46/07/360144607.db2.gz YCZBCHCDDVUHFV-UHFFFAOYSA-N -1 3 248.713 3.361 20 0 BGADHM Cc1ccc([O-])c(CNc2ccccc2Cl)n1 ZINC000091993514 360145087 /nfs/dbraw/zinc/14/50/87/360145087.db2.gz JYCATGQZWDBZTP-UHFFFAOYSA-N -1 3 248.713 3.361 20 0 BGADHM Cc1ccc([O-])c(CNc2cc(F)ccc2C)n1 ZINC000091993520 360144906 /nfs/dbraw/zinc/14/49/06/360144906.db2.gz SLGCTPOQCWLRIY-UHFFFAOYSA-N -1 3 246.285 3.155 20 0 BGADHM Cc1ccc([O-])c(CNc2ccc(C)c(F)c2)n1 ZINC000091993521 360144784 /nfs/dbraw/zinc/14/47/84/360144784.db2.gz ZGYHQLRUSOEVRF-UHFFFAOYSA-N -1 3 246.285 3.155 20 0 BGADHM CCc1ccccc1NCc1nc(C)ccc1[O-] ZINC000091993522 384158180 /nfs/dbraw/zinc/15/81/80/384158180.db2.gz NGDOCLJHPJYEON-UHFFFAOYSA-N -1 3 242.322 3.270 20 0 BGADHM Cc1ccc(C)c(NCc2nc(C)ccc2[O-])c1 ZINC000091993524 384159417 /nfs/dbraw/zinc/15/94/17/384159417.db2.gz MFFDBWGWXBVRPK-UHFFFAOYSA-N -1 3 242.322 3.325 20 0 BGADHM Cc1ccc([O-])c(CNc2ccccc2C)n1 ZINC000091993525 360145124 /nfs/dbraw/zinc/14/51/24/360145124.db2.gz LATZNDJURZYGHK-UHFFFAOYSA-N -1 3 228.295 3.016 20 0 BGADHM Cc1ccc(NCc2nc(C)ccc2[O-])c(F)c1 ZINC000091993586 360145107 /nfs/dbraw/zinc/14/51/07/360145107.db2.gz KCMHDCGNTHXVMC-UHFFFAOYSA-N -1 3 246.285 3.155 20 0 BGADHM Cc1ccc(F)c(NCc2nc(C)ccc2[O-])c1 ZINC000091993597 360144842 /nfs/dbraw/zinc/14/48/42/360144842.db2.gz NTBLHXXHASYKDP-UHFFFAOYSA-N -1 3 246.285 3.155 20 0 BGADHM Cc1ccc([O-])c(CNc2cccc(F)c2C)n1 ZINC000091995123 360144331 /nfs/dbraw/zinc/14/43/31/360144331.db2.gz CCCGRAHLJLNAKX-UHFFFAOYSA-N -1 3 246.285 3.155 20 0 BGADHM Cc1ccc([O-])c(CNc2ccc(F)c(C)c2)n1 ZINC000091995335 360144691 /nfs/dbraw/zinc/14/46/91/360144691.db2.gz CUVDFINGHRKCMN-UHFFFAOYSA-N -1 3 246.285 3.155 20 0 BGADHM Cc1ccc([O-])c(CN[C@@H](C)c2ccsc2)n1 ZINC000091995346 538105799 /nfs/dbraw/zinc/10/57/99/538105799.db2.gz ZWVLZFGCTQDSBQ-JTQLQIEISA-N -1 3 248.351 3.008 20 0 BGADHM Cc1ccc([O-])c(CN[C@H](C)c2ccsc2)n1 ZINC000091995347 538105784 /nfs/dbraw/zinc/10/57/84/538105784.db2.gz ZWVLZFGCTQDSBQ-SNVBAGLBSA-N -1 3 248.351 3.008 20 0 BGADHM Cc1cc(F)cc(NCc2nc(C)ccc2[O-])c1 ZINC000091995837 360145076 /nfs/dbraw/zinc/14/50/76/360145076.db2.gz GHRHXGUCUKYGBY-UHFFFAOYSA-N -1 3 246.285 3.155 20 0 BGADHM CC[C@@H](C)CN(CC)C(=O)c1ccc(C)cc1[O-] ZINC000093255349 384224073 /nfs/dbraw/zinc/22/40/73/384224073.db2.gz UFFFJJVXYBJRIB-LLVKDONJSA-N -1 3 249.354 3.209 20 0 BGADHM CC[C@H](C)CN(CC)C(=O)c1ccc(C)cc1[O-] ZINC000093255350 171277762 /nfs/dbraw/zinc/27/77/62/171277762.db2.gz UFFFJJVXYBJRIB-NSHDSACASA-N -1 3 249.354 3.209 20 0 BGADHM CC[C@@H](C)CN(CC)C(=O)c1cc(C)ccc1[O-] ZINC000093263905 386381960 /nfs/dbraw/zinc/38/19/60/386381960.db2.gz UQRPKJVXQLQTBU-LLVKDONJSA-N -1 3 249.354 3.209 20 0 BGADHM CC[C@H](C)CN(CC)C(=O)c1cc(C)ccc1[O-] ZINC000093263906 386380534 /nfs/dbraw/zinc/38/05/34/386380534.db2.gz UQRPKJVXQLQTBU-NSHDSACASA-N -1 3 249.354 3.209 20 0 BGADHM CC1(c2nc(-c3ccc([O-])cc3)no2)CCCC1 ZINC000093492711 168073461 /nfs/dbraw/zinc/07/34/61/168073461.db2.gz JNIJKSVIJUITNY-UHFFFAOYSA-N -1 3 244.294 3.274 20 0 BGADHM CCC1(CC)CN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000093967912 636047417 /nfs/dbraw/zinc/04/74/17/636047417.db2.gz YEQKVZDCNCACDA-UHFFFAOYSA-N -1 3 247.338 3.007 20 0 BGADHM Cc1cscc1C(=O)Nc1ccc(C)cc1[O-] ZINC000094239615 325770854 /nfs/dbraw/zinc/77/08/54/325770854.db2.gz OAHJWUMEVYKGKL-UHFFFAOYSA-N -1 3 247.319 3.323 20 0 BGADHM Cc1ccc(C(=O)N[C@@H]2CCCC2(C)C)c([O-])c1 ZINC000094273020 386941493 /nfs/dbraw/zinc/94/14/93/386941493.db2.gz GUHMSAQGLHAXEH-CYBMUJFWSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc(C(=O)N[C@H]2CCCC2(C)C)c([O-])c1 ZINC000094273021 386941346 /nfs/dbraw/zinc/94/13/46/386941346.db2.gz GUHMSAQGLHAXEH-ZDUSSCGKSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCCC2(C)C)c1 ZINC000094273022 386940401 /nfs/dbraw/zinc/94/04/01/386940401.db2.gz BAPJMORPMKBYHJ-CYBMUJFWSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCCC2(C)C)c1 ZINC000094273023 386941397 /nfs/dbraw/zinc/94/13/97/386941397.db2.gz BAPJMORPMKBYHJ-ZDUSSCGKSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc(C(=O)N[C@@H]2CCCC2(C)C)c1[O-] ZINC000094273030 256638724 /nfs/dbraw/zinc/63/87/24/256638724.db2.gz ZZDGVQFZASTWOQ-GFCCVEGCSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc(C(=O)N[C@H]2CCCC2(C)C)c1[O-] ZINC000094273031 386941471 /nfs/dbraw/zinc/94/14/71/386941471.db2.gz ZZDGVQFZASTWOQ-LBPRGKRZSA-N -1 3 247.338 3.009 20 0 BGADHM CC1(C)CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000094330193 356800415 /nfs/dbraw/zinc/80/04/15/356800415.db2.gz HEXDRMHUZMNMSS-ZDUSSCGKSA-N -1 3 247.338 3.091 20 0 BGADHM CC1(C)CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000094330194 356800448 /nfs/dbraw/zinc/80/04/48/356800448.db2.gz HEXDRMHUZMNMSS-CYBMUJFWSA-N -1 3 247.338 3.091 20 0 BGADHM CC1(C)CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000094330209 360303782 /nfs/dbraw/zinc/30/37/82/360303782.db2.gz KJBRVUXAMFTPJZ-ZDUSSCGKSA-N -1 3 247.338 3.091 20 0 BGADHM CC1(C)CCCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000094330210 360304057 /nfs/dbraw/zinc/30/40/57/360304057.db2.gz KJBRVUXAMFTPJZ-CYBMUJFWSA-N -1 3 247.338 3.091 20 0 BGADHM CCC1(CC)CCN(C(=O)c2cccc([O-])c2)C1 ZINC000094803791 384314580 /nfs/dbraw/zinc/31/45/80/384314580.db2.gz SRQUIGWDMIBALR-UHFFFAOYSA-N -1 3 247.338 3.045 20 0 BGADHM CCC1(CC)CCN(C(=O)c2ccccc2[O-])C1 ZINC000094803800 384312554 /nfs/dbraw/zinc/31/25/54/384312554.db2.gz XZYSZHSXSSXITM-UHFFFAOYSA-N -1 3 247.338 3.045 20 0 BGADHM CCCCCC(C)(C)C[N-]C(=O)C(F)(F)F ZINC000094819058 644731109 /nfs/dbraw/zinc/73/11/09/644731109.db2.gz OTBRAHIYUDCBOZ-UHFFFAOYSA-N -1 3 239.281 3.271 20 0 BGADHM Cc1ccc(NC(=O)C2(C)CCCC2)c([O-])c1 ZINC000094904094 360326333 /nfs/dbraw/zinc/32/63/33/360326333.db2.gz VUXAFZIZPPBRKI-UHFFFAOYSA-N -1 3 233.311 3.219 20 0 BGADHM CC1(C(=O)Nc2ccc([O-])cc2F)CCCC1 ZINC000094904173 360326147 /nfs/dbraw/zinc/32/61/47/360326147.db2.gz MOQZQQWHFGOJGG-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM CCC1(C(=O)[N-]OCc2ccccc2)CCCC1 ZINC000094905068 635504910 /nfs/dbraw/zinc/50/49/10/635504910.db2.gz AFCSURFZGZQLSC-UHFFFAOYSA-N -1 3 247.338 3.205 20 0 BGADHM Cc1ccc(C(=O)NC[C@@H](C)C(C)(C)C)c([O-])c1 ZINC000096604808 644825195 /nfs/dbraw/zinc/82/51/95/644825195.db2.gz JVPCYGJNNXJVDN-LLVKDONJSA-N -1 3 249.354 3.113 20 0 BGADHM Cc1ccc(C(=O)NC[C@H](C)C(C)(C)C)c([O-])c1 ZINC000096604810 644825478 /nfs/dbraw/zinc/82/54/78/644825478.db2.gz JVPCYGJNNXJVDN-NSHDSACASA-N -1 3 249.354 3.113 20 0 BGADHM Cc1scc(C(=O)Nc2ccccc2[O-])c1C ZINC000096747684 322977870 /nfs/dbraw/zinc/97/78/70/322977870.db2.gz IHMPUYANYFKJRH-UHFFFAOYSA-N -1 3 247.319 3.323 20 0 BGADHM Cc1coc(C)c1C(=O)Nc1ccc(C)cc1[O-] ZINC000096786909 360354917 /nfs/dbraw/zinc/35/49/17/360354917.db2.gz FYRNVHXIODOQGK-UHFFFAOYSA-N -1 3 245.278 3.163 20 0 BGADHM C/C=C/COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000097109484 644871936 /nfs/dbraw/zinc/87/19/36/644871936.db2.gz MVCKHWCRIUVTTA-NSCUHMNNSA-N -1 3 234.082 3.054 20 0 BGADHM CCO[N-]C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000103177434 585068493 /nfs/dbraw/zinc/06/84/93/585068493.db2.gz LMDYQCYDKJEGEV-UHFFFAOYSA-N -1 3 249.097 3.066 20 0 BGADHM Cc1ccc(NCc2nc(C)ccc2[O-])cc1 ZINC000103343304 384763383 /nfs/dbraw/zinc/76/33/83/384763383.db2.gz OJDCMLZIBCPPJB-UHFFFAOYSA-N -1 3 228.295 3.016 20 0 BGADHM CC[C@@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000103667806 586288527 /nfs/dbraw/zinc/28/85/27/586288527.db2.gz UXOLGPIGXXMHFZ-RXMQYKEDSA-N -1 3 236.098 3.277 20 0 BGADHM CC[C@H](C)OC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000103667811 586288353 /nfs/dbraw/zinc/28/83/53/586288353.db2.gz UXOLGPIGXXMHFZ-YFKPBYRVSA-N -1 3 236.098 3.277 20 0 BGADHM CC(=O)c1sc(-c2ccccc2[O-])nc1C ZINC000104113716 384656051 /nfs/dbraw/zinc/65/60/51/384656051.db2.gz LUVOJFLWMOBVBL-UHFFFAOYSA-N -1 3 233.292 3.027 20 0 BGADHM Cc1cccc(-c2nc(CCC(C)C)no2)c1[O-] ZINC000104414432 387512422 /nfs/dbraw/zinc/51/24/22/387512422.db2.gz DZYXNTSUZSLHHH-UHFFFAOYSA-N -1 3 246.310 3.339 20 0 BGADHM Cc1ccc(-c2nc(CCC(C)C)no2)c([O-])c1 ZINC000104415799 178333824 /nfs/dbraw/zinc/33/38/24/178333824.db2.gz ZQMZOTHXQXVZID-UHFFFAOYSA-N -1 3 246.310 3.339 20 0 BGADHM Cc1ccc([O-])c(C(=O)NCC2(C)CCCC2)c1 ZINC000104434929 387514575 /nfs/dbraw/zinc/51/45/75/387514575.db2.gz YFMOAXBLYHLTLJ-UHFFFAOYSA-N -1 3 247.338 3.011 20 0 BGADHM CC[C@@H](CC(=O)Nc1ccccc1[O-])C(C)C ZINC000104827524 358425458 /nfs/dbraw/zinc/42/54/58/358425458.db2.gz CMXIUYPMZJNOHP-NSHDSACASA-N -1 3 235.327 3.403 20 0 BGADHM CC[C@H](CC(=O)Nc1ccccc1[O-])C(C)C ZINC000104827528 358425774 /nfs/dbraw/zinc/42/57/74/358425774.db2.gz CMXIUYPMZJNOHP-LLVKDONJSA-N -1 3 235.327 3.403 20 0 BGADHM CCCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000106149440 635263360 /nfs/dbraw/zinc/26/33/60/635263360.db2.gz DRTXTMUUDDWMEW-UHFFFAOYSA-N -1 3 236.098 3.278 20 0 BGADHM O=C(CC1=CCCCC1)[N-]OCc1ccccc1 ZINC000106731611 588310357 /nfs/dbraw/zinc/31/03/57/588310357.db2.gz PMDXFLAQSOTYQU-UHFFFAOYSA-N -1 3 245.322 3.125 20 0 BGADHM O=C(CC1=CCCCC1)Nc1ccccc1[O-] ZINC000106902607 384940692 /nfs/dbraw/zinc/94/06/92/384940692.db2.gz MDOUXKOBELCHMO-UHFFFAOYSA-N -1 3 231.295 3.221 20 0 BGADHM CC(C)CCN(C(=O)c1ccccc1[O-])C1CC1 ZINC000107202775 388601019 /nfs/dbraw/zinc/60/10/19/388601019.db2.gz CMSPTIAYEZPQEI-UHFFFAOYSA-N -1 3 247.338 3.043 20 0 BGADHM Cc1cccc(C[S@@](=O)c2ccc([O-])cc2)c1 ZINC000108084072 384178810 /nfs/dbraw/zinc/17/88/10/384178810.db2.gz WZMSTRRMWPXQCE-KRWDZBQOSA-N -1 3 246.331 3.008 20 0 BGADHM Cc1cccc(C[S@](=O)c2ccc([O-])cc2)c1 ZINC000108084074 187930306 /nfs/dbraw/zinc/93/03/06/187930306.db2.gz WZMSTRRMWPXQCE-QGZVFWFLSA-N -1 3 246.331 3.008 20 0 BGADHM Cc1ccccc1C[S@@](=O)c1ccc([O-])cc1 ZINC000108085392 179291592 /nfs/dbraw/zinc/29/15/92/179291592.db2.gz FDVISEMMBIMJJI-KRWDZBQOSA-N -1 3 246.331 3.008 20 0 BGADHM Cc1ccccc1C[S@](=O)c1ccc([O-])cc1 ZINC000108085394 179293111 /nfs/dbraw/zinc/29/31/11/179293111.db2.gz FDVISEMMBIMJJI-QGZVFWFLSA-N -1 3 246.331 3.008 20 0 BGADHM Cc1ccc(C[S@@](=O)c2ccc([O-])cc2)cc1 ZINC000108086630 384184811 /nfs/dbraw/zinc/18/48/11/384184811.db2.gz SRAOGJRHTAFXRI-KRWDZBQOSA-N -1 3 246.331 3.008 20 0 BGADHM Cc1ccc(C[S@](=O)c2ccc([O-])cc2)cc1 ZINC000108086634 188459385 /nfs/dbraw/zinc/45/93/85/188459385.db2.gz SRAOGJRHTAFXRI-QGZVFWFLSA-N -1 3 246.331 3.008 20 0 BGADHM CO[N-]C(=O)CC1CCC(c2ccccc2)CC1 ZINC000108256764 588452576 /nfs/dbraw/zinc/45/25/76/588452576.db2.gz DUKDZSPMOPBLOM-UHFFFAOYSA-N -1 3 247.338 3.028 20 0 BGADHM Cc1[n-]n(C2CCCCCC2)c(=O)c1C(C)C ZINC000108459895 635876141 /nfs/dbraw/zinc/87/61/41/635876141.db2.gz IXDWIGFMYWVPCF-CYBMUJFWSA-N -1 3 236.359 3.200 20 0 BGADHM Cc1[n-]n(C2CCCCCC2)c(=O)c1C(C)C ZINC000108459897 635875267 /nfs/dbraw/zinc/87/52/67/635875267.db2.gz IXDWIGFMYWVPCF-ZDUSSCGKSA-N -1 3 236.359 3.200 20 0 BGADHM Cc1cccc(-c2nc(C(C)(C)C)no2)c1[O-] ZINC000109036894 385131196 /nfs/dbraw/zinc/13/11/96/385131196.db2.gz JRFQBLQFSRAKNV-UHFFFAOYSA-N -1 3 232.283 3.048 20 0 BGADHM Cc1ccc(-c2nc(C(C)(C)C)no2)c([O-])c1 ZINC000109036907 178332402 /nfs/dbraw/zinc/33/24/02/178332402.db2.gz PWXPTIDOUHXPSO-UHFFFAOYSA-N -1 3 232.283 3.048 20 0 BGADHM Cc1ccc([O-])c(-c2nc(C(C)(C)C)no2)c1 ZINC000109036914 385132352 /nfs/dbraw/zinc/13/23/52/385132352.db2.gz YSNXMBWFHXHFEW-UHFFFAOYSA-N -1 3 232.283 3.048 20 0 BGADHM [O-]c1ccccc1-c1nc(-c2ccsc2)no1 ZINC000109037393 183300784 /nfs/dbraw/zinc/30/07/84/183300784.db2.gz KPNIIRRLNCLJCY-UHFFFAOYSA-N -1 3 244.275 3.171 20 0 BGADHM CCc1ccc([O-])c(C(=O)NCCC(C)(C)C)c1 ZINC000109828574 385194310 /nfs/dbraw/zinc/19/43/10/385194310.db2.gz CJHGVMVEGDWXDO-UHFFFAOYSA-N -1 3 249.354 3.121 20 0 BGADHM Cc1ccc(NC(=O)/C=C/C(C)(C)C)c([O-])c1 ZINC000109984143 187293258 /nfs/dbraw/zinc/29/32/58/187293258.db2.gz ZBLWZWWRFQGYHA-BQYQJAHWSA-N -1 3 233.311 3.241 20 0 BGADHM Cc1cccc(C(=O)NCC2(C)CCCC2)c1[O-] ZINC000111617360 323162165 /nfs/dbraw/zinc/16/21/65/323162165.db2.gz DPYLRVXFISLTKL-UHFFFAOYSA-N -1 3 247.338 3.011 20 0 BGADHM Cc1ccc(C(=O)NCC2(C)CCCC2)c([O-])c1 ZINC000111617365 323162190 /nfs/dbraw/zinc/16/21/90/323162190.db2.gz QNNYMPGTSGIZPB-UHFFFAOYSA-N -1 3 247.338 3.011 20 0 BGADHM Cc1cccc(-c2nc(C3CCCC3)no2)c1[O-] ZINC000111686569 383877005 /nfs/dbraw/zinc/87/70/05/383877005.db2.gz LWAWQWZFXVYGJK-UHFFFAOYSA-N -1 3 244.294 3.408 20 0 BGADHM [O-]c1ccccc1-c1nc(C2CCCC2)no1 ZINC000111686594 183300721 /nfs/dbraw/zinc/30/07/21/183300721.db2.gz YHIXZNWPZNRIRS-UHFFFAOYSA-N -1 3 230.267 3.100 20 0 BGADHM Cc1ccc(-c2nc(C3CCCC3)no2)c([O-])c1 ZINC000111686597 178334123 /nfs/dbraw/zinc/33/41/23/178334123.db2.gz BPQPANUKBNXGND-UHFFFAOYSA-N -1 3 244.294 3.408 20 0 BGADHM Cc1ccc([O-])c(-c2nc(C3CCCC3)no2)c1 ZINC000111686604 387085834 /nfs/dbraw/zinc/08/58/34/387085834.db2.gz MAJPFPFARODERH-UHFFFAOYSA-N -1 3 244.294 3.408 20 0 BGADHM CCc1noc(-c2cc3ccccc3cc2[O-])n1 ZINC000111687478 323162572 /nfs/dbraw/zinc/16/25/72/323162572.db2.gz QFPOMKZGWMMAKP-UHFFFAOYSA-N -1 3 240.262 3.158 20 0 BGADHM Cc1cccc(-c2nc(-c3ccco3)no2)c1[O-] ZINC000111688242 323162563 /nfs/dbraw/zinc/16/25/63/323162563.db2.gz QQROIFOSPVJJKB-UHFFFAOYSA-N -1 3 242.234 3.011 20 0 BGADHM Cc1ccc(-c2nc(-c3ccco3)no2)c([O-])c1 ZINC000111688265 323162577 /nfs/dbraw/zinc/16/25/77/323162577.db2.gz BSJXUXNFGALZNM-UHFFFAOYSA-N -1 3 242.234 3.011 20 0 BGADHM Cc1ccc([O-])c(-c2nc(-c3ccco3)no2)c1 ZINC000111688271 323162610 /nfs/dbraw/zinc/16/26/10/323162610.db2.gz JLBZSFVEJMDYQD-UHFFFAOYSA-N -1 3 242.234 3.011 20 0 BGADHM CC(C)CCc1noc(-c2ccccc2[O-])n1 ZINC000111689255 344598549 /nfs/dbraw/zinc/59/85/49/344598549.db2.gz AXMIAYOQZRDVPW-UHFFFAOYSA-N -1 3 232.283 3.031 20 0 BGADHM Cc1ccc([O-])c(-c2nc(CCC(C)C)no2)c1 ZINC000111689267 323162710 /nfs/dbraw/zinc/16/27/10/323162710.db2.gz NWRILSCJLFBRPB-UHFFFAOYSA-N -1 3 246.310 3.339 20 0 BGADHM Cc1[n-]n(-c2ccc(F)cc2C)c(=O)c1C(C)C ZINC000111739174 641694149 /nfs/dbraw/zinc/69/41/49/641694149.db2.gz CAAVHJKDBIYBOG-CYBMUJFWSA-N -1 3 248.301 3.129 20 0 BGADHM Cc1[n-]n(-c2ccc(F)cc2C)c(=O)c1C(C)C ZINC000111739176 641694245 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JPJLSULJYYIJMK-UHFFFAOYSA-N -1 3 230.263 3.112 20 0 BGADHM Clc1cc(-c2nc(C3CC3)no2)[n-]c1Cl ZINC000113713206 490425055 /nfs/dbraw/zinc/42/50/55/490425055.db2.gz ZNRHPQDJSFXQPE-UHFFFAOYSA-N -1 3 244.081 3.249 20 0 BGADHM Cc1ccc(COC(=O)c2ccc([O-])cc2)cc1 ZINC000114670484 588879410 /nfs/dbraw/zinc/87/94/10/588879410.db2.gz BYFJLAHGKYACPI-UHFFFAOYSA-N -1 3 242.274 3.058 20 0 BGADHM CCCCCOC(=O)c1cc2occc2[n-]1 ZINC000115386645 645636087 /nfs/dbraw/zinc/63/60/87/645636087.db2.gz LQPWJLAPWAWELR-UHFFFAOYSA-N -1 3 221.256 3.108 20 0 BGADHM CC(C)CCCOC(=O)c1cc2occc2[n-]1 ZINC000115387179 645634777 /nfs/dbraw/zinc/63/47/77/645634777.db2.gz CXQWOBPWQZNTCO-UHFFFAOYSA-N -1 3 235.283 3.354 20 0 BGADHM O=C(OCc1ccccc1)c1cc2occc2[n-]1 ZINC000115387199 645634880 /nfs/dbraw/zinc/63/48/80/645634880.db2.gz BTHHHPSHUPKCIZ-UHFFFAOYSA-N -1 3 241.246 3.118 20 0 BGADHM O=C(CCC1CC1)Nc1cc(Cl)ccc1[O-] ZINC000115710482 384095110 /nfs/dbraw/zinc/09/51/10/384095110.db2.gz FOIKKZGZIZRGBB-UHFFFAOYSA-N -1 3 239.702 3.174 20 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CCCCC(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000116980795 344738596 /nfs/dbraw/zinc/73/85/96/344738596.db2.gz SKPNMHVLORRXTO-UHFFFAOYSA-N -1 3 241.718 3.483 20 0 BGADHM CC(C)CCSc1n[n-]c(-c2ccccn2)n1 ZINC000117112809 387010748 /nfs/dbraw/zinc/01/07/48/387010748.db2.gz HKURLTZVDVSKLA-UHFFFAOYSA-N -1 3 248.355 3.005 20 0 BGADHM CCCCCSc1n[n-]c(-c2ccccn2)n1 ZINC000117114447 387010804 /nfs/dbraw/zinc/01/08/04/387010804.db2.gz RIIKRMJQNVGPPB-UHFFFAOYSA-N -1 3 248.355 3.149 20 0 BGADHM O=C(/C=C/C1CCCCC1)Nc1ccccc1[O-] ZINC000118761053 589193236 /nfs/dbraw/zinc/19/32/36/589193236.db2.gz JORMBPCWYRFBGX-ZHACJKMWSA-N -1 3 245.322 3.467 20 0 BGADHM CC1CCC(=CC(=O)Nc2ccccc2[O-])CC1 ZINC000118761116 589193193 /nfs/dbraw/zinc/19/31/93/589193193.db2.gz AILGXZVCNJIQNP-UHFFFAOYSA-N -1 3 245.322 3.467 20 0 BGADHM Cc1cc([O-])ccc1C(=O)OCc1ccccc1 ZINC000118779288 583858383 /nfs/dbraw/zinc/85/83/83/583858383.db2.gz XLVFAKYWMJJUNE-UHFFFAOYSA-N -1 3 242.274 3.058 20 0 BGADHM CCC(C)(CC)C(=O)Nc1ccc([O-])cc1F ZINC000118984871 487518997 /nfs/dbraw/zinc/51/89/97/487518997.db2.gz RKJRUTASQMYZPD-UHFFFAOYSA-N -1 3 239.290 3.296 20 0 BGADHM CC(C(=O)Nc1ccc([O-])cc1F)=C1CCCC1 ZINC000119542772 589303041 /nfs/dbraw/zinc/30/30/41/589303041.db2.gz DARQHODOUDFKJG-UHFFFAOYSA-N -1 3 249.285 3.360 20 0 BGADHM CC/C(C)=C(/C)C(=O)Nc1ccc([O-])cc1F ZINC000119548280 589303088 /nfs/dbraw/zinc/30/30/88/589303088.db2.gz KPZZQMZYVXUZLB-HJWRWDBZSA-N -1 3 237.274 3.216 20 0 BGADHM CCCCN(CC)C(=O)c1ccc(C)c(C)c1[O-] ZINC000119981987 384321700 /nfs/dbraw/zinc/32/17/00/384321700.db2.gz RJLQGLTXJTVOBT-UHFFFAOYSA-N -1 3 249.354 3.271 20 0 BGADHM Cc1cc(CNCc2ccc([O-])c(F)c2)c(C)o1 ZINC000120855258 589472678 /nfs/dbraw/zinc/47/26/78/589472678.db2.gz MDYUQAXJNABPFU-UHFFFAOYSA-N -1 3 249.285 3.031 20 0 BGADHM Cc1cc(=O)[n-]c([C@@H](C)S[C@@H](C)C(C)C)n1 ZINC000121212055 324005458 /nfs/dbraw/zinc/00/54/58/324005458.db2.gz IDWVDAHTUOXULO-VHSXEESVSA-N -1 3 240.372 3.329 20 0 BGADHM Cc1cc(=O)[n-]c([C@H](C)S[C@@H](C)C(C)C)n1 ZINC000121212207 324005316 /nfs/dbraw/zinc/00/53/16/324005316.db2.gz IDWVDAHTUOXULO-UWVGGRQHSA-N -1 3 240.372 3.329 20 0 BGADHM Cc1cc(=O)[n-]c([C@@H](C)S[C@H](C)C(C)C)n1 ZINC000121212271 324005730 /nfs/dbraw/zinc/00/57/30/324005730.db2.gz IDWVDAHTUOXULO-NXEZZACHSA-N -1 3 240.372 3.329 20 0 BGADHM Cc1cc(=O)[n-]c([C@H](C)S[C@H](C)C(C)C)n1 ZINC000121212379 324005478 /nfs/dbraw/zinc/00/54/78/324005478.db2.gz IDWVDAHTUOXULO-ZJUUUORDSA-N -1 3 240.372 3.329 20 0 BGADHM CC[C@@H](C)CS[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000121819825 324023028 /nfs/dbraw/zinc/02/30/28/324023028.db2.gz VBONPNIDLRFMNA-SCZZXKLOSA-N -1 3 240.372 3.331 20 0 BGADHM CC[C@H](C)CS[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000121819976 324023205 /nfs/dbraw/zinc/02/32/05/324023205.db2.gz VBONPNIDLRFMNA-WPRPVWTQSA-N -1 3 240.372 3.331 20 0 BGADHM CC[C@@H](C)CS[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000121820099 324022804 /nfs/dbraw/zinc/02/28/04/324022804.db2.gz VBONPNIDLRFMNA-PSASIEDQSA-N -1 3 240.372 3.331 20 0 BGADHM CC[C@H](C)CS[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000121820237 324022911 /nfs/dbraw/zinc/02/29/11/324022911.db2.gz VBONPNIDLRFMNA-WCBMZHEXSA-N -1 3 240.372 3.331 20 0 BGADHM CC(C)Cc1noc(/C=C/c2cccc([O-])c2)n1 ZINC000122509096 324046858 /nfs/dbraw/zinc/04/68/58/324046858.db2.gz MWCWGOKLIXOXIM-VOTSOKGWSA-N -1 3 244.294 3.144 20 0 BGADHM CC1(C(=O)[N-]OCc2ccccc2)CCCCC1 ZINC000122907364 589643642 /nfs/dbraw/zinc/64/36/42/589643642.db2.gz JDUCGYFAEPFMTK-UHFFFAOYSA-N -1 3 247.338 3.205 20 0 BGADHM CC(C)CO[N-]C(=O)Nc1cccc(Cl)c1 ZINC000123373866 191073738 /nfs/dbraw/zinc/07/37/38/191073738.db2.gz AXHMETVSIPODNQ-UHFFFAOYSA-N -1 3 242.706 3.049 20 0 BGADHM CC(C)(C)CCC(=O)Nc1ccc([O-])cc1F ZINC000124291130 387610741 /nfs/dbraw/zinc/61/07/41/387610741.db2.gz XUDQPMKPVPXYPK-UHFFFAOYSA-N -1 3 239.290 3.296 20 0 BGADHM CCC1(C(=O)Nc2ccc([O-])cc2F)CCC1 ZINC000124506072 387620402 /nfs/dbraw/zinc/62/04/02/387620402.db2.gz KIPPPOZBRRHKLC-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM CCC(=CC(=O)Nc1ccc([O-])cc1F)CC ZINC000124594800 590060295 /nfs/dbraw/zinc/06/02/95/590060295.db2.gz LYKHIIZLIXVCRV-UHFFFAOYSA-N -1 3 237.274 3.216 20 0 BGADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000124620624 387626383 /nfs/dbraw/zinc/62/63/83/387626383.db2.gz BTDZZUMBBRZPCP-RKDXNWHRSA-N -1 3 239.290 3.152 20 0 BGADHM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000124620845 171360914 /nfs/dbraw/zinc/36/09/14/171360914.db2.gz BTDZZUMBBRZPCP-DTWKUNHWSA-N -1 3 239.290 3.152 20 0 BGADHM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000124621120 387624909 /nfs/dbraw/zinc/62/49/09/387624909.db2.gz BTDZZUMBBRZPCP-BDAKNGLRSA-N -1 3 239.290 3.152 20 0 BGADHM CC[C@H](C)[C@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000124621303 171385643 /nfs/dbraw/zinc/38/56/43/171385643.db2.gz BTDZZUMBBRZPCP-IUCAKERBSA-N -1 3 239.290 3.152 20 0 BGADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(C)ccc1[O-] ZINC000124662075 171051953 /nfs/dbraw/zinc/05/19/53/171051953.db2.gz BXUKTIPSXXHITA-NWDGAFQWSA-N -1 3 247.338 3.104 20 0 BGADHM CC[C@H]1CC[C@H](C)N1C(=O)c1cc(C)ccc1[O-] ZINC000124662254 384668700 /nfs/dbraw/zinc/66/87/00/384668700.db2.gz BXUKTIPSXXHITA-RYUDHWBXSA-N -1 3 247.338 3.104 20 0 BGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(C)ccc1[O-] ZINC000124662463 171035644 /nfs/dbraw/zinc/03/56/44/171035644.db2.gz BXUKTIPSXXHITA-VXGBXAGGSA-N -1 3 247.338 3.104 20 0 BGADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(C)ccc1[O-] ZINC000124662648 384667496 /nfs/dbraw/zinc/66/74/96/384667496.db2.gz BXUKTIPSXXHITA-NEPJUHHUSA-N -1 3 247.338 3.104 20 0 BGADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(C)cc1[O-] ZINC000124711669 388665821 /nfs/dbraw/zinc/66/58/21/388665821.db2.gz ZDVWCTRZWPICLZ-NWDGAFQWSA-N -1 3 247.338 3.104 20 0 BGADHM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(C)cc1[O-] ZINC000124711909 388665780 /nfs/dbraw/zinc/66/57/80/388665780.db2.gz ZDVWCTRZWPICLZ-RYUDHWBXSA-N -1 3 247.338 3.104 20 0 BGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(C)cc1[O-] ZINC000124712071 323164540 /nfs/dbraw/zinc/16/45/40/323164540.db2.gz ZDVWCTRZWPICLZ-VXGBXAGGSA-N -1 3 247.338 3.104 20 0 BGADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(C)cc1[O-] ZINC000124712299 388666218 /nfs/dbraw/zinc/66/62/18/388666218.db2.gz ZDVWCTRZWPICLZ-NEPJUHHUSA-N -1 3 247.338 3.104 20 0 BGADHM CCCCN(CC)C(=O)c1cccc(CC)c1[O-] ZINC000124813358 388665393 /nfs/dbraw/zinc/66/53/93/388665393.db2.gz MGOSHILAPKBDAC-UHFFFAOYSA-N -1 3 249.354 3.217 20 0 BGADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cccc(C)c1[O-] ZINC000124879611 171052763 /nfs/dbraw/zinc/05/27/63/171052763.db2.gz ZUXVWTWXOVFENK-NWDGAFQWSA-N -1 3 247.338 3.104 20 0 BGADHM CC[C@H]1CC[C@H](C)N1C(=O)c1cccc(C)c1[O-] ZINC000124879784 384681507 /nfs/dbraw/zinc/68/15/07/384681507.db2.gz ZUXVWTWXOVFENK-RYUDHWBXSA-N -1 3 247.338 3.104 20 0 BGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cccc(C)c1[O-] ZINC000124879947 171035523 /nfs/dbraw/zinc/03/55/23/171035523.db2.gz ZUXVWTWXOVFENK-VXGBXAGGSA-N -1 3 247.338 3.104 20 0 BGADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cccc(C)c1[O-] ZINC000124880108 384681743 /nfs/dbraw/zinc/68/17/43/384681743.db2.gz ZUXVWTWXOVFENK-NEPJUHHUSA-N -1 3 247.338 3.104 20 0 BGADHM CCc1ccccc1C(=O)Nc1ccccc1[O-] ZINC000125146502 387646897 /nfs/dbraw/zinc/64/68/97/387646897.db2.gz ISXNYEZNHGZRBI-UHFFFAOYSA-N -1 3 241.290 3.207 20 0 BGADHM CC(C(=O)Nc1ccccc1[O-])=C1CCCC1 ZINC000125601747 590173368 /nfs/dbraw/zinc/17/33/68/590173368.db2.gz UNHXBJVJWXVNMA-UHFFFAOYSA-N -1 3 231.295 3.221 20 0 BGADHM CC(C(=O)Nc1cc(F)ccc1[O-])=C1CCCC1 ZINC000125827622 384752919 /nfs/dbraw/zinc/75/29/19/384752919.db2.gz PBLOWLMXFNVNEW-UHFFFAOYSA-N -1 3 249.285 3.360 20 0 BGADHM CC(C)n1cccc1C(=O)Nc1ccccc1[O-] ZINC000125911457 388681820 /nfs/dbraw/zinc/68/18/20/388681820.db2.gz MFXIPFDROHHNMB-UHFFFAOYSA-N -1 3 244.294 3.027 20 0 BGADHM CCC[C@H](C(=O)Nc1ccccc1[O-])C(C)C ZINC000125915866 388682365 /nfs/dbraw/zinc/68/23/65/388682365.db2.gz DDEPPCWVXUXZGD-NSHDSACASA-N -1 3 235.327 3.403 20 0 BGADHM CCC[C@@H](C(=O)Nc1ccccc1[O-])C(C)C ZINC000125916105 324664800 /nfs/dbraw/zinc/66/48/00/324664800.db2.gz DDEPPCWVXUXZGD-LLVKDONJSA-N -1 3 235.327 3.403 20 0 BGADHM O=C(Nc1cc(Cl)ccc1[O-])C1=CCCC1 ZINC000126469210 388695942 /nfs/dbraw/zinc/69/59/42/388695942.db2.gz PLMISMPHGNGRTC-UHFFFAOYSA-N -1 3 237.686 3.094 20 0 BGADHM CC(C)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000126715439 635982737 /nfs/dbraw/zinc/98/27/37/635982737.db2.gz OSUNSSVRECLWLZ-UHFFFAOYSA-N -1 3 236.098 3.134 20 0 BGADHM CCC(=CC(=O)Nc1ccc(C)cc1[O-])CC ZINC000126825605 168195089 /nfs/dbraw/zinc/19/50/89/168195089.db2.gz IVXQCCZQXLNVHR-UHFFFAOYSA-N -1 3 233.311 3.386 20 0 BGADHM Cc1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000128334284 324827096 /nfs/dbraw/zinc/82/70/96/324827096.db2.gz MEADIPOZKNHAON-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1ccccc1C(=O)Nc1cccc([O-])c1F ZINC000128335168 388748970 /nfs/dbraw/zinc/74/89/70/388748970.db2.gz ULPACSBSWVMTLJ-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM CCC1(C(=O)Nc2cccc([O-])c2F)CCC1 ZINC000128344751 388750024 /nfs/dbraw/zinc/75/00/24/388750024.db2.gz PMUMMPQMZDOEGG-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM CC(C(=O)Nc1cccc([O-])c1F)=C1CCCC1 ZINC000128346116 591000117 /nfs/dbraw/zinc/00/01/17/591000117.db2.gz PLRBRPLOQHAGDF-UHFFFAOYSA-N -1 3 249.285 3.360 20 0 BGADHM CC(C)CO[N-]C(=O)CC1(C)CCCCC1 ZINC000128351030 591001235 /nfs/dbraw/zinc/00/12/35/591001235.db2.gz HPOIIKDIORJOBA-UHFFFAOYSA-N -1 3 227.348 3.051 20 0 BGADHM CCC(=CC(=O)Nc1cccc([O-])c1F)CC ZINC000128442905 645832567 /nfs/dbraw/zinc/83/25/67/645832567.db2.gz XTBQEAKBAOLLNC-UHFFFAOYSA-N -1 3 237.274 3.216 20 0 BGADHM O=C(Nc1cccc([O-])c1F)C1CCCCC1 ZINC000128457486 388761260 /nfs/dbraw/zinc/76/12/60/388761260.db2.gz JYAXSDDVBRYCKF-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM Cc1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC000128460988 388762257 /nfs/dbraw/zinc/76/22/57/388762257.db2.gz XRRNZZNJPHGWPG-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM O=C(CC1CCCC1)Nc1cccc([O-])c1F ZINC000128706999 343908288 /nfs/dbraw/zinc/90/82/88/343908288.db2.gz GUFGIRFMNSBOPK-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM Cc1ccc(NC(=O)C[C@@H]2CC[C@H](C)C2)c([O-])c1 ZINC000128872648 324893546 /nfs/dbraw/zinc/89/35/46/324893546.db2.gz PRWTVJUXJJCTAL-CMPLNLGQSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)C[C@H]2CC[C@H](C)C2)c([O-])c1 ZINC000128872906 388802252 /nfs/dbraw/zinc/80/22/52/388802252.db2.gz PRWTVJUXJJCTAL-JQWIXIFHSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)C[C@@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000128873116 388801344 /nfs/dbraw/zinc/80/13/44/388801344.db2.gz PRWTVJUXJJCTAL-ZYHUDNBSSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)C[C@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000128873330 388801899 /nfs/dbraw/zinc/80/18/99/388801899.db2.gz PRWTVJUXJJCTAL-PWSUYJOCSA-N -1 3 247.338 3.465 20 0 BGADHM CCC(CC)CC(=O)Nc1ccc(C)cc1[O-] ZINC000128873822 388802273 /nfs/dbraw/zinc/80/22/73/388802273.db2.gz DFIAYWPIIDYFNP-UHFFFAOYSA-N -1 3 235.327 3.465 20 0 BGADHM C[C@@H]1CC[C@H](CC(=O)Nc2ccccc2[O-])C1 ZINC000128927873 176222937 /nfs/dbraw/zinc/22/29/37/176222937.db2.gz XJPKCZIVOXLDSW-MNOVXSKESA-N -1 3 233.311 3.157 20 0 BGADHM C[C@H]1CC[C@H](CC(=O)Nc2ccccc2[O-])C1 ZINC000128928106 177201368 /nfs/dbraw/zinc/20/13/68/177201368.db2.gz XJPKCZIVOXLDSW-QWRGUYRKSA-N -1 3 233.311 3.157 20 0 BGADHM C[C@@H]1CC[C@@H](CC(=O)Nc2ccccc2[O-])C1 ZINC000128928317 176201335 /nfs/dbraw/zinc/20/13/35/176201335.db2.gz XJPKCZIVOXLDSW-GHMZBOCLSA-N -1 3 233.311 3.157 20 0 BGADHM C[C@H]1CC[C@@H](CC(=O)Nc2ccccc2[O-])C1 ZINC000128928504 177188221 /nfs/dbraw/zinc/18/82/21/177188221.db2.gz XJPKCZIVOXLDSW-WDEREUQCSA-N -1 3 233.311 3.157 20 0 BGADHM CCC(CC)CC(=O)Nc1ccccc1[O-] ZINC000128928937 388804512 /nfs/dbraw/zinc/80/45/12/388804512.db2.gz CBBKRXDMMOPRTJ-UHFFFAOYSA-N -1 3 221.300 3.157 20 0 BGADHM O=C(CC1=CCCCC1)Nc1cccc([O-])c1F ZINC000129344901 324939015 /nfs/dbraw/zinc/93/90/15/324939015.db2.gz SFTQWDVZJNKQOO-UHFFFAOYSA-N -1 3 249.285 3.360 20 0 BGADHM CC(C)(C)/C=C/C(=O)Nc1cccc([O-])c1F ZINC000129352380 388833471 /nfs/dbraw/zinc/83/34/71/388833471.db2.gz KYYKXTXQPOFHJS-BQYQJAHWSA-N -1 3 237.274 3.072 20 0 BGADHM CC(C)(C)CCC(=O)Nc1cccc([O-])c1F ZINC000129360372 343988384 /nfs/dbraw/zinc/98/83/84/343988384.db2.gz FJYKLTXPEZNCNB-UHFFFAOYSA-N -1 3 239.290 3.296 20 0 BGADHM O=C(Nc1ccccc1[O-])C1=CCCCCC1 ZINC000129367636 182380618 /nfs/dbraw/zinc/38/06/18/182380618.db2.gz AFBYWHVTEXTXRM-UHFFFAOYSA-N -1 3 231.295 3.221 20 0 BGADHM CC/C=C(/C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000129438949 398340162 /nfs/dbraw/zinc/34/01/62/398340162.db2.gz XUUGBOXLEUETHU-YWEYNIOJSA-N -1 3 239.702 3.340 20 0 BGADHM O=C(CCC1CCC1)Nc1cccc([O-])c1F ZINC000129596704 324964952 /nfs/dbraw/zinc/96/49/52/324964952.db2.gz CLPNOAQJACFARU-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM Cc1ccc(NC(=O)CCC(C)(C)C)c([O-])c1 ZINC000130223982 325026354 /nfs/dbraw/zinc/02/63/54/325026354.db2.gz BFCBIOFFRFCBHE-UHFFFAOYSA-N -1 3 235.327 3.465 20 0 BGADHM C[C@H](C(=O)Nc1ccccc1[O-])c1ccsc1 ZINC000130260529 358986752 /nfs/dbraw/zinc/98/67/52/358986752.db2.gz CWSGGXSPDWPWOT-VIFPVBQESA-N -1 3 247.319 3.196 20 0 BGADHM C[C@@H](C(=O)Nc1ccccc1[O-])c1ccsc1 ZINC000130260743 358986652 /nfs/dbraw/zinc/98/66/52/358986652.db2.gz CWSGGXSPDWPWOT-SECBINFHSA-N -1 3 247.319 3.196 20 0 BGADHM CC(C)(C)CCC(=O)Nc1ccccc1[O-] ZINC000130262915 358986729 /nfs/dbraw/zinc/98/67/29/358986729.db2.gz UVNAFSQCXDOECU-UHFFFAOYSA-N -1 3 221.300 3.157 20 0 BGADHM C[C@H](C(=O)Nc1ccccc1[O-])c1cccs1 ZINC000130263136 325031788 /nfs/dbraw/zinc/03/17/88/325031788.db2.gz SINBHIHLJHVRCX-VIFPVBQESA-N -1 3 247.319 3.196 20 0 BGADHM C[C@@H](C(=O)Nc1ccccc1[O-])c1cccs1 ZINC000130263337 325032032 /nfs/dbraw/zinc/03/20/32/325032032.db2.gz SINBHIHLJHVRCX-SECBINFHSA-N -1 3 247.319 3.196 20 0 BGADHM CCCCCCC(=O)Nc1ccc([O-])cc1F ZINC000130330262 591459364 /nfs/dbraw/zinc/45/93/64/591459364.db2.gz LLCGFCPPMFDGOP-UHFFFAOYSA-N -1 3 239.290 3.440 20 0 BGADHM Cc1ccc(-c2nc(C(C)C)no2)c([O-])c1C ZINC000130523538 325062964 /nfs/dbraw/zinc/06/29/64/325062964.db2.gz WCFLLIDOVZLYEE-UHFFFAOYSA-N -1 3 232.283 3.182 20 0 BGADHM O=C(Nc1ccccc1)c1cc2occc2[n-]1 ZINC000130538842 591480892 /nfs/dbraw/zinc/48/08/92/591480892.db2.gz WLCIBMDTOIIOST-UHFFFAOYSA-N -1 3 226.235 3.013 20 0 BGADHM CN(C(=O)c1cc2occc2[n-]1)c1ccccc1 ZINC000130539063 591480477 /nfs/dbraw/zinc/48/04/77/591480477.db2.gz GHYRZHGGHIDIOU-UHFFFAOYSA-N -1 3 240.262 3.038 20 0 BGADHM Cc1cccc(NC(=O)c2cc3occc3[n-]2)c1 ZINC000130539969 591481102 /nfs/dbraw/zinc/48/11/02/591481102.db2.gz ZDYVSTDJADTAFO-UHFFFAOYSA-N -1 3 240.262 3.322 20 0 BGADHM O=C(Nc1ccc(F)cc1)c1cc2occc2[n-]1 ZINC000130541396 591481182 /nfs/dbraw/zinc/48/11/82/591481182.db2.gz VEPPQJTZKANQEL-UHFFFAOYSA-N -1 3 244.225 3.152 20 0 BGADHM O=C(Nc1cccc(F)c1)c1cc2occc2[n-]1 ZINC000130544348 591481177 /nfs/dbraw/zinc/48/11/77/591481177.db2.gz GTHWCEBCQHLKHX-UHFFFAOYSA-N -1 3 244.225 3.152 20 0 BGADHM O=C(Nc1ccccc1F)c1cc2occc2[n-]1 ZINC000130549210 591481070 /nfs/dbraw/zinc/48/10/70/591481070.db2.gz OBHPVNUQJLKCMX-UHFFFAOYSA-N -1 3 244.225 3.152 20 0 BGADHM Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)co1 ZINC000130591737 325069729 /nfs/dbraw/zinc/06/97/29/325069729.db2.gz PGKVUPSMOIWBFO-UHFFFAOYSA-N -1 3 242.234 3.011 20 0 BGADHM CC(C)c1noc(-c2cc(Cl)c(Cl)[n-]2)n1 ZINC000130854141 591530750 /nfs/dbraw/zinc/53/07/50/591530750.db2.gz BATMJASQYGHWSF-UHFFFAOYSA-N -1 3 246.097 3.495 20 0 BGADHM O=C(C=C1CCC1)Nc1cc(Cl)ccc1[O-] ZINC000131030569 591542644 /nfs/dbraw/zinc/54/26/44/591542644.db2.gz IRMLHPCPIAWFIR-UHFFFAOYSA-N -1 3 237.686 3.094 20 0 BGADHM CC(C)CCCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000131266567 490627225 /nfs/dbraw/zinc/62/72/25/490627225.db2.gz BCRGZJTXWWVBOX-UHFFFAOYSA-N -1 3 247.338 3.137 20 0 BGADHM CC(C)(C)CCN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000131274521 490626604 /nfs/dbraw/zinc/62/66/04/490626604.db2.gz MRSVXBVWNASSMV-UHFFFAOYSA-N -1 3 247.338 3.137 20 0 BGADHM CCC[C@@H](C)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000131293301 632455938 /nfs/dbraw/zinc/45/59/38/632455938.db2.gz PUKVOLKKYPRWSL-LLVKDONJSA-N -1 3 247.338 3.137 20 0 BGADHM CCC[C@H](C)CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000131293513 643542948 /nfs/dbraw/zinc/54/29/48/643542948.db2.gz PUKVOLKKYPRWSL-NSHDSACASA-N -1 3 247.338 3.137 20 0 BGADHM CC(=O)[N-]OCc1ccc(C2CCCCC2)cc1 ZINC000131372823 591605793 /nfs/dbraw/zinc/60/57/93/591605793.db2.gz SAHDZZORKOWQLM-UHFFFAOYSA-N -1 3 247.338 3.302 20 0 BGADHM CCN(Cc1nc(C)ccc1[O-])c1ccccc1 ZINC000131750578 535390136 /nfs/dbraw/zinc/39/01/36/535390136.db2.gz VIKJPGMXJJNTHA-UHFFFAOYSA-N -1 3 242.322 3.122 20 0 BGADHM CC(C)c1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000131751046 591650767 /nfs/dbraw/zinc/65/07/67/591650767.db2.gz PYZYJQGPNLWFGI-VMPITWQZSA-N -1 3 240.306 3.064 20 0 BGADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000131775742 325182887 /nfs/dbraw/zinc/18/28/87/325182887.db2.gz DLORUEVHAIILGQ-QMTHXVAHSA-N -1 3 233.311 3.075 20 0 BGADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000131775930 325183025 /nfs/dbraw/zinc/18/30/25/325183025.db2.gz DLORUEVHAIILGQ-YGRLFVJLSA-N -1 3 233.311 3.075 20 0 BGADHM CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000131776122 325183004 /nfs/dbraw/zinc/18/30/04/325183004.db2.gz DLORUEVHAIILGQ-IINYFYTJSA-N -1 3 233.311 3.075 20 0 BGADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000131776344 325183186 /nfs/dbraw/zinc/18/31/86/325183186.db2.gz DLORUEVHAIILGQ-HZMBPMFUSA-N -1 3 233.311 3.075 20 0 BGADHM O=C(Nc1cc(F)ccc1[O-])C1=CCCCCC1 ZINC000131941101 343259521 /nfs/dbraw/zinc/25/95/21/343259521.db2.gz XOEWQWSFNVQANU-UHFFFAOYSA-N -1 3 249.285 3.360 20 0 BGADHM O=C(Nc1ccc([O-])cc1F)C1=CCCCCC1 ZINC000132039457 343401104 /nfs/dbraw/zinc/40/11/04/343401104.db2.gz VRCONFPMOJHRNF-UHFFFAOYSA-N -1 3 249.285 3.360 20 0 BGADHM O=C(Nc1ccsc1)c1cc2occc2[n-]1 ZINC000132215428 591693267 /nfs/dbraw/zinc/69/32/67/591693267.db2.gz NZGHPKMGSGMGIM-UHFFFAOYSA-N -1 3 232.264 3.075 20 0 BGADHM CCC[C@@H](C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000132331128 371794230 /nfs/dbraw/zinc/79/42/30/371794230.db2.gz OBIWXOSXQJAKOC-SNVBAGLBSA-N -1 3 235.327 3.465 20 0 BGADHM CCC[C@H](C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000132331306 371793369 /nfs/dbraw/zinc/79/33/69/371793369.db2.gz OBIWXOSXQJAKOC-JTQLQIEISA-N -1 3 235.327 3.465 20 0 BGADHM CCCCN(CC)C(=O)c1cc(CC)ccc1[O-] ZINC000132332414 325211480 /nfs/dbraw/zinc/21/14/80/325211480.db2.gz JOMJHRJBFITPCX-UHFFFAOYSA-N -1 3 249.354 3.217 20 0 BGADHM CCC[C@@H](C)CC(=O)Nc1ccccc1[O-] ZINC000132343368 358719364 /nfs/dbraw/zinc/71/93/64/358719364.db2.gz MVRDMSAKGDWYHP-SNVBAGLBSA-N -1 3 221.300 3.157 20 0 BGADHM CCC[C@H](C)CC(=O)Nc1ccccc1[O-] ZINC000132343532 358719224 /nfs/dbraw/zinc/71/92/24/358719224.db2.gz MVRDMSAKGDWYHP-JTQLQIEISA-N -1 3 221.300 3.157 20 0 BGADHM CCc1ccc([O-])c(C(=O)N(C)CCC(C)C)c1 ZINC000132525966 371852771 /nfs/dbraw/zinc/85/27/71/371852771.db2.gz DAKJKKYAJHHECW-UHFFFAOYSA-N -1 3 249.354 3.073 20 0 BGADHM C[C@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000132567905 325225426 /nfs/dbraw/zinc/22/54/26/325225426.db2.gz BBXUQFBXPPTVIT-NSHDSACASA-N -1 3 241.290 3.134 20 0 BGADHM C[C@@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000132568101 325225685 /nfs/dbraw/zinc/22/56/85/325225685.db2.gz BBXUQFBXPPTVIT-LLVKDONJSA-N -1 3 241.290 3.134 20 0 BGADHM Cc1cccc(N(C)Cc2nc(C)ccc2[O-])c1 ZINC000132849635 358738039 /nfs/dbraw/zinc/73/80/39/358738039.db2.gz JVKSIBHQSMXCPH-UHFFFAOYSA-N -1 3 242.322 3.040 20 0 BGADHM CCc1noc(C)c1[N-]C(=O)c1cc(C)c(C)o1 ZINC000133211834 325277767 /nfs/dbraw/zinc/27/77/67/325277767.db2.gz ZANPIAVCLYUVOF-UHFFFAOYSA-N -1 3 248.282 3.008 20 0 BGADHM Cc1cc(Cl)cc(NC(=O)C2(C)CC2)c1[O-] ZINC000133501267 384170281 /nfs/dbraw/zinc/17/02/81/384170281.db2.gz NQJFSSJHBDUVLX-UHFFFAOYSA-N -1 3 239.702 3.093 20 0 BGADHM CCCC(C)(C)NC(=O)c1cccc(C)c1[O-] ZINC000133700541 325310747 /nfs/dbraw/zinc/31/07/47/325310747.db2.gz RAYQTORFHYCCQG-UHFFFAOYSA-N -1 3 235.327 3.009 20 0 BGADHM CCCC(C)(C)NC(=O)c1cc(C)ccc1[O-] ZINC000133701906 325310674 /nfs/dbraw/zinc/31/06/74/325310674.db2.gz HGTRXJBWIQBENW-UHFFFAOYSA-N -1 3 235.327 3.009 20 0 BGADHM CCCC(C)(C)NC(=O)c1ccc(C)cc1[O-] ZINC000133702823 323176262 /nfs/dbraw/zinc/17/62/62/323176262.db2.gz LJYXVYWRFSBGIB-UHFFFAOYSA-N -1 3 235.327 3.009 20 0 BGADHM Cc1cc(C(=O)Nc2ccc(C)cc2[O-])oc1C ZINC000133849736 325324369 /nfs/dbraw/zinc/32/43/69/325324369.db2.gz XQVUIPKJMCDROJ-UHFFFAOYSA-N -1 3 245.278 3.163 20 0 BGADHM CCCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134197548 358782809 /nfs/dbraw/zinc/78/28/09/358782809.db2.gz RNPSQOOHQMRBIR-UHFFFAOYSA-N -1 3 247.216 3.150 20 0 BGADHM CCc1cc(C)c(C(=O)Nc2ccccc2[O-])o1 ZINC000134224902 325349290 /nfs/dbraw/zinc/34/92/90/325349290.db2.gz XCZDNEBWMOLYPO-UHFFFAOYSA-N -1 3 245.278 3.108 20 0 BGADHM CCO[N-]C(=O)Nc1cc(Cl)ccc1Cl ZINC000134511487 591932017 /nfs/dbraw/zinc/93/20/17/591932017.db2.gz QETDKYGOIQTZOB-UHFFFAOYSA-N -1 3 249.097 3.066 20 0 BGADHM CC[C@@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC000134722949 325373181 /nfs/dbraw/zinc/37/31/81/325373181.db2.gz DTWLMKABMQWBQF-GFCCVEGCSA-N -1 3 247.338 3.187 20 0 BGADHM CC[C@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC000134722968 325373360 /nfs/dbraw/zinc/37/33/60/325373360.db2.gz DTWLMKABMQWBQF-LBPRGKRZSA-N -1 3 247.338 3.187 20 0 BGADHM CCC(C)(CC)C(=O)Nc1cc(F)ccc1[O-] ZINC000135075913 538114681 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[O-]c1cccc(CN2CCCCC2)c1Cl ZINC000139297342 345793830 /nfs/dbraw/zinc/79/38/30/345793830.db2.gz PVJPTJKWYFYFFP-UHFFFAOYSA-N -1 3 225.719 3.032 20 0 BGADHM Cc1ccc(C(=O)Nc2ccccc2[O-])c(F)c1 ZINC000143093800 384312871 /nfs/dbraw/zinc/31/28/71/384312871.db2.gz YNEXPZBQRZDROJ-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1ncnc(C)c1-c1ccc([O-])cc1Cl ZINC000149515062 342794277 /nfs/dbraw/zinc/79/42/77/342794277.db2.gz NIIQFZXCOZUSQM-UHFFFAOYSA-N -1 3 234.686 3.119 20 0 BGADHM CC1(C)CCC[C@H](NC(=O)c2cccc([O-])c2)C1 ZINC000150001276 384489362 /nfs/dbraw/zinc/48/93/62/384489362.db2.gz UNSRSOSSADDVAD-LBPRGKRZSA-N -1 3 247.338 3.091 20 0 BGADHM CC1(C)CCC[C@@H](NC(=O)c2cccc([O-])c2)C1 ZINC000150001514 384489755 /nfs/dbraw/zinc/48/97/55/384489755.db2.gz UNSRSOSSADDVAD-GFCCVEGCSA-N -1 3 247.338 3.091 20 0 BGADHM CC1(C)CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000150003031 344419331 /nfs/dbraw/zinc/41/93/31/344419331.db2.gz CGYNCMOTWFZYOO-NSHDSACASA-N -1 3 247.338 3.091 20 0 BGADHM 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BGADHM CCC(CC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153419327 388970882 /nfs/dbraw/zinc/97/08/82/388970882.db2.gz RIMDDWISYAKZJM-UHFFFAOYSA-N -1 3 241.718 3.420 20 0 BGADHM Cc1ccc(CCCC(=O)[N-]OCC(C)C)cc1 ZINC000153423168 641787656 /nfs/dbraw/zinc/78/76/56/641787656.db2.gz BQECJRGFYYBIJJ-UHFFFAOYSA-N -1 3 249.354 3.022 20 0 BGADHM O=C(CCC1CC1)Nc1ccc(Cl)cc1[O-] ZINC000153441079 181903530 /nfs/dbraw/zinc/90/35/30/181903530.db2.gz ACRHVTNWYYKRRG-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM CC(C)(C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153496492 387890708 /nfs/dbraw/zinc/89/07/08/387890708.db2.gz YUMXSXMCOJETAO-UHFFFAOYSA-N -1 3 227.691 3.030 20 0 BGADHM CCCCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153502814 385256868 /nfs/dbraw/zinc/25/68/68/385256868.db2.gz IJKDTEVAQDWDLL-UHFFFAOYSA-N -1 3 227.691 3.174 20 0 BGADHM CC(C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153503791 385258010 /nfs/dbraw/zinc/25/80/10/385258010.db2.gz HEIHEPBUJUXIFC-UHFFFAOYSA-N -1 3 227.691 3.030 20 0 BGADHM CC(C)CO[N-]C(=O)CC/C=C/c1ccccc1 ZINC000153508338 188157819 /nfs/dbraw/zinc/15/78/19/188157819.db2.gz MJUBRVAHFSOVKR-UXBLZVDNSA-N -1 3 247.338 3.184 20 0 BGADHM Cc1cc(F)ccc1C(=O)Nc1ccccc1[O-] ZINC000153531340 344898181 /nfs/dbraw/zinc/89/81/81/344898181.db2.gz IBONYDFUTLCSTP-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM CC[C@@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153533444 385260458 /nfs/dbraw/zinc/26/04/58/385260458.db2.gz XKPXCPSRPRSIOF-SSDOTTSWSA-N -1 3 227.691 3.030 20 0 BGADHM CC[C@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153533541 171255804 /nfs/dbraw/zinc/25/58/04/171255804.db2.gz XKPXCPSRPRSIOF-ZETCQYMHSA-N -1 3 227.691 3.030 20 0 BGADHM CCC[C@@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153534759 326101050 /nfs/dbraw/zinc/10/10/50/326101050.db2.gz JXRJFUUBVXVCOU-MRVPVSSYSA-N -1 3 241.718 3.420 20 0 BGADHM CCC[C@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153534847 326101293 /nfs/dbraw/zinc/10/12/93/326101293.db2.gz JXRJFUUBVXVCOU-QMMMGPOBSA-N -1 3 241.718 3.420 20 0 BGADHM CC(C)(C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153542631 326102060 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/nfs/dbraw/zinc/25/94/86/326259486.db2.gz FANKUPMSZYWXEM-VIFPVBQESA-N -1 3 240.372 3.473 20 0 BGADHM CCC(CC)S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000157175955 326259740 /nfs/dbraw/zinc/25/97/40/326259740.db2.gz FANKUPMSZYWXEM-SECBINFHSA-N -1 3 240.372 3.473 20 0 BGADHM CCC1(C(=O)Nc2ccccc2[O-])CCCC1 ZINC000157891573 385534860 /nfs/dbraw/zinc/53/48/60/385534860.db2.gz MYZBSCIBTAGDMH-UHFFFAOYSA-N -1 3 233.311 3.301 20 0 BGADHM O=C(CCC1CCCCC1)[N-]OCC1CCC1 ZINC000157998532 641625545 /nfs/dbraw/zinc/62/55/45/641625545.db2.gz QURWOALOTGYJRH-UHFFFAOYSA-N -1 3 239.359 3.195 20 0 BGADHM Cc1ccc(C)c(NC(=O)[N-]OCC(C)C)c1 ZINC000158031132 385546121 /nfs/dbraw/zinc/54/61/21/385546121.db2.gz FVRDLJWJDNFOPB-UHFFFAOYSA-N -1 3 236.315 3.013 20 0 BGADHM Cc1cccc(NC(=O)[N-]OCC(C)C)c1C ZINC000158057696 179135427 /nfs/dbraw/zinc/13/54/27/179135427.db2.gz QJSPAWXHHMHLPW-UHFFFAOYSA-N -1 3 236.315 3.013 20 0 BGADHM Cc1ccc(NC(=O)[N-]OCC(C)C)c(C)c1 ZINC000158060992 385547980 /nfs/dbraw/zinc/54/79/80/385547980.db2.gz HLAQDWYVSRNVCQ-UHFFFAOYSA-N -1 3 236.315 3.013 20 0 BGADHM Cc1ccc(NC(=O)[N-]OCC(C)C)cc1C ZINC000158064665 385548015 /nfs/dbraw/zinc/54/80/15/385548015.db2.gz IMWZBDSKLBJGAQ-UHFFFAOYSA-N -1 3 236.315 3.013 20 0 BGADHM C=CCN(CC=C)Cc1c([O-])cccc1Cl ZINC000158134766 641626267 /nfs/dbraw/zinc/62/62/67/641626267.db2.gz NMQHARBOIRLBSA-UHFFFAOYSA-N -1 3 237.730 3.220 20 0 BGADHM Cc1cc(C)cc(NC(=O)[N-]OCC(C)C)c1 ZINC000158199316 385552901 /nfs/dbraw/zinc/55/29/01/385552901.db2.gz SQLFUOYCIVFBRP-UHFFFAOYSA-N -1 3 236.315 3.013 20 0 BGADHM Cc1cccc(C)c1NC(=O)[N-]OCC(C)C ZINC000158270157 179040745 /nfs/dbraw/zinc/04/07/45/179040745.db2.gz MTZGYCIILJATBF-UHFFFAOYSA-N -1 3 236.315 3.013 20 0 BGADHM CCCCCO[N-]C(=O)CCCc1ccccc1 ZINC000159659174 641691227 /nfs/dbraw/zinc/69/12/27/641691227.db2.gz DUCGHHMSXOUJKM-UHFFFAOYSA-N -1 3 249.354 3.247 20 0 BGADHM [O-]c1ccc(Cl)cc1/C=N/C1CC=CC1 ZINC000159849248 632542032 /nfs/dbraw/zinc/54/20/32/632542032.db2.gz DTMODHXJXLPUJH-RIYZIHGNSA-N -1 3 221.687 3.183 20 0 BGADHM CC(C)CO[N-]C(=O)CCCSC(C)(C)C ZINC000161262639 631852002 /nfs/dbraw/zinc/85/20/02/631852002.db2.gz XGMYNBQQHSGTMF-UHFFFAOYSA-N -1 3 247.404 3.002 20 0 BGADHM [O-]c1ccccc1-c1nc([C@@H]2CCCS2)no1 ZINC000161645146 183300413 /nfs/dbraw/zinc/30/04/13/183300413.db2.gz YCYVYSHRTDBYOG-JTQLQIEISA-N -1 3 248.307 3.010 20 0 BGADHM [O-]c1ccccc1-c1nc([C@H]2CCCS2)no1 ZINC000161645284 183299503 /nfs/dbraw/zinc/29/95/03/183299503.db2.gz YCYVYSHRTDBYOG-SNVBAGLBSA-N -1 3 248.307 3.010 20 0 BGADHM CC1(C)C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000161885334 387281808 /nfs/dbraw/zinc/28/18/08/387281808.db2.gz KOYSDSWAEUXMFO-QMMMGPOBSA-N -1 3 239.702 3.030 20 0 BGADHM CCC(C)(CC)C(=O)Nc1ccc(C)cc1[O-] ZINC000162109138 538920852 /nfs/dbraw/zinc/92/08/52/538920852.db2.gz VWDLSNAECYSDFM-UHFFFAOYSA-N -1 3 235.327 3.465 20 0 BGADHM Cc1cccc(C(=O)N[C@@H]2CCC(C)(C)C2)c1[O-] ZINC000162788548 202064108 /nfs/dbraw/zinc/06/41/08/202064108.db2.gz JKWATVWBFIYQAM-LLVKDONJSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc(C(=O)N[C@H]2CCC(C)(C)C2)c1[O-] ZINC000162788661 202065105 /nfs/dbraw/zinc/06/51/05/202065105.db2.gz JKWATVWBFIYQAM-NSHDSACASA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc([O-])c(C(=O)N[C@@H]2CCC(C)(C)C2)c1 ZINC000162800039 387775251 /nfs/dbraw/zinc/77/52/51/387775251.db2.gz JIAPBSQDCLSVHX-LLVKDONJSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CCC(C)(C)C2)c1 ZINC000162800159 387776595 /nfs/dbraw/zinc/77/65/95/387776595.db2.gz JIAPBSQDCLSVHX-NSHDSACASA-N -1 3 247.338 3.009 20 0 BGADHM CCC(C)(CC)C(=O)Nc1ccccc1[O-] ZINC000162900920 538925714 /nfs/dbraw/zinc/92/57/14/538925714.db2.gz VZWZSOZTDMRDLO-UHFFFAOYSA-N -1 3 221.300 3.157 20 0 BGADHM Cc1csc([N-]c2ncnc3sccc32)n1 ZINC000163077816 538926456 /nfs/dbraw/zinc/92/64/56/538926456.db2.gz SXSWEQKOIPZPSE-UHFFFAOYSA-N -1 3 248.336 3.200 20 0 BGADHM C[C@H](C(=O)Nc1ccc([O-])cc1Cl)C1CC1 ZINC000163685129 372030686 /nfs/dbraw/zinc/03/06/86/372030686.db2.gz TWKYGIIYPHGKQE-ZETCQYMHSA-N -1 3 239.702 3.030 20 0 BGADHM C[C@@H](C(=O)Nc1ccc([O-])cc1Cl)C1CC1 ZINC000163685208 372030643 /nfs/dbraw/zinc/03/06/43/372030643.db2.gz TWKYGIIYPHGKQE-SSDOTTSWSA-N -1 3 239.702 3.030 20 0 BGADHM O=C(CC1CCCCCC1)[N-]OC1CCCC1 ZINC000163899538 633066787 /nfs/dbraw/zinc/06/67/87/633066787.db2.gz UGVMJPNUAVBZRQ-UHFFFAOYSA-N -1 3 239.359 3.337 20 0 BGADHM CC[C@@H](C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000164409792 384982538 /nfs/dbraw/zinc/98/25/38/384982538.db2.gz CBNUUJGCCNMVKR-SECBINFHSA-N -1 3 221.300 3.075 20 0 BGADHM CC[C@H](C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000164409924 384981068 /nfs/dbraw/zinc/98/10/68/384981068.db2.gz CBNUUJGCCNMVKR-VIFPVBQESA-N -1 3 221.300 3.075 20 0 BGADHM CC[C@@H](C)CC(=O)Nc1ccc([O-])cc1Cl ZINC000164411921 353143639 /nfs/dbraw/zinc/14/36/39/353143639.db2.gz HLTASMIXUADAIW-MRVPVSSYSA-N -1 3 241.718 3.420 20 0 BGADHM CC[C@H](C)CC(=O)Nc1ccc([O-])cc1Cl ZINC000164412044 353143626 /nfs/dbraw/zinc/14/36/26/353143626.db2.gz HLTASMIXUADAIW-QMMMGPOBSA-N -1 3 241.718 3.420 20 0 BGADHM CC(C)CCCOc1ccc2c([O-])coc2c1 ZINC000165355051 487959850 /nfs/dbraw/zinc/95/98/50/487959850.db2.gz NCRBFDNOZCBWFR-UHFFFAOYSA-N -1 3 234.295 3.077 20 0 BGADHM Cc1occc1-c1noc(-c2ccccc2[O-])n1 ZINC000165729044 203385783 /nfs/dbraw/zinc/38/57/83/203385783.db2.gz WCWQOSZIHRSBIH-UHFFFAOYSA-N -1 3 242.234 3.011 20 0 BGADHM C=Cc1ccc(C(=O)Nc2ccccc2[O-])cc1 ZINC000165763147 388411065 /nfs/dbraw/zinc/41/10/65/388411065.db2.gz GULUNDLVGLVJLN-UHFFFAOYSA-N -1 3 239.274 3.288 20 0 BGADHM Cc1cccc(F)c1NC(=O)c1cccc([O-])c1 ZINC000166993054 206143003 /nfs/dbraw/zinc/14/30/03/206143003.db2.gz ZIUYTHUUHZYUKF-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM CCC(CC)COc1ccc2c([O-])coc2c1 ZINC000167450839 488170223 /nfs/dbraw/zinc/17/02/23/488170223.db2.gz FUUIYTQXPNPICT-UHFFFAOYSA-N -1 3 234.295 3.077 20 0 BGADHM CC[C@@H](C)CC(=O)N1CCCc2cccc([O-])c21 ZINC000167506049 385321328 /nfs/dbraw/zinc/32/13/28/385321328.db2.gz ASNJVESFSNACGF-LLVKDONJSA-N -1 3 247.338 3.108 20 0 BGADHM CC[C@H](C)CC(=O)N1CCCc2cccc([O-])c21 ZINC000167506161 385321673 /nfs/dbraw/zinc/32/16/73/385321673.db2.gz ASNJVESFSNACGF-NSHDSACASA-N -1 3 247.338 3.108 20 0 BGADHM CC[C@@H](C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000167518380 385321935 /nfs/dbraw/zinc/32/19/35/385321935.db2.gz WYZIDFQROZZYOG-SECBINFHSA-N -1 3 232.283 3.031 20 0 BGADHM CC[C@H](C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000167518498 171300597 /nfs/dbraw/zinc/30/05/97/171300597.db2.gz WYZIDFQROZZYOG-VIFPVBQESA-N -1 3 232.283 3.031 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2cccc(Cl)c2)n1 ZINC000167708626 345723326 /nfs/dbraw/zinc/72/33/26/345723326.db2.gz BJTNESHJLSUTTI-AATRIKPKSA-N -1 3 246.697 3.314 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2cccc(Cl)c2)n1 ZINC000167709227 345722875 /nfs/dbraw/zinc/72/28/75/345722875.db2.gz BJTNESHJLSUTTI-WAYWQWQTSA-N -1 3 246.697 3.314 20 0 BGADHM Cc1ccccc1COC(=O)c1ccc([O-])cc1 ZINC000168114492 640784265 /nfs/dbraw/zinc/78/42/65/640784265.db2.gz DTVQSAZZGHVNRK-UHFFFAOYSA-N -1 3 242.274 3.058 20 0 BGADHM [O-]c1ccccc1-c1nc([C@@H]2CCOC2)cs1 ZINC000169245643 134249802 /nfs/dbraw/zinc/24/98/02/134249802.db2.gz LQCKIZMDSNWILV-SECBINFHSA-N -1 3 247.319 3.020 20 0 BGADHM [O-]c1ccccc1-c1nc([C@H]2CCOC2)cs1 ZINC000169245712 134250117 /nfs/dbraw/zinc/25/01/17/134250117.db2.gz LQCKIZMDSNWILV-VIFPVBQESA-N -1 3 247.319 3.020 20 0 BGADHM [O-]c1ccc(Cl)cc1/C=N\C1CCCC1 ZINC000169434343 711833215 /nfs/dbraw/zinc/83/32/15/711833215.db2.gz ZHLOTQKPBNUFDA-ZSOIEALJSA-N -1 3 223.703 3.407 20 0 BGADHM O=C(/C=C/c1ccsc1)Nc1ccccc1[O-] ZINC000170249343 388468499 /nfs/dbraw/zinc/46/84/99/388468499.db2.gz ZRUBUNAGXSYKID-AATRIKPKSA-N -1 3 245.303 3.106 20 0 BGADHM CCCCCC[C@@H](C)CC(=O)[N-]OCC ZINC000170778397 640921680 /nfs/dbraw/zinc/92/16/80/640921680.db2.gz PRKAYKARKIDJOU-LLVKDONJSA-N -1 3 215.337 3.051 20 0 BGADHM CCCCCC[C@H](C)CC(=O)[N-]OCC ZINC000170778400 640920993 /nfs/dbraw/zinc/92/09/93/640920993.db2.gz PRKAYKARKIDJOU-NSHDSACASA-N -1 3 215.337 3.051 20 0 BGADHM CCC(C)(C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000171268099 372528892 /nfs/dbraw/zinc/52/88/92/372528892.db2.gz WBYKSUARASIVDH-UHFFFAOYSA-N -1 3 241.718 3.420 20 0 BGADHM CCc1ccc([O-])c(C(=O)N(C)C[C@@H](C)CC)c1 ZINC000171872546 384671907 /nfs/dbraw/zinc/67/19/07/384671907.db2.gz UKDVRFGRRYARCE-NSHDSACASA-N -1 3 249.354 3.073 20 0 BGADHM CCc1ccc([O-])c(C(=O)N(C)C[C@H](C)CC)c1 ZINC000171872550 384671598 /nfs/dbraw/zinc/67/15/98/384671598.db2.gz UKDVRFGRRYARCE-LLVKDONJSA-N -1 3 249.354 3.073 20 0 BGADHM CC(C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000172158410 372893049 /nfs/dbraw/zinc/89/30/49/372893049.db2.gz BYYZMKJTUYUNSZ-MRVPVSSYSA-N -1 3 241.718 3.276 20 0 BGADHM CC(C)[C@H](C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000172158412 372892921 /nfs/dbraw/zinc/89/29/21/372892921.db2.gz BYYZMKJTUYUNSZ-QMMMGPOBSA-N -1 3 241.718 3.276 20 0 BGADHM CCO[N-]C(=O)C[C@@H](C)c1ccc(C(C)C)cc1 ZINC000172330933 641055500 /nfs/dbraw/zinc/05/55/00/641055500.db2.gz QNHIDSQIMFXBKP-GFCCVEGCSA-N -1 3 249.354 3.371 20 0 BGADHM CCO[N-]C(=O)C[C@H](C)c1ccc(C(C)C)cc1 ZINC000172330935 641054666 /nfs/dbraw/zinc/05/46/66/641054666.db2.gz QNHIDSQIMFXBKP-LBPRGKRZSA-N -1 3 249.354 3.371 20 0 BGADHM O=C(CC1CCCC1)Nc1cc(F)ccc1[O-] ZINC000174868565 384845955 /nfs/dbraw/zinc/84/59/55/384845955.db2.gz KRKOTAKSFZAVLG-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM CCC[C@@H](C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000174869022 365517864 /nfs/dbraw/zinc/51/78/64/365517864.db2.gz JFWOAJOYLREVBI-SECBINFHSA-N -1 3 239.290 3.296 20 0 BGADHM CCC[C@H](C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000174869034 365518905 /nfs/dbraw/zinc/51/89/05/365518905.db2.gz JFWOAJOYLREVBI-VIFPVBQESA-N -1 3 239.290 3.296 20 0 BGADHM O=C(CC1=CCCCC1)Nc1cc(F)ccc1[O-] ZINC000174873030 365517866 /nfs/dbraw/zinc/51/78/66/365517866.db2.gz WPFKBBPIBMDOJS-UHFFFAOYSA-N -1 3 249.285 3.360 20 0 BGADHM O=C(Nc1cc(F)ccc1[O-])C1CCCCC1 ZINC000174885458 365518540 /nfs/dbraw/zinc/51/85/40/365518540.db2.gz AEASZLSILUHKJC-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM CCCCCC(=O)Nc1cc(F)ccc1[O-] ZINC000174896041 384847626 /nfs/dbraw/zinc/84/76/26/384847626.db2.gz AJELWMGXKMBYTC-UHFFFAOYSA-N -1 3 225.263 3.050 20 0 BGADHM Cc1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174897726 365517989 /nfs/dbraw/zinc/51/79/89/365517989.db2.gz PDGVBJDOCHJOEM-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1 ZINC000174898537 365518729 /nfs/dbraw/zinc/51/87/29/365518729.db2.gz ZKTCVVDWSXZPSY-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1ccc(NC(=O)CCC2CCC2)c([O-])c1 ZINC000175001503 384856883 /nfs/dbraw/zinc/85/68/83/384856883.db2.gz WCLFRZOSRVCAPN-UHFFFAOYSA-N -1 3 233.311 3.219 20 0 BGADHM Cc1cc(C)c(C(=O)Nc2ccc(C)cc2[O-])o1 ZINC000175001828 365523307 /nfs/dbraw/zinc/52/33/07/365523307.db2.gz DARRJOHWZAHDKE-UHFFFAOYSA-N -1 3 245.278 3.163 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000175060159 346442803 /nfs/dbraw/zinc/44/28/03/346442803.db2.gz TZRMKDVDXLYWIF-CMPLNLGQSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2CCC[C@H](C)C2)c([O-])c1 ZINC000175060177 374285933 /nfs/dbraw/zinc/28/59/33/374285933.db2.gz TZRMKDVDXLYWIF-JQWIXIFHSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000175060189 346442588 /nfs/dbraw/zinc/44/25/88/346442588.db2.gz TZRMKDVDXLYWIF-ZYHUDNBSSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C)C2)c([O-])c1 ZINC000175060210 346442763 /nfs/dbraw/zinc/44/27/63/346442763.db2.gz TZRMKDVDXLYWIF-PWSUYJOCSA-N -1 3 247.338 3.465 20 0 BGADHM C[C@@H]1CCC[C@H](C(=O)Nc2ccccc2[O-])C1 ZINC000175084144 374289544 /nfs/dbraw/zinc/28/95/44/374289544.db2.gz AJDAKHPOVMNVNI-MNOVXSKESA-N -1 3 233.311 3.157 20 0 BGADHM C[C@H]1CCC[C@H](C(=O)Nc2ccccc2[O-])C1 ZINC000175084160 374289565 /nfs/dbraw/zinc/28/95/65/374289565.db2.gz AJDAKHPOVMNVNI-QWRGUYRKSA-N -1 3 233.311 3.157 20 0 BGADHM C[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2[O-])C1 ZINC000175084177 362023522 /nfs/dbraw/zinc/02/35/22/362023522.db2.gz AJDAKHPOVMNVNI-GHMZBOCLSA-N -1 3 233.311 3.157 20 0 BGADHM C[C@H]1CCC[C@@H](C(=O)Nc2ccccc2[O-])C1 ZINC000175084190 374289582 /nfs/dbraw/zinc/28/95/82/374289582.db2.gz AJDAKHPOVMNVNI-WDEREUQCSA-N -1 3 233.311 3.157 20 0 BGADHM O=C(CCC1CCC1)Nc1cc(F)ccc1[O-] ZINC000175423949 384908700 /nfs/dbraw/zinc/90/87/00/384908700.db2.gz PTHSMFZUGXOGSI-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM O=C(CC1CCC1)Nc1cc(Cl)ccc1[O-] ZINC000175614754 384934363 /nfs/dbraw/zinc/93/43/63/384934363.db2.gz BNMLKIVSNOKWOL-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])C1CC1 ZINC000175816063 384963409 /nfs/dbraw/zinc/96/34/09/384963409.db2.gz DVFHVSPVRNXYTN-ZETCQYMHSA-N -1 3 239.702 3.030 20 0 BGADHM C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])C1CC1 ZINC000175816080 384964357 /nfs/dbraw/zinc/96/43/57/384964357.db2.gz DVFHVSPVRNXYTN-SSDOTTSWSA-N -1 3 239.702 3.030 20 0 BGADHM Cc1cc(Cl)cc(NC(=O)C(C)(C)C)c1[O-] ZINC000175838618 188164558 /nfs/dbraw/zinc/16/45/58/188164558.db2.gz RJGXEEXGRUQMCB-UHFFFAOYSA-N -1 3 241.718 3.339 20 0 BGADHM CCC1(C(=O)Nc2ccc(C)cc2[O-])CCC1 ZINC000175856489 365609158 /nfs/dbraw/zinc/60/91/58/365609158.db2.gz BLBCWWCXFRWAJR-UHFFFAOYSA-N -1 3 233.311 3.219 20 0 BGADHM CCC1(C(=O)Nc2cc(F)ccc2[O-])CCC1 ZINC000176253589 365699188 /nfs/dbraw/zinc/69/91/88/365699188.db2.gz IQEJWNXYAMMTQG-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM CCC(CC)CC(=O)[N-]OCc1ccccc1 ZINC000177525370 632832745 /nfs/dbraw/zinc/83/27/45/632832745.db2.gz HGDOBWRCIKAGHJ-UHFFFAOYSA-N -1 3 235.327 3.061 20 0 BGADHM C[C@@H]1CC[C@H](CC(=O)[N-]OCc2ccccc2)C1 ZINC000177525391 632833710 /nfs/dbraw/zinc/83/37/10/632833710.db2.gz RFQCOLIASVZZIL-OCCSQVGLSA-N -1 3 247.338 3.061 20 0 BGADHM C[C@H]1CC[C@H](CC(=O)[N-]OCc2ccccc2)C1 ZINC000177525407 632833216 /nfs/dbraw/zinc/83/32/16/632833216.db2.gz RFQCOLIASVZZIL-JSGCOSHPSA-N -1 3 247.338 3.061 20 0 BGADHM C[C@@H]1CC[C@@H](CC(=O)[N-]OCc2ccccc2)C1 ZINC000177525424 643440490 /nfs/dbraw/zinc/44/04/90/643440490.db2.gz RFQCOLIASVZZIL-TZMCWYRMSA-N -1 3 247.338 3.061 20 0 BGADHM C[C@H]1CC[C@@H](CC(=O)[N-]OCc2ccccc2)C1 ZINC000177525441 632833405 /nfs/dbraw/zinc/83/34/05/632833405.db2.gz RFQCOLIASVZZIL-GXTWGEPZSA-N -1 3 247.338 3.061 20 0 BGADHM Cc1cccc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000178330353 366114949 /nfs/dbraw/zinc/11/49/49/366114949.db2.gz HHVRAJGGOBZOJT-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM CCC[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000178522205 134307923 /nfs/dbraw/zinc/30/79/23/134307923.db2.gz GSGLROOQHGNVAJ-SECBINFHSA-N -1 3 248.355 3.147 20 0 BGADHM CCC[C@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000178522217 134307929 /nfs/dbraw/zinc/30/79/29/134307929.db2.gz GSGLROOQHGNVAJ-VIFPVBQESA-N -1 3 248.355 3.147 20 0 BGADHM CC/C=C(\C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000179011111 385433240 /nfs/dbraw/zinc/43/32/40/385433240.db2.gz XUUGBOXLEUETHU-XBXARRHUSA-N -1 3 239.702 3.340 20 0 BGADHM C/C=C/C=C/C(=O)Nc1cc(Cl)ccc1[O-] ZINC000179462775 384292608 /nfs/dbraw/zinc/29/26/08/384292608.db2.gz UDTDQXFJUHOUTG-MQQKCMAXSA-N -1 3 237.686 3.116 20 0 BGADHM CCC[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000179512437 385472541 /nfs/dbraw/zinc/47/25/41/385472541.db2.gz PDFBLJJJLMARKS-GFCCVEGCSA-N -1 3 247.338 3.187 20 0 BGADHM CCC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000179512445 385471016 /nfs/dbraw/zinc/47/10/16/385471016.db2.gz PDFBLJJJLMARKS-LBPRGKRZSA-N -1 3 247.338 3.187 20 0 BGADHM Cc1cccc([O-])c1NC(=O)/C=C/C(C)(C)C ZINC000179542084 179161119 /nfs/dbraw/zinc/16/11/19/179161119.db2.gz LLZVONGVRXZCBW-CMDGGOBGSA-N -1 3 233.311 3.241 20 0 BGADHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])c(C)o1 ZINC000179543578 345922251 /nfs/dbraw/zinc/92/22/51/345922251.db2.gz VVGNDGKMBIFELF-UHFFFAOYSA-N -1 3 245.278 3.163 20 0 BGADHM Cc1cccc([O-])c1NC(=O)c1ccc(F)cc1 ZINC000179545911 366269719 /nfs/dbraw/zinc/26/97/19/366269719.db2.gz DXSUHDOOXXGOOO-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1cccc(C(=O)Nc2c(C)cccc2[O-])c1 ZINC000179546062 366269399 /nfs/dbraw/zinc/26/93/99/366269399.db2.gz OMGSVBWGFYOXRO-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C1CCCCC1 ZINC000179548879 179161105 /nfs/dbraw/zinc/16/11/05/179161105.db2.gz OCRZATABZWJQDP-UHFFFAOYSA-N -1 3 233.311 3.219 20 0 BGADHM Cc1ccc(C(=O)Nc2c(C)cccc2[O-])s1 ZINC000179551346 366269471 /nfs/dbraw/zinc/26/94/71/366269471.db2.gz ALNGUTLGOFKGMX-UHFFFAOYSA-N -1 3 247.319 3.323 20 0 BGADHM Cc1cccc([O-])c1NC(=O)CC1CCCC1 ZINC000179551433 179160188 /nfs/dbraw/zinc/16/01/88/179160188.db2.gz DVBJRCVYRUEULK-UHFFFAOYSA-N -1 3 233.311 3.219 20 0 BGADHM Cc1ccsc1C(=O)Nc1c(C)cccc1[O-] ZINC000179552077 366269593 /nfs/dbraw/zinc/26/95/93/366269593.db2.gz YVCGXVHLTCXRRO-UHFFFAOYSA-N -1 3 247.319 3.323 20 0 BGADHM Cc1cccc([O-])c1NC(=O)c1ccccc1F ZINC000179552110 366269666 /nfs/dbraw/zinc/26/96/66/366269666.db2.gz ZWVOOKOJOOHLKP-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM CCC[C@@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000179553039 169351747 /nfs/dbraw/zinc/35/17/47/169351747.db2.gz YQAFLOPIXTZLPN-SNVBAGLBSA-N -1 3 221.300 3.075 20 0 BGADHM CCC[C@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000179553049 385471918 /nfs/dbraw/zinc/47/19/18/385471918.db2.gz YQAFLOPIXTZLPN-JTQLQIEISA-N -1 3 221.300 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C1[C@@H]2CCCC[C@H]12 ZINC000179555042 179160251 /nfs/dbraw/zinc/16/02/51/179160251.db2.gz KZAFNYMLQZXFLJ-QYJAPNMZSA-N -1 3 245.322 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C1C(C)(C)C1(C)C ZINC000179555187 134321488 /nfs/dbraw/zinc/32/14/88/134321488.db2.gz GMAVJFRBPIVBSV-UHFFFAOYSA-N -1 3 247.338 3.321 20 0 BGADHM Cc1ccccc1C(=O)Nc1c(C)cccc1[O-] ZINC000179558457 366269334 /nfs/dbraw/zinc/26/93/34/366269334.db2.gz YSNMXJKJLUBCEJ-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM Cc1cccc([O-])c1NC(=O)c1cccc(F)c1 ZINC000179560805 366271708 /nfs/dbraw/zinc/27/17/08/366271708.db2.gz KBYCLSVUDIHEHL-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1cccc([O-])c1NC(=O)CCC(C)C ZINC000179563843 179161289 /nfs/dbraw/zinc/16/12/89/179161289.db2.gz NXIKQSWBFLJHTM-UHFFFAOYSA-N -1 3 221.300 3.075 20 0 BGADHM O=C(Nc1ccc(Cl)cc1[O-])C1=CCCC1 ZINC000179638594 366278920 /nfs/dbraw/zinc/27/89/20/366278920.db2.gz FQCRNWZLUSEKQB-UHFFFAOYSA-N -1 3 237.686 3.094 20 0 BGADHM CC/C=C(\C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179639713 385480322 /nfs/dbraw/zinc/48/03/22/385480322.db2.gz WHJUNMNKKJJTAQ-XBXARRHUSA-N -1 3 239.702 3.340 20 0 BGADHM C/C=C/C=C/C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179641675 384319258 /nfs/dbraw/zinc/31/92/58/384319258.db2.gz QYVRMFFIHIIWHS-MQQKCMAXSA-N -1 3 237.686 3.116 20 0 BGADHM CC(C)(C)/C=C/C(=O)Nc1cc(F)ccc1[O-] ZINC000179650288 385480287 /nfs/dbraw/zinc/48/02/87/385480287.db2.gz JGBCRAGSBOUWQV-VOTSOKGWSA-N -1 3 237.274 3.072 20 0 BGADHM C/C=C(\C)C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000179806932 187997660 /nfs/dbraw/zinc/99/76/60/187997660.db2.gz RWIFSDQINJQOKP-QPJJXVBHSA-N -1 3 239.702 3.259 20 0 BGADHM CCCN(CCC)C(=O)c1cc(CC)ccc1[O-] ZINC000180301377 385389450 /nfs/dbraw/zinc/38/94/50/385389450.db2.gz MIUOSEOPKZMIIZ-UHFFFAOYSA-N -1 3 249.354 3.217 20 0 BGADHM CCCCCS[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000180732671 366540083 /nfs/dbraw/zinc/54/00/83/366540083.db2.gz XNRALOYRQPVGSW-JTQLQIEISA-N -1 3 240.372 3.475 20 0 BGADHM CCCCCS[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000180732691 366540030 /nfs/dbraw/zinc/54/00/30/366540030.db2.gz XNRALOYRQPVGSW-SNVBAGLBSA-N -1 3 240.372 3.475 20 0 BGADHM CCC(CC)CC(=O)Nc1ccc([O-])cc1F ZINC000180854251 535012666 /nfs/dbraw/zinc/01/26/66/535012666.db2.gz YEYJMPMXAVEEGY-UHFFFAOYSA-N -1 3 239.290 3.296 20 0 BGADHM O=C(NCCCC1CCCC1)c1cccc([O-])c1 ZINC000181849185 259365230 /nfs/dbraw/zinc/36/52/30/259365230.db2.gz ZZGZZONFAIFHBY-UHFFFAOYSA-N -1 3 247.338 3.092 20 0 BGADHM CC1CCC(C)(NC(=O)c2cccc([O-])c2)CC1 ZINC000182278487 134343900 /nfs/dbraw/zinc/34/39/00/134343900.db2.gz SMBUCCQQYRQDKB-UHFFFAOYSA-N -1 3 247.338 3.091 20 0 BGADHM C[C@@H](CCC(C)(C)C)NC(=O)c1cccc([O-])c1 ZINC000182474592 134345626 /nfs/dbraw/zinc/34/56/26/134345626.db2.gz LHSMCMORLLZLSD-NSHDSACASA-N -1 3 249.354 3.337 20 0 BGADHM C[C@H](CCC(C)(C)C)NC(=O)c1cccc([O-])c1 ZINC000182474612 134345415 /nfs/dbraw/zinc/34/54/15/134345415.db2.gz LHSMCMORLLZLSD-LLVKDONJSA-N -1 3 249.354 3.337 20 0 BGADHM C[C@@H]1CCC[C@H](C)N(C(=O)c2cccc([O-])c2)C1 ZINC000182502374 134345248 /nfs/dbraw/zinc/34/52/48/134345248.db2.gz SXSAFTKQORUJSY-NEPJUHHUSA-N -1 3 247.338 3.043 20 0 BGADHM C[C@H]1CCC[C@H](C)N(C(=O)c2cccc([O-])c2)C1 ZINC000182502389 134345424 /nfs/dbraw/zinc/34/54/24/134345424.db2.gz SXSAFTKQORUJSY-RYUDHWBXSA-N -1 3 247.338 3.043 20 0 BGADHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cccc([O-])c2)C1 ZINC000182502413 134345588 /nfs/dbraw/zinc/34/55/88/134345588.db2.gz SXSAFTKQORUJSY-VXGBXAGGSA-N -1 3 247.338 3.043 20 0 BGADHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cccc([O-])c1 ZINC000182502429 134345218 /nfs/dbraw/zinc/34/52/18/134345218.db2.gz SXSAFTKQORUJSY-NWDGAFQWSA-N -1 3 247.338 3.043 20 0 BGADHM CC(C)CC(C)(C)CNC(=O)c1cccc([O-])c1 ZINC000182576111 535383884 /nfs/dbraw/zinc/38/38/84/535383884.db2.gz QLRBEZCJCQOFRK-UHFFFAOYSA-N -1 3 249.354 3.194 20 0 BGADHM CCCC1(CNC(=O)c2cccc([O-])c2)CCC1 ZINC000182601827 534915222 /nfs/dbraw/zinc/91/52/22/534915222.db2.gz VCTASQCGZNBTCG-UHFFFAOYSA-N -1 3 247.338 3.092 20 0 BGADHM CCC1(CNC(=O)c2cccc([O-])c2)CCCC1 ZINC000182613993 385460964 /nfs/dbraw/zinc/46/09/64/385460964.db2.gz QGJRPEYFQVEZDN-UHFFFAOYSA-N -1 3 247.338 3.092 20 0 BGADHM CCO[N-]C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000182868017 385713295 /nfs/dbraw/zinc/71/32/95/385713295.db2.gz HEQSUEBTDJPMJA-UHFFFAOYSA-N -1 3 236.315 3.057 20 0 BGADHM CCO[N-]C(=O)Nc1ccccc1C(C)(C)C ZINC000182878902 385716079 /nfs/dbraw/zinc/71/60/79/385716079.db2.gz HWGLVQOEZJNRLV-UHFFFAOYSA-N -1 3 236.315 3.057 20 0 BGADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000182926238 388569049 /nfs/dbraw/zinc/56/90/49/388569049.db2.gz KGFZDFRUVQXQFJ-GHMZBOCLSA-N -1 3 235.327 3.321 20 0 BGADHM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000182926260 256839737 /nfs/dbraw/zinc/83/97/37/256839737.db2.gz KGFZDFRUVQXQFJ-WDEREUQCSA-N -1 3 235.327 3.321 20 0 BGADHM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000182926277 388568764 /nfs/dbraw/zinc/56/87/64/388568764.db2.gz KGFZDFRUVQXQFJ-MNOVXSKESA-N -1 3 235.327 3.321 20 0 BGADHM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000182926296 388568840 /nfs/dbraw/zinc/56/88/40/388568840.db2.gz KGFZDFRUVQXQFJ-QWRGUYRKSA-N -1 3 235.327 3.321 20 0 BGADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccccc1[O-] ZINC000182935204 134349779 /nfs/dbraw/zinc/34/97/79/134349779.db2.gz NTBLPAUFLODJOT-NXEZZACHSA-N -1 3 221.300 3.013 20 0 BGADHM CC[C@H](C)[C@@H](C)C(=O)Nc1ccccc1[O-] ZINC000182935226 134349786 /nfs/dbraw/zinc/34/97/86/134349786.db2.gz NTBLPAUFLODJOT-VHSXEESVSA-N -1 3 221.300 3.013 20 0 BGADHM CC[C@@H](C)[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000182935246 134349800 /nfs/dbraw/zinc/34/98/00/134349800.db2.gz NTBLPAUFLODJOT-ZJUUUORDSA-N -1 3 221.300 3.013 20 0 BGADHM CC[C@H](C)[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000182935267 134349747 /nfs/dbraw/zinc/34/97/47/134349747.db2.gz NTBLPAUFLODJOT-UWVGGRQHSA-N -1 3 221.300 3.013 20 0 BGADHM C[C@H]1CC(C(=O)Nc2ccccc2[O-])C[C@@H](C)C1 ZINC000182935600 134349737 /nfs/dbraw/zinc/34/97/37/134349737.db2.gz OMHLECNFNNIVIF-FOSCPWQOSA-N -1 3 247.338 3.403 20 0 BGADHM C[C@@H]1CC(C(=O)Nc2ccccc2[O-])C[C@@H](C)C1 ZINC000182935619 134349908 /nfs/dbraw/zinc/34/99/08/134349908.db2.gz OMHLECNFNNIVIF-QWRGUYRKSA-N -1 3 247.338 3.403 20 0 BGADHM C[C@H]1CC(C(=O)Nc2ccccc2[O-])C[C@H](C)C1 ZINC000182935634 134349965 /nfs/dbraw/zinc/34/99/65/134349965.db2.gz OMHLECNFNNIVIF-GHMZBOCLSA-N -1 3 247.338 3.403 20 0 BGADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc([O-])c1F ZINC000182949769 366960553 /nfs/dbraw/zinc/96/05/53/366960553.db2.gz UPLYBEFCWKEJIT-RKDXNWHRSA-N -1 3 239.290 3.152 20 0 BGADHM CC[C@H](C)[C@@H](C)C(=O)Nc1cccc([O-])c1F ZINC000182949784 366960717 /nfs/dbraw/zinc/96/07/17/366960717.db2.gz UPLYBEFCWKEJIT-DTWKUNHWSA-N -1 3 239.290 3.152 20 0 BGADHM CC[C@@H](C)[C@H](C)C(=O)Nc1cccc([O-])c1F ZINC000182949801 366960680 /nfs/dbraw/zinc/96/06/80/366960680.db2.gz UPLYBEFCWKEJIT-BDAKNGLRSA-N -1 3 239.290 3.152 20 0 BGADHM CC[C@H](C)[C@H](C)C(=O)Nc1cccc([O-])c1F ZINC000182949815 366960463 /nfs/dbraw/zinc/96/04/63/366960463.db2.gz UPLYBEFCWKEJIT-IUCAKERBSA-N -1 3 239.290 3.152 20 0 BGADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000182974575 385724687 /nfs/dbraw/zinc/72/46/87/385724687.db2.gz KNQUBJNYKGMJHS-MWLCHTKSSA-N -1 3 235.327 3.321 20 0 BGADHM CC[C@H](C)[C@@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000182974587 171360740 /nfs/dbraw/zinc/36/07/40/171360740.db2.gz KNQUBJNYKGMJHS-GXSJLCMTSA-N -1 3 235.327 3.321 20 0 BGADHM CC[C@@H](C)[C@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000182974603 385724806 /nfs/dbraw/zinc/72/48/06/385724806.db2.gz KNQUBJNYKGMJHS-KOLCDFICSA-N -1 3 235.327 3.321 20 0 BGADHM CC[C@H](C)[C@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000182974619 171385397 /nfs/dbraw/zinc/38/53/97/171385397.db2.gz KNQUBJNYKGMJHS-ONGXEEELSA-N -1 3 235.327 3.321 20 0 BGADHM Cc1cc(C)c(C(=O)Nc2c(C)cccc2[O-])o1 ZINC000183018309 347116691 /nfs/dbraw/zinc/11/66/91/347116691.db2.gz LOLOAYDSQIVQCP-UHFFFAOYSA-N -1 3 245.278 3.163 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000183021999 388568846 /nfs/dbraw/zinc/56/88/46/388568846.db2.gz NTKCXQUGNCQBIR-CMPLNLGQSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000183022017 388569023 /nfs/dbraw/zinc/56/90/23/388569023.db2.gz NTKCXQUGNCQBIR-JQWIXIFHSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000183022032 388569005 /nfs/dbraw/zinc/56/90/05/388569005.db2.gz NTKCXQUGNCQBIR-ZYHUDNBSSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000183022052 388568662 /nfs/dbraw/zinc/56/86/62/388568662.db2.gz NTKCXQUGNCQBIR-PWSUYJOCSA-N -1 3 247.338 3.465 20 0 BGADHM CC[C@]1(C)C[C@@H]1C(=O)Nc1c(C)cccc1[O-] ZINC000183025604 366966569 /nfs/dbraw/zinc/96/65/69/366966569.db2.gz PURCFKCUTDHTLD-QMTHXVAHSA-N -1 3 233.311 3.075 20 0 BGADHM CC[C@@]1(C)C[C@@H]1C(=O)Nc1c(C)cccc1[O-] ZINC000183025624 366966670 /nfs/dbraw/zinc/96/66/70/366966670.db2.gz PURCFKCUTDHTLD-YGRLFVJLSA-N -1 3 233.311 3.075 20 0 BGADHM CC[C@]1(C)C[C@H]1C(=O)Nc1c(C)cccc1[O-] ZINC000183025642 347116711 /nfs/dbraw/zinc/11/67/11/347116711.db2.gz PURCFKCUTDHTLD-IINYFYTJSA-N -1 3 233.311 3.075 20 0 BGADHM CC[C@@]1(C)C[C@H]1C(=O)Nc1c(C)cccc1[O-] ZINC000183025662 366966511 /nfs/dbraw/zinc/96/65/11/366966511.db2.gz PURCFKCUTDHTLD-HZMBPMFUSA-N -1 3 233.311 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000183033713 179160089 /nfs/dbraw/zinc/16/00/89/179160089.db2.gz AGQPCEQQKKKAFO-CMPLNLGQSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000183033730 179160560 /nfs/dbraw/zinc/16/05/60/179160560.db2.gz AGQPCEQQKKKAFO-JQWIXIFHSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000183033748 179161036 /nfs/dbraw/zinc/16/10/36/179161036.db2.gz AGQPCEQQKKKAFO-ZYHUDNBSSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000183033768 179160053 /nfs/dbraw/zinc/16/00/53/179160053.db2.gz AGQPCEQQKKKAFO-PWSUYJOCSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)CCC1CCC1 ZINC000183063090 179160834 /nfs/dbraw/zinc/16/08/34/179160834.db2.gz LCMRRRXTLQFOEO-UHFFFAOYSA-N -1 3 233.311 3.219 20 0 BGADHM Cc1ccc(C(=O)Nc2c(C)cccc2[O-])cc1 ZINC000183070564 366974202 /nfs/dbraw/zinc/97/42/02/366974202.db2.gz SHPASLRBXKVHJI-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM Cc1cscc1C(=O)Nc1c(C)cccc1[O-] ZINC000183079292 366974219 /nfs/dbraw/zinc/97/42/19/366974219.db2.gz HDEDMXNCMIQTRA-UHFFFAOYSA-N -1 3 247.319 3.323 20 0 BGADHM CC(C)[C@@H](C)CC(=O)Nc1ccc([O-])cc1F ZINC000183248680 398088565 /nfs/dbraw/zinc/08/85/65/398088565.db2.gz SQIIIKSKUJFYBA-VIFPVBQESA-N -1 3 239.290 3.152 20 0 BGADHM CC(C)[C@H](C)CC(=O)Nc1ccc([O-])cc1F ZINC000183248701 398088674 /nfs/dbraw/zinc/08/86/74/398088674.db2.gz SQIIIKSKUJFYBA-SECBINFHSA-N -1 3 239.290 3.152 20 0 BGADHM CCC[C@@H](C)CC(=O)Nc1ccc([O-])cc1F ZINC000183255637 134352649 /nfs/dbraw/zinc/35/26/49/134352649.db2.gz ZKMXBMCIPIKVGT-SECBINFHSA-N -1 3 239.290 3.296 20 0 BGADHM CCC[C@H](C)CC(=O)Nc1ccc([O-])cc1F ZINC000183255658 134352858 /nfs/dbraw/zinc/35/28/58/134352858.db2.gz ZKMXBMCIPIKVGT-VIFPVBQESA-N -1 3 239.290 3.296 20 0 BGADHM CC(C)(C)/C=C/C(=O)Nc1ccc([O-])cc1F ZINC000183273034 398088731 /nfs/dbraw/zinc/08/87/31/398088731.db2.gz PUVYRYRKJWHFEZ-VOTSOKGWSA-N -1 3 237.274 3.072 20 0 BGADHM Cc1ccc(C[S@@](=O)c2cccc([O-])c2)cc1 ZINC000184033321 367060811 /nfs/dbraw/zinc/06/08/11/367060811.db2.gz ASCTXVPKTMQGHL-QGZVFWFLSA-N -1 3 246.331 3.008 20 0 BGADHM Cc1ccc(C[S@](=O)c2cccc([O-])c2)cc1 ZINC000184033342 367060631 /nfs/dbraw/zinc/06/06/31/367060631.db2.gz ASCTXVPKTMQGHL-KRWDZBQOSA-N -1 3 246.331 3.008 20 0 BGADHM C[C@@H](c1ccccc1)[S@@](=O)c1cccc([O-])c1 ZINC000184034944 367060857 /nfs/dbraw/zinc/06/08/57/367060857.db2.gz AFYYFOPOAAJTMI-APPDUMDISA-N -1 3 246.331 3.261 20 0 BGADHM C[C@H](c1ccccc1)[S@@](=O)c1cccc([O-])c1 ZINC000184034962 367060427 /nfs/dbraw/zinc/06/04/27/367060427.db2.gz AFYYFOPOAAJTMI-PIGZYNQJSA-N -1 3 246.331 3.261 20 0 BGADHM C[C@@H](c1ccccc1)[S@](=O)c1cccc([O-])c1 ZINC000184034978 367060261 /nfs/dbraw/zinc/06/02/61/367060261.db2.gz AFYYFOPOAAJTMI-GTNSWQLSSA-N -1 3 246.331 3.261 20 0 BGADHM C[C@H](c1ccccc1)[S@](=O)c1cccc([O-])c1 ZINC000184034993 367060316 /nfs/dbraw/zinc/06/03/16/367060316.db2.gz AFYYFOPOAAJTMI-DIFFPNOSSA-N -1 3 246.331 3.261 20 0 BGADHM Cc1ccccc1C[S@@](=O)c1cccc([O-])c1 ZINC000184071908 367063097 /nfs/dbraw/zinc/06/30/97/367063097.db2.gz CXRIRCFKXTXDST-QGZVFWFLSA-N -1 3 246.331 3.008 20 0 BGADHM Cc1ccccc1C[S@](=O)c1cccc([O-])c1 ZINC000184071931 367063830 /nfs/dbraw/zinc/06/38/30/367063830.db2.gz CXRIRCFKXTXDST-KRWDZBQOSA-N -1 3 246.331 3.008 20 0 BGADHM Cc1cccc(C[S@@](=O)c2cccc([O-])c2)c1 ZINC000184078024 367062918 /nfs/dbraw/zinc/06/29/18/367062918.db2.gz WBZOVNBGYXEVSY-QGZVFWFLSA-N -1 3 246.331 3.008 20 0 BGADHM Cc1cccc(C[S@](=O)c2cccc([O-])c2)c1 ZINC000184078047 367063611 /nfs/dbraw/zinc/06/36/11/367063611.db2.gz WBZOVNBGYXEVSY-KRWDZBQOSA-N -1 3 246.331 3.008 20 0 BGADHM CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000184130318 134359183 /nfs/dbraw/zinc/35/91/83/134359183.db2.gz ZCTBEEDWUOLCLG-RKDXNWHRSA-N -1 3 239.290 3.152 20 0 BGADHM CC[C@H](C)[C@@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000184130337 536183749 /nfs/dbraw/zinc/18/37/49/536183749.db2.gz ZCTBEEDWUOLCLG-DTWKUNHWSA-N -1 3 239.290 3.152 20 0 BGADHM CC[C@@H](C)[C@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000184130354 134359278 /nfs/dbraw/zinc/35/92/78/134359278.db2.gz ZCTBEEDWUOLCLG-BDAKNGLRSA-N -1 3 239.290 3.152 20 0 BGADHM CC[C@H](C)[C@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000184130368 134359181 /nfs/dbraw/zinc/35/91/81/134359181.db2.gz ZCTBEEDWUOLCLG-IUCAKERBSA-N -1 3 239.290 3.152 20 0 BGADHM Cc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000184130773 134359151 /nfs/dbraw/zinc/35/91/51/134359151.db2.gz IQRVOUZDLAWDKE-UHFFFAOYSA-N -1 3 231.270 3.452 20 0 BGADHM C[C@H](NCc1cc([O-])cc(F)c1)c1ccccc1 ZINC000184130817 134359242 /nfs/dbraw/zinc/35/92/42/134359242.db2.gz JYYFCNFWLYWJHG-NSHDSACASA-N -1 3 245.297 3.382 20 0 BGADHM C[C@@H](NCc1cc([O-])cc(F)c1)c1ccccc1 ZINC000184130834 134359204 /nfs/dbraw/zinc/35/92/04/134359204.db2.gz JYYFCNFWLYWJHG-LLVKDONJSA-N -1 3 245.297 3.382 20 0 BGADHM COc1ccccc1NCc1cc([O-])cc(F)c1 ZINC000184130982 347150279 /nfs/dbraw/zinc/15/02/79/347150279.db2.gz ZTJRLVFCYQTSAO-UHFFFAOYSA-N -1 3 247.269 3.152 20 0 BGADHM [O-]c1cc(F)cc(CNc2cccc(F)c2)c1 ZINC000184131954 134359212 /nfs/dbraw/zinc/35/92/12/134359212.db2.gz JWIMMSFZOSZDDE-UHFFFAOYSA-N -1 3 235.233 3.283 20 0 BGADHM [O-]c1cc(F)cc(CNc2ccc(F)cc2)c1 ZINC000184132025 134359068 /nfs/dbraw/zinc/35/90/68/134359068.db2.gz BVCJSFGXUDDQRW-UHFFFAOYSA-N -1 3 235.233 3.283 20 0 BGADHM [O-]c1cc(F)cc(CNc2ccccc2F)c1 ZINC000184132109 134358974 /nfs/dbraw/zinc/35/89/74/134358974.db2.gz ZMJFGXXCFCVUFN-UHFFFAOYSA-N -1 3 235.233 3.283 20 0 BGADHM Cc1ccc(CNCc2cc([O-])cc(F)c2)cc1 ZINC000184132445 134358911 /nfs/dbraw/zinc/35/89/11/134358911.db2.gz KTMATIHCRDNUBG-UHFFFAOYSA-N -1 3 245.297 3.130 20 0 BGADHM COc1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000184132475 347150258 /nfs/dbraw/zinc/15/02/58/347150258.db2.gz GOXJMTVJJWZGAB-UHFFFAOYSA-N -1 3 247.269 3.152 20 0 BGADHM Cc1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000184132517 134359057 /nfs/dbraw/zinc/35/90/57/134359057.db2.gz VQABIHQMLGQGOB-UHFFFAOYSA-N -1 3 231.270 3.452 20 0 BGADHM Cc1ccccc1NCc1cc([O-])cc(F)c1 ZINC000184132591 134359146 /nfs/dbraw/zinc/35/91/46/134359146.db2.gz HZTOWLVVYXWJFE-UHFFFAOYSA-N -1 3 231.270 3.452 20 0 BGADHM Cc1cccc(CNCc2cc([O-])cc(F)c2)c1 ZINC000184134390 134358929 /nfs/dbraw/zinc/35/89/29/134358929.db2.gz JVGJWCNDRKMDGB-UHFFFAOYSA-N -1 3 245.297 3.130 20 0 BGADHM Cc1ccc([C@@H](C)NCc2cc([O-])cc(F)c2)o1 ZINC000184136656 134359016 /nfs/dbraw/zinc/35/90/16/134359016.db2.gz DBMLQDXZSWHESQ-SNVBAGLBSA-N -1 3 249.285 3.284 20 0 BGADHM Cc1ccc([C@H](C)NCc2cc([O-])cc(F)c2)o1 ZINC000184136673 134359026 /nfs/dbraw/zinc/35/90/26/134359026.db2.gz DBMLQDXZSWHESQ-JTQLQIEISA-N -1 3 249.285 3.284 20 0 BGADHM Cc1ccccc1CNCc1cc([O-])cc(F)c1 ZINC000184139750 134359102 /nfs/dbraw/zinc/35/91/02/134359102.db2.gz WUOWSLCHWHKITN-UHFFFAOYSA-N -1 3 245.297 3.130 20 0 BGADHM CN(Cc1cc([O-])cc(F)c1)c1ccccc1 ZINC000184147755 134359254 /nfs/dbraw/zinc/35/92/54/134359254.db2.gz RZQIQKBPPBEGID-UHFFFAOYSA-N -1 3 231.270 3.168 20 0 BGADHM [O-]c1cc(F)cc(CN2Cc3ccccc3C2)c1 ZINC000184149866 134359079 /nfs/dbraw/zinc/35/90/79/134359079.db2.gz SMRMNCSNWFWPCD-UHFFFAOYSA-N -1 3 243.281 3.047 20 0 BGADHM Cc1ccc(NC(=O)[C@@H](C)CC(C)C)c([O-])c1 ZINC000184475325 388578619 /nfs/dbraw/zinc/57/86/19/388578619.db2.gz MNJRASBIERZTKM-NSHDSACASA-N -1 3 235.327 3.321 20 0 BGADHM Cc1ccc(NC(=O)[C@H](C)CC(C)C)c([O-])c1 ZINC000184475342 388578341 /nfs/dbraw/zinc/57/83/41/388578341.db2.gz MNJRASBIERZTKM-LLVKDONJSA-N -1 3 235.327 3.321 20 0 BGADHM [O-]c1cc(F)cc(-c2nc3ccccc3[nH]2)c1 ZINC000184582505 388579116 /nfs/dbraw/zinc/57/91/16/388579116.db2.gz NEFKJQFYKKMFBM-UHFFFAOYSA-N -1 3 228.226 3.075 20 0 BGADHM Cn1c2ccccc2nc1-c1cc([O-])cc(F)c1 ZINC000184586344 388580025 /nfs/dbraw/zinc/58/00/25/388580025.db2.gz ZUYSKSLWPOVRKE-UHFFFAOYSA-N -1 3 242.253 3.085 20 0 BGADHM Cc1ccc(NC(=O)C[C@@H]2CCC[C@@H]2C)c([O-])c1 ZINC000184607933 388580660 /nfs/dbraw/zinc/58/06/60/388580660.db2.gz XWBMNHXHFMGNBJ-RYUDHWBXSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)C[C@H]2CCC[C@@H]2C)c([O-])c1 ZINC000184607946 388580621 /nfs/dbraw/zinc/58/06/21/388580621.db2.gz XWBMNHXHFMGNBJ-NWDGAFQWSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)C[C@@H]2CCC[C@H]2C)c([O-])c1 ZINC000184607964 388580889 /nfs/dbraw/zinc/58/08/89/388580889.db2.gz XWBMNHXHFMGNBJ-NEPJUHHUSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)C[C@H]2CCC[C@H]2C)c([O-])c1 ZINC000184607979 388580690 /nfs/dbraw/zinc/58/06/90/388580690.db2.gz XWBMNHXHFMGNBJ-VXGBXAGGSA-N -1 3 247.338 3.465 20 0 BGADHM C[C@@H]1CCC[C@@H]1CC(=O)[N-]OCc1ccccc1 ZINC000184627119 643224476 /nfs/dbraw/zinc/22/44/76/643224476.db2.gz XHRPHMRKHNMSFY-TZMCWYRMSA-N -1 3 247.338 3.061 20 0 BGADHM C[C@H]1CCC[C@@H]1CC(=O)[N-]OCc1ccccc1 ZINC000184627131 643224127 /nfs/dbraw/zinc/22/41/27/643224127.db2.gz XHRPHMRKHNMSFY-GXTWGEPZSA-N -1 3 247.338 3.061 20 0 BGADHM C[C@@H]1CCC[C@H]1CC(=O)[N-]OCc1ccccc1 ZINC000184627148 643224350 /nfs/dbraw/zinc/22/43/50/643224350.db2.gz XHRPHMRKHNMSFY-OCCSQVGLSA-N -1 3 247.338 3.061 20 0 BGADHM C[C@H]1CCC[C@H]1CC(=O)[N-]OCc1ccccc1 ZINC000184627165 643223572 /nfs/dbraw/zinc/22/35/72/643223572.db2.gz XHRPHMRKHNMSFY-JSGCOSHPSA-N -1 3 247.338 3.061 20 0 BGADHM CC(C)C[C@@H](C)C(=O)Nc1ccccc1[O-] ZINC000184703680 134368745 /nfs/dbraw/zinc/36/87/45/134368745.db2.gz CJYHXTPEOXBPRY-SNVBAGLBSA-N -1 3 221.300 3.013 20 0 BGADHM CC(C)C[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000184703702 134368317 /nfs/dbraw/zinc/36/83/17/134368317.db2.gz CJYHXTPEOXBPRY-JTQLQIEISA-N -1 3 221.300 3.013 20 0 BGADHM CCC(C)(CC)C(=O)Nc1cccc([O-])c1F ZINC000184890850 538969787 /nfs/dbraw/zinc/96/97/87/538969787.db2.gz XKIDNRHIAZTRQW-UHFFFAOYSA-N -1 3 239.290 3.296 20 0 BGADHM CC(C)C[C@@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000184906262 134371516 /nfs/dbraw/zinc/37/15/16/134371516.db2.gz DXXZFHUQJGRUQN-SECBINFHSA-N -1 3 239.290 3.152 20 0 BGADHM CC(C)C[C@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000184906280 134371316 /nfs/dbraw/zinc/37/13/16/134371316.db2.gz DXXZFHUQJGRUQN-VIFPVBQESA-N -1 3 239.290 3.152 20 0 BGADHM CC(C)C[C@@H](C)C(=O)Nc1cccc([O-])c1F ZINC000184912583 367108209 /nfs/dbraw/zinc/10/82/09/367108209.db2.gz WLBNFTOOQFPEDS-SECBINFHSA-N -1 3 239.290 3.152 20 0 BGADHM CC(C)C[C@H](C)C(=O)Nc1cccc([O-])c1F ZINC000184912600 367108869 /nfs/dbraw/zinc/10/88/69/367108869.db2.gz WLBNFTOOQFPEDS-VIFPVBQESA-N -1 3 239.290 3.152 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)CC(C)C ZINC000184932201 179159739 /nfs/dbraw/zinc/15/97/39/179159739.db2.gz DVGABMLREYFAJW-NSHDSACASA-N -1 3 235.327 3.321 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)CC(C)C ZINC000184932221 179160365 /nfs/dbraw/zinc/16/03/65/179160365.db2.gz DVGABMLREYFAJW-LLVKDONJSA-N -1 3 235.327 3.321 20 0 BGADHM CCC(CC)Sc1n[n-]c(-c2ccccn2)n1 ZINC000185554577 535088871 /nfs/dbraw/zinc/08/88/71/535088871.db2.gz MXFSRRWLGKIQLU-UHFFFAOYSA-N -1 3 248.355 3.147 20 0 BGADHM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000185731933 384765854 /nfs/dbraw/zinc/76/58/54/384765854.db2.gz WNPSDODLIRLPRS-YGRLFVJLSA-N -1 3 233.311 3.013 20 0 BGADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000185731951 188347526 /nfs/dbraw/zinc/34/75/26/188347526.db2.gz WNPSDODLIRLPRS-QMTHXVAHSA-N -1 3 233.311 3.013 20 0 BGADHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccccc1[O-] ZINC000185731973 384764989 /nfs/dbraw/zinc/76/49/89/384764989.db2.gz WNPSDODLIRLPRS-HZMBPMFUSA-N -1 3 233.311 3.013 20 0 BGADHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccccc1[O-] ZINC000185731994 188347499 /nfs/dbraw/zinc/34/74/99/188347499.db2.gz WNPSDODLIRLPRS-IINYFYTJSA-N -1 3 233.311 3.013 20 0 BGADHM C/C(=C\C(C)(C)C)C(=O)Nc1ccccc1[O-] ZINC000186012664 384808750 /nfs/dbraw/zinc/80/87/50/384808750.db2.gz VIFITDGKFGTBDE-MDZDMXLPSA-N -1 3 233.311 3.323 20 0 BGADHM CN(Cc1ccccc1)Cc1cc([O-])cc(F)c1 ZINC000186149711 387074374 /nfs/dbraw/zinc/07/43/74/387074374.db2.gz BAWPGFKRHFHENH-UHFFFAOYSA-N -1 3 245.297 3.163 20 0 BGADHM Cc1ccc(CN(C)Cc2cc([O-])cc(F)c2)o1 ZINC000186159870 384826098 /nfs/dbraw/zinc/82/60/98/384826098.db2.gz DLTDEKGFQYWDIQ-UHFFFAOYSA-N -1 3 249.285 3.065 20 0 BGADHM C[C@@H](c1ccco1)N(C)Cc1cc([O-])cc(F)c1 ZINC000186180219 176032073 /nfs/dbraw/zinc/03/20/73/176032073.db2.gz JDBNUOVSQLZMPD-JTQLQIEISA-N -1 3 249.285 3.317 20 0 BGADHM C[C@H](c1ccco1)N(C)Cc1cc([O-])cc(F)c1 ZINC000186180237 177047580 /nfs/dbraw/zinc/04/75/80/177047580.db2.gz JDBNUOVSQLZMPD-SNVBAGLBSA-N -1 3 249.285 3.317 20 0 BGADHM Cc1occc1CN(C)Cc1cc([O-])cc(F)c1 ZINC000186195916 384828398 /nfs/dbraw/zinc/82/83/98/384828398.db2.gz UQGWABCUIWLWRH-UHFFFAOYSA-N -1 3 249.285 3.065 20 0 BGADHM CCCN(Cc1cc([O-])cc(F)c1)CC(F)F ZINC000186203822 169173315 /nfs/dbraw/zinc/17/33/15/169173315.db2.gz NMIVFDNZZFSPSH-UHFFFAOYSA-N -1 3 247.260 3.008 20 0 BGADHM C[C@@H]1CCN(C(=O)C2CCC2)c2c([O-])cccc21 ZINC000186252563 384832186 /nfs/dbraw/zinc/83/21/86/384832186.db2.gz MKELSEZCOSSZTP-SNVBAGLBSA-N -1 3 245.322 3.033 20 0 BGADHM C[C@H]1CCN(C(=O)C2CCC2)c2c([O-])cccc21 ZINC000186252578 384832500 /nfs/dbraw/zinc/83/25/00/384832500.db2.gz MKELSEZCOSSZTP-JTQLQIEISA-N -1 3 245.322 3.033 20 0 BGADHM CC(C)CC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186333725 256864427 /nfs/dbraw/zinc/86/44/27/256864427.db2.gz JCYDTEHBDYUBFB-LLVKDONJSA-N -1 3 247.338 3.279 20 0 BGADHM CC(C)CC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186333743 388599195 /nfs/dbraw/zinc/59/91/95/388599195.db2.gz JCYDTEHBDYUBFB-NSHDSACASA-N -1 3 247.338 3.279 20 0 BGADHM CC[C@@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186336886 384835863 /nfs/dbraw/zinc/83/58/63/384835863.db2.gz MOWUHKXCASQRAN-MNOVXSKESA-N -1 3 247.338 3.279 20 0 BGADHM CC[C@H](C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000186336900 384835749 /nfs/dbraw/zinc/83/57/49/384835749.db2.gz MOWUHKXCASQRAN-QWRGUYRKSA-N -1 3 247.338 3.279 20 0 BGADHM CC[C@@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186336917 384836856 /nfs/dbraw/zinc/83/68/56/384836856.db2.gz MOWUHKXCASQRAN-GHMZBOCLSA-N -1 3 247.338 3.279 20 0 BGADHM CC[C@H](C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000186336933 384834277 /nfs/dbraw/zinc/83/42/77/384834277.db2.gz MOWUHKXCASQRAN-WDEREUQCSA-N -1 3 247.338 3.279 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c([O-])c1 ZINC000186403271 387095177 /nfs/dbraw/zinc/09/51/77/387095177.db2.gz TUGBXYZXISVKIF-NHYWBVRUSA-N -1 3 247.338 3.321 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c([O-])c1 ZINC000186403293 387095003 /nfs/dbraw/zinc/09/50/03/387095003.db2.gz TUGBXYZXISVKIF-ABAIWWIYSA-N -1 3 247.338 3.321 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c([O-])c1 ZINC000186403311 387095410 /nfs/dbraw/zinc/09/54/10/387095410.db2.gz TUGBXYZXISVKIF-XHDPSFHLSA-N -1 3 247.338 3.321 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2C[C@]2(C)C(C)C)c([O-])c1 ZINC000186403332 387095045 /nfs/dbraw/zinc/09/50/45/387095045.db2.gz TUGBXYZXISVKIF-IAQYHMDHSA-N -1 3 247.338 3.321 20 0 BGADHM CCO[N-]C(=O)Nc1ccc2oc(C)c(C)c2c1 ZINC000186504299 384848274 /nfs/dbraw/zinc/84/82/74/384848274.db2.gz BOENVKCEPSJXTP-UHFFFAOYSA-N -1 3 248.282 3.123 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000186646073 387119534 /nfs/dbraw/zinc/11/95/34/387119534.db2.gz QAYJYMFGUWDVFD-NHYWBVRUSA-N -1 3 247.338 3.321 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000186646088 387118628 /nfs/dbraw/zinc/11/86/28/387118628.db2.gz QAYJYMFGUWDVFD-ABAIWWIYSA-N -1 3 247.338 3.321 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000186646103 387119146 /nfs/dbraw/zinc/11/91/46/387119146.db2.gz QAYJYMFGUWDVFD-XHDPSFHLSA-N -1 3 247.338 3.321 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000186646122 387119975 /nfs/dbraw/zinc/11/99/75/387119975.db2.gz QAYJYMFGUWDVFD-IAQYHMDHSA-N -1 3 247.338 3.321 20 0 BGADHM Cc1ccc(CC(=O)[N-]OCCC(C)(C)C)cc1 ZINC000187132825 644302716 /nfs/dbraw/zinc/30/27/16/644302716.db2.gz KITIZZFZNNTLDV-UHFFFAOYSA-N -1 3 249.354 3.022 20 0 BGADHM O=C(C[C@H]1C=CCCC1)Nc1cc(F)ccc1[O-] ZINC000187271866 182026187 /nfs/dbraw/zinc/02/61/87/182026187.db2.gz MUEFVHSWXOIQOA-JTQLQIEISA-N -1 3 249.285 3.216 20 0 BGADHM O=C(C[C@@H]1C=CCCC1)Nc1cc(F)ccc1[O-] ZINC000187271879 182016491 /nfs/dbraw/zinc/01/64/91/182016491.db2.gz MUEFVHSWXOIQOA-SNVBAGLBSA-N -1 3 249.285 3.216 20 0 BGADHM O=C(C[C@H]1C=CCCC1)Nc1cccc([O-])c1F ZINC000187398282 346573588 /nfs/dbraw/zinc/57/35/88/346573588.db2.gz PGOXSDRIQYSKKO-JTQLQIEISA-N -1 3 249.285 3.216 20 0 BGADHM O=C(C[C@@H]1C=CCCC1)Nc1cccc([O-])c1F ZINC000187398297 346573745 /nfs/dbraw/zinc/57/37/45/346573745.db2.gz PGOXSDRIQYSKKO-SNVBAGLBSA-N -1 3 249.285 3.216 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C[C@H]1C=CCCC1 ZINC000187494376 179160590 /nfs/dbraw/zinc/16/05/90/179160590.db2.gz RXUFJTQAGMSGOX-LBPRGKRZSA-N -1 3 245.322 3.386 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1C=CCCC1 ZINC000187494396 179160955 /nfs/dbraw/zinc/16/09/55/179160955.db2.gz RXUFJTQAGMSGOX-GFCCVEGCSA-N -1 3 245.322 3.386 20 0 BGADHM C[C@@H]1CCC[C@@H]1CC(=O)Nc1ccccc1[O-] ZINC000187598665 176127680 /nfs/dbraw/zinc/12/76/80/176127680.db2.gz YJXFOPIRNBKUED-GHMZBOCLSA-N -1 3 233.311 3.157 20 0 BGADHM C[C@H]1CCC[C@@H]1CC(=O)Nc1ccccc1[O-] ZINC000187598685 177123993 /nfs/dbraw/zinc/12/39/93/177123993.db2.gz YJXFOPIRNBKUED-WDEREUQCSA-N -1 3 233.311 3.157 20 0 BGADHM C[C@@H]1CCC[C@H]1CC(=O)Nc1ccccc1[O-] ZINC000187598703 176147610 /nfs/dbraw/zinc/14/76/10/176147610.db2.gz YJXFOPIRNBKUED-MNOVXSKESA-N -1 3 233.311 3.157 20 0 BGADHM C[C@H]1CCC[C@H]1CC(=O)Nc1ccccc1[O-] ZINC000187598720 177139631 /nfs/dbraw/zinc/13/96/31/177139631.db2.gz YJXFOPIRNBKUED-QWRGUYRKSA-N -1 3 233.311 3.157 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1CCC[C@@H]1C ZINC000187728028 179160178 /nfs/dbraw/zinc/16/01/78/179160178.db2.gz CBEYPARDFCTRRP-JQWIXIFHSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C[C@H]1CCC[C@@H]1C ZINC000187728046 179161271 /nfs/dbraw/zinc/16/12/71/179161271.db2.gz CBEYPARDFCTRRP-CMPLNLGQSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1CCC[C@H]1C ZINC000187728067 179160869 /nfs/dbraw/zinc/16/08/69/179160869.db2.gz CBEYPARDFCTRRP-PWSUYJOCSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C[C@H]1CCC[C@H]1C ZINC000187728086 179160750 /nfs/dbraw/zinc/16/07/50/179160750.db2.gz CBEYPARDFCTRRP-ZYHUDNBSSA-N -1 3 247.338 3.465 20 0 BGADHM CCCN(CCC)C(=O)c1ccc(CC)cc1[O-] ZINC000188438396 386510743 /nfs/dbraw/zinc/51/07/43/386510743.db2.gz YVGSEXDEXXKVRL-UHFFFAOYSA-N -1 3 249.354 3.217 20 0 BGADHM CCCCN(CC)C(=O)c1ccc(CC)cc1[O-] ZINC000188498101 398213697 /nfs/dbraw/zinc/21/36/97/398213697.db2.gz TZMDUDFFWPJCHW-UHFFFAOYSA-N -1 3 249.354 3.217 20 0 BGADHM O=C(C[C@H]1C=CCCC1)Nc1ccccc1[O-] ZINC000188523205 182025576 /nfs/dbraw/zinc/02/55/76/182025576.db2.gz OINSDRWTSQKWEA-NSHDSACASA-N -1 3 231.295 3.077 20 0 BGADHM O=C(C[C@@H]1C=CCCC1)Nc1ccccc1[O-] ZINC000188523226 182016972 /nfs/dbraw/zinc/01/69/72/182016972.db2.gz OINSDRWTSQKWEA-LLVKDONJSA-N -1 3 231.295 3.077 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C1=CCCCC1 ZINC000188687356 179160703 /nfs/dbraw/zinc/16/07/03/179160703.db2.gz OSRPPYOMNMWJAQ-UHFFFAOYSA-N -1 3 231.295 3.140 20 0 BGADHM Cc1ccc(NC(=O)C[C@H]2C=CCCC2)c([O-])c1 ZINC000188886956 385101578 /nfs/dbraw/zinc/10/15/78/385101578.db2.gz UVUFISWXMUZHBG-LBPRGKRZSA-N -1 3 245.322 3.386 20 0 BGADHM Cc1ccc(NC(=O)C[C@@H]2C=CCCC2)c([O-])c1 ZINC000188886977 187312661 /nfs/dbraw/zinc/31/26/61/187312661.db2.gz UVUFISWXMUZHBG-GFCCVEGCSA-N -1 3 245.322 3.386 20 0 BGADHM CCc1ccc(C(=O)N(C)CCC(C)C)c([O-])c1 ZINC000189385749 538982577 /nfs/dbraw/zinc/98/25/77/538982577.db2.gz HJEDWLCQTFJKTM-UHFFFAOYSA-N -1 3 249.354 3.073 20 0 BGADHM CCc1ccc(C(=O)N(CC)CC(C)C)c([O-])c1 ZINC000189386267 385149949 /nfs/dbraw/zinc/14/99/49/385149949.db2.gz OUZAEOPVXKDQGL-UHFFFAOYSA-N -1 3 249.354 3.073 20 0 BGADHM C[C@@H]1CCC[C@H](NC(=O)c2cccc([O-])c2)CC1 ZINC000189446427 386001729 /nfs/dbraw/zinc/00/17/29/386001729.db2.gz ZENSNCPRSOXOIU-YPMHNXCESA-N -1 3 247.338 3.091 20 0 BGADHM C[C@H]1CCC[C@H](NC(=O)c2cccc([O-])c2)CC1 ZINC000189446448 386000571 /nfs/dbraw/zinc/00/05/71/386000571.db2.gz ZENSNCPRSOXOIU-AAEUAGOBSA-N -1 3 247.338 3.091 20 0 BGADHM C[C@@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2)CC1 ZINC000189446472 385999550 /nfs/dbraw/zinc/99/95/50/385999550.db2.gz ZENSNCPRSOXOIU-DGCLKSJQSA-N -1 3 247.338 3.091 20 0 BGADHM C[C@H]1CCC[C@@H](NC(=O)c2cccc([O-])c2)CC1 ZINC000189446489 385999202 /nfs/dbraw/zinc/99/92/02/385999202.db2.gz ZENSNCPRSOXOIU-WCQYABFASA-N -1 3 247.338 3.091 20 0 BGADHM CC[C@@H](C)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000189658841 357655398 /nfs/dbraw/zinc/65/53/98/357655398.db2.gz SFCVYDPBTUPEEK-MRVPVSSYSA-N -1 3 241.718 3.420 20 0 BGADHM CC[C@H](C)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000189658862 357655417 /nfs/dbraw/zinc/65/54/17/357655417.db2.gz SFCVYDPBTUPEEK-QMMMGPOBSA-N -1 3 241.718 3.420 20 0 BGADHM CC[C@@H](C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000189797511 357662190 /nfs/dbraw/zinc/66/21/90/357662190.db2.gz YTHQAMAUGOKTLZ-MRVPVSSYSA-N -1 3 241.718 3.420 20 0 BGADHM CC[C@H](C)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000189797527 357662210 /nfs/dbraw/zinc/66/22/10/357662210.db2.gz YTHQAMAUGOKTLZ-QMMMGPOBSA-N -1 3 241.718 3.420 20 0 BGADHM CC[C@@H](C)CC(=O)Nc1c(C)cccc1[O-] ZINC000189942176 170688713 /nfs/dbraw/zinc/68/87/13/170688713.db2.gz JNKKBZCNMAHQJK-SECBINFHSA-N -1 3 221.300 3.075 20 0 BGADHM CC[C@H](C)CC(=O)Nc1c(C)cccc1[O-] ZINC000189942195 171262817 /nfs/dbraw/zinc/26/28/17/171262817.db2.gz JNKKBZCNMAHQJK-VIFPVBQESA-N -1 3 221.300 3.075 20 0 BGADHM C/C=C(\CC)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000190809588 385262900 /nfs/dbraw/zinc/26/29/00/385262900.db2.gz GWSOUJXCPWSJTH-FPYGCLRLSA-N -1 3 239.702 3.340 20 0 BGADHM [O-]c1cccc2ccc(/C=C/c3cocn3)nc12 ZINC000191237667 357758661 /nfs/dbraw/zinc/75/86/61/357758661.db2.gz GFTWOFREJXGOMJ-VOTSOKGWSA-N -1 3 238.246 3.099 20 0 BGADHM [O-]c1ccc(Cl)c(F)c1CN1CCCCC1 ZINC000191452781 632688409 /nfs/dbraw/zinc/68/84/09/632688409.db2.gz RYPKFNJFZHOXNY-UHFFFAOYSA-N -1 3 243.709 3.171 20 0 BGADHM C=C(C)CN(C)Cc1c([O-])ccc(Cl)c1F ZINC000191458700 632688842 /nfs/dbraw/zinc/68/88/42/632688842.db2.gz CQWWXOXKQJKAQN-UHFFFAOYSA-N -1 3 243.709 3.193 20 0 BGADHM CCc1ccc(C(=O)N(C)C[C@@H](C)CC)c([O-])c1 ZINC000191527682 411057085 /nfs/dbraw/zinc/05/70/85/411057085.db2.gz UFGAXUZYQIFSCJ-NSHDSACASA-N -1 3 249.354 3.073 20 0 BGADHM CCc1ccc(C(=O)N(C)C[C@H](C)CC)c([O-])c1 ZINC000191527696 411058162 /nfs/dbraw/zinc/05/81/62/411058162.db2.gz UFGAXUZYQIFSCJ-LLVKDONJSA-N -1 3 249.354 3.073 20 0 BGADHM CC(C)C(CNC(=O)c1cccc([O-])c1)C(C)C ZINC000191704829 387055171 /nfs/dbraw/zinc/05/51/71/387055171.db2.gz YYFULZYWSCGGCM-UHFFFAOYSA-N -1 3 249.354 3.050 20 0 BGADHM Cc1cc2c([n-]c(-c3cccs3)nc2=O)s1 ZINC000193913956 388470600 /nfs/dbraw/zinc/47/06/00/388470600.db2.gz JAZYGCGKHHKJEY-UHFFFAOYSA-N -1 3 248.332 3.022 20 0 BGADHM CC(C)c1cc(C(=O)N(C)C)c([O-])c(C(C)C)c1 ZINC000193996136 388720930 /nfs/dbraw/zinc/72/09/30/388720930.db2.gz REJDQFAQIOXBQA-UHFFFAOYSA-N -1 3 249.354 3.341 20 0 BGADHM c1coc(-c2nnc([N-]c3ccccc3)o2)c1 ZINC000196127709 347802772 /nfs/dbraw/zinc/80/27/72/347802772.db2.gz BPDJCCYITGMHOR-UHFFFAOYSA-N -1 3 227.223 3.073 20 0 BGADHM O=C(OCC1CCCC1)c1cc2occc2[n-]1 ZINC000201790264 589120432 /nfs/dbraw/zinc/12/04/32/589120432.db2.gz VWMMYMSRZPDNSK-UHFFFAOYSA-N -1 3 233.267 3.108 20 0 BGADHM Cc1cc(C(=O)OCc2ccccc2)ccc1[O-] ZINC000205995169 589480917 /nfs/dbraw/zinc/48/09/17/589480917.db2.gz MNIJQGPSTIJVOH-UHFFFAOYSA-N -1 3 242.274 3.058 20 0 BGADHM C[C@@H](CC1CCCCC1)[N-]C(=O)C(F)(F)F ZINC000208324029 589679834 /nfs/dbraw/zinc/67/98/34/589679834.db2.gz VMXHXPUHSWUSFX-QMMMGPOBSA-N -1 3 237.265 3.024 20 0 BGADHM CCC[C@@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000213520136 385776547 /nfs/dbraw/zinc/77/65/47/385776547.db2.gz GMYOBRGWBUYWPR-CYBMUJFWSA-N -1 3 247.338 3.187 20 0 BGADHM CCC[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000213520195 385776111 /nfs/dbraw/zinc/77/61/11/385776111.db2.gz GMYOBRGWBUYWPR-ZDUSSCGKSA-N -1 3 247.338 3.187 20 0 BGADHM O=C(Nc1c([O-])cccc1Cl)c1ccccc1 ZINC000214055473 409793178 /nfs/dbraw/zinc/79/31/78/409793178.db2.gz GNXATXYCEJTCRB-UHFFFAOYSA-N -1 3 247.681 3.298 20 0 BGADHM CC[C@@H]([N-]C(=O)C(F)F)c1ccc(Cl)cc1 ZINC000219709524 398103212 /nfs/dbraw/zinc/10/32/12/398103212.db2.gz BELWRQKNOVZUDJ-SECBINFHSA-N -1 3 247.672 3.172 20 0 BGADHM CC[C@H]([N-]C(=O)C(F)F)c1ccc(Cl)cc1 ZINC000219709587 398103797 /nfs/dbraw/zinc/10/37/97/398103797.db2.gz BELWRQKNOVZUDJ-VIFPVBQESA-N -1 3 247.672 3.172 20 0 BGADHM CC[C@@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000220405803 490599285 /nfs/dbraw/zinc/59/92/85/490599285.db2.gz FGOLVUNTECLWFG-SNVBAGLBSA-N -1 3 243.306 3.074 20 0 BGADHM CC[C@H](C)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000220405857 490599281 /nfs/dbraw/zinc/59/92/81/490599281.db2.gz FGOLVUNTECLWFG-JTQLQIEISA-N -1 3 243.306 3.074 20 0 BGADHM Cc1cc(C(=O)NCC(C)(C)C(C)C)ccc1[O-] ZINC000220944617 388608976 /nfs/dbraw/zinc/60/89/76/388608976.db2.gz ICVWBITYSKNCEH-UHFFFAOYSA-N -1 3 249.354 3.113 20 0 BGADHM Cc1cc(C(=O)Nc2ccccc2[O-])ccc1F ZINC000221542350 134324745 /nfs/dbraw/zinc/32/47/45/134324745.db2.gz OAUABVAIZHEJMD-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1ccc(NCc2cc([O-])cc(F)c2)c(C)n1 ZINC000223140098 134336974 /nfs/dbraw/zinc/33/69/74/134336974.db2.gz CSZFRZFSAXWTDV-UHFFFAOYSA-N -1 3 246.285 3.155 20 0 BGADHM [O-]c1cc(F)cc(CN2CCc3ccccc32)c1 ZINC000223751727 134339178 /nfs/dbraw/zinc/33/91/78/134339178.db2.gz KBUXAAJRYRDGOD-UHFFFAOYSA-N -1 3 243.281 3.094 20 0 BGADHM Cc1cccc(N(C)Cc2cc([O-])cc(F)c2)c1 ZINC000223758461 134339273 /nfs/dbraw/zinc/33/92/73/134339273.db2.gz DZUODIQIBLPAFN-UHFFFAOYSA-N -1 3 245.297 3.476 20 0 BGADHM CCC1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000223763787 134339402 /nfs/dbraw/zinc/33/94/02/134339402.db2.gz MFHBBSFOQXVXFO-UHFFFAOYSA-N -1 3 237.318 3.153 20 0 BGADHM CC1(C)CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000223766836 535315860 /nfs/dbraw/zinc/31/58/60/535315860.db2.gz QOCBEBUPDOLBBJ-UHFFFAOYSA-N -1 3 237.318 3.153 20 0 BGADHM CCCC[C@@H](CCC)[N-]C(=O)C(F)(F)F ZINC000226188529 350406786 /nfs/dbraw/zinc/40/67/86/350406786.db2.gz CWKRNFLQKMLGIR-MRVPVSSYSA-N -1 3 225.254 3.024 20 0 BGADHM CCCC[C@H](CCC)[N-]C(=O)C(F)(F)F ZINC000226188539 350407260 /nfs/dbraw/zinc/40/72/60/350407260.db2.gz CWKRNFLQKMLGIR-QMMMGPOBSA-N -1 3 225.254 3.024 20 0 BGADHM O=C(Nc1ccccc1)c1cc([O-])ccc1Cl ZINC000226433197 134362946 /nfs/dbraw/zinc/36/29/46/134362946.db2.gz YXADHPABGNYKCL-UHFFFAOYSA-N -1 3 247.681 3.298 20 0 BGADHM CCC(C)(CC)NC(=O)c1cccc(C)c1[O-] ZINC000226514622 388721519 /nfs/dbraw/zinc/72/15/19/388721519.db2.gz QIPXTDAIWVFUKA-UHFFFAOYSA-N -1 3 235.327 3.009 20 0 BGADHM CCC(C)(CC)NC(=O)c1cc(C)ccc1[O-] ZINC000226515110 388722192 /nfs/dbraw/zinc/72/21/92/388722192.db2.gz MSVPETFGTXKQSO-UHFFFAOYSA-N -1 3 235.327 3.009 20 0 BGADHM CCC(C)(CC)NC(=O)c1ccc(C)cc1[O-] ZINC000226515120 385788064 /nfs/dbraw/zinc/78/80/64/385788064.db2.gz DMRDXRUFRGAPRJ-UHFFFAOYSA-N -1 3 235.327 3.009 20 0 BGADHM Cc1cc(C(=O)N(C)C2CCCCC2)ccc1[O-] ZINC000226713587 134371018 /nfs/dbraw/zinc/37/10/18/134371018.db2.gz QLPWHEOVFXRSIZ-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1cccc(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000226713635 388727588 /nfs/dbraw/zinc/72/75/88/388727588.db2.gz GIPQJQWXPIWVSF-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM Cc1cc(C(=O)Nc2ccccc2C)ccc1[O-] ZINC000226713647 134370924 /nfs/dbraw/zinc/37/09/24/134370924.db2.gz FPKSOFLYVKWHJD-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM Cc1ccc(NC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000226713825 259617231 /nfs/dbraw/zinc/61/72/31/259617231.db2.gz BAVUGOWRBTZWES-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1[O-] ZINC000226714116 388727975 /nfs/dbraw/zinc/72/79/75/388727975.db2.gz NXDPVUDWSACZEP-GXFFZTMASA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)ccc1[O-] ZINC000226714122 388727679 /nfs/dbraw/zinc/72/76/79/388727679.db2.gz NXDPVUDWSACZEP-GWCFXTLKSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1[O-] ZINC000226714129 388727529 /nfs/dbraw/zinc/72/75/29/388727529.db2.gz NXDPVUDWSACZEP-ZWNOBZJWSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C)ccc1[O-] ZINC000226714136 388727467 /nfs/dbraw/zinc/72/74/67/388727467.db2.gz NXDPVUDWSACZEP-MFKMUULPSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C(=O)Nc2ccc(F)cc2)ccc1[O-] ZINC000226714956 134371072 /nfs/dbraw/zinc/37/10/72/134371072.db2.gz GEADJFUBXJCHNC-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1cc(C(=O)N[C@@H](C)CCC(C)C)ccc1[O-] ZINC000226715260 259617524 /nfs/dbraw/zinc/61/75/24/259617524.db2.gz PSAXDTJGNVPDGP-LBPRGKRZSA-N -1 3 249.354 3.255 20 0 BGADHM Cc1cc(C(=O)N[C@H](C)CCC(C)C)ccc1[O-] ZINC000226715266 388727747 /nfs/dbraw/zinc/72/77/47/388727747.db2.gz PSAXDTJGNVPDGP-GFCCVEGCSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@@H]1CCCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000226715305 350449913 /nfs/dbraw/zinc/44/99/13/350449913.db2.gz FEUYZXYLHIMXRP-CYBMUJFWSA-N -1 3 247.338 3.105 20 0 BGADHM CC[C@H]1CCCCN1C(=O)c1ccc([O-])c(C)c1 ZINC000226715312 386368250 /nfs/dbraw/zinc/36/82/50/386368250.db2.gz FEUYZXYLHIMXRP-ZDUSSCGKSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1cc(C(=O)Nc2cccc(F)c2)ccc1[O-] ZINC000226715340 134371035 /nfs/dbraw/zinc/37/10/35/134371035.db2.gz IECIYUCUHYUWOH-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C)C2)ccc1[O-] ZINC000226716134 388727351 /nfs/dbraw/zinc/72/73/51/388727351.db2.gz DEPYUYXLXJYLIY-ZWNOBZJWSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C(=O)N[C@H]2CCC[C@@H](C)C2)ccc1[O-] ZINC000226716139 388727926 /nfs/dbraw/zinc/72/79/26/388727926.db2.gz DEPYUYXLXJYLIY-MFKMUULPSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C(=O)N[C@@H]2CCC[C@H](C)C2)ccc1[O-] ZINC000226716145 388727717 /nfs/dbraw/zinc/72/77/17/388727717.db2.gz DEPYUYXLXJYLIY-GXFFZTMASA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C(=O)N[C@H]2CCC[C@H](C)C2)ccc1[O-] ZINC000226716153 388727915 /nfs/dbraw/zinc/72/79/15/388727915.db2.gz DEPYUYXLXJYLIY-GWCFXTLKSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C(=O)Nc2ccsc2)ccc1[O-] ZINC000226717819 134370655 /nfs/dbraw/zinc/37/06/55/134370655.db2.gz MNPGMTUUZYODQJ-UHFFFAOYSA-N -1 3 233.292 3.014 20 0 BGADHM CCC1(CNC(=O)c2ccc([O-])c(C)c2)CCC1 ZINC000226718542 388727846 /nfs/dbraw/zinc/72/78/46/388727846.db2.gz ZZGSUXUZLZBODZ-UHFFFAOYSA-N -1 3 247.338 3.011 20 0 BGADHM CCN(C(=O)c1ccc([O-])c(C)c1)C1CCCC1 ZINC000226718663 387951659 /nfs/dbraw/zinc/95/16/59/387951659.db2.gz NNLZXDVVVXTTPH-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1cc(C(=O)Nc2ccccc2F)ccc1[O-] ZINC000226951148 134371190 /nfs/dbraw/zinc/37/11/90/134371190.db2.gz WPGYRYGULUYKTP-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1cc(C(=O)NC2CCCCCC2)ccc1[O-] ZINC000226951957 259622314 /nfs/dbraw/zinc/62/23/14/259622314.db2.gz MGGLXGXCMYAATD-UHFFFAOYSA-N -1 3 247.338 3.153 20 0 BGADHM CCCCN(C(=O)c1ccc([O-])c(C)c1)C1CC1 ZINC000226954704 386437688 /nfs/dbraw/zinc/43/76/88/386437688.db2.gz MKESHAQOOFUSJU-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1cc(C(=O)NCC2(C)CCCC2)ccc1[O-] ZINC000226996837 388736062 /nfs/dbraw/zinc/73/60/62/388736062.db2.gz SAQRXQAJVGQYEM-UHFFFAOYSA-N -1 3 247.338 3.011 20 0 BGADHM CCC(C)(CC)NC(=O)c1ccc([O-])c(C)c1 ZINC000226997247 259623243 /nfs/dbraw/zinc/62/32/43/259623243.db2.gz OHDHGAITBSUALS-UHFFFAOYSA-N -1 3 235.327 3.009 20 0 BGADHM CCC(CC)(CC)NC(=O)c1ccc([O-])c(C)c1 ZINC000226998077 388736125 /nfs/dbraw/zinc/73/61/25/388736125.db2.gz XVVHKVUXVPJYGH-UHFFFAOYSA-N -1 3 249.354 3.399 20 0 BGADHM Cc1cc(C(=O)NCC2CCCCC2)ccc1[O-] ZINC000227012271 388737084 /nfs/dbraw/zinc/73/70/84/388737084.db2.gz CELSJXJEZWNTTH-UHFFFAOYSA-N -1 3 247.338 3.011 20 0 BGADHM Cc1cc(C(=O)N2CCCCCCC2)ccc1[O-] ZINC000227015593 387954815 /nfs/dbraw/zinc/95/48/15/387954815.db2.gz BCDOLHCTXYFCAS-UHFFFAOYSA-N -1 3 247.338 3.107 20 0 BGADHM Cc1cc(C(=O)NCCC2CCCC2)ccc1[O-] ZINC000227016446 388736550 /nfs/dbraw/zinc/73/65/50/388736550.db2.gz YWYCSXJLEBPIDT-UHFFFAOYSA-N -1 3 247.338 3.011 20 0 BGADHM Cc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)ccc1[O-] ZINC000227016706 358347463 /nfs/dbraw/zinc/34/74/63/358347463.db2.gz NFBKSQKSGVHDRU-NSHDSACASA-N -1 3 249.354 3.207 20 0 BGADHM Cc1cc(C(=O)N(C)[C@H](C)C(C)(C)C)ccc1[O-] ZINC000227016719 358347231 /nfs/dbraw/zinc/34/72/31/358347231.db2.gz NFBKSQKSGVHDRU-LLVKDONJSA-N -1 3 249.354 3.207 20 0 BGADHM Cc1cc(C(=O)NC2(C)CCCCC2)ccc1[O-] ZINC000227021023 388737195 /nfs/dbraw/zinc/73/71/95/388737195.db2.gz JCHOAMWBMRJEHQ-UHFFFAOYSA-N -1 3 247.338 3.153 20 0 BGADHM CCC[C@@H](CC)NC(=O)c1ccc([O-])c(C)c1 ZINC000227023301 169378234 /nfs/dbraw/zinc/37/82/34/169378234.db2.gz UFFZVHFLLFMMNQ-GFCCVEGCSA-N -1 3 235.327 3.009 20 0 BGADHM CCC[C@H](CC)NC(=O)c1ccc([O-])c(C)c1 ZINC000227023308 386445972 /nfs/dbraw/zinc/44/59/72/386445972.db2.gz UFFZVHFLLFMMNQ-LBPRGKRZSA-N -1 3 235.327 3.009 20 0 BGADHM CCCC(C)(C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227024048 386448821 /nfs/dbraw/zinc/44/88/21/386448821.db2.gz MMWZRIUXZWKUNE-UHFFFAOYSA-N -1 3 235.327 3.009 20 0 BGADHM Cc1cc(C(=O)N(CC(C)C)C(C)C)ccc1[O-] ZINC000227024337 386447596 /nfs/dbraw/zinc/44/75/96/386447596.db2.gz GAYOVOJWTIXAPE-UHFFFAOYSA-N -1 3 249.354 3.207 20 0 BGADHM Cc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)ccc1[O-] ZINC000227026433 386446306 /nfs/dbraw/zinc/44/63/06/386446306.db2.gz FFSLIIHXYFASGE-RYUDHWBXSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)ccc1[O-] ZINC000227026441 386448710 /nfs/dbraw/zinc/44/87/10/386448710.db2.gz FFSLIIHXYFASGE-TXEJJXNPSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)ccc1[O-] ZINC000227026455 386447385 /nfs/dbraw/zinc/44/73/85/386447385.db2.gz FFSLIIHXYFASGE-VXGBXAGGSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1cc(C(=O)N[C@@H](C)C2CCCC2)ccc1[O-] ZINC000227030225 386452034 /nfs/dbraw/zinc/45/20/34/386452034.db2.gz HZFREKWSQLVFFT-NSHDSACASA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C(=O)N[C@H](C)C2CCCC2)ccc1[O-] ZINC000227030233 386451430 /nfs/dbraw/zinc/45/14/30/386451430.db2.gz HZFREKWSQLVFFT-LLVKDONJSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C(=O)N2CCCCC[C@@H]2C)ccc1[O-] ZINC000227030333 388737949 /nfs/dbraw/zinc/73/79/49/388737949.db2.gz RIRWWGNTPKLSOQ-LBPRGKRZSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1cc(C(=O)N2CCCCC[C@H]2C)ccc1[O-] ZINC000227030345 388738167 /nfs/dbraw/zinc/73/81/67/388738167.db2.gz RIRWWGNTPKLSOQ-GFCCVEGCSA-N -1 3 247.338 3.105 20 0 BGADHM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227035302 388737924 /nfs/dbraw/zinc/73/79/24/388737924.db2.gz RLLUWSJEAAIXSJ-ZYHUDNBSSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227035307 388737798 /nfs/dbraw/zinc/73/77/98/388737798.db2.gz RLLUWSJEAAIXSJ-CMPLNLGQSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227035311 388738193 /nfs/dbraw/zinc/73/81/93/388738193.db2.gz RLLUWSJEAAIXSJ-PWSUYJOCSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@H](C)C[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000227035315 388737679 /nfs/dbraw/zinc/73/76/79/388737679.db2.gz RLLUWSJEAAIXSJ-JQWIXIFHSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@@H](C)CN(CC)C(=O)c1ccc([O-])c(C)c1 ZINC000227038036 386451347 /nfs/dbraw/zinc/45/13/47/386451347.db2.gz ODWNFONWYRDEKS-LLVKDONJSA-N -1 3 249.354 3.209 20 0 BGADHM CC[C@H](C)CN(CC)C(=O)c1ccc([O-])c(C)c1 ZINC000227038040 171278500 /nfs/dbraw/zinc/27/85/00/171278500.db2.gz ODWNFONWYRDEKS-NSHDSACASA-N -1 3 249.354 3.209 20 0 BGADHM Cc1cc(C(=O)N[C@@H]2CCCC2(C)C)ccc1[O-] ZINC000227038459 386452109 /nfs/dbraw/zinc/45/21/09/386452109.db2.gz ICISXAQKJFYKGM-CYBMUJFWSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C(=O)N[C@H]2CCCC2(C)C)ccc1[O-] ZINC000227038468 386451742 /nfs/dbraw/zinc/45/17/42/386451742.db2.gz ICISXAQKJFYKGM-ZDUSSCGKSA-N -1 3 247.338 3.009 20 0 BGADHM CCCC1(CNC(=O)c2ccc([O-])c(C)c2)CC1 ZINC000227039911 259624102 /nfs/dbraw/zinc/62/41/02/259624102.db2.gz AXZBURWVWFQXQT-UHFFFAOYSA-N -1 3 247.338 3.011 20 0 BGADHM Cc1cc(C(=O)N[C@@H]2CCC(C)(C)C2)ccc1[O-] ZINC000227052369 134374317 /nfs/dbraw/zinc/37/43/17/134374317.db2.gz HMJSXPOGRXETEY-GFCCVEGCSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C(=O)N[C@H]2CCC(C)(C)C2)ccc1[O-] ZINC000227052376 134374377 /nfs/dbraw/zinc/37/43/77/134374377.db2.gz HMJSXPOGRXETEY-LBPRGKRZSA-N -1 3 247.338 3.009 20 0 BGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc([O-])c(C)c1 ZINC000227057858 386453800 /nfs/dbraw/zinc/45/38/00/386453800.db2.gz ZUEXYOVYIRWMPH-DGCLKSJQSA-N -1 3 247.338 3.104 20 0 BGADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc([O-])c(C)c1 ZINC000227057867 386453577 /nfs/dbraw/zinc/45/35/77/386453577.db2.gz ZUEXYOVYIRWMPH-YPMHNXCESA-N -1 3 247.338 3.104 20 0 BGADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc([O-])c(C)c1 ZINC000227057876 171052466 /nfs/dbraw/zinc/05/24/66/171052466.db2.gz ZUEXYOVYIRWMPH-WCQYABFASA-N -1 3 247.338 3.104 20 0 BGADHM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc([O-])c(C)c1 ZINC000227057886 386454212 /nfs/dbraw/zinc/45/42/12/386454212.db2.gz ZUEXYOVYIRWMPH-AAEUAGOBSA-N -1 3 247.338 3.104 20 0 BGADHM CCCC[C@@H](CCC)NC(=O)c1cccc([O-])c1 ZINC000227616996 388753245 /nfs/dbraw/zinc/75/32/45/388753245.db2.gz YAQLEFZGWJFPFQ-CYBMUJFWSA-N -1 3 249.354 3.481 20 0 BGADHM CCCC[C@H](CCC)NC(=O)c1cccc([O-])c1 ZINC000227617003 388753912 /nfs/dbraw/zinc/75/39/12/388753912.db2.gz YAQLEFZGWJFPFQ-ZDUSSCGKSA-N -1 3 249.354 3.481 20 0 BGADHM CC1(CNC(=O)c2cccc([O-])c2)CCCCC1 ZINC000227617347 134388448 /nfs/dbraw/zinc/38/84/48/134388448.db2.gz LZYMIBDIKBKREX-UHFFFAOYSA-N -1 3 247.338 3.092 20 0 BGADHM CC1(C)CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000228750622 388772790 /nfs/dbraw/zinc/77/27/90/388772790.db2.gz JIDBFZDQEZNMAC-UHFFFAOYSA-N -1 3 237.318 3.153 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CCCC2(C)C)c([O-])c1 ZINC000228836462 388774580 /nfs/dbraw/zinc/77/45/80/388774580.db2.gz OPOMRACAEOTOPR-NSHDSACASA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2CCCC2(C)C)c([O-])c1 ZINC000228836476 259637140 /nfs/dbraw/zinc/63/71/40/259637140.db2.gz OPOMRACAEOTOPR-LLVKDONJSA-N -1 3 247.338 3.465 20 0 BGADHM C/C=C\COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000229939286 640995841 /nfs/dbraw/zinc/99/58/41/640995841.db2.gz MVCKHWCRIUVTTA-IHWYPQMZSA-N -1 3 234.082 3.054 20 0 BGADHM C[C@@H]1CCC[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000230043631 388349774 /nfs/dbraw/zinc/34/97/74/388349774.db2.gz GPEXYTWDGOVVLM-SKDRFNHKSA-N -1 3 244.294 3.346 20 0 BGADHM C[C@H]1CCC[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000230043638 388811568 /nfs/dbraw/zinc/81/15/68/388811568.db2.gz GPEXYTWDGOVVLM-CABZTGNLSA-N -1 3 244.294 3.346 20 0 BGADHM C[C@@H]1CCC[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000230043645 388811055 /nfs/dbraw/zinc/81/10/55/388811055.db2.gz GPEXYTWDGOVVLM-BXKDBHETSA-N -1 3 244.294 3.346 20 0 BGADHM C[C@H]1CCC[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000230043652 388811402 /nfs/dbraw/zinc/81/14/02/388811402.db2.gz GPEXYTWDGOVVLM-JOYOIKCWSA-N -1 3 244.294 3.346 20 0 BGADHM CCCC1(CNC(=O)c2cccc(C)c2[O-])CC1 ZINC000230163174 388817878 /nfs/dbraw/zinc/81/78/78/388817878.db2.gz HZXGUNNTFWNDIG-UHFFFAOYSA-N -1 3 247.338 3.011 20 0 BGADHM Cc1cccc(C(=O)Nc2ccccc2[O-])c1F ZINC000230205597 387247289 /nfs/dbraw/zinc/24/72/89/387247289.db2.gz NYOAWZCWJXNOOI-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM Cc1cccc(-c2nc([C@@H]3CC3(C)C)no2)c1[O-] ZINC000230996113 353557156 /nfs/dbraw/zinc/55/71/56/353557156.db2.gz QLXNYZOWUPGDBV-JTQLQIEISA-N -1 3 244.294 3.264 20 0 BGADHM Cc1cccc(-c2nc([C@H]3CC3(C)C)no2)c1[O-] ZINC000230996116 353556875 /nfs/dbraw/zinc/55/68/75/353556875.db2.gz QLXNYZOWUPGDBV-SNVBAGLBSA-N -1 3 244.294 3.264 20 0 BGADHM Cc1ccc([O-])c(-c2nc([C@@H]3CC3(C)C)no2)c1 ZINC000230996160 385773886 /nfs/dbraw/zinc/77/38/86/385773886.db2.gz NTRDUSGGTQMWNN-JTQLQIEISA-N -1 3 244.294 3.264 20 0 BGADHM Cc1ccc([O-])c(-c2nc([C@H]3CC3(C)C)no2)c1 ZINC000230996164 385773937 /nfs/dbraw/zinc/77/39/37/385773937.db2.gz NTRDUSGGTQMWNN-SNVBAGLBSA-N -1 3 244.294 3.264 20 0 BGADHM Cc1ccc(-c2nc([C@@H]3CC3(C)C)no2)c([O-])c1 ZINC000230996256 353557143 /nfs/dbraw/zinc/55/71/43/353557143.db2.gz IHJYAOWCFAROIN-JTQLQIEISA-N -1 3 244.294 3.264 20 0 BGADHM Cc1ccc(-c2nc([C@H]3CC3(C)C)no2)c([O-])c1 ZINC000230996260 353557012 /nfs/dbraw/zinc/55/70/12/353557012.db2.gz IHJYAOWCFAROIN-SNVBAGLBSA-N -1 3 244.294 3.264 20 0 BGADHM O=C(CC1CCC1)Nc1ccc([O-])cc1Cl ZINC000232162023 351999783 /nfs/dbraw/zinc/99/97/83/351999783.db2.gz OODUIJQPPDLKFM-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM [O-]c1ccc(CN2CCc3ccccc32)cc1F ZINC000232449555 711760708 /nfs/dbraw/zinc/76/07/08/711760708.db2.gz DFYCTNHHYJJWMP-UHFFFAOYSA-N -1 3 243.281 3.094 20 0 BGADHM CN(Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000232449579 641273935 /nfs/dbraw/zinc/27/39/35/641273935.db2.gz WDGFWORJVWNZDM-UHFFFAOYSA-N -1 3 231.270 3.168 20 0 BGADHM Cc1cccc(N(C)Cc2ccc([O-])c(F)c2)c1 ZINC000232449789 641274453 /nfs/dbraw/zinc/27/44/53/641274453.db2.gz OTUHNUVVTYVKKX-UHFFFAOYSA-N -1 3 245.297 3.476 20 0 BGADHM CC1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC000232829596 353646590 /nfs/dbraw/zinc/64/65/90/353646590.db2.gz VFPIEOQHVBGRNJ-UHFFFAOYSA-N -1 3 247.338 3.092 20 0 BGADHM CC1(C)C[C@@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000232850410 353813384 /nfs/dbraw/zinc/81/33/84/353813384.db2.gz OLLJQSULLKEDKM-MRVPVSSYSA-N -1 3 239.702 3.030 20 0 BGADHM CCC1(CNC(=O)c2ccccc2[O-])CCCC1 ZINC000232969588 372184339 /nfs/dbraw/zinc/18/43/39/372184339.db2.gz RZDMQPUMNIKIBS-UHFFFAOYSA-N -1 3 247.338 3.092 20 0 BGADHM CC[C@@H]([N-]C(=O)C(F)F)c1cccc(Cl)c1 ZINC000233902365 386011496 /nfs/dbraw/zinc/01/14/96/386011496.db2.gz JZIKGFDFRRFSMS-SECBINFHSA-N -1 3 247.672 3.172 20 0 BGADHM CC[C@H]([N-]C(=O)C(F)F)c1cccc(Cl)c1 ZINC000234028792 386020969 /nfs/dbraw/zinc/02/09/69/386020969.db2.gz JZIKGFDFRRFSMS-VIFPVBQESA-N -1 3 247.672 3.172 20 0 BGADHM CCc1occc1C(=O)Nc1ccc(C)cc1[O-] ZINC000234184808 357776404 /nfs/dbraw/zinc/77/64/04/357776404.db2.gz QLVBJKGEIVVSJB-UHFFFAOYSA-N -1 3 245.278 3.108 20 0 BGADHM O=C(C=C1CCCCC1)Nc1ccccc1[O-] ZINC000240714624 398159093 /nfs/dbraw/zinc/15/90/93/398159093.db2.gz ANMVUMDMUUNYCQ-UHFFFAOYSA-N -1 3 231.295 3.221 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245535927 387955561 /nfs/dbraw/zinc/95/55/61/387955561.db2.gz KZAFNYMLQZXFLJ-PJXYFTJBSA-N -1 3 245.322 3.075 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000246444532 388636234 /nfs/dbraw/zinc/63/62/34/388636234.db2.gz IBHPLOJYGJPBOU-YABSGUDNSA-N -1 3 245.322 3.075 20 0 BGADHM C[C@H]1C[C@H](C(=O)Nc2ccccc2[O-])C[C@@H](C)C1 ZINC000248572035 135005002 /nfs/dbraw/zinc/00/50/02/135005002.db2.gz OMHLECNFNNIVIF-GDNZZTSVSA-N -1 3 247.338 3.403 20 0 BGADHM Cc1cccc(C(=O)N[C@H]2CC[C@H](C)CC2)c1[O-] ZINC000252961681 388794676 /nfs/dbraw/zinc/79/46/76/388794676.db2.gz OJIMYLRWSSJRKL-UMSPYCQHSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc([O-])c(C(=O)N[C@H]2CC[C@H](C)CC2)c1 ZINC000252964832 388795369 /nfs/dbraw/zinc/79/53/69/388795369.db2.gz RJPSXUBVZFDHFH-UMSPYCQHSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc(C(=O)N[C@H]2CC[C@H](C)CC2)c([O-])c1 ZINC000252972731 325701845 /nfs/dbraw/zinc/70/18/45/325701845.db2.gz ZSIVXDPDGHLFOT-UMSPYCQHSA-N -1 3 247.338 3.009 20 0 BGADHM O=c1cc(C=Cc2ccccc2)nc(C2CC2)[n-]1 ZINC000253425725 183257551 /nfs/dbraw/zinc/25/75/51/183257551.db2.gz GRAVFZWLYHZBPK-RMKNXTFCSA-N -1 3 238.290 3.230 20 0 BGADHM CC/C(C)=C/C(=O)Nc1cc(Cl)ccc1[O-] ZINC000253463111 643735927 /nfs/dbraw/zinc/73/59/27/643735927.db2.gz MQZQHTCDGWAOEB-SOFGYWHQSA-N -1 3 239.702 3.340 20 0 BGADHM O=C(/C=C/C1CCCC1)Nc1ccccc1[O-] ZINC000253467264 388818179 /nfs/dbraw/zinc/81/81/79/388818179.db2.gz YYTDYNMZLDOVNF-MDZDMXLPSA-N -1 3 231.295 3.077 20 0 BGADHM CC(C)(C)/C=C\C(=O)Nc1cccc([O-])c1F ZINC000254927797 388865002 /nfs/dbraw/zinc/86/50/02/388865002.db2.gz KYYKXTXQPOFHJS-FPLPWBNLSA-N -1 3 237.274 3.072 20 0 BGADHM CC(C)(C)/C=C\C(=O)Nc1cc(F)ccc1[O-] ZINC000254941080 325777987 /nfs/dbraw/zinc/77/79/87/325777987.db2.gz JGBCRAGSBOUWQV-SREVYHEPSA-N -1 3 237.274 3.072 20 0 BGADHM Cc1cccc([O-])c1NC(=O)/C=C\C(C)(C)C ZINC000255354904 343580649 /nfs/dbraw/zinc/58/06/49/343580649.db2.gz LLZVONGVRXZCBW-HJWRWDBZSA-N -1 3 233.311 3.241 20 0 BGADHM Cc1ccc(NC(=O)/C=C\C(C)(C)C)c([O-])c1 ZINC000255586720 384875362 /nfs/dbraw/zinc/87/53/62/384875362.db2.gz ZBLWZWWRFQGYHA-FPLPWBNLSA-N -1 3 233.311 3.241 20 0 BGADHM C[C@H]1C[C@@H]1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000261455109 632952434 /nfs/dbraw/zinc/95/24/34/632952434.db2.gz YWIVOYPAPNPWAA-NTSWFWBYSA-N -1 3 248.109 3.134 20 0 BGADHM C[C@@H]1C[C@@H]1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000261455110 635407032 /nfs/dbraw/zinc/40/70/32/635407032.db2.gz YWIVOYPAPNPWAA-PHDIDXHHSA-N -1 3 248.109 3.134 20 0 BGADHM C[C@@H]1C[C@H]1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000261455114 635406942 /nfs/dbraw/zinc/40/69/42/635406942.db2.gz YWIVOYPAPNPWAA-RITPCOANSA-N -1 3 248.109 3.134 20 0 BGADHM C[C@H]1C[C@H]1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000261455116 635406188 /nfs/dbraw/zinc/40/61/88/635406188.db2.gz YWIVOYPAPNPWAA-WDSKDSINSA-N -1 3 248.109 3.134 20 0 BGADHM Cc1ccc(C(=O)N(C)CC(C)(C)C)c([O-])c1C ZINC000263791499 178376843 /nfs/dbraw/zinc/37/68/43/178376843.db2.gz QTUXENRWSCXSBA-UHFFFAOYSA-N -1 3 249.354 3.127 20 0 BGADHM CC(C)N(C(=O)c1ccccc1[O-])C1CCCC1 ZINC000264050834 386206155 /nfs/dbraw/zinc/20/61/55/386206155.db2.gz MEQGMPJVOBMNCQ-UHFFFAOYSA-N -1 3 247.338 3.185 20 0 BGADHM CC(C)(C)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000264396715 188370522 /nfs/dbraw/zinc/37/05/22/188370522.db2.gz VAZWHQDPLAAXPF-CYBMUJFWSA-N -1 3 247.338 3.043 20 0 BGADHM CC(C)(C)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000264396718 188194805 /nfs/dbraw/zinc/19/48/05/188194805.db2.gz VAZWHQDPLAAXPF-ZDUSSCGKSA-N -1 3 247.338 3.043 20 0 BGADHM C/C(=C/c1nc(-c2ccc([O-])cc2)no1)C1CC1 ZINC000264596162 187332132 /nfs/dbraw/zinc/33/21/32/187332132.db2.gz GRMOGNFEXXYYMQ-HJWRWDBZSA-N -1 3 242.278 3.256 20 0 BGADHM [O-]c1ccc(-c2noc([C@@H]3CC=CCC3)n2)cc1 ZINC000264611076 183265628 /nfs/dbraw/zinc/26/56/28/183265628.db2.gz KGEIHYOMYVMPAV-LLVKDONJSA-N -1 3 242.278 3.266 20 0 BGADHM [O-]c1ccc(-c2noc([C@H]3CC=CCC3)n2)cc1 ZINC000264611078 183265676 /nfs/dbraw/zinc/26/56/76/183265676.db2.gz KGEIHYOMYVMPAV-NSHDSACASA-N -1 3 242.278 3.266 20 0 BGADHM CC[C@H](C)CN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000264703960 171271468 /nfs/dbraw/zinc/27/14/68/171271468.db2.gz AKEKPYLWNDWNMX-JTQLQIEISA-N -1 3 249.354 3.127 20 0 BGADHM CC[C@@H](C)CN(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000264703964 386264439 /nfs/dbraw/zinc/26/44/39/386264439.db2.gz AKEKPYLWNDWNMX-SNVBAGLBSA-N -1 3 249.354 3.127 20 0 BGADHM Cc1ccc(NC(=O)[C@H](C)C(C)(C)C)c([O-])c1 ZINC000265148482 398129808 /nfs/dbraw/zinc/12/98/08/398129808.db2.gz ALUKWRCPNHTTFL-JTQLQIEISA-N -1 3 235.327 3.321 20 0 BGADHM Cc1ccc(NC(=O)[C@@H](C)C(C)(C)C)c([O-])c1 ZINC000265148484 398129826 /nfs/dbraw/zinc/12/98/26/398129826.db2.gz ALUKWRCPNHTTFL-SNVBAGLBSA-N -1 3 235.327 3.321 20 0 BGADHM C[C@H](C(=O)Nc1ccccc1[O-])C(C)(C)C ZINC000265199200 386315958 /nfs/dbraw/zinc/31/59/58/386315958.db2.gz QJRMBKGFDGNSRO-SECBINFHSA-N -1 3 221.300 3.013 20 0 BGADHM C[C@@H](C(=O)Nc1ccccc1[O-])C(C)(C)C ZINC000265199201 386315817 /nfs/dbraw/zinc/31/58/17/386315817.db2.gz QJRMBKGFDGNSRO-VIFPVBQESA-N -1 3 221.300 3.013 20 0 BGADHM CC(C)[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000265332357 187234921 /nfs/dbraw/zinc/23/49/21/187234921.db2.gz YUVOWCIYMKQOPZ-CYBMUJFWSA-N -1 3 247.338 3.043 20 0 BGADHM CC(C)[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000265332358 388992845 /nfs/dbraw/zinc/99/28/45/388992845.db2.gz YUVOWCIYMKQOPZ-ZDUSSCGKSA-N -1 3 247.338 3.043 20 0 BGADHM CC(C)c1noc([N-][C@@H]2CCc3ccccc32)n1 ZINC000265646136 386355586 /nfs/dbraw/zinc/35/55/86/386355586.db2.gz TURWEUIASINVQS-GFCCVEGCSA-N -1 3 243.310 3.292 20 0 BGADHM CCC1(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000267294045 386524084 /nfs/dbraw/zinc/52/40/84/386524084.db2.gz CZLNMQFMPHBUMB-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM C[C@H](C(=O)Nc1cc(F)ccc1[O-])C(C)(C)C ZINC000267383150 397947351 /nfs/dbraw/zinc/94/73/51/397947351.db2.gz VFPMZCWTDQQPHB-MRVPVSSYSA-N -1 3 239.290 3.152 20 0 BGADHM C[C@@H](C(=O)Nc1cc(F)ccc1[O-])C(C)(C)C ZINC000267383151 397947331 /nfs/dbraw/zinc/94/73/31/397947331.db2.gz VFPMZCWTDQQPHB-QMMMGPOBSA-N -1 3 239.290 3.152 20 0 BGADHM CC1(C(=O)Nc2cc(Cl)ccc2[O-])CCC1 ZINC000267436784 386542516 /nfs/dbraw/zinc/54/25/16/386542516.db2.gz BLHMFWFFBUNZHC-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM C[C@@H]1CC/C(=C\C(=O)Nc2ccccc2[O-])C1 ZINC000268075257 176056945 /nfs/dbraw/zinc/05/69/45/176056945.db2.gz CECNXPPQNWZLKC-OYVNLZQHSA-N -1 3 231.295 3.077 20 0 BGADHM C[C@H]1CC/C(=C\C(=O)Nc2ccccc2[O-])C1 ZINC000268075258 177066965 /nfs/dbraw/zinc/06/69/65/177066965.db2.gz CECNXPPQNWZLKC-SPQRFVMMSA-N -1 3 231.295 3.077 20 0 BGADHM O=C(C=C(C1CC1)C1CC1)Nc1ccccc1[O-] ZINC000268563733 386662869 /nfs/dbraw/zinc/66/28/69/386662869.db2.gz HOOXRVQOTRIZGL-UHFFFAOYSA-N -1 3 243.306 3.077 20 0 BGADHM CC1(C(=O)Nc2ccc(Cl)cc2[O-])CCC1 ZINC000270023278 188374869 /nfs/dbraw/zinc/37/48/69/188374869.db2.gz FKFONSNIBLPAJM-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM CCC1(C(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000270061942 385665830 /nfs/dbraw/zinc/66/58/30/385665830.db2.gz KHEMKADKRVCGCK-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM O=C(CC1CCC1)Nc1ccc(Cl)cc1[O-] ZINC000270086157 187334456 /nfs/dbraw/zinc/33/44/56/187334456.db2.gz NJJIHQLTHLSFNV-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM CC1(C(=O)Nc2cc(F)ccc2[O-])CCCC1 ZINC000270338045 167873096 /nfs/dbraw/zinc/87/30/96/167873096.db2.gz AWROEOUZHHHWEU-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM O=C(C=C1CCC1)Nc1ccc(Cl)cc1[O-] ZINC000270370088 385701082 /nfs/dbraw/zinc/70/10/82/385701082.db2.gz LRMNVYNSOSCVIL-UHFFFAOYSA-N -1 3 237.686 3.094 20 0 BGADHM CCCN(CCC)C(=O)c1ccc(C)c(C)c1[O-] ZINC000271207795 169145577 /nfs/dbraw/zinc/14/55/77/169145577.db2.gz KPZFBQAQKSZOHI-UHFFFAOYSA-N -1 3 249.354 3.271 20 0 BGADHM Cc1ccc(C(=O)N2CCCC[C@H]2C)c([O-])c1C ZINC000271207840 178386858 /nfs/dbraw/zinc/38/68/58/178386858.db2.gz KVGNJRCXPIJDIR-LLVKDONJSA-N -1 3 247.338 3.024 20 0 BGADHM Cc1ccc(C(=O)N2CCCC[C@@H]2C)c([O-])c1C ZINC000271207841 178386468 /nfs/dbraw/zinc/38/64/68/178386468.db2.gz KVGNJRCXPIJDIR-NSHDSACASA-N -1 3 247.338 3.024 20 0 BGADHM CCCN(C(=O)c1ccc(C)c(C)c1[O-])C1CC1 ZINC000271226092 169045824 /nfs/dbraw/zinc/04/58/24/169045824.db2.gz DPYBMQXMHLFFLP-UHFFFAOYSA-N -1 3 247.338 3.024 20 0 BGADHM CCC[C@@H](C)N(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000271228710 169363800 /nfs/dbraw/zinc/36/38/00/169363800.db2.gz IAHDUUDQFDPHFT-LLVKDONJSA-N -1 3 249.354 3.270 20 0 BGADHM CCC[C@H](C)N(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000271228711 385808201 /nfs/dbraw/zinc/80/82/01/385808201.db2.gz IAHDUUDQFDPHFT-NSHDSACASA-N -1 3 249.354 3.270 20 0 BGADHM Cc1ccc(C(=O)N(C)[C@H](C)C(C)C)c([O-])c1C ZINC000271236253 178379947 /nfs/dbraw/zinc/37/99/47/178379947.db2.gz WTRCSONMVWVVLE-GFCCVEGCSA-N -1 3 249.354 3.126 20 0 BGADHM Cc1ccc(C(=O)N(C)[C@@H](C)C(C)C)c([O-])c1C ZINC000271236254 178379989 /nfs/dbraw/zinc/37/99/89/178379989.db2.gz WTRCSONMVWVVLE-LBPRGKRZSA-N -1 3 249.354 3.126 20 0 BGADHM CCN(C(=O)c1ccc(C(C)C)cc1[O-])C(C)C ZINC000271270501 385813593 /nfs/dbraw/zinc/81/35/93/385813593.db2.gz OHBWDKKGQQVXGW-UHFFFAOYSA-N -1 3 249.354 3.386 20 0 BGADHM Cc1cccc([O-])c1NC(=O)CC(C)(C)C ZINC000271292885 179161169 /nfs/dbraw/zinc/16/11/69/179161169.db2.gz COYRDJOFULANCB-UHFFFAOYSA-N -1 3 221.300 3.075 20 0 BGADHM CCC(C)(C)N(C)C(=O)c1ccc(C)c(C)c1[O-] ZINC000271323710 168284331 /nfs/dbraw/zinc/28/43/31/168284331.db2.gz USJJBWLWEZUMTF-UHFFFAOYSA-N -1 3 249.354 3.270 20 0 BGADHM Cc1ccc(C(=O)N(C(C)C)C2CC2)c([O-])c1C ZINC000271326391 178375057 /nfs/dbraw/zinc/37/50/57/178375057.db2.gz VCVYUGGEXUWBRP-UHFFFAOYSA-N -1 3 247.338 3.022 20 0 BGADHM CC(C)c1ccc(C(=O)N(C)C2CCC2)c([O-])c1 ZINC000271337970 385819504 /nfs/dbraw/zinc/81/95/04/385819504.db2.gz FNVVEGAZRRQBEP-UHFFFAOYSA-N -1 3 247.338 3.140 20 0 BGADHM Cc1ccc(C(=O)N2CCCC2(C)C)c([O-])c1C ZINC000271372474 178386026 /nfs/dbraw/zinc/38/60/26/178386026.db2.gz ZJPWYUGRBPJMNN-UHFFFAOYSA-N -1 3 247.338 3.024 20 0 BGADHM CCCCCC(=O)Nc1c(C)cccc1[O-] ZINC000271410306 385826742 /nfs/dbraw/zinc/82/67/42/385826742.db2.gz YQPMZLFUWXOYSD-UHFFFAOYSA-N -1 3 221.300 3.219 20 0 BGADHM Cc1ccc(C)c(NC(=O)[N-]OC2CCCC2)c1 ZINC000271641733 385844618 /nfs/dbraw/zinc/84/46/18/385844618.db2.gz BBQBJXBBCCOODH-UHFFFAOYSA-N -1 3 248.326 3.299 20 0 BGADHM Cc1ccc(C)c(NC([O-])=NOC2CCCC2)c1 ZINC000271641733 385844613 /nfs/dbraw/zinc/84/46/13/385844613.db2.gz BBQBJXBBCCOODH-UHFFFAOYSA-N -1 3 248.326 3.299 20 0 BGADHM C/C(=C\C(=O)[N-]OC1CCCC1)c1ccccc1 ZINC000271731681 397971986 /nfs/dbraw/zinc/97/19/86/397971986.db2.gz HAKOFBVIWUUNKR-VAWYXSNFSA-N -1 3 245.322 3.080 20 0 BGADHM CCc1ccc(NC(=O)[N-]OC2CCCC2)cc1 ZINC000271757590 397973534 /nfs/dbraw/zinc/97/35/34/397973534.db2.gz BWJFGJKGRJCFGN-UHFFFAOYSA-N -1 3 248.326 3.245 20 0 BGADHM CCc1ccc(NC([O-])=NOC2CCCC2)cc1 ZINC000271757590 397973530 /nfs/dbraw/zinc/97/35/30/397973530.db2.gz BWJFGJKGRJCFGN-UHFFFAOYSA-N -1 3 248.326 3.245 20 0 BGADHM Cc1cc(C)cc(NC(=O)[N-]OC2CCCC2)c1 ZINC000271766068 385849380 /nfs/dbraw/zinc/84/93/80/385849380.db2.gz DVVFHNGWAZBXJT-UHFFFAOYSA-N -1 3 248.326 3.299 20 0 BGADHM Cc1cc(C)cc(NC([O-])=NOC2CCCC2)c1 ZINC000271766068 385849378 /nfs/dbraw/zinc/84/93/78/385849378.db2.gz DVVFHNGWAZBXJT-UHFFFAOYSA-N -1 3 248.326 3.299 20 0 BGADHM CCc1ccccc1NC(=O)[N-]OC1CCCC1 ZINC000271779022 397974507 /nfs/dbraw/zinc/97/45/07/397974507.db2.gz HFINVJLSUVPMMW-UHFFFAOYSA-N -1 3 248.326 3.245 20 0 BGADHM CCc1ccccc1NC([O-])=NOC1CCCC1 ZINC000271779022 397974503 /nfs/dbraw/zinc/97/45/03/397974503.db2.gz HFINVJLSUVPMMW-UHFFFAOYSA-N -1 3 248.326 3.245 20 0 BGADHM Cc1cscc1NC(=O)[N-]OC1CCCC1 ZINC000271779465 397974905 /nfs/dbraw/zinc/97/49/05/397974905.db2.gz FSWOTNRWKAVWTO-UHFFFAOYSA-N -1 3 240.328 3.052 20 0 BGADHM Cc1cscc1NC([O-])=NOC1CCCC1 ZINC000271779465 397974902 /nfs/dbraw/zinc/97/49/02/397974902.db2.gz FSWOTNRWKAVWTO-UHFFFAOYSA-N -1 3 240.328 3.052 20 0 BGADHM Cc1ccc(NC(=O)[N-]OC2CCCC2)cc1C ZINC000271788217 397975307 /nfs/dbraw/zinc/97/53/07/397975307.db2.gz JLLGJMIKRDUDPE-UHFFFAOYSA-N -1 3 248.326 3.299 20 0 BGADHM Cc1ccc(NC([O-])=NOC2CCCC2)cc1C ZINC000271788217 397975302 /nfs/dbraw/zinc/97/53/02/397975302.db2.gz JLLGJMIKRDUDPE-UHFFFAOYSA-N -1 3 248.326 3.299 20 0 BGADHM Cc1cccc(NC(=O)[N-]OC2CCCC2)c1C ZINC000271791010 179134946 /nfs/dbraw/zinc/13/49/46/179134946.db2.gz KBBWAIPPUDYPIY-UHFFFAOYSA-N -1 3 248.326 3.299 20 0 BGADHM Cc1cccc(NC([O-])=NOC2CCCC2)c1C ZINC000271791010 179134944 /nfs/dbraw/zinc/13/49/44/179134944.db2.gz KBBWAIPPUDYPIY-UHFFFAOYSA-N -1 3 248.326 3.299 20 0 BGADHM C[C@H](CC(=O)[N-]OC1CCCC1)c1ccccc1 ZINC000271811438 385853263 /nfs/dbraw/zinc/85/32/63/385853263.db2.gz ULKLATWCEQTNCS-GFCCVEGCSA-N -1 3 247.338 3.171 20 0 BGADHM C[C@@H](CC(=O)[N-]OC1CCCC1)c1ccccc1 ZINC000271811439 385853340 /nfs/dbraw/zinc/85/33/40/385853340.db2.gz ULKLATWCEQTNCS-LBPRGKRZSA-N -1 3 247.338 3.171 20 0 BGADHM Cc1ccc(NC(=O)[N-]OC2CCCC2)c(C)c1 ZINC000271812849 385853386 /nfs/dbraw/zinc/85/33/86/385853386.db2.gz ORKLJDUHNZOOGS-UHFFFAOYSA-N -1 3 248.326 3.299 20 0 BGADHM Cc1ccc(NC([O-])=NOC2CCCC2)c(C)c1 ZINC000271812849 385853381 /nfs/dbraw/zinc/85/33/81/385853381.db2.gz ORKLJDUHNZOOGS-UHFFFAOYSA-N -1 3 248.326 3.299 20 0 BGADHM CCc1cccc(NC(=O)[N-]OC2CCCC2)c1 ZINC000271848148 385854900 /nfs/dbraw/zinc/85/49/00/385854900.db2.gz VYILWTMJDCOZQI-UHFFFAOYSA-N -1 3 248.326 3.245 20 0 BGADHM CCc1cccc(NC([O-])=NOC2CCCC2)c1 ZINC000271848148 385854898 /nfs/dbraw/zinc/85/48/98/385854898.db2.gz VYILWTMJDCOZQI-UHFFFAOYSA-N -1 3 248.326 3.245 20 0 BGADHM Cc1cccc(C)c1NC(=O)[N-]OC1CCCC1 ZINC000271857014 179041007 /nfs/dbraw/zinc/04/10/07/179041007.db2.gz XZNUEMCSLVXXIA-UHFFFAOYSA-N -1 3 248.326 3.299 20 0 BGADHM Cc1cccc(C)c1NC([O-])=NOC1CCCC1 ZINC000271857014 179041006 /nfs/dbraw/zinc/04/10/06/179041006.db2.gz XZNUEMCSLVXXIA-UHFFFAOYSA-N -1 3 248.326 3.299 20 0 BGADHM Cc1cccc([O-])c1NC(=O)/C=C1\CC[C@H](C)C1 ZINC000272390281 179161014 /nfs/dbraw/zinc/16/10/14/179161014.db2.gz CRSNYSWDBGNTLV-LZAIMSLLSA-N -1 3 245.322 3.386 20 0 BGADHM Cc1cccc([O-])c1NC(=O)/C=C1\CC[C@@H](C)C1 ZINC000272390282 179161131 /nfs/dbraw/zinc/16/11/31/179161131.db2.gz CRSNYSWDBGNTLV-QSARLWQPSA-N -1 3 245.322 3.386 20 0 BGADHM CCCN(CC(C)C)C(=O)c1ccc([O-])c(C)c1 ZINC000272414205 169105435 /nfs/dbraw/zinc/10/54/35/169105435.db2.gz JGAKFORSBHGDJE-UHFFFAOYSA-N -1 3 249.354 3.209 20 0 BGADHM Cc1cccc([O-])c1NC(=O)CCC(C)(C)C ZINC000272513406 179160804 /nfs/dbraw/zinc/16/08/04/179160804.db2.gz PBMZPXVTGQDJBX-UHFFFAOYSA-N -1 3 235.327 3.465 20 0 BGADHM CC[C@@]1(C)CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000272715146 171199618 /nfs/dbraw/zinc/19/96/18/171199618.db2.gz FTVMPRWWEOHIPT-HNNXBMFYSA-N -1 3 247.338 3.045 20 0 BGADHM CC[C@]1(C)CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000272715151 385926325 /nfs/dbraw/zinc/92/63/25/385926325.db2.gz FTVMPRWWEOHIPT-OAHLLOKOSA-N -1 3 247.338 3.045 20 0 BGADHM CC(C)N(C(=O)c1cccc([O-])c1)C1CCCC1 ZINC000272718646 385926304 /nfs/dbraw/zinc/92/63/04/385926304.db2.gz DUZIXBPRFZIMHB-UHFFFAOYSA-N -1 3 247.338 3.185 20 0 BGADHM CC(C)(C)[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000272723153 188026869 /nfs/dbraw/zinc/02/68/69/188026869.db2.gz FOXQXBKLAYWPSS-CYBMUJFWSA-N -1 3 247.338 3.043 20 0 BGADHM CC(C)(C)[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000272723154 397983957 /nfs/dbraw/zinc/98/39/57/397983957.db2.gz FOXQXBKLAYWPSS-ZDUSSCGKSA-N -1 3 247.338 3.043 20 0 BGADHM CC(C)[C@@H](C)N(C(=O)c1cccc([O-])c1)C1CC1 ZINC000272754899 167362009 /nfs/dbraw/zinc/36/20/09/167362009.db2.gz KHNGMBSYYWTIBA-LLVKDONJSA-N -1 3 247.338 3.041 20 0 BGADHM CC(C)[C@H](C)N(C(=O)c1cccc([O-])c1)C1CC1 ZINC000272754901 188027609 /nfs/dbraw/zinc/02/76/09/188027609.db2.gz KHNGMBSYYWTIBA-NSHDSACASA-N -1 3 247.338 3.041 20 0 BGADHM CCC[C@@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000272795147 385935670 /nfs/dbraw/zinc/93/56/70/385935670.db2.gz XNWOJMHVQGMCOS-GFCCVEGCSA-N -1 3 247.338 3.045 20 0 BGADHM CCC[C@H]1CCCN(C(=O)c2cccc([O-])c2)C1 ZINC000272795149 385934731 /nfs/dbraw/zinc/93/47/31/385934731.db2.gz XNWOJMHVQGMCOS-LBPRGKRZSA-N -1 3 247.338 3.045 20 0 BGADHM CC(C)c1ccc(-c2nc(C3CC3)no2)c([O-])c1 ZINC000273388191 385995606 /nfs/dbraw/zinc/99/56/06/385995606.db2.gz HKPBHVCNFODWJY-UHFFFAOYSA-N -1 3 244.294 3.443 20 0 BGADHM Cc1ccc(-c2nc(CC3CC3)no2)c([O-])c1C ZINC000273400165 178334004 /nfs/dbraw/zinc/33/40/04/178334004.db2.gz KFMWPSNDVBVVEO-UHFFFAOYSA-N -1 3 244.294 3.012 20 0 BGADHM Cc1ccc(-c2nc(C(C)(C)C)no2)c([O-])c1C ZINC000273403346 178333216 /nfs/dbraw/zinc/33/32/16/178333216.db2.gz LDFLJQPDCSDRSS-UHFFFAOYSA-N -1 3 246.310 3.357 20 0 BGADHM CCc1noc(-c2ccc(C(C)C)cc2[O-])n1 ZINC000273506295 172072473 /nfs/dbraw/zinc/07/24/73/172072473.db2.gz ZXFVLFXGLTUNNE-UHFFFAOYSA-N -1 3 232.283 3.128 20 0 BGADHM CCC(CC)c1noc(-c2ccccc2[O-])n1 ZINC000273765095 389043049 /nfs/dbraw/zinc/04/30/49/389043049.db2.gz DMJKSTWOXBAKOV-UHFFFAOYSA-N -1 3 232.283 3.346 20 0 BGADHM Cc1ccc([O-])c(-c2nc([C@H](C)C3CC3)no2)c1 ZINC000273957543 386053684 /nfs/dbraw/zinc/05/36/84/386053684.db2.gz KLIITYZBQPTTIX-SECBINFHSA-N -1 3 244.294 3.264 20 0 BGADHM Cc1ccc([O-])c(-c2nc([C@@H](C)C3CC3)no2)c1 ZINC000273957548 386053658 /nfs/dbraw/zinc/05/36/58/386053658.db2.gz KLIITYZBQPTTIX-VIFPVBQESA-N -1 3 244.294 3.264 20 0 BGADHM Cc1ccc([O-])c(-c2nc(CCC3CC3)no2)c1 ZINC000274084394 389045317 /nfs/dbraw/zinc/04/53/17/389045317.db2.gz ROZLBJVRGOTPDE-UHFFFAOYSA-N -1 3 244.294 3.093 20 0 BGADHM Cc1cccc(-c2nc([C@H](C)C3CC3)no2)c1[O-] ZINC000274120013 386072753 /nfs/dbraw/zinc/07/27/53/386072753.db2.gz WIKDDSVRLPZTAY-SECBINFHSA-N -1 3 244.294 3.264 20 0 BGADHM Cc1cccc(-c2nc([C@@H](C)C3CC3)no2)c1[O-] ZINC000274120015 178996484 /nfs/dbraw/zinc/99/64/84/178996484.db2.gz WIKDDSVRLPZTAY-VIFPVBQESA-N -1 3 244.294 3.264 20 0 BGADHM Cc1cccc(-c2nc(CCC3CC3)no2)c1[O-] ZINC000274176745 389046085 /nfs/dbraw/zinc/04/60/85/389046085.db2.gz ZCJBCHJPFSAMSW-UHFFFAOYSA-N -1 3 244.294 3.093 20 0 BGADHM CCCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274387074 534936042 /nfs/dbraw/zinc/93/60/42/534936042.db2.gz OOAXEIBPMYOQOQ-LLVKDONJSA-N -1 3 247.338 3.423 20 0 BGADHM CCCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274387078 534935976 /nfs/dbraw/zinc/93/59/76/534935976.db2.gz OOAXEIBPMYOQOQ-NSHDSACASA-N -1 3 247.338 3.423 20 0 BGADHM C[C@H]1CCN(C(=O)CC2CC2)c2c([O-])cccc21 ZINC000274400680 132202750 /nfs/dbraw/zinc/20/27/50/132202750.db2.gz SHKCCFYQLYYWRC-JTQLQIEISA-N -1 3 245.322 3.033 20 0 BGADHM C[C@@H]1CCN(C(=O)CC2CC2)c2c([O-])cccc21 ZINC000274400683 132202970 /nfs/dbraw/zinc/20/29/70/132202970.db2.gz SHKCCFYQLYYWRC-SNVBAGLBSA-N -1 3 245.322 3.033 20 0 BGADHM CCCC(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000274424785 132203190 /nfs/dbraw/zinc/20/31/90/132203190.db2.gz ZAFKKWFFERGBKN-JTQLQIEISA-N -1 3 233.311 3.033 20 0 BGADHM CCCC(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000274424787 132203289 /nfs/dbraw/zinc/20/32/89/132203289.db2.gz ZAFKKWFFERGBKN-SNVBAGLBSA-N -1 3 233.311 3.033 20 0 BGADHM CC(C)N(Cc1cc([O-])cc(F)c1)CC(F)F ZINC000274465646 389046411 /nfs/dbraw/zinc/04/64/11/389046411.db2.gz ILVVJZQNBAPSTB-UHFFFAOYSA-N -1 3 247.260 3.007 20 0 BGADHM CC1(C)CCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000274610486 351574229 /nfs/dbraw/zinc/57/42/29/351574229.db2.gz HKJIRJNXHBMPAZ-JTQLQIEISA-N -1 3 233.311 3.157 20 0 BGADHM CC1(C)CCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000274610488 351573842 /nfs/dbraw/zinc/57/38/42/351573842.db2.gz HKJIRJNXHBMPAZ-SNVBAGLBSA-N -1 3 233.311 3.157 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCCC1(C)C ZINC000274755009 179160977 /nfs/dbraw/zinc/16/09/77/179160977.db2.gz FWHRHMAFLPSZFA-LLVKDONJSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCC1(C)C ZINC000274755010 179159750 /nfs/dbraw/zinc/15/97/50/179159750.db2.gz FWHRHMAFLPSZFA-NSHDSACASA-N -1 3 247.338 3.465 20 0 BGADHM CC[C@H](C)c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000275429912 386211334 /nfs/dbraw/zinc/21/13/34/386211334.db2.gz GCFIYFPCWSSXSD-JARNTUPDSA-N -1 3 244.294 3.459 20 0 BGADHM CC[C@@H](C)c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000275429915 386211406 /nfs/dbraw/zinc/21/14/06/386211406.db2.gz GCFIYFPCWSSXSD-QROSGCPLSA-N -1 3 244.294 3.459 20 0 BGADHM CC(C)(C)c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000275612355 386224762 /nfs/dbraw/zinc/22/47/62/386224762.db2.gz GFNSKRICASEKCE-BQYQJAHWSA-N -1 3 244.294 3.243 20 0 BGADHM CC(C)CO[N-]C(=O)Nc1ccsc1Cl ZINC000275651421 386228309 /nfs/dbraw/zinc/22/83/09/386228309.db2.gz MVNQVCDBWMPRCM-UHFFFAOYSA-N -1 3 248.735 3.111 20 0 BGADHM CC(C)CON=C([O-])Nc1ccsc1Cl ZINC000275651421 386228307 /nfs/dbraw/zinc/22/83/07/386228307.db2.gz MVNQVCDBWMPRCM-UHFFFAOYSA-N -1 3 248.735 3.111 20 0 BGADHM [O-]c1ccc(-c2noc(C3=CCCCC3)n2)cc1 ZINC000275686110 183266523 /nfs/dbraw/zinc/26/65/23/183266523.db2.gz OUWOJPOLXXLTSZ-UHFFFAOYSA-N -1 3 242.278 3.400 20 0 BGADHM CC(C)C(C)(C)C(=O)Nc1cc(F)ccc1[O-] ZINC000275779249 386239195 /nfs/dbraw/zinc/23/91/95/386239195.db2.gz AHVQQRHOQZNXDM-UHFFFAOYSA-N -1 3 239.290 3.152 20 0 BGADHM Cc1ccc(NC(=O)C(C)(C)C(C)C)c([O-])c1 ZINC000275789341 386238819 /nfs/dbraw/zinc/23/88/19/386238819.db2.gz KSYXNDFQZSYIMG-UHFFFAOYSA-N -1 3 235.327 3.321 20 0 BGADHM CCc1ccc(C(=O)N(C)[C@H](C)C(C)C)c([O-])c1 ZINC000276064216 386268233 /nfs/dbraw/zinc/26/82/33/386268233.db2.gz LGFKTVMWQSOZOG-LLVKDONJSA-N -1 3 249.354 3.071 20 0 BGADHM CCc1ccc(C(=O)N(C)[C@@H](C)C(C)C)c([O-])c1 ZINC000276064219 386268086 /nfs/dbraw/zinc/26/80/86/386268086.db2.gz LGFKTVMWQSOZOG-NSHDSACASA-N -1 3 249.354 3.071 20 0 BGADHM CCC[C@@H](C)N(C)C(=O)c1ccc(CC)cc1[O-] ZINC000276091481 169363958 /nfs/dbraw/zinc/36/39/58/169363958.db2.gz QMFCIWAGMLAFNW-LLVKDONJSA-N -1 3 249.354 3.215 20 0 BGADHM CCC[C@H](C)N(C)C(=O)c1ccc(CC)cc1[O-] ZINC000276091483 386273167 /nfs/dbraw/zinc/27/31/67/386273167.db2.gz QMFCIWAGMLAFNW-NSHDSACASA-N -1 3 249.354 3.215 20 0 BGADHM CCc1ccc(C(=O)N(C)CC(C)(C)C)c([O-])c1 ZINC000276442106 386325009 /nfs/dbraw/zinc/32/50/09/386325009.db2.gz YIJSRGVLXXYECK-UHFFFAOYSA-N -1 3 249.354 3.073 20 0 BGADHM C/C=C(\CC)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000276576984 187338858 /nfs/dbraw/zinc/33/88/58/187338858.db2.gz SVFWAMVPMMOOFI-FPYGCLRLSA-N -1 3 239.702 3.340 20 0 BGADHM CC(F)(F)CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000277230466 386419538 /nfs/dbraw/zinc/41/95/38/386419538.db2.gz BHTBYLFCSPKORU-UHFFFAOYSA-N -1 3 249.644 3.029 20 0 BGADHM CC(F)(F)CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000277372786 386431511 /nfs/dbraw/zinc/43/15/11/386431511.db2.gz PRVZSGONRWQHLT-UHFFFAOYSA-N -1 3 249.644 3.029 20 0 BGADHM CC(C)N(CC1CCC1)C(=O)c1ccccc1[O-] ZINC000277699799 187339944 /nfs/dbraw/zinc/33/99/44/187339944.db2.gz MOWUKXBIUMIOIT-UHFFFAOYSA-N -1 3 247.338 3.043 20 0 BGADHM CC(C)N(CC1CCC1)C(=O)c1cccc([O-])c1 ZINC000278102590 187341278 /nfs/dbraw/zinc/34/12/78/187341278.db2.gz KKQFWQSGRDQDQP-UHFFFAOYSA-N -1 3 247.338 3.043 20 0 BGADHM C[C@@H]([N-]c1nnc(C(F)F)o1)c1ccccc1 ZINC000278478830 386532941 /nfs/dbraw/zinc/53/29/41/386532941.db2.gz FFZJXWHKNFQFNZ-SSDOTTSWSA-N -1 3 239.225 3.180 20 0 BGADHM C[C@H]([N-]c1nnc(C(F)F)o1)c1ccccc1 ZINC000278478832 386533018 /nfs/dbraw/zinc/53/30/18/386533018.db2.gz FFZJXWHKNFQFNZ-ZETCQYMHSA-N -1 3 239.225 3.180 20 0 BGADHM CCO[N-]C(=O)Nc1ccc(C2CCC2)cc1 ZINC000278964192 386611187 /nfs/dbraw/zinc/61/11/87/386611187.db2.gz PMUAOOJBOPSOCN-UHFFFAOYSA-N -1 3 234.299 3.027 20 0 BGADHM CCCN(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000279565121 538935894 /nfs/dbraw/zinc/93/58/94/538935894.db2.gz PFKAWFVHHMTHJF-UHFFFAOYSA-N -1 3 243.306 3.027 20 0 BGADHM CCN(CC)C(=O)c1cc([O-])c2ccccc2c1 ZINC000280065353 538936491 /nfs/dbraw/zinc/93/64/91/538936491.db2.gz UTLLTQVHOLJWMI-UHFFFAOYSA-N -1 3 243.306 3.027 20 0 BGADHM CC(C)N(C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000280552453 538937631 /nfs/dbraw/zinc/93/76/31/538937631.db2.gz AXAOVDQDGDJTHR-UHFFFAOYSA-N -1 3 243.306 3.026 20 0 BGADHM CC(C)(C)CCC[S@](=O)c1cccc([O-])c1 ZINC000281038041 385630601 /nfs/dbraw/zinc/63/06/01/385630601.db2.gz PCLVSQQWATWYDN-INIZCTEOSA-N -1 3 240.368 3.326 20 0 BGADHM CC(C)(C)CCC[S@@](=O)c1cccc([O-])c1 ZINC000281038044 385629695 /nfs/dbraw/zinc/62/96/95/385629695.db2.gz PCLVSQQWATWYDN-MRXNPFEDSA-N -1 3 240.368 3.326 20 0 BGADHM CCCC[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000282045758 351922081 /nfs/dbraw/zinc/92/20/81/351922081.db2.gz LSDAFYZIHXJKRP-JTQLQIEISA-N -1 3 221.300 3.157 20 0 BGADHM CCCC[C@@H](C)C(=O)Nc1ccccc1[O-] ZINC000282045763 351921952 /nfs/dbraw/zinc/92/19/52/351921952.db2.gz LSDAFYZIHXJKRP-SNVBAGLBSA-N -1 3 221.300 3.157 20 0 BGADHM CCCC[C@@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000282663017 351938953 /nfs/dbraw/zinc/93/89/53/351938953.db2.gz GXBVZJMWWPHXNX-LLVKDONJSA-N -1 3 235.327 3.465 20 0 BGADHM CCCC[C@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000282663019 351939004 /nfs/dbraw/zinc/93/90/04/351939004.db2.gz GXBVZJMWWPHXNX-NSHDSACASA-N -1 3 235.327 3.465 20 0 BGADHM CCO[N-]C(=O)Nc1cc(C)c(Cl)c(C)c1 ZINC000282965481 385799722 /nfs/dbraw/zinc/79/97/22/385799722.db2.gz IVMURPVKUXJGRE-UHFFFAOYSA-N -1 3 242.706 3.030 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C)c([O-])c1 ZINC000284531108 385875674 /nfs/dbraw/zinc/87/56/74/385875674.db2.gz CCOIJRPRLLQLSJ-VXGBXAGGSA-N -1 3 245.322 3.241 20 0 BGADHM Cc1noc(C)c1[N-]C(=O)c1occc1C(C)C ZINC000284647103 385879198 /nfs/dbraw/zinc/87/91/98/385879198.db2.gz LWFJPOHRDXZVJW-UHFFFAOYSA-N -1 3 248.282 3.260 20 0 BGADHM CC(C)(C)CCc1nc2ccc([O-])cc2c(=O)[nH]1 ZINC000285024996 538940570 /nfs/dbraw/zinc/94/05/70/538940570.db2.gz IFASRDVASAZKQE-UHFFFAOYSA-N -1 3 246.310 3.020 20 0 BGADHM CC[C@H](C)CCC(=O)Nc1ccccc1[O-] ZINC000285176420 171268665 /nfs/dbraw/zinc/26/86/65/171268665.db2.gz UJNAJNDQJAMIDJ-JTQLQIEISA-N -1 3 221.300 3.157 20 0 BGADHM CC[C@@H](C)CCC(=O)Nc1ccccc1[O-] ZINC000285176422 385904941 /nfs/dbraw/zinc/90/49/41/385904941.db2.gz UJNAJNDQJAMIDJ-SNVBAGLBSA-N -1 3 221.300 3.157 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC=CC[C@H]1C ZINC000285727632 179160961 /nfs/dbraw/zinc/16/09/61/179160961.db2.gz GFBZFRMYIYGKNE-ZYHUDNBSSA-N -1 3 245.322 3.241 20 0 BGADHM C[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000285761501 176060046 /nfs/dbraw/zinc/06/00/46/176060046.db2.gz MNEPBIUKELNIIK-MWLCHTKSSA-N -1 3 249.285 3.072 20 0 BGADHM CC[C@H](C)CCC(=O)Nc1c(C)cccc1[O-] ZINC000285824235 171268009 /nfs/dbraw/zinc/26/80/09/171268009.db2.gz NUDSOGMEHCUARZ-JTQLQIEISA-N -1 3 235.327 3.465 20 0 BGADHM CC[C@@H](C)CCC(=O)Nc1c(C)cccc1[O-] ZINC000285824238 385969729 /nfs/dbraw/zinc/96/97/29/385969729.db2.gz NUDSOGMEHCUARZ-SNVBAGLBSA-N -1 3 235.327 3.465 20 0 BGADHM CC(C)(c1nc(-c2ccc([O-])cc2)no1)C1CC1 ZINC000287481685 386125816 /nfs/dbraw/zinc/12/58/16/386125816.db2.gz XCOLUSHFOOEPCT-UHFFFAOYSA-N -1 3 244.294 3.130 20 0 BGADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1ccccc1Cl ZINC000288459916 386203327 /nfs/dbraw/zinc/20/33/27/386203327.db2.gz DQEHKDWWHMJKSY-SSDOTTSWSA-N -1 3 247.672 3.172 20 0 BGADHM C[C@H]([N-]C(=O)C(C)(F)F)c1ccccc1Cl ZINC000288459917 386204673 /nfs/dbraw/zinc/20/46/73/386204673.db2.gz DQEHKDWWHMJKSY-ZETCQYMHSA-N -1 3 247.672 3.172 20 0 BGADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1cccc(Cl)c1 ZINC000288637262 386221913 /nfs/dbraw/zinc/22/19/13/386221913.db2.gz UACZIAJDZCEHOV-SSDOTTSWSA-N -1 3 247.672 3.172 20 0 BGADHM CC(C)=CCO[N-]C(=O)CCCc1ccccc1 ZINC000288682966 386227446 /nfs/dbraw/zinc/22/74/46/386227446.db2.gz SRGNJFAARXZVTD-UHFFFAOYSA-N -1 3 247.338 3.023 20 0 BGADHM C[C@@H]([N-]C(=O)C(C)(F)F)c1ccc(Cl)cc1 ZINC000288721190 386228709 /nfs/dbraw/zinc/22/87/09/386228709.db2.gz ZZHAQESSPMQHSX-SSDOTTSWSA-N -1 3 247.672 3.172 20 0 BGADHM C[C@H]([N-]C(=O)C(C)(F)F)c1ccc(Cl)cc1 ZINC000288721191 176786814 /nfs/dbraw/zinc/78/68/14/176786814.db2.gz ZZHAQESSPMQHSX-ZETCQYMHSA-N -1 3 247.672 3.172 20 0 BGADHM CCC(CC)N(CC)C(=O)c1cccc(C)c1[O-] ZINC000288839522 168372788 /nfs/dbraw/zinc/37/27/88/168372788.db2.gz CIBMTIVWWUODAK-UHFFFAOYSA-N -1 3 249.354 3.351 20 0 BGADHM CCC(CC)N(CC)C(=O)c1ccc(C)cc1[O-] ZINC000288878765 168371922 /nfs/dbraw/zinc/37/19/22/168371922.db2.gz GNQJTHAZQJOGTB-UHFFFAOYSA-N -1 3 249.354 3.351 20 0 BGADHM CCC(CC)N(CC)C(=O)c1ccccc1[O-] ZINC000288887123 168372051 /nfs/dbraw/zinc/37/20/51/168372051.db2.gz HDTZTDYHSRLHES-UHFFFAOYSA-N -1 3 235.327 3.043 20 0 BGADHM CCC(CC)N(CC)C(=O)c1cc(C)ccc1[O-] ZINC000289152721 168371125 /nfs/dbraw/zinc/37/11/25/168371125.db2.gz PECMQNDNRCYKCK-UHFFFAOYSA-N -1 3 249.354 3.351 20 0 BGADHM Cc1ccc(NC(=O)C(C)(C)C2CC2)c([O-])c1 ZINC000289158425 386268471 /nfs/dbraw/zinc/26/84/71/386268471.db2.gz WCNDWRZZSWGESF-UHFFFAOYSA-N -1 3 233.311 3.075 20 0 BGADHM CCCC[C@@H](C)N(C)C(=O)c1ccccc1[O-] ZINC000290911646 364770729 /nfs/dbraw/zinc/77/07/29/364770729.db2.gz IWFIFPLJUQTHER-LLVKDONJSA-N -1 3 235.327 3.043 20 0 BGADHM CCCC[C@H](C)N(C)C(=O)c1ccccc1[O-] ZINC000290911647 364770649 /nfs/dbraw/zinc/77/06/49/364770649.db2.gz IWFIFPLJUQTHER-NSHDSACASA-N -1 3 235.327 3.043 20 0 BGADHM CCN(CC(C)(C)C)C(=O)c1cccc(C)c1[O-] ZINC000291113676 385223246 /nfs/dbraw/zinc/22/32/46/385223246.db2.gz CFPUEUMHMKWHQJ-UHFFFAOYSA-N -1 3 249.354 3.209 20 0 BGADHM CCC[C@@H](C)N(C)C(=O)c1ccc([O-])c(CC)c1 ZINC000291380070 169363796 /nfs/dbraw/zinc/36/37/96/169363796.db2.gz BKRNKQAONOHHBQ-LLVKDONJSA-N -1 3 249.354 3.215 20 0 BGADHM CCC[C@H](C)N(C)C(=O)c1ccc([O-])c(CC)c1 ZINC000291380072 386540784 /nfs/dbraw/zinc/54/07/84/386540784.db2.gz BKRNKQAONOHHBQ-NSHDSACASA-N -1 3 249.354 3.215 20 0 BGADHM CCc1cc(C(=O)N(C)[C@H](C)C(C)C)ccc1[O-] ZINC000291441125 171749582 /nfs/dbraw/zinc/74/95/82/171749582.db2.gz IUJWOJSJTNPLKQ-LLVKDONJSA-N -1 3 249.354 3.071 20 0 BGADHM CCc1cc(C(=O)N(C)[C@@H](C)C(C)C)ccc1[O-] ZINC000291441128 386546731 /nfs/dbraw/zinc/54/67/31/386546731.db2.gz IUJWOJSJTNPLKQ-NSHDSACASA-N -1 3 249.354 3.071 20 0 BGADHM CCc1cc(C(=O)N(CC)CC(C)C)ccc1[O-] ZINC000291458424 386547842 /nfs/dbraw/zinc/54/78/42/386547842.db2.gz KKOBSLNZJCEWBV-UHFFFAOYSA-N -1 3 249.354 3.073 20 0 BGADHM CCN(CC(C)(C)C)C(=O)c1ccc(C)cc1[O-] ZINC000291466413 385534115 /nfs/dbraw/zinc/53/41/15/385534115.db2.gz OJBZZXRBLVBKSC-UHFFFAOYSA-N -1 3 249.354 3.209 20 0 BGADHM CCN(CC(C)(C)C)C(=O)c1cc(C)ccc1[O-] ZINC000291504349 169731820 /nfs/dbraw/zinc/73/18/20/169731820.db2.gz VXWPXXPIJJVMIJ-UHFFFAOYSA-N -1 3 249.354 3.209 20 0 BGADHM CCc1cc(C(=O)N(C)CC(C)(C)C)ccc1[O-] ZINC000291586311 398096485 /nfs/dbraw/zinc/09/64/85/398096485.db2.gz VLCJVYLCRUFRRY-UHFFFAOYSA-N -1 3 249.354 3.073 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccccc1C ZINC000291714777 171290562 /nfs/dbraw/zinc/29/05/62/171290562.db2.gz GSISTOCXGJQUMI-JTQLQIEISA-N -1 3 236.315 3.094 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccccc1C ZINC000291714779 386573364 /nfs/dbraw/zinc/57/33/64/386573364.db2.gz GSISTOCXGJQUMI-SNVBAGLBSA-N -1 3 236.315 3.094 20 0 BGADHM CCCC[C@@H](C)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000291772937 350944448 /nfs/dbraw/zinc/94/44/48/350944448.db2.gz TZPWHWYAKZSPMW-GFCCVEGCSA-N -1 3 249.354 3.351 20 0 BGADHM CCCC[C@H](C)N(C)C(=O)c1ccc(C)cc1[O-] ZINC000291772940 350944154 /nfs/dbraw/zinc/94/41/54/350944154.db2.gz TZPWHWYAKZSPMW-LBPRGKRZSA-N -1 3 249.354 3.351 20 0 BGADHM CCCC[C@@H](C)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000291788760 350959646 /nfs/dbraw/zinc/95/96/46/350959646.db2.gz VWGZWEKHRSZBHV-GFCCVEGCSA-N -1 3 249.354 3.351 20 0 BGADHM CCCC[C@H](C)N(C)C(=O)c1cc(C)ccc1[O-] ZINC000291788762 168986878 /nfs/dbraw/zinc/98/68/78/168986878.db2.gz VWGZWEKHRSZBHV-LBPRGKRZSA-N -1 3 249.354 3.351 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)Nc1cccc(C)c1 ZINC000291795101 171289315 /nfs/dbraw/zinc/28/93/15/171289315.db2.gz PETFDNWUMYUMIF-JTQLQIEISA-N -1 3 236.315 3.094 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc(C)c1 ZINC000291795103 386584396 /nfs/dbraw/zinc/58/43/96/386584396.db2.gz PETFDNWUMYUMIF-SNVBAGLBSA-N -1 3 236.315 3.094 20 0 BGADHM CCC[C@](C)(CC)C(=O)[N-]OC/C=C/Cl ZINC000291867350 386593812 /nfs/dbraw/zinc/59/38/12/386593812.db2.gz PGKCMUITWJGSKB-IOCXFXADSA-N -1 3 233.739 3.003 20 0 BGADHM CCC[C@@](C)(CC)C(=O)[N-]OC/C=C/Cl ZINC000291867357 386593909 /nfs/dbraw/zinc/59/39/09/386593909.db2.gz PGKCMUITWJGSKB-LXSSAFMLSA-N -1 3 233.739 3.003 20 0 BGADHM CCc1cc(C(=O)N(C)C[C@H](C)CC)ccc1[O-] ZINC000291875447 386593181 /nfs/dbraw/zinc/59/31/81/386593181.db2.gz HVNYKPVXHIGZKJ-LLVKDONJSA-N -1 3 249.354 3.073 20 0 BGADHM CCc1cc(C(=O)N(C)C[C@@H](C)CC)ccc1[O-] ZINC000291875448 386593889 /nfs/dbraw/zinc/59/38/89/386593889.db2.gz HVNYKPVXHIGZKJ-NSHDSACASA-N -1 3 249.354 3.073 20 0 BGADHM CCC1(C(=O)[N-]OC/C=C/Cl)CCCCC1 ZINC000291878953 386593729 /nfs/dbraw/zinc/59/37/29/386593729.db2.gz QELUDXGWZRDUOE-RMKNXTFCSA-N -1 3 245.750 3.147 20 0 BGADHM CC(C)(C)CCCC(=O)[N-]OC/C=C/Cl ZINC000291886419 386596155 /nfs/dbraw/zinc/59/61/55/386596155.db2.gz QVMYXPJTDCDAMT-VMPITWQZSA-N -1 3 233.739 3.003 20 0 BGADHM CC(C)(C(=O)[N-]OC/C=C/Cl)C1CCCC1 ZINC000291921032 386598810 /nfs/dbraw/zinc/59/88/10/386598810.db2.gz UIYABYNYGIXOGA-VMPITWQZSA-N -1 3 245.750 3.003 20 0 BGADHM CC1(C)CCCC[C@@H]1C(=O)[N-]OC/C=C/Cl ZINC000291928768 386602729 /nfs/dbraw/zinc/60/27/29/386602729.db2.gz UZCSCKANVKJQJE-VHODGJRUSA-N -1 3 245.750 3.003 20 0 BGADHM CC1(C)CCCC[C@H]1C(=O)[N-]OC/C=C/Cl ZINC000291928772 386601505 /nfs/dbraw/zinc/60/15/05/386601505.db2.gz UZCSCKANVKJQJE-YVFTVSHDSA-N -1 3 245.750 3.003 20 0 BGADHM CCc1cc(C(=O)N(C)C(C)(C)CC)ccc1[O-] ZINC000291944871 386602074 /nfs/dbraw/zinc/60/20/74/386602074.db2.gz NQXYCSXAXXWHRK-UHFFFAOYSA-N -1 3 249.354 3.215 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(C)cc1 ZINC000291951497 171289467 /nfs/dbraw/zinc/28/94/67/171289467.db2.gz VKWDATZGXYNBQF-JTQLQIEISA-N -1 3 236.315 3.094 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(C)cc1 ZINC000291951499 386603104 /nfs/dbraw/zinc/60/31/04/386603104.db2.gz VKWDATZGXYNBQF-SNVBAGLBSA-N -1 3 236.315 3.094 20 0 BGADHM CCCC[C@@H](C)N(C)C(=O)c1cccc([O-])c1 ZINC000291976917 353137221 /nfs/dbraw/zinc/13/72/21/353137221.db2.gz IXMGYJWKEDSELF-LLVKDONJSA-N -1 3 235.327 3.043 20 0 BGADHM CCCC[C@H](C)N(C)C(=O)c1cccc([O-])c1 ZINC000291976919 353137274 /nfs/dbraw/zinc/13/72/74/353137274.db2.gz IXMGYJWKEDSELF-NSHDSACASA-N -1 3 235.327 3.043 20 0 BGADHM CCO[N-]C(=O)Nc1cccc(C2CCC2)c1 ZINC000291982692 386606233 /nfs/dbraw/zinc/60/62/33/386606233.db2.gz FSCMXCXZVXTXCM-UHFFFAOYSA-N -1 3 234.299 3.027 20 0 BGADHM CCc1cc(C(=O)NC2(CC)CCC2)ccc1[O-] ZINC000292028224 386611959 /nfs/dbraw/zinc/61/19/59/386611959.db2.gz WIYOWMWOZDAHIH-UHFFFAOYSA-N -1 3 247.338 3.017 20 0 BGADHM CCCC[C@@H](C)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000292066185 359320064 /nfs/dbraw/zinc/32/00/64/359320064.db2.gz VCRTYULSHPVCST-GFCCVEGCSA-N -1 3 249.354 3.351 20 0 BGADHM CCCC[C@H](C)N(C)C(=O)c1ccc([O-])c(C)c1 ZINC000292066187 359320022 /nfs/dbraw/zinc/32/00/22/359320022.db2.gz VCRTYULSHPVCST-LBPRGKRZSA-N -1 3 249.354 3.351 20 0 BGADHM CCC(CC)N(CC)C(=O)c1cccc([O-])c1 ZINC000292198002 168372043 /nfs/dbraw/zinc/37/20/43/168372043.db2.gz PKROEIQJHJRFSE-UHFFFAOYSA-N -1 3 235.327 3.043 20 0 BGADHM CC(C)CC1(C(=O)[N-]OC/C=C/Cl)CCC1 ZINC000292233056 386638488 /nfs/dbraw/zinc/63/84/88/386638488.db2.gz RUWTXKCPUCHLQR-QPJJXVBHSA-N -1 3 245.750 3.003 20 0 BGADHM CCC(CC)N(CC)C(=O)c1ccc([O-])c(C)c1 ZINC000292263107 168371354 /nfs/dbraw/zinc/37/13/54/168371354.db2.gz SVOYVXSGSZLNBB-UHFFFAOYSA-N -1 3 249.354 3.351 20 0 BGADHM CC(C)c1cccc(NC(=O)[N-]OCC2CC2)c1 ZINC000292522733 386681821 /nfs/dbraw/zinc/68/18/21/386681821.db2.gz CRPABLAKCKNRDK-UHFFFAOYSA-N -1 3 248.326 3.273 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)Nc1cscc1C ZINC000292662704 386708270 /nfs/dbraw/zinc/70/82/70/386708270.db2.gz KZQOIAONXBHPSZ-MRVPVSSYSA-N -1 3 242.344 3.156 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)Nc1cscc1C ZINC000292662708 171289871 /nfs/dbraw/zinc/28/98/71/171289871.db2.gz KZQOIAONXBHPSZ-QMMMGPOBSA-N -1 3 242.344 3.156 20 0 BGADHM CC(C)c1ccc(NC(=O)[N-]OCC2CC2)cc1 ZINC000292798345 386727693 /nfs/dbraw/zinc/72/76/93/386727693.db2.gz NENYFHDJJPYMCZ-UHFFFAOYSA-N -1 3 248.326 3.273 20 0 BGADHM CC(C)c1ccccc1NC(=O)[N-]OCC1CC1 ZINC000292857233 188391076 /nfs/dbraw/zinc/39/10/76/188391076.db2.gz ZSMWTAAVZMEQEV-UHFFFAOYSA-N -1 3 248.326 3.273 20 0 BGADHM Cc1ccoc1CN(C)Cc1cc([O-])cc(F)c1 ZINC000292882673 386742750 /nfs/dbraw/zinc/74/27/50/386742750.db2.gz XXFWDNVJQLGTNB-UHFFFAOYSA-N -1 3 249.285 3.065 20 0 BGADHM Cc1cc(C)c(NC(=O)[N-]OCC2CC2)c(C)c1 ZINC000292905624 386745160 /nfs/dbraw/zinc/74/51/60/386745160.db2.gz WLWASMVIMWJZPW-UHFFFAOYSA-N -1 3 248.326 3.075 20 0 BGADHM CCc1cccc(C)c1NC(=O)[N-]OCC1CC1 ZINC000292905776 386746089 /nfs/dbraw/zinc/74/60/89/386746089.db2.gz WMZHFXGESQBDDP-UHFFFAOYSA-N -1 3 248.326 3.021 20 0 BGADHM CC1(C)CC[C@H]1NCc1cccc([O-])c1Cl ZINC000292918140 188268431 /nfs/dbraw/zinc/26/84/31/188268431.db2.gz HXWPUISIHIPESE-LLVKDONJSA-N -1 3 239.746 3.324 20 0 BGADHM CC1(C)CC[C@@H]1NCc1cccc([O-])c1Cl ZINC000292918145 364774361 /nfs/dbraw/zinc/77/43/61/364774361.db2.gz HXWPUISIHIPESE-NSHDSACASA-N -1 3 239.746 3.324 20 0 BGADHM CC(C)C1(NCc2cccc([O-])c2Cl)CC1 ZINC000292980893 387344443 /nfs/dbraw/zinc/34/44/43/387344443.db2.gz LFCZRJXECFPWOK-UHFFFAOYSA-N -1 3 239.746 3.324 20 0 BGADHM [O-]c1ccccc1-c1nc(CC2CCCC2)no1 ZINC000293244941 183299584 /nfs/dbraw/zinc/29/95/84/183299584.db2.gz SLEYLNJVNJZTRL-UHFFFAOYSA-N -1 3 244.294 3.175 20 0 BGADHM CC1(NCc2cccc([O-])c2Cl)CCC1 ZINC000293291661 168064218 /nfs/dbraw/zinc/06/42/18/168064218.db2.gz OUBQOCPCMNNFKI-UHFFFAOYSA-N -1 3 225.719 3.078 20 0 BGADHM CC(C)=CCNCc1cccc([O-])c1Cl ZINC000293353853 187241464 /nfs/dbraw/zinc/24/14/64/187241464.db2.gz UASXULJIDXFVRX-UHFFFAOYSA-N -1 3 225.719 3.101 20 0 BGADHM CC(C)(C)CNCc1cccc([O-])c1Cl ZINC000293434896 387588347 /nfs/dbraw/zinc/58/83/47/387588347.db2.gz BLYFSRURKHFYNR-UHFFFAOYSA-N -1 3 227.735 3.181 20 0 BGADHM CCC1(NCc2cccc([O-])c2Cl)CCC1 ZINC000293485491 388388899 /nfs/dbraw/zinc/38/88/99/388388899.db2.gz GEGSLTCUGMCPET-UHFFFAOYSA-N -1 3 239.746 3.468 20 0 BGADHM [O-]c1cccc(CN[C@@H]2CC=CCC2)c1Cl ZINC000293535093 183291732 /nfs/dbraw/zinc/29/17/32/183291732.db2.gz JTESKPMLJPLDPI-LLVKDONJSA-N -1 3 237.730 3.244 20 0 BGADHM [O-]c1cccc(CN[C@H]2CC=CCC2)c1Cl ZINC000293535094 183291805 /nfs/dbraw/zinc/29/18/05/183291805.db2.gz JTESKPMLJPLDPI-NSHDSACASA-N -1 3 237.730 3.244 20 0 BGADHM C[C@H](CCC(=O)[N-]OCC1CC1)c1ccccc1 ZINC000293696668 187349898 /nfs/dbraw/zinc/34/98/98/187349898.db2.gz CWWWYFHMDBHLDV-GFCCVEGCSA-N -1 3 247.338 3.028 20 0 BGADHM C[C@@H](CCC(=O)[N-]OCC1CC1)c1ccccc1 ZINC000293696669 386864592 /nfs/dbraw/zinc/86/45/92/386864592.db2.gz CWWWYFHMDBHLDV-LBPRGKRZSA-N -1 3 247.338 3.028 20 0 BGADHM CCC(C)(C)NCc1cccc([O-])c1Cl ZINC000293720883 168299584 /nfs/dbraw/zinc/29/95/84/168299584.db2.gz YLVQQUIZZLGYHJ-UHFFFAOYSA-N -1 3 227.735 3.324 20 0 BGADHM CC(C)(CC(=O)Nc1ccccc1[O-])C1CC1 ZINC000293796180 386881608 /nfs/dbraw/zinc/88/16/08/386881608.db2.gz MZKRHZFEUGIVJN-UHFFFAOYSA-N -1 3 233.311 3.157 20 0 BGADHM CC[C@H](CC(=O)[N-]OCC1CC1)c1ccccc1 ZINC000293807664 386881122 /nfs/dbraw/zinc/88/11/22/386881122.db2.gz QESJHBIWSORVEB-CYBMUJFWSA-N -1 3 247.338 3.028 20 0 BGADHM CC[C@@H](CC(=O)[N-]OCC1CC1)c1ccccc1 ZINC000293807668 386882848 /nfs/dbraw/zinc/88/28/48/386882848.db2.gz QESJHBIWSORVEB-ZDUSSCGKSA-N -1 3 247.338 3.028 20 0 BGADHM [O-]c1cccc(CNC2CCCC2)c1Cl ZINC000293958772 183289914 /nfs/dbraw/zinc/28/99/14/183289914.db2.gz CGIBAJBBIZSWFD-UHFFFAOYSA-N -1 3 225.719 3.078 20 0 BGADHM CC[C@H]1CCN1Cc1cccc([O-])c1Cl ZINC000293975622 385778138 /nfs/dbraw/zinc/77/81/38/385778138.db2.gz QZDKTHKYGJRLBG-JTQLQIEISA-N -1 3 225.719 3.030 20 0 BGADHM CC[C@@H]1CCN1Cc1cccc([O-])c1Cl ZINC000293975626 171024611 /nfs/dbraw/zinc/02/46/11/171024611.db2.gz QZDKTHKYGJRLBG-SNVBAGLBSA-N -1 3 225.719 3.030 20 0 BGADHM CC[C@@H]1CCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000294011270 171020880 /nfs/dbraw/zinc/02/08/80/171020880.db2.gz MSYROWPQRVICTK-GFCCVEGCSA-N -1 3 247.338 3.140 20 0 BGADHM CC[C@H]1CCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000294011272 385786106 /nfs/dbraw/zinc/78/61/06/385786106.db2.gz MSYROWPQRVICTK-LBPRGKRZSA-N -1 3 247.338 3.140 20 0 BGADHM [O-]c1ccc(F)c(CNC2CCCCC2)c1F ZINC000294138321 183274102 /nfs/dbraw/zinc/27/41/02/183274102.db2.gz HHJQMUOELSOILL-UHFFFAOYSA-N -1 3 241.281 3.093 20 0 BGADHM CCC(CC)NCc1cccc([O-])c1Cl ZINC000294149326 168390079 /nfs/dbraw/zinc/39/00/79/168390079.db2.gz OTQBSODUOWFQAP-UHFFFAOYSA-N -1 3 227.735 3.324 20 0 BGADHM Cc1ccc(NC(=O)[N-]OC(C)C)cc1Cl ZINC000294230167 384683859 /nfs/dbraw/zinc/68/38/59/384683859.db2.gz VIYWXNBVBBAWLA-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM Cc1ccc(NC([O-])=NOC(C)C)cc1Cl ZINC000294230167 384683852 /nfs/dbraw/zinc/68/38/52/384683852.db2.gz VIYWXNBVBBAWLA-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM CC(F)(F)CCNCc1cccc([O-])c1Cl ZINC000294238050 388390312 /nfs/dbraw/zinc/39/03/12/388390312.db2.gz OXCPOBWBGHJESE-UHFFFAOYSA-N -1 3 249.688 3.181 20 0 BGADHM CN(CCC1CC1)Cc1cccc([O-])c1Cl ZINC000294290704 385833143 /nfs/dbraw/zinc/83/31/43/385833143.db2.gz PIXFBZUUCIOYEN-UHFFFAOYSA-N -1 3 239.746 3.278 20 0 BGADHM CC[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000294345726 352375674 /nfs/dbraw/zinc/37/56/74/352375674.db2.gz AVRBRRPBZOTMOF-GHMZBOCLSA-N -1 3 233.311 3.157 20 0 BGADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000294345727 352375869 /nfs/dbraw/zinc/37/58/69/352375869.db2.gz AVRBRRPBZOTMOF-MNOVXSKESA-N -1 3 233.311 3.157 20 0 BGADHM CC[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000294345730 385838692 /nfs/dbraw/zinc/83/86/92/385838692.db2.gz AVRBRRPBZOTMOF-QWRGUYRKSA-N -1 3 233.311 3.157 20 0 BGADHM CC[C@H]1CCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000294345733 385839898 /nfs/dbraw/zinc/83/98/98/385839898.db2.gz AVRBRRPBZOTMOF-WDEREUQCSA-N -1 3 233.311 3.157 20 0 BGADHM CC(C)CCCC(=O)Nc1ccccc1[O-] ZINC000294560401 385867173 /nfs/dbraw/zinc/86/71/73/385867173.db2.gz OIHFFNAVWXTVLV-UHFFFAOYSA-N -1 3 221.300 3.157 20 0 BGADHM CC1=CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000294658162 168099084 /nfs/dbraw/zinc/09/90/84/168099084.db2.gz LJDPAKZMYZNNHR-UHFFFAOYSA-N -1 3 237.730 3.198 20 0 BGADHM CCC1(NCc2cccc([O-])c2Cl)CC1 ZINC000294724163 388403230 /nfs/dbraw/zinc/40/32/30/388403230.db2.gz FTPGRWXETYEPEM-UHFFFAOYSA-N -1 3 225.719 3.078 20 0 BGADHM CN(Cc1c(F)ccc([O-])c1F)C1CCCC1 ZINC000294792060 385896397 /nfs/dbraw/zinc/89/63/97/385896397.db2.gz CNXRJPAYCQVYCO-UHFFFAOYSA-N -1 3 241.281 3.045 20 0 BGADHM CN(Cc1cccc([O-])c1Cl)C1CCCC1 ZINC000294864617 385275879 /nfs/dbraw/zinc/27/58/79/385275879.db2.gz JRTQZTLVNCMBAR-UHFFFAOYSA-N -1 3 239.746 3.420 20 0 BGADHM CC(C)CN(C)Cc1cccc([O-])c1Cl ZINC000294889126 353798016 /nfs/dbraw/zinc/79/80/16/353798016.db2.gz LNYGRSUHLZQWTM-UHFFFAOYSA-N -1 3 227.735 3.133 20 0 BGADHM CCN(Cc1cccc([O-])c1Cl)C(C)C ZINC000294925998 346321576 /nfs/dbraw/zinc/32/15/76/346321576.db2.gz OJLOONOEHONGLX-UHFFFAOYSA-N -1 3 227.735 3.276 20 0 BGADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1c(C)cccc1[O-] ZINC000294934384 352388509 /nfs/dbraw/zinc/38/85/09/352388509.db2.gz KWXHIFCEGZLSEO-NEPJUHHUSA-N -1 3 247.338 3.465 20 0 BGADHM CC[C@H]1CCC[C@H]1C(=O)Nc1c(C)cccc1[O-] ZINC000294934387 385918438 /nfs/dbraw/zinc/91/84/38/385918438.db2.gz KWXHIFCEGZLSEO-NWDGAFQWSA-N -1 3 247.338 3.465 20 0 BGADHM CC[C@H]1CCC[C@@H]1C(=O)Nc1c(C)cccc1[O-] ZINC000294934391 385918697 /nfs/dbraw/zinc/91/86/97/385918697.db2.gz KWXHIFCEGZLSEO-RYUDHWBXSA-N -1 3 247.338 3.465 20 0 BGADHM CC[C@@H]1CCC[C@H]1C(=O)Nc1c(C)cccc1[O-] ZINC000294934395 352389339 /nfs/dbraw/zinc/38/93/39/352389339.db2.gz KWXHIFCEGZLSEO-VXGBXAGGSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)CCCC(C)C ZINC000294938127 179161128 /nfs/dbraw/zinc/16/11/28/179161128.db2.gz LHMFFQBTWOQRTF-UHFFFAOYSA-N -1 3 235.327 3.465 20 0 BGADHM CC/C=C/CNCc1cccc([O-])c1Cl ZINC000295003820 388406585 /nfs/dbraw/zinc/40/65/85/388406585.db2.gz LOYQTEYDSFYRSN-ONEGZZNKSA-N -1 3 225.719 3.101 20 0 BGADHM CC1=CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000295287503 168115905 /nfs/dbraw/zinc/11/59/05/168115905.db2.gz IYOBDYOYBDMYTA-UHFFFAOYSA-N -1 3 237.730 3.198 20 0 BGADHM CC(C)N(Cc1cccc([O-])c1Cl)C1CC1 ZINC000295299859 188039273 /nfs/dbraw/zinc/03/92/73/188039273.db2.gz JUEYCMPWBGLHPB-UHFFFAOYSA-N -1 3 239.746 3.418 20 0 BGADHM CCCN(Cc1c(F)ccc([O-])c1F)C1CC1 ZINC000295310678 169173476 /nfs/dbraw/zinc/17/34/76/169173476.db2.gz KNZRSLBMLKSUJF-UHFFFAOYSA-N -1 3 241.281 3.045 20 0 BGADHM C[C@H](C1CC1)N(C)Cc1cccc([O-])c1Cl ZINC000295314409 386012428 /nfs/dbraw/zinc/01/24/28/386012428.db2.gz KVZPCVOMJWVYPD-SECBINFHSA-N -1 3 239.746 3.276 20 0 BGADHM C[C@@H](C1CC1)N(C)Cc1cccc([O-])c1Cl ZINC000295314412 386012586 /nfs/dbraw/zinc/01/25/86/386012586.db2.gz KVZPCVOMJWVYPD-VIFPVBQESA-N -1 3 239.746 3.276 20 0 BGADHM CN(Cc1cccc([O-])c1Cl)C1CCC1 ZINC000295348891 386018423 /nfs/dbraw/zinc/01/84/23/386018423.db2.gz NEAJZSHYFCHYPG-UHFFFAOYSA-N -1 3 225.719 3.030 20 0 BGADHM CCN(Cc1cccc([O-])c1Cl)C1CC1 ZINC000295399748 352410650 /nfs/dbraw/zinc/41/06/50/352410650.db2.gz QPAOEAOCVXQEJE-UHFFFAOYSA-N -1 3 225.719 3.030 20 0 BGADHM CCN(Cc1cccc([O-])c1Cl)CC1CC1 ZINC000295429484 352412707 /nfs/dbraw/zinc/41/27/07/352412707.db2.gz SWKHCMGZYOZNHR-UHFFFAOYSA-N -1 3 239.746 3.278 20 0 BGADHM C[C@@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000295494976 176109924 /nfs/dbraw/zinc/10/99/24/176109924.db2.gz XWVXUVDPDRPDPQ-SECBINFHSA-N -1 3 225.719 3.030 20 0 BGADHM C[C@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000295494980 177110115 /nfs/dbraw/zinc/11/01/15/177110115.db2.gz XWVXUVDPDRPDPQ-VIFPVBQESA-N -1 3 225.719 3.030 20 0 BGADHM CC(C)O[N-]C(=O)CC1CC(c2ccccc2)C1 ZINC000295508852 167273866 /nfs/dbraw/zinc/27/38/66/167273866.db2.gz HHHLLVGPSSWOOI-UHFFFAOYSA-N -1 3 247.338 3.027 20 0 BGADHM CC[C@H](CC(=O)[N-]OC(C)C)c1ccccc1 ZINC000295545108 386049744 /nfs/dbraw/zinc/04/97/44/386049744.db2.gz LDXYYHVQZPBQMD-GFCCVEGCSA-N -1 3 235.327 3.027 20 0 BGADHM CC[C@@H](CC(=O)[N-]OC(C)C)c1ccccc1 ZINC000295545109 386048701 /nfs/dbraw/zinc/04/87/01/386048701.db2.gz LDXYYHVQZPBQMD-LBPRGKRZSA-N -1 3 235.327 3.027 20 0 BGADHM CC(C)O[N-]C(=O)C[C@H](c1ccccc1)C(C)C ZINC000295752456 167276904 /nfs/dbraw/zinc/27/69/04/167276904.db2.gz UZLNLZPWXYPZJQ-AWEZNQCLSA-N -1 3 249.354 3.273 20 0 BGADHM CC(C)O[N-]C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000295752457 167276057 /nfs/dbraw/zinc/27/60/57/167276057.db2.gz UZLNLZPWXYPZJQ-CQSZACIVSA-N -1 3 249.354 3.273 20 0 BGADHM CCc1cccc(C)c1NC(=O)[N-]OC(C)C ZINC000296036990 386127797 /nfs/dbraw/zinc/12/77/97/386127797.db2.gz ACJSGJCTIKQOHG-UHFFFAOYSA-N -1 3 236.315 3.019 20 0 BGADHM CCc1cccc(C)c1NC([O-])=NOC(C)C ZINC000296036990 386127791 /nfs/dbraw/zinc/12/77/91/386127791.db2.gz ACJSGJCTIKQOHG-UHFFFAOYSA-N -1 3 236.315 3.019 20 0 BGADHM Cc1c(Cl)cccc1NC(=O)[N-]OC(C)C ZINC000296066885 386132290 /nfs/dbraw/zinc/13/22/90/386132290.db2.gz CLKNTFBPARNSOW-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM Cc1c(Cl)cccc1NC([O-])=NOC(C)C ZINC000296066885 386132282 /nfs/dbraw/zinc/13/22/82/386132282.db2.gz CLKNTFBPARNSOW-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM Cc1cc(C)c(NC(=O)[N-]OC(C)C)c(C)c1 ZINC000296138189 188394335 /nfs/dbraw/zinc/39/43/35/188394335.db2.gz IRYYUEZURQPRQT-UHFFFAOYSA-N -1 3 236.315 3.073 20 0 BGADHM Cc1cc(C)c(NC([O-])=NOC(C)C)c(C)c1 ZINC000296138189 188394333 /nfs/dbraw/zinc/39/43/33/188394333.db2.gz IRYYUEZURQPRQT-UHFFFAOYSA-N -1 3 236.315 3.073 20 0 BGADHM CC(C)O[N-]C(=O)Nc1ccccc1C(C)C ZINC000296190226 167276263 /nfs/dbraw/zinc/27/62/63/167276263.db2.gz MQZFXTLMKIVQFL-UHFFFAOYSA-N -1 3 236.315 3.272 20 0 BGADHM CC(C)ON=C([O-])Nc1ccccc1C(C)C ZINC000296190226 167276262 /nfs/dbraw/zinc/27/62/62/167276262.db2.gz MQZFXTLMKIVQFL-UHFFFAOYSA-N -1 3 236.315 3.272 20 0 BGADHM Cc1cc(Cl)ccc1NC(=O)[N-]OC(C)C ZINC000296199830 386147860 /nfs/dbraw/zinc/14/78/60/386147860.db2.gz NGXDLIGFNCZLRX-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM Cc1cc(Cl)ccc1NC([O-])=NOC(C)C ZINC000296199830 386147857 /nfs/dbraw/zinc/14/78/57/386147857.db2.gz NGXDLIGFNCZLRX-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM CC(C)O[N-]C(=O)Nc1cccc(C(C)C)c1 ZINC000296271633 167276676 /nfs/dbraw/zinc/27/66/76/167276676.db2.gz MILSKYDIEJZLIN-UHFFFAOYSA-N -1 3 236.315 3.272 20 0 BGADHM CC(C)ON=C([O-])Nc1cccc(C(C)C)c1 ZINC000296271633 167276673 /nfs/dbraw/zinc/27/66/73/167276673.db2.gz MILSKYDIEJZLIN-UHFFFAOYSA-N -1 3 236.315 3.272 20 0 BGADHM CC(C)O[N-]C(=O)Nc1cccc(C(F)F)c1 ZINC000296287597 167276286 /nfs/dbraw/zinc/27/62/86/167276286.db2.gz DITUXBYDBGNNPL-UHFFFAOYSA-N -1 3 244.241 3.086 20 0 BGADHM CC(C)ON=C([O-])Nc1cccc(C(F)F)c1 ZINC000296287597 167276285 /nfs/dbraw/zinc/27/62/85/167276285.db2.gz DITUXBYDBGNNPL-UHFFFAOYSA-N -1 3 244.241 3.086 20 0 BGADHM CC(C)O[N-]C(=O)Nc1ccc(C(C)C)cc1 ZINC000296357827 167276689 /nfs/dbraw/zinc/27/66/89/167276689.db2.gz QIXCKTBQXFHGHI-UHFFFAOYSA-N -1 3 236.315 3.272 20 0 BGADHM CC(C)ON=C([O-])Nc1ccc(C(C)C)cc1 ZINC000296357827 167276687 /nfs/dbraw/zinc/27/66/87/167276687.db2.gz QIXCKTBQXFHGHI-UHFFFAOYSA-N -1 3 236.315 3.272 20 0 BGADHM CCCc1ccccc1NC(=O)[N-]OC(C)C ZINC000296423411 398138360 /nfs/dbraw/zinc/13/83/60/398138360.db2.gz SGABATKQNBLSEY-UHFFFAOYSA-N -1 3 236.315 3.101 20 0 BGADHM CCCc1ccccc1NC([O-])=NOC(C)C ZINC000296423411 398138358 /nfs/dbraw/zinc/13/83/58/398138358.db2.gz SGABATKQNBLSEY-UHFFFAOYSA-N -1 3 236.315 3.101 20 0 BGADHM Cc1ccc(NC(=O)[N-]OC(C)C)c(Cl)c1 ZINC000296444493 386175002 /nfs/dbraw/zinc/17/50/02/386175002.db2.gz XVCMBFIALXEFQW-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM Cc1ccc(NC([O-])=NOC(C)C)c(Cl)c1 ZINC000296444493 386174997 /nfs/dbraw/zinc/17/49/97/386174997.db2.gz XVCMBFIALXEFQW-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM Cc1ccc(Cl)c(NC(=O)[N-]OC(C)C)c1 ZINC000296649486 386190198 /nfs/dbraw/zinc/19/01/98/386190198.db2.gz OZOIWVRSGZVQGQ-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM Cc1ccc(Cl)c(NC([O-])=NOC(C)C)c1 ZINC000296649486 386190189 /nfs/dbraw/zinc/19/01/89/386190189.db2.gz OZOIWVRSGZVQGQ-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM Cc1coc2ccc(NC(=O)[N-]OC(C)C)cc12 ZINC000296738712 386197529 /nfs/dbraw/zinc/19/75/29/386197529.db2.gz KICDFJYIQUBDJB-UHFFFAOYSA-N -1 3 248.282 3.203 20 0 BGADHM Cc1coc2ccc(NC([O-])=NOC(C)C)cc12 ZINC000296738712 386197526 /nfs/dbraw/zinc/19/75/26/386197526.db2.gz KICDFJYIQUBDJB-UHFFFAOYSA-N -1 3 248.282 3.203 20 0 BGADHM CC(C)=CCC[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000296859735 188395426 /nfs/dbraw/zinc/39/54/26/188395426.db2.gz JCIGZEVMTZWAMI-GFCCVEGCSA-N -1 3 247.338 3.257 20 0 BGADHM CC(C)=CCC[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000296859739 398141502 /nfs/dbraw/zinc/14/15/02/398141502.db2.gz JCIGZEVMTZWAMI-LBPRGKRZSA-N -1 3 247.338 3.257 20 0 BGADHM Cc1cccc(Cl)c1NC(=O)[N-]OC(C)C ZINC000296912578 179107916 /nfs/dbraw/zinc/10/79/16/179107916.db2.gz PAKAQCUJOOUOPA-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM Cc1cccc(Cl)c1NC([O-])=NOC(C)C ZINC000296912578 179107913 /nfs/dbraw/zinc/10/79/13/179107913.db2.gz PAKAQCUJOOUOPA-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM Cc1cccc(NC(=O)[N-]OC(C)C)c1Cl ZINC000297086116 179134934 /nfs/dbraw/zinc/13/49/34/179134934.db2.gz XEHSJRNLGTWDCX-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM Cc1cccc(NC([O-])=NOC(C)C)c1Cl ZINC000297086116 179134931 /nfs/dbraw/zinc/13/49/31/179134931.db2.gz XEHSJRNLGTWDCX-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM CC(C)O[N-]C(=O)Nc1ccc2c(c1)CCCC2 ZINC000297427296 167275766 /nfs/dbraw/zinc/27/57/66/167275766.db2.gz OOWZFMAOUJSHAA-UHFFFAOYSA-N -1 3 248.326 3.027 20 0 BGADHM CC(C)ON=C([O-])Nc1ccc2c(c1)CCCC2 ZINC000297427296 167275763 /nfs/dbraw/zinc/27/57/63/167275763.db2.gz OOWZFMAOUJSHAA-UHFFFAOYSA-N -1 3 248.326 3.027 20 0 BGADHM CC(C)O[N-]C(=O)Nc1cccc2c1CCCC2 ZINC000297442845 167277399 /nfs/dbraw/zinc/27/73/99/167277399.db2.gz LOMREZVYAPOYII-UHFFFAOYSA-N -1 3 248.326 3.027 20 0 BGADHM CC(C)ON=C([O-])Nc1cccc2c1CCCC2 ZINC000297442845 167277396 /nfs/dbraw/zinc/27/73/96/167277396.db2.gz LOMREZVYAPOYII-UHFFFAOYSA-N -1 3 248.326 3.027 20 0 BGADHM CCO[N-]C(=O)Nc1cc(C)c(C)cc1Cl ZINC000297465707 386259545 /nfs/dbraw/zinc/25/95/45/386259545.db2.gz RLWLBNZCDJFLLC-UHFFFAOYSA-N -1 3 242.706 3.030 20 0 BGADHM CC(C)O[N-]C(=O)Nc1cccc(C2CCC2)c1 ZINC000297555295 167275960 /nfs/dbraw/zinc/27/59/60/167275960.db2.gz ZONVRGCBRCHZBD-UHFFFAOYSA-N -1 3 248.326 3.416 20 0 BGADHM CC(C)ON=C([O-])Nc1cccc(C2CCC2)c1 ZINC000297555295 167275956 /nfs/dbraw/zinc/27/59/56/167275956.db2.gz ZONVRGCBRCHZBD-UHFFFAOYSA-N -1 3 248.326 3.416 20 0 BGADHM Cc1ccc(Cl)cc1NC(=O)[N-]OC(C)C ZINC000297600193 188394651 /nfs/dbraw/zinc/39/46/51/188394651.db2.gz ZETMXDPSBGDXND-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM Cc1ccc(Cl)cc1NC([O-])=NOC(C)C ZINC000297600193 188394650 /nfs/dbraw/zinc/39/46/50/188394650.db2.gz ZETMXDPSBGDXND-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM CC(C)[C@@H](C)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000298332657 167362123 /nfs/dbraw/zinc/36/21/23/167362123.db2.gz XJFDAJSTNMUBLQ-LLVKDONJSA-N -1 3 247.338 3.041 20 0 BGADHM CC(C)[C@H](C)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000298332661 188040627 /nfs/dbraw/zinc/04/06/27/188040627.db2.gz XJFDAJSTNMUBLQ-NSHDSACASA-N -1 3 247.338 3.041 20 0 BGADHM CCCN(CC(C)C)C(=O)c1cccc(C)c1[O-] ZINC000298457228 169105825 /nfs/dbraw/zinc/10/58/25/169105825.db2.gz SHLNVRZCXWKAPH-UHFFFAOYSA-N -1 3 249.354 3.209 20 0 BGADHM CCCN(CC(C)C)C(=O)c1cc(C)ccc1[O-] ZINC000298462292 169106282 /nfs/dbraw/zinc/10/62/82/169106282.db2.gz VIWQUMWUCODOGN-UHFFFAOYSA-N -1 3 249.354 3.209 20 0 BGADHM CCCN(CC(C)C)C(=O)c1ccc(C)cc1[O-] ZINC000298465586 169106441 /nfs/dbraw/zinc/10/64/41/169106441.db2.gz WWYNCUAIIJBRPR-UHFFFAOYSA-N -1 3 249.354 3.209 20 0 BGADHM CC(C)c1ccc(C(=O)N2CCCCC2)c([O-])c1 ZINC000298710442 386373856 /nfs/dbraw/zinc/37/38/56/386373856.db2.gz WDKADRVGHANABO-UHFFFAOYSA-N -1 3 247.338 3.142 20 0 BGADHM CCCN(CC)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000299436636 169117653 /nfs/dbraw/zinc/11/76/53/169117653.db2.gz ZCQRMMGESKNCKO-UHFFFAOYSA-N -1 3 249.354 3.388 20 0 BGADHM Cc1cc(C(=O)N[C@H]2CC[C@H](C)CC2)ccc1[O-] ZINC000300416040 256688138 /nfs/dbraw/zinc/68/81/38/256688138.db2.gz FBFUMGVPKVFXGR-MJHDQNEOSA-N -1 3 247.338 3.009 20 0 BGADHM CCCn1cc([N-]c2nc3ccccc3o2)cn1 ZINC000301427291 386842135 /nfs/dbraw/zinc/84/21/35/386842135.db2.gz FAADRFOEBYGFIX-UHFFFAOYSA-N -1 3 242.282 3.178 20 0 BGADHM CC(C)(C)CCCC(=O)[N-]OCc1ccccc1 ZINC000303193435 644809145 /nfs/dbraw/zinc/80/91/45/644809145.db2.gz KIAXZYFXGYZSTI-UHFFFAOYSA-N -1 3 249.354 3.451 20 0 BGADHM Cc1ccc(C(=O)NCCCC(C)(C)C)c([O-])c1 ZINC000303771524 369436201 /nfs/dbraw/zinc/43/62/01/369436201.db2.gz FLWMOTNIPZNQPK-UHFFFAOYSA-N -1 3 249.354 3.257 20 0 BGADHM Cc1ccc([O-])c(C(=O)NCCCC(C)(C)C)c1 ZINC000303847460 346635473 /nfs/dbraw/zinc/63/54/73/346635473.db2.gz RFOOLSUOZMHXBF-UHFFFAOYSA-N -1 3 249.354 3.257 20 0 BGADHM Cc1cccc(C(=O)NCCCC(C)(C)C)c1[O-] ZINC000303901972 369441881 /nfs/dbraw/zinc/44/18/81/369441881.db2.gz WCJADJFYXNTNAF-UHFFFAOYSA-N -1 3 249.354 3.257 20 0 BGADHM CC(C)(C)CCc1noc(-c2ccccc2[O-])n1 ZINC000305910172 384476882 /nfs/dbraw/zinc/47/68/82/384476882.db2.gz DIAZEAWIRGQNJD-UHFFFAOYSA-N -1 3 246.310 3.421 20 0 BGADHM CCCC[C@@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000305999157 528754560 /nfs/dbraw/zinc/75/45/60/528754560.db2.gz KOQYRJGRHFUGEC-LLVKDONJSA-N -1 3 235.327 3.465 20 0 BGADHM CCCC[C@H](C)C(=O)Nc1ccc(C)cc1[O-] ZINC000305999158 528886808 /nfs/dbraw/zinc/88/68/08/528886808.db2.gz KOQYRJGRHFUGEC-NSHDSACASA-N -1 3 235.327 3.465 20 0 BGADHM CC(C)C[C@@H](C)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000306082480 487606585 /nfs/dbraw/zinc/60/65/85/487606585.db2.gz DRWZIVQGLIQTCS-LLVKDONJSA-N -1 3 247.338 3.135 20 0 BGADHM CC(C)C[C@H](C)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000306082481 487606165 /nfs/dbraw/zinc/60/61/65/487606165.db2.gz DRWZIVQGLIQTCS-NSHDSACASA-N -1 3 247.338 3.135 20 0 BGADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000306089477 529341743 /nfs/dbraw/zinc/34/17/43/529341743.db2.gz IPQLNPULXNYMCL-NWDGAFQWSA-N -1 3 247.338 3.043 20 0 BGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC000306089479 369847585 /nfs/dbraw/zinc/84/75/85/369847585.db2.gz IPQLNPULXNYMCL-VXGBXAGGSA-N -1 3 247.338 3.043 20 0 BGADHM [O-]c1cccc(CNCc2ccccc2)c1Cl ZINC000306317019 183291347 /nfs/dbraw/zinc/29/13/47/183291347.db2.gz SHVTXSJXNKECDB-UHFFFAOYSA-N -1 3 247.725 3.335 20 0 BGADHM C[C@@H]1CCCC[C@]1(C)NC(=O)c1cccc([O-])c1 ZINC000308723242 259513993 /nfs/dbraw/zinc/51/39/93/259513993.db2.gz GTTOROZZVOHSLK-ABAIWWIYSA-N -1 3 247.338 3.091 20 0 BGADHM C[C@@H]1CCCC[C@@]1(C)NC(=O)c1cccc([O-])c1 ZINC000308723244 388448608 /nfs/dbraw/zinc/44/86/08/388448608.db2.gz GTTOROZZVOHSLK-IAQYHMDHSA-N -1 3 247.338 3.091 20 0 BGADHM C[C@H]1CCCC[C@]1(C)NC(=O)c1cccc([O-])c1 ZINC000308723245 388448347 /nfs/dbraw/zinc/44/83/47/388448347.db2.gz GTTOROZZVOHSLK-NHYWBVRUSA-N -1 3 247.338 3.091 20 0 BGADHM C[C@H]1CCCC[C@@]1(C)NC(=O)c1cccc([O-])c1 ZINC000308723247 388448237 /nfs/dbraw/zinc/44/82/37/388448237.db2.gz GTTOROZZVOHSLK-XHDPSFHLSA-N -1 3 247.338 3.091 20 0 BGADHM CCC1(C(=O)Nc2ccc([O-])cc2Cl)CC1 ZINC000309334844 350321932 /nfs/dbraw/zinc/32/19/32/350321932.db2.gz UBYKYBPXDIJGAD-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM CC(C)c1noc([N-]Cc2ccc(Cl)o2)n1 ZINC000309610916 384643613 /nfs/dbraw/zinc/64/36/13/384643613.db2.gz ZZANABPUNNCZEC-UHFFFAOYSA-N -1 3 241.678 3.052 20 0 BGADHM CC(C)(C)C(C)(C)C(=O)[N-]OCc1ccccc1 ZINC000309717591 711700529 /nfs/dbraw/zinc/70/05/29/711700529.db2.gz MLLSLXZILBHRSU-UHFFFAOYSA-N -1 3 249.354 3.307 20 0 BGADHM CC(C)(C)CCc1nc(-c2ccc([O-])cc2)no1 ZINC000310581338 388486044 /nfs/dbraw/zinc/48/60/44/388486044.db2.gz WSMQZQMGWYRMSD-UHFFFAOYSA-N -1 3 246.310 3.421 20 0 BGADHM Cc1cc(C(=O)NC(C)(C)C(C)(C)C)ccc1[O-] ZINC000310805105 229512829 /nfs/dbraw/zinc/51/28/29/229512829.db2.gz HOKHCBBEZQGDBQ-UHFFFAOYSA-N -1 3 249.354 3.255 20 0 BGADHM CCCC1(c2nc(-c3ccc([O-])cc3)no2)CC1 ZINC000310903538 388489499 /nfs/dbraw/zinc/48/94/99/388489499.db2.gz FSANJPGRXIQJFI-UHFFFAOYSA-N -1 3 244.294 3.274 20 0 BGADHM Cc1ccc(C(=O)NC(C)(C)C(C)(C)C)c([O-])c1 ZINC000311060392 344915125 /nfs/dbraw/zinc/91/51/25/344915125.db2.gz IMTZXFXGVRZGIH-UHFFFAOYSA-N -1 3 249.354 3.255 20 0 BGADHM CCCC[C@@H](C)N(C)C(=O)c1cccc(C)c1[O-] ZINC000311125750 388493200 /nfs/dbraw/zinc/49/32/00/388493200.db2.gz ICMINEUONCWSRG-GFCCVEGCSA-N -1 3 249.354 3.351 20 0 BGADHM CCCC[C@H](C)N(C)C(=O)c1cccc(C)c1[O-] ZINC000311125751 388493474 /nfs/dbraw/zinc/49/34/74/388493474.db2.gz ICMINEUONCWSRG-LBPRGKRZSA-N -1 3 249.354 3.351 20 0 BGADHM CC(C)(C)C(C)(C)CNC(=O)c1cccc([O-])c1 ZINC000311241507 136275713 /nfs/dbraw/zinc/27/57/13/136275713.db2.gz ZNAFVCBZPPIDSK-UHFFFAOYSA-N -1 3 249.354 3.194 20 0 BGADHM CC1(c2noc(-c3ccccc3[O-])n2)CCCC1 ZINC000312948492 350785418 /nfs/dbraw/zinc/78/54/18/350785418.db2.gz KGFPYHHFWOEMFL-UHFFFAOYSA-N -1 3 244.294 3.274 20 0 BGADHM CC[C@@H]1CC[C@H](C)N(C(=O)c2cccc([O-])c2)C1 ZINC000313003570 385101132 /nfs/dbraw/zinc/10/11/32/385101132.db2.gz XFEHDRSPDPVAPG-NWDGAFQWSA-N -1 3 247.338 3.043 20 0 BGADHM Cc1cc(C(=O)NCCCC(C)(C)C)ccc1[O-] ZINC000313465653 323091467 /nfs/dbraw/zinc/09/14/67/323091467.db2.gz XUXVZRIHPLUZJR-UHFFFAOYSA-N -1 3 249.354 3.257 20 0 BGADHM O=C(c1ccccc1[O-])N1CCCCCCCC1 ZINC000321887525 636758623 /nfs/dbraw/zinc/75/86/23/636758623.db2.gz UAUHCTIQDXOVPK-UHFFFAOYSA-N -1 3 247.338 3.189 20 0 BGADHM Cc1ccc(NC(=O)C(C)(C)C2CCC2)c([O-])c1 ZINC000322780312 388446788 /nfs/dbraw/zinc/44/67/88/388446788.db2.gz MNWPGDXSSNTMJW-UHFFFAOYSA-N -1 3 247.338 3.465 20 0 BGADHM CCC[C@H](NC(=O)c1cccc([O-])c1)C1CCC1 ZINC000325296943 386775317 /nfs/dbraw/zinc/77/53/17/386775317.db2.gz UMXJJTNIGUHAPS-AWEZNQCLSA-N -1 3 247.338 3.091 20 0 BGADHM CCC[C@@H](NC(=O)c1cccc([O-])c1)C1CCC1 ZINC000325296944 262806299 /nfs/dbraw/zinc/80/62/99/262806299.db2.gz UMXJJTNIGUHAPS-CQSZACIVSA-N -1 3 247.338 3.091 20 0 BGADHM CC1(CNCc2cccc([O-])c2Cl)CCC1 ZINC000328176135 168043087 /nfs/dbraw/zinc/04/30/87/168043087.db2.gz ATWWSEIRHWCKCC-UHFFFAOYSA-N -1 3 239.746 3.325 20 0 BGADHM CCC[C@@H](C)NCc1cccc([O-])c1Cl ZINC000328214617 388586455 /nfs/dbraw/zinc/58/64/55/388586455.db2.gz JNBPGOQIOKLQLR-SECBINFHSA-N -1 3 227.735 3.324 20 0 BGADHM CCC[C@H](C)NCc1cccc([O-])c1Cl ZINC000328214618 388407130 /nfs/dbraw/zinc/40/71/30/388407130.db2.gz JNBPGOQIOKLQLR-VIFPVBQESA-N -1 3 227.735 3.324 20 0 BGADHM CC[C@@H](C)CNCc1cccc([O-])c1Cl ZINC000328218840 388586478 /nfs/dbraw/zinc/58/64/78/388586478.db2.gz KYBQNDXCWVNUBE-SECBINFHSA-N -1 3 227.735 3.181 20 0 BGADHM CC[C@H](C)CNCc1cccc([O-])c1Cl ZINC000328218842 171286204 /nfs/dbraw/zinc/28/62/04/171286204.db2.gz KYBQNDXCWVNUBE-VIFPVBQESA-N -1 3 227.735 3.181 20 0 BGADHM CC1(C)CCN(Cc2cccc([O-])c2Cl)C1 ZINC000328239389 363862724 /nfs/dbraw/zinc/86/27/24/363862724.db2.gz QPJSMZUXBUOFEJ-UHFFFAOYSA-N -1 3 239.746 3.278 20 0 BGADHM CC[C@H]1CCN(Cc2cccc([O-])c2Cl)C1 ZINC000328239856 363862978 /nfs/dbraw/zinc/86/29/78/363862978.db2.gz QRFSTFDATKVHNZ-JTQLQIEISA-N -1 3 239.746 3.278 20 0 BGADHM CC[C@@H]1CCN(Cc2cccc([O-])c2Cl)C1 ZINC000328239857 363863111 /nfs/dbraw/zinc/86/31/11/363863111.db2.gz QRFSTFDATKVHNZ-SNVBAGLBSA-N -1 3 239.746 3.278 20 0 BGADHM CC(C)(NCc1cccc([O-])c1Cl)C1CC1 ZINC000328318935 388410964 /nfs/dbraw/zinc/41/09/64/388410964.db2.gz DLQGKHNUXFNKIZ-UHFFFAOYSA-N -1 3 239.746 3.324 20 0 BGADHM C[C@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000328332540 177076244 /nfs/dbraw/zinc/07/62/44/177076244.db2.gz IVYINLVDKBQVKQ-JTQLQIEISA-N -1 3 239.746 3.420 20 0 BGADHM C[C@@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000328332541 176073462 /nfs/dbraw/zinc/07/34/62/176073462.db2.gz IVYINLVDKBQVKQ-SNVBAGLBSA-N -1 3 239.746 3.420 20 0 BGADHM C[C@H](CC1CC1)NCc1cccc([O-])c1Cl ZINC000328343088 388624773 /nfs/dbraw/zinc/62/47/73/388624773.db2.gz LPJNYAUWSBWXCY-SECBINFHSA-N -1 3 239.746 3.324 20 0 BGADHM C[C@@H](CC1CC1)NCc1cccc([O-])c1Cl ZINC000328343089 388624454 /nfs/dbraw/zinc/62/44/54/388624454.db2.gz LPJNYAUWSBWXCY-VIFPVBQESA-N -1 3 239.746 3.324 20 0 BGADHM CCCN(CC)Cc1cccc([O-])c1Cl ZINC000328347368 136364054 /nfs/dbraw/zinc/36/40/54/136364054.db2.gz OKCKGSPZIMFDID-UHFFFAOYSA-N -1 3 227.735 3.278 20 0 BGADHM CC1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000328354104 168183921 /nfs/dbraw/zinc/18/39/21/168183921.db2.gz QOHFFDDIZOXBSI-UHFFFAOYSA-N -1 3 239.746 3.278 20 0 BGADHM [O-]c1cccc(CN2CCCCCC2)c1Cl ZINC000328364822 324566571 /nfs/dbraw/zinc/56/65/71/324566571.db2.gz UMJJZGWTNWZJST-UHFFFAOYSA-N -1 3 239.746 3.422 20 0 BGADHM CC1(NCc2cccc([O-])c2Cl)CCCC1 ZINC000328479137 323267519 /nfs/dbraw/zinc/26/75/19/323267519.db2.gz PHWCCSFEKWKLNS-UHFFFAOYSA-N -1 3 239.746 3.468 20 0 BGADHM C[C@H]1CC[C@@H](c2nc(-c3ccc([O-])cc3)no2)C1 ZINC000331613263 188225852 /nfs/dbraw/zinc/22/58/52/188225852.db2.gz RXPXHIMZZANURC-GXSJLCMTSA-N -1 3 244.294 3.346 20 0 BGADHM C[C@@H]1CC[C@H](c2nc(-c3ccc([O-])cc3)no2)C1 ZINC000331613265 176235435 /nfs/dbraw/zinc/23/54/35/176235435.db2.gz RXPXHIMZZANURC-KOLCDFICSA-N -1 3 244.294 3.346 20 0 BGADHM C[C@@H]1CC[C@@H](c2nc(-c3ccc([O-])cc3)no2)C1 ZINC000331613268 386873631 /nfs/dbraw/zinc/87/36/31/386873631.db2.gz RXPXHIMZZANURC-MWLCHTKSSA-N -1 3 244.294 3.346 20 0 BGADHM C[C@H]1CC[C@H](c2nc(-c3ccc([O-])cc3)no2)C1 ZINC000331613270 188226217 /nfs/dbraw/zinc/22/62/17/188226217.db2.gz RXPXHIMZZANURC-ONGXEEELSA-N -1 3 244.294 3.346 20 0 BGADHM CCCC1(C(=O)Nc2nc(C)ccc2[O-])CCC1 ZINC000332485778 386983516 /nfs/dbraw/zinc/98/35/16/386983516.db2.gz WCSZUFJKXUOCCZ-UHFFFAOYSA-N -1 3 248.326 3.005 20 0 BGADHM Cc1ccc(C(=O)N(C)C2(C)CCCC2)c([O-])c1 ZINC000334206589 352801785 /nfs/dbraw/zinc/80/17/85/352801785.db2.gz ZSSFXIVTPAFIMQ-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM [O-]c1ccc(-c2noc(C3(F)CCCC3)n2)cc1 ZINC000334242258 352830309 /nfs/dbraw/zinc/83/03/09/352830309.db2.gz QHLHMGSZYBNCNS-UHFFFAOYSA-N -1 3 248.257 3.181 20 0 BGADHM [O-]c1cccc(CN2CCC23CCC3)c1Cl ZINC000334263527 352897433 /nfs/dbraw/zinc/89/74/33/352897433.db2.gz JWTCOWHBEKTYPH-UHFFFAOYSA-N -1 3 237.730 3.174 20 0 BGADHM Cc1csc(C(=O)Nc2ccccc2[O-])c1 ZINC000334265545 384417953 /nfs/dbraw/zinc/41/79/53/384417953.db2.gz LTLBBARHVWWCRJ-UHFFFAOYSA-N -1 3 233.292 3.014 20 0 BGADHM CC1(C(=O)Nc2cccc([O-])c2F)CCCC1 ZINC000334270928 352907826 /nfs/dbraw/zinc/90/78/26/352907826.db2.gz GFJYARDITOWVID-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM Cc1cscc1NC(=O)c1ccc([O-])c(C)c1 ZINC000334304429 384430402 /nfs/dbraw/zinc/43/04/02/384430402.db2.gz BYYYJGZGUJBGJU-UHFFFAOYSA-N -1 3 247.319 3.323 20 0 BGADHM CC(C)c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000334309672 352941797 /nfs/dbraw/zinc/94/17/97/352941797.db2.gz MUZFDGCFDLYMFR-VOTSOKGWSA-N -1 3 230.267 3.069 20 0 BGADHM [O-]c1cccc(CN[C@@H]2CC[C@@H](F)C2)c1Cl ZINC000334349797 183290645 /nfs/dbraw/zinc/29/06/45/183290645.db2.gz AQYCHSQMZVUNJK-NXEZZACHSA-N -1 3 243.709 3.026 20 0 BGADHM [O-]c1cccc(CN[C@H]2CC[C@H](F)C2)c1Cl ZINC000334349799 183291482 /nfs/dbraw/zinc/29/14/82/183291482.db2.gz AQYCHSQMZVUNJK-UWVGGRQHSA-N -1 3 243.709 3.026 20 0 BGADHM [O-]c1cccc(CN[C@@H]2CC[C@H](F)C2)c1Cl ZINC000334349801 183290799 /nfs/dbraw/zinc/29/07/99/183290799.db2.gz AQYCHSQMZVUNJK-VHSXEESVSA-N -1 3 243.709 3.026 20 0 BGADHM [O-]c1cccc(CN[C@H]2CC[C@@H](F)C2)c1Cl ZINC000334349803 183292200 /nfs/dbraw/zinc/29/22/00/183292200.db2.gz AQYCHSQMZVUNJK-ZJUUUORDSA-N -1 3 243.709 3.026 20 0 BGADHM CC1=C(C(=O)Nc2c(C)cccc2[O-])CCC1 ZINC000334369143 135373173 /nfs/dbraw/zinc/37/31/73/135373173.db2.gz MXNRHAOQFVAHOL-UHFFFAOYSA-N -1 3 231.295 3.140 20 0 BGADHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])oc1C ZINC000334374153 135377452 /nfs/dbraw/zinc/37/74/52/135377452.db2.gz UAZXRQZPNLMTSO-UHFFFAOYSA-N -1 3 245.278 3.163 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC[C@H](C)C1 ZINC000334376869 135378152 /nfs/dbraw/zinc/37/81/52/135378152.db2.gz FKQDDWCIGNOPBO-GXSJLCMTSA-N -1 3 233.311 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CC[C@@H](C)C1 ZINC000334376871 135377768 /nfs/dbraw/zinc/37/77/68/135377768.db2.gz FKQDDWCIGNOPBO-KOLCDFICSA-N -1 3 233.311 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000334376874 135378304 /nfs/dbraw/zinc/37/83/04/135378304.db2.gz FKQDDWCIGNOPBO-MWLCHTKSSA-N -1 3 233.311 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CC[C@H](C)C1 ZINC000334376876 135378298 /nfs/dbraw/zinc/37/82/98/135378298.db2.gz FKQDDWCIGNOPBO-ONGXEEELSA-N -1 3 233.311 3.075 20 0 BGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CC12CCCC2 ZINC000334405408 135392917 /nfs/dbraw/zinc/39/29/17/135392917.db2.gz HGZRWBOSNKYIAY-JTQLQIEISA-N -1 3 249.285 3.050 20 0 BGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CC12CCCC2 ZINC000334405412 135393219 /nfs/dbraw/zinc/39/32/19/135393219.db2.gz HGZRWBOSNKYIAY-SNVBAGLBSA-N -1 3 249.285 3.050 20 0 BGADHM CC(C)C(C)(C)C(=O)Nc1ccc([O-])cc1F ZINC000334496160 386389159 /nfs/dbraw/zinc/38/91/59/386389159.db2.gz CZFZLSUSEJRKHT-UHFFFAOYSA-N -1 3 239.290 3.152 20 0 BGADHM [O-]c1ccccc1-c1nc(C(F)F)cs1 ZINC000334523403 353892306 /nfs/dbraw/zinc/89/23/06/353892306.db2.gz ZBCJCWMBOWHTMM-UHFFFAOYSA-N -1 3 227.235 3.453 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)C1CCC1 ZINC000334561205 354114913 /nfs/dbraw/zinc/11/49/13/354114913.db2.gz BNHIRYRTXAPXSP-JTQLQIEISA-N -1 3 233.311 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)C1CCC1 ZINC000334561210 354114794 /nfs/dbraw/zinc/11/47/94/354114794.db2.gz BNHIRYRTXAPXSP-SNVBAGLBSA-N -1 3 233.311 3.075 20 0 BGADHM C[C@]1(C(=O)Nc2ccc([O-])cc2F)CC=CCC1 ZINC000334679899 354425783 /nfs/dbraw/zinc/42/57/83/354425783.db2.gz WHRBFPOMMNVZPS-AWEZNQCLSA-N -1 3 249.285 3.216 20 0 BGADHM C[C@@]1(C(=O)Nc2ccc([O-])cc2F)CC=CCC1 ZINC000334679900 354426140 /nfs/dbraw/zinc/42/61/40/354426140.db2.gz WHRBFPOMMNVZPS-CQSZACIVSA-N -1 3 249.285 3.216 20 0 BGADHM C[C@H]1CC=C(C(=O)Nc2ccccc2[O-])CC1 ZINC000334697393 354489238 /nfs/dbraw/zinc/48/92/38/354489238.db2.gz AUVGWYNEXGYERM-JTQLQIEISA-N -1 3 231.295 3.077 20 0 BGADHM C[C@@H]1CC=C(C(=O)Nc2ccccc2[O-])CC1 ZINC000334697395 354489185 /nfs/dbraw/zinc/48/91/85/354489185.db2.gz AUVGWYNEXGYERM-SNVBAGLBSA-N -1 3 231.295 3.077 20 0 BGADHM Cc1cccc(C(=O)N(C)C2(C)CCCC2)c1[O-] ZINC000334719255 354518393 /nfs/dbraw/zinc/51/83/93/354518393.db2.gz BFKMBEGGBODFIY-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM C[C@@H]1CC=C(C(=O)Nc2cccc([O-])c2F)CC1 ZINC000334739849 385620603 /nfs/dbraw/zinc/62/06/03/385620603.db2.gz JCIAJHGDNSHWEG-SECBINFHSA-N -1 3 249.285 3.216 20 0 BGADHM C[C@H]1CC=C(C(=O)Nc2cccc([O-])c2F)CC1 ZINC000334739851 133745112 /nfs/dbraw/zinc/74/51/12/133745112.db2.gz JCIAJHGDNSHWEG-VIFPVBQESA-N -1 3 249.285 3.216 20 0 BGADHM CC(C)=C(F)c1nc(-c2ccc([O-])cc2)no1 ZINC000334766342 354587501 /nfs/dbraw/zinc/58/75/01/354587501.db2.gz AQLYYPYATRYVTR-UHFFFAOYSA-N -1 3 234.230 3.163 20 0 BGADHM CCN(C(=O)c1cccc([O-])c1)C1CC(C)(C)C1 ZINC000334813125 354570535 /nfs/dbraw/zinc/57/05/35/354570535.db2.gz YLOFBVNNRZCHME-UHFFFAOYSA-N -1 3 247.338 3.043 20 0 BGADHM CCN(C(=O)c1ccccc1[O-])C1CC(C)(C)C1 ZINC000334815344 354572845 /nfs/dbraw/zinc/57/28/45/354572845.db2.gz XCLQISLGDIGRNY-UHFFFAOYSA-N -1 3 247.338 3.043 20 0 BGADHM [O-]c1cccc(CN[C@H]2CCC[C@H]2F)c1Cl ZINC000334823092 183291073 /nfs/dbraw/zinc/29/10/73/183291073.db2.gz QHKVFAAADHNRPB-ZJUUUORDSA-N -1 3 243.709 3.026 20 0 BGADHM Cc1cscc1NC(=O)c1cccc([O-])c1 ZINC000334871115 386930830 /nfs/dbraw/zinc/93/08/30/386930830.db2.gz VMXFJGULHCHSIP-UHFFFAOYSA-N -1 3 233.292 3.014 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C1=CC[C@H](C)CC1 ZINC000334986093 135858289 /nfs/dbraw/zinc/85/82/89/135858289.db2.gz PTEFUSFXKSJFIT-JTQLQIEISA-N -1 3 245.322 3.386 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C1=CC[C@@H](C)CC1 ZINC000334986094 387073170 /nfs/dbraw/zinc/07/31/70/387073170.db2.gz PTEFUSFXKSJFIT-SNVBAGLBSA-N -1 3 245.322 3.386 20 0 BGADHM Cc1cccc(C)c1C(=O)Nc1ccccc1[O-] ZINC000335016410 385973223 /nfs/dbraw/zinc/97/32/23/385973223.db2.gz KOKKNFHBQZZUCO-UHFFFAOYSA-N -1 3 241.290 3.261 20 0 BGADHM C[C@@H]1CC=C(C(=O)Nc2ccc([O-])cc2F)CC1 ZINC000335148474 187363016 /nfs/dbraw/zinc/36/30/16/187363016.db2.gz WPMUOYZHXGYUGZ-SECBINFHSA-N -1 3 249.285 3.216 20 0 BGADHM C[C@H]1CC=C(C(=O)Nc2ccc([O-])cc2F)CC1 ZINC000335148475 386157401 /nfs/dbraw/zinc/15/74/01/386157401.db2.gz WPMUOYZHXGYUGZ-VIFPVBQESA-N -1 3 249.285 3.216 20 0 BGADHM O=C(Nc1ccccc1[O-])c1ccoc1C1CC1 ZINC000335328507 136052893 /nfs/dbraw/zinc/05/28/93/136052893.db2.gz AAIICYFRHUXPAQ-UHFFFAOYSA-N -1 3 243.262 3.115 20 0 BGADHM CCN(C(=O)c1ccc(C)c(C)c1[O-])C1CCC1 ZINC000335332686 136054669 /nfs/dbraw/zinc/05/46/69/136054669.db2.gz WDOFQLBCRLZEQI-UHFFFAOYSA-N -1 3 247.338 3.024 20 0 BGADHM Cc1cc(C(=O)N(C)C2(C)CCCC2)ccc1[O-] ZINC000335342943 136064799 /nfs/dbraw/zinc/06/47/99/136064799.db2.gz DLZRWKCBAMGUKN-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1cscc1C(=O)Nc1ccccc1[O-] ZINC000335350975 136068519 /nfs/dbraw/zinc/06/85/19/136068519.db2.gz QJSWHHNIQZHAAU-UHFFFAOYSA-N -1 3 233.292 3.014 20 0 BGADHM O=C(Nc1cccc([O-])c1F)C1CC2(CCC2)C1 ZINC000335490662 386609559 /nfs/dbraw/zinc/60/95/59/386609559.db2.gz YNZXYYUPBSQYJB-UHFFFAOYSA-N -1 3 249.285 3.050 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C1CC2(CCC2)C1 ZINC000335494182 386614592 /nfs/dbraw/zinc/61/45/92/386614592.db2.gz JWMDCAAOSGNFEJ-UHFFFAOYSA-N -1 3 245.322 3.219 20 0 BGADHM O=C(Nc1ccc([O-])cc1F)C1CC2(CCC2)C1 ZINC000335508562 386640538 /nfs/dbraw/zinc/64/05/38/386640538.db2.gz VYZDKIXYWGQXAV-UHFFFAOYSA-N -1 3 249.285 3.050 20 0 BGADHM Cc1ccc(C(=O)N(C(C)C)C2CCC2)c([O-])c1 ZINC000335677682 136319184 /nfs/dbraw/zinc/31/91/84/136319184.db2.gz SUJYCBNIXYWJSR-UHFFFAOYSA-N -1 3 247.338 3.104 20 0 BGADHM C[C@H](C(=O)Nc1ccc([O-])cc1F)C(C)(C)C ZINC000335709205 488177040 /nfs/dbraw/zinc/17/70/40/488177040.db2.gz MCVCQKWFXIBJSH-MRVPVSSYSA-N -1 3 239.290 3.152 20 0 BGADHM C[C@@H](C(=O)Nc1ccc([O-])cc1F)C(C)(C)C ZINC000335709206 488177379 /nfs/dbraw/zinc/17/73/79/488177379.db2.gz MCVCQKWFXIBJSH-QMMMGPOBSA-N -1 3 239.290 3.152 20 0 BGADHM C[C@H]1C[C@@H]1c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000335767590 133897470 /nfs/dbraw/zinc/89/74/70/133897470.db2.gz YJURUKDQOOBDJJ-DWJJEPNESA-N -1 3 242.278 3.069 20 0 BGADHM C[C@H]1C[C@H]1c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000335767591 386909659 /nfs/dbraw/zinc/90/96/59/386909659.db2.gz YJURUKDQOOBDJJ-FSRQASEOSA-N -1 3 242.278 3.069 20 0 BGADHM C[C@@H]1C[C@@H]1c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000335767592 386909807 /nfs/dbraw/zinc/90/98/07/386909807.db2.gz YJURUKDQOOBDJJ-PBXKEAHJSA-N -1 3 242.278 3.069 20 0 BGADHM C[C@@H]1C[C@H]1c1noc(/C=C/c2cccc([O-])c2)n1 ZINC000335767593 386909895 /nfs/dbraw/zinc/90/98/95/386909895.db2.gz YJURUKDQOOBDJJ-SNSIUTFNSA-N -1 3 242.278 3.069 20 0 BGADHM C[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc([O-])cc1F ZINC000335827363 355552569 /nfs/dbraw/zinc/55/25/69/355552569.db2.gz RYSQTVIEOUAMJL-MWLCHTKSSA-N -1 3 249.285 3.072 20 0 BGADHM C[C@H](C(=O)Nc1cccc([O-])c1F)C(C)(C)C ZINC000335849707 355593747 /nfs/dbraw/zinc/59/37/47/355593747.db2.gz OELMCFYFSSSGRG-MRVPVSSYSA-N -1 3 239.290 3.152 20 0 BGADHM C[C@@H](C(=O)Nc1cccc([O-])c1F)C(C)(C)C ZINC000335849708 355593885 /nfs/dbraw/zinc/59/38/85/355593885.db2.gz OELMCFYFSSSGRG-QMMMGPOBSA-N -1 3 239.290 3.152 20 0 BGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CC12CCCC2 ZINC000335857499 136356143 /nfs/dbraw/zinc/35/61/43/136356143.db2.gz QMEIKDJMPOOONN-SECBINFHSA-N -1 3 249.285 3.050 20 0 BGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CC12CCCC2 ZINC000335857501 136356256 /nfs/dbraw/zinc/35/62/56/136356256.db2.gz QMEIKDJMPOOONN-VIFPVBQESA-N -1 3 249.285 3.050 20 0 BGADHM CC1=C(C(=O)Nc2ccc(C)cc2[O-])CCC1 ZINC000335863455 355626804 /nfs/dbraw/zinc/62/68/04/355626804.db2.gz ZYKBWYHKWDZIEA-UHFFFAOYSA-N -1 3 231.295 3.140 20 0 BGADHM O=C(C[C@H]1C=CCCC1)Nc1ccc([O-])cc1F ZINC000335907059 136371153 /nfs/dbraw/zinc/37/11/53/136371153.db2.gz IRKNFDZAGVPBRI-JTQLQIEISA-N -1 3 249.285 3.216 20 0 BGADHM O=C(C[C@@H]1C=CCCC1)Nc1ccc([O-])cc1F ZINC000335907061 136371320 /nfs/dbraw/zinc/37/13/20/136371320.db2.gz IRKNFDZAGVPBRI-SNVBAGLBSA-N -1 3 249.285 3.216 20 0 BGADHM CC(C)c1ccoc1C(=O)Nc1ccccc1[O-] ZINC000335931377 134010756 /nfs/dbraw/zinc/01/07/56/134010756.db2.gz LZPBSJGNPBXFFU-UHFFFAOYSA-N -1 3 245.278 3.361 20 0 BGADHM CC(C)c1[nH]ccc1C(=O)Nc1ccccc1[O-] ZINC000335941495 535319122 /nfs/dbraw/zinc/31/91/22/535319122.db2.gz SVPNWSZFWJYRHZ-UHFFFAOYSA-N -1 3 244.294 3.096 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C1CC(C)(C)C1 ZINC000335942162 134018389 /nfs/dbraw/zinc/01/83/89/134018389.db2.gz BVZGDYGCHRTUPN-UHFFFAOYSA-N -1 3 233.311 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)c1cccs1 ZINC000335947069 179161540 /nfs/dbraw/zinc/16/15/40/179161540.db2.gz CANWFGKEBWGZTL-UHFFFAOYSA-N -1 3 233.292 3.014 20 0 BGADHM O=C([N-]c1ccsc1Cl)c1cncs1 ZINC000335958449 134023970 /nfs/dbraw/zinc/02/39/70/134023970.db2.gz FMQNNZBNMDEGNW-UHFFFAOYSA-N -1 3 244.728 3.110 20 0 BGADHM [O-]c1ccc(F)c(CNc2ccccc2)c1F ZINC000336023751 134054713 /nfs/dbraw/zinc/05/47/13/134054713.db2.gz QLGYAHUBLRVAPY-UHFFFAOYSA-N -1 3 235.233 3.283 20 0 BGADHM CC(C)c1occc1C(=O)Nc1ccccc1[O-] ZINC000336082773 134075633 /nfs/dbraw/zinc/07/56/33/134075633.db2.gz LCJFDXQYYHLUCI-UHFFFAOYSA-N -1 3 245.278 3.361 20 0 BGADHM CCc1occc1C(=O)Nc1c(C)cccc1[O-] ZINC000336150364 535928724 /nfs/dbraw/zinc/92/87/24/535928724.db2.gz UPMRCJLMMNMKMG-UHFFFAOYSA-N -1 3 245.278 3.108 20 0 BGADHM Cc1cccc([O-])c1NC(=O)c1ccsc1 ZINC000336153261 134104796 /nfs/dbraw/zinc/10/47/96/134104796.db2.gz UXQRMWIOBBDFGS-UHFFFAOYSA-N -1 3 233.292 3.014 20 0 BGADHM CN(C(=O)c1ccccc1[O-])[C@@H]1CCC(C)(C)C1 ZINC000336157545 536068447 /nfs/dbraw/zinc/06/84/47/536068447.db2.gz HEEIYQVALKCSFG-LLVKDONJSA-N -1 3 247.338 3.043 20 0 BGADHM CN(C(=O)c1ccccc1[O-])[C@H]1CCC(C)(C)C1 ZINC000336157546 536069346 /nfs/dbraw/zinc/06/93/46/536069346.db2.gz HEEIYQVALKCSFG-NSHDSACASA-N -1 3 247.338 3.043 20 0 BGADHM Cc1cc(C(=O)N(C(C)C)C2CCC2)ccc1[O-] ZINC000336157843 134106473 /nfs/dbraw/zinc/10/64/73/134106473.db2.gz VSYXACDJTNZKPL-UHFFFAOYSA-N -1 3 247.338 3.104 20 0 BGADHM C[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000336165045 134112814 /nfs/dbraw/zinc/11/28/14/134112814.db2.gz VDHGLOPIYMUSAH-NXEZZACHSA-N -1 3 249.285 3.072 20 0 BGADHM CC(C)C(C)(C)C(=O)Nc1ccccc1[O-] ZINC000336178952 134117828 /nfs/dbraw/zinc/11/78/28/134117828.db2.gz BPJSIXZLZRWZFJ-UHFFFAOYSA-N -1 3 221.300 3.013 20 0 BGADHM C[C@]1(C(=O)Nc2cccc([O-])c2F)CC=CCC1 ZINC000336186114 134121462 /nfs/dbraw/zinc/12/14/62/134121462.db2.gz RAJXREUPJYYCMW-AWEZNQCLSA-N -1 3 249.285 3.216 20 0 BGADHM C[C@@]1(C(=O)Nc2cccc([O-])c2F)CC=CCC1 ZINC000336186115 134121454 /nfs/dbraw/zinc/12/14/54/134121454.db2.gz RAJXREUPJYYCMW-CQSZACIVSA-N -1 3 249.285 3.216 20 0 BGADHM CCc1oc(C(=O)[N-]c2c(C)noc2C)cc1C ZINC000336195713 134125598 /nfs/dbraw/zinc/12/55/98/134125598.db2.gz ULJWQZWOYMPVFY-UHFFFAOYSA-N -1 3 248.282 3.008 20 0 BGADHM CC1(F)CC(NCc2cccc([O-])c2Cl)C1 ZINC000336215461 134137038 /nfs/dbraw/zinc/13/70/38/134137038.db2.gz OVJMPOLSKQFDRO-UHFFFAOYSA-N -1 3 243.709 3.026 20 0 BGADHM [O-]c1cccc(CN2CC[C@@H]2C2CC2)c1Cl ZINC000336216334 134137360 /nfs/dbraw/zinc/13/73/60/134137360.db2.gz SUFISRBAZAXHGE-LLVKDONJSA-N -1 3 237.730 3.030 20 0 BGADHM [O-]c1cccc(CN2CC[C@H]2C2CC2)c1Cl ZINC000336216335 134137214 /nfs/dbraw/zinc/13/72/14/134137214.db2.gz SUFISRBAZAXHGE-NSHDSACASA-N -1 3 237.730 3.030 20 0 BGADHM Cc1coc(C)c1C(=O)Nc1c(C)cccc1[O-] ZINC000336235090 179161090 /nfs/dbraw/zinc/16/10/90/179161090.db2.gz SNYGMJWEWDQJKB-UHFFFAOYSA-N -1 3 245.278 3.163 20 0 BGADHM CC(C)(C(=O)Nc1ccccc1[O-])C1CCC1 ZINC000336238005 166511303 /nfs/dbraw/zinc/51/13/03/166511303.db2.gz IWOJZTIYZOBLGQ-UHFFFAOYSA-N -1 3 233.311 3.157 20 0 BGADHM C[C@]1(C(=O)Nc2ccccc2[O-])CC=CCC1 ZINC000336238006 387075707 /nfs/dbraw/zinc/07/57/07/387075707.db2.gz IXSZDWQBOKHMPA-AWEZNQCLSA-N -1 3 231.295 3.077 20 0 BGADHM C[C@@]1(C(=O)Nc2ccccc2[O-])CC=CCC1 ZINC000336238007 387074897 /nfs/dbraw/zinc/07/48/97/387074897.db2.gz IXSZDWQBOKHMPA-CQSZACIVSA-N -1 3 231.295 3.077 20 0 BGADHM CC(C)(C(=O)Nc1ccccc1[O-])C(C)(F)F ZINC000336238119 387074295 /nfs/dbraw/zinc/07/42/95/387074295.db2.gz UNFNFUAAHJPBPZ-UHFFFAOYSA-N -1 3 243.253 3.012 20 0 BGADHM CC(C)C(C)(C)C(=O)Nc1cccc([O-])c1F ZINC000336311351 387140357 /nfs/dbraw/zinc/14/03/57/387140357.db2.gz FBYWFVPCWWUKSC-UHFFFAOYSA-N -1 3 239.290 3.152 20 0 BGADHM [O-]c1cccc(CN[C@@H]2CCC[C@@H]2F)c1Cl ZINC000336359440 183290890 /nfs/dbraw/zinc/29/08/90/183290890.db2.gz QHKVFAAADHNRPB-VHSXEESVSA-N -1 3 243.709 3.026 20 0 BGADHM O=C(Nc1ccc([O-])cc1F)C12CCC(CC1)C2 ZINC000336389275 182360455 /nfs/dbraw/zinc/36/04/55/182360455.db2.gz JEAHWHJCHZJEQU-UHFFFAOYSA-N -1 3 249.285 3.050 20 0 BGADHM Cc1ccc(NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)c([O-])c1 ZINC000336394255 387222225 /nfs/dbraw/zinc/22/22/25/387222225.db2.gz OUQUROQWGKIOJP-QHBPRCKVSA-N -1 3 245.322 3.075 20 0 BGADHM Cc1ccc([O-])c(C(=O)N(C)C2(C)CCCC2)c1 ZINC000336419677 387244935 /nfs/dbraw/zinc/24/49/35/387244935.db2.gz LUTHTDWQDLCFCT-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1ccc(C(=O)N(C)C2CCCC2)c([O-])c1C ZINC000336470751 178374716 /nfs/dbraw/zinc/37/47/16/178374716.db2.gz IXQYACVLLLJNAU-UHFFFAOYSA-N -1 3 247.338 3.024 20 0 BGADHM [O-]c1ccc(-c2noc(C3=CCCC3)n2)cc1 ZINC000336471185 183265805 /nfs/dbraw/zinc/26/58/05/183265805.db2.gz SPFYNSJFFKGTJL-UHFFFAOYSA-N -1 3 228.251 3.010 20 0 BGADHM Cc1cccc(C(=O)N(C(C)C)C2CCC2)c1[O-] ZINC000336506940 179004142 /nfs/dbraw/zinc/00/41/42/179004142.db2.gz BCIFTUWBNYROHG-UHFFFAOYSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1ccc([O-])c(C(=O)N(C(C)C)C2CCC2)c1 ZINC000336506971 387331184 /nfs/dbraw/zinc/33/11/84/387331184.db2.gz NNJVNZPJLDPFKL-UHFFFAOYSA-N -1 3 247.338 3.104 20 0 BGADHM O=C(Nc1cccc([O-])c1F)C1=CCCCCC1 ZINC000336545936 182371823 /nfs/dbraw/zinc/37/18/23/182371823.db2.gz NFOIDCBBCPPGDG-UHFFFAOYSA-N -1 3 249.285 3.360 20 0 BGADHM O=C(Nc1cccc([O-])c1F)C12CCC(CC1)C2 ZINC000336571399 182372537 /nfs/dbraw/zinc/37/25/37/182372537.db2.gz BLDSFHXOFDLQAQ-UHFFFAOYSA-N -1 3 249.285 3.050 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CC12CCCC2 ZINC000336595566 179160969 /nfs/dbraw/zinc/16/09/69/179160969.db2.gz XJSPOQYIKNPBKP-LLVKDONJSA-N -1 3 245.322 3.219 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC12CCCC2 ZINC000336595567 179160023 /nfs/dbraw/zinc/16/00/23/179160023.db2.gz XJSPOQYIKNPBKP-NSHDSACASA-N -1 3 245.322 3.219 20 0 BGADHM CN(C(=O)c1cccc([O-])c1)[C@@H]1CCC(C)(C)C1 ZINC000336609129 172342132 /nfs/dbraw/zinc/34/21/32/172342132.db2.gz JXZCJXHTWWKPOB-GFCCVEGCSA-N -1 3 247.338 3.043 20 0 BGADHM CN(C(=O)c1cccc([O-])c1)[C@H]1CCC(C)(C)C1 ZINC000336609130 172342358 /nfs/dbraw/zinc/34/23/58/172342358.db2.gz JXZCJXHTWWKPOB-LBPRGKRZSA-N -1 3 247.338 3.043 20 0 BGADHM CCCC[C@@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000336686400 346916545 /nfs/dbraw/zinc/91/65/45/346916545.db2.gz DTECMGXKCFFBSA-SECBINFHSA-N -1 3 239.290 3.296 20 0 BGADHM CCCC[C@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000336686407 358493936 /nfs/dbraw/zinc/49/39/36/358493936.db2.gz DTECMGXKCFFBSA-VIFPVBQESA-N -1 3 239.290 3.296 20 0 BGADHM CCCC1(C(=O)Nc2ccc(C)cc2[O-])CC1 ZINC000336711198 385799824 /nfs/dbraw/zinc/79/98/24/385799824.db2.gz PNDJNOCHVJCBCS-UHFFFAOYSA-N -1 3 233.311 3.219 20 0 BGADHM CCCC1(C(=O)Nc2ccc([O-])cc2F)CC1 ZINC000336719640 385861127 /nfs/dbraw/zinc/86/11/27/385861127.db2.gz VVJRQLJOCIGOJX-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM CC[C@@H](C)N(C)Cc1cccc([O-])c1Cl ZINC000336887284 388428772 /nfs/dbraw/zinc/42/87/72/388428772.db2.gz CUSQIYHQAXGNPH-SECBINFHSA-N -1 3 227.735 3.276 20 0 BGADHM CC[C@H](C)N(C)Cc1cccc([O-])c1Cl ZINC000336887285 171308470 /nfs/dbraw/zinc/30/84/70/171308470.db2.gz CUSQIYHQAXGNPH-VIFPVBQESA-N -1 3 227.735 3.276 20 0 BGADHM C[C@H]1CN(Cc2cccc([O-])c2Cl)C[C@H]1C ZINC000336888657 176305812 /nfs/dbraw/zinc/30/58/12/176305812.db2.gz FJISJYIXXRQOBQ-AOOOYVTPSA-N -1 3 239.746 3.133 20 0 BGADHM C[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@H]1C ZINC000336888660 176306242 /nfs/dbraw/zinc/30/62/42/176306242.db2.gz FJISJYIXXRQOBQ-NXEZZACHSA-N -1 3 239.746 3.133 20 0 BGADHM C[C@H]1CN(Cc2cccc([O-])c2Cl)C[C@@H]1C ZINC000336888661 177264589 /nfs/dbraw/zinc/26/45/89/177264589.db2.gz FJISJYIXXRQOBQ-UWVGGRQHSA-N -1 3 239.746 3.133 20 0 BGADHM C[C@H]1CC[C@@H](NCc2cccc([O-])c2Cl)C1 ZINC000336889629 177193724 /nfs/dbraw/zinc/19/37/24/177193724.db2.gz GNFQEACKBDPANE-GXSJLCMTSA-N -1 3 239.746 3.324 20 0 BGADHM C[C@@H]1CC[C@H](NCc2cccc([O-])c2Cl)C1 ZINC000336889630 176233981 /nfs/dbraw/zinc/23/39/81/176233981.db2.gz GNFQEACKBDPANE-KOLCDFICSA-N -1 3 239.746 3.324 20 0 BGADHM C[C@@H]1CC[C@@H](NCc2cccc([O-])c2Cl)C1 ZINC000336889631 176213108 /nfs/dbraw/zinc/21/31/08/176213108.db2.gz GNFQEACKBDPANE-MWLCHTKSSA-N -1 3 239.746 3.324 20 0 BGADHM C[C@H]1CC[C@H](NCc2cccc([O-])c2Cl)C1 ZINC000336889632 177205519 /nfs/dbraw/zinc/20/55/19/177205519.db2.gz GNFQEACKBDPANE-ONGXEEELSA-N -1 3 239.746 3.324 20 0 BGADHM CC1(C)CCCN1Cc1cccc([O-])c1Cl ZINC000336894097 365380814 /nfs/dbraw/zinc/38/08/14/365380814.db2.gz LMRVYDLAPIKBCO-UHFFFAOYSA-N -1 3 239.746 3.420 20 0 BGADHM CC1(C)C[C@H]1CNCc1cccc([O-])c1Cl ZINC000336897136 364848025 /nfs/dbraw/zinc/84/80/25/364848025.db2.gz OUAHCEVXOGVPFE-JTQLQIEISA-N -1 3 239.746 3.181 20 0 BGADHM CC1(C)C[C@@H]1CNCc1cccc([O-])c1Cl ZINC000336897139 136376411 /nfs/dbraw/zinc/37/64/11/136376411.db2.gz OUAHCEVXOGVPFE-SNVBAGLBSA-N -1 3 239.746 3.181 20 0 BGADHM CCC1(CNCc2cccc([O-])c2Cl)CC1 ZINC000336904326 388441472 /nfs/dbraw/zinc/44/14/72/388441472.db2.gz VXMPLEQWKQEGQJ-UHFFFAOYSA-N -1 3 239.746 3.325 20 0 BGADHM CC[C@@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000336904700 364884867 /nfs/dbraw/zinc/88/48/67/364884867.db2.gz WBOGGJQXFZPRTM-LLVKDONJSA-N -1 3 239.746 3.420 20 0 BGADHM CC[C@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000336904701 388442387 /nfs/dbraw/zinc/44/23/87/388442387.db2.gz WBOGGJQXFZPRTM-NSHDSACASA-N -1 3 239.746 3.420 20 0 BGADHM C[C@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000336905779 177101451 /nfs/dbraw/zinc/10/14/51/177101451.db2.gz XEFURPWVIUCBPF-JTQLQIEISA-N -1 3 239.746 3.278 20 0 BGADHM C[C@@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000336905780 176101060 /nfs/dbraw/zinc/10/10/60/176101060.db2.gz XEFURPWVIUCBPF-SNVBAGLBSA-N -1 3 239.746 3.278 20 0 BGADHM CC(C)(C)c1ccc(NC(=O)C2CC2)c([O-])c1 ZINC000337393966 187325014 /nfs/dbraw/zinc/32/50/14/187325014.db2.gz FBUDJPNCAISRGE-UHFFFAOYSA-N -1 3 233.311 3.038 20 0 BGADHM CCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337644525 168244383 /nfs/dbraw/zinc/24/43/83/168244383.db2.gz GSSLGPLOHPSCLX-UHFFFAOYSA-N -1 3 221.300 3.038 20 0 BGADHM CC(C)(C)c1ccc(NC(=O)C2(C)CC2)c([O-])c1 ZINC000337663558 385743325 /nfs/dbraw/zinc/74/33/25/385743325.db2.gz RYZNUNAZPWYTJZ-UHFFFAOYSA-N -1 3 247.338 3.428 20 0 BGADHM CSCc1ccc([O-])c2nc(C)ccc12 ZINC000337771788 385776766 /nfs/dbraw/zinc/77/67/66/385776766.db2.gz VVMKJSPKIMIOJU-UHFFFAOYSA-N -1 3 219.309 3.112 20 0 BGADHM CC1(CC(=O)Nc2ncccc2[O-])CCCCC1 ZINC000338118732 168017635 /nfs/dbraw/zinc/01/76/35/168017635.db2.gz MSJVWJZVWAOIFW-UHFFFAOYSA-N -1 3 248.326 3.086 20 0 BGADHM C[C@@H](C(=O)Nc1ccc(Cl)cc1[O-])C1CC1 ZINC000339007594 386205397 /nfs/dbraw/zinc/20/53/97/386205397.db2.gz HETKIWLSQMOLTN-SSDOTTSWSA-N -1 3 239.702 3.030 20 0 BGADHM C[C@H](C(=O)Nc1ccc(Cl)cc1[O-])C1CC1 ZINC000339007596 386203497 /nfs/dbraw/zinc/20/34/97/386203497.db2.gz HETKIWLSQMOLTN-ZETCQYMHSA-N -1 3 239.702 3.030 20 0 BGADHM Cc1ccc(C=Cc2nc(C)cc(=O)[n-]2)c(C)c1 ZINC000339115173 178357454 /nfs/dbraw/zinc/35/74/54/178357454.db2.gz LRSAEAQOPIBFAO-SREVYHEPSA-N -1 3 240.306 3.278 20 0 BGADHM Cc1ccc(C=Cc2nc(C)cc(=O)[n-]2)c(C)c1 ZINC000339115179 178355659 /nfs/dbraw/zinc/35/56/59/178355659.db2.gz LRSAEAQOPIBFAO-VOTSOKGWSA-N -1 3 240.306 3.278 20 0 BGADHM Cc1ccc(C)c(C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000339115535 386256074 /nfs/dbraw/zinc/25/60/74/386256074.db2.gz DFNQHXPQVIWSLQ-SREVYHEPSA-N -1 3 240.306 3.278 20 0 BGADHM Cc1ccc(C)c(C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000339115536 386255947 /nfs/dbraw/zinc/25/59/47/386255947.db2.gz DFNQHXPQVIWSLQ-VOTSOKGWSA-N -1 3 240.306 3.278 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2Cl)n1 ZINC000339115686 386256303 /nfs/dbraw/zinc/25/63/03/386256303.db2.gz QUCZOYBWZOXWIO-SREVYHEPSA-N -1 3 246.697 3.314 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2ccccc2Cl)n1 ZINC000339115688 386256204 /nfs/dbraw/zinc/25/62/04/386256204.db2.gz QUCZOYBWZOXWIO-VOTSOKGWSA-N -1 3 246.697 3.314 20 0 BGADHM Cc1ccc(C=Cc2nc(C)cc(=O)[n-]2)s1 ZINC000339117393 188190357 /nfs/dbraw/zinc/19/03/57/188190357.db2.gz SIFMLEHFZYZYIX-AATRIKPKSA-N -1 3 232.308 3.031 20 0 BGADHM Cc1ccc(C=Cc2nc(C)cc(=O)[n-]2)s1 ZINC000339117394 188366866 /nfs/dbraw/zinc/36/68/66/188366866.db2.gz SIFMLEHFZYZYIX-WAYWQWQTSA-N -1 3 232.308 3.031 20 0 BGADHM Cc1cccnc1NCc1cccc([O-])c1Cl ZINC000339187740 386282565 /nfs/dbraw/zinc/28/25/65/386282565.db2.gz ZFMJRKBIAOHAIC-UHFFFAOYSA-N -1 3 248.713 3.361 20 0 BGADHM Cc1ccnc(NCc2cccc([O-])c2Cl)c1 ZINC000339189382 386290749 /nfs/dbraw/zinc/29/07/49/386290749.db2.gz ODENVZAVBYOHHO-UHFFFAOYSA-N -1 3 248.713 3.361 20 0 BGADHM Cc1ccc(NCc2cccc([O-])c2Cl)nc1 ZINC000339190035 386290174 /nfs/dbraw/zinc/29/01/74/386290174.db2.gz WAXOUWLAGUEJSC-UHFFFAOYSA-N -1 3 248.713 3.361 20 0 BGADHM Cc1cccc(NCc2cccc([O-])c2Cl)n1 ZINC000339190362 179150657 /nfs/dbraw/zinc/15/06/57/179150657.db2.gz YSIFCIJBFINWGQ-UHFFFAOYSA-N -1 3 248.713 3.361 20 0 BGADHM CC1(CCNCc2cccc([O-])c2Cl)CC1 ZINC000339377464 168020064 /nfs/dbraw/zinc/02/00/64/168020064.db2.gz JXMRKTAPAWYIEX-UHFFFAOYSA-N -1 3 239.746 3.325 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2CC23CCCC3)c([O-])c1 ZINC000340032355 385688480 /nfs/dbraw/zinc/68/84/80/385688480.db2.gz JVJAKBIKQPHKAU-LLVKDONJSA-N -1 3 245.322 3.219 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CC23CCCC3)c([O-])c1 ZINC000340032359 385688316 /nfs/dbraw/zinc/68/83/16/385688316.db2.gz JVJAKBIKQPHKAU-NSHDSACASA-N -1 3 245.322 3.219 20 0 BGADHM O=C(Nc1ccccc1[O-])[C@H]1CC12CCCCC2 ZINC000340101302 182379994 /nfs/dbraw/zinc/37/99/94/182379994.db2.gz FQSGAGURTIYESV-LLVKDONJSA-N -1 3 245.322 3.301 20 0 BGADHM O=C(Nc1ccccc1[O-])[C@@H]1CC12CCCCC2 ZINC000340101313 182380507 /nfs/dbraw/zinc/38/05/07/182380507.db2.gz FQSGAGURTIYESV-NSHDSACASA-N -1 3 245.322 3.301 20 0 BGADHM CCCC1(C(=O)Nc2ccccc2[O-])CCC1 ZINC000340102637 168593793 /nfs/dbraw/zinc/59/37/93/168593793.db2.gz PGPXVVQWJCMMCB-UHFFFAOYSA-N -1 3 233.311 3.301 20 0 BGADHM Cc1cc(F)cc(C(=O)Nc2ccccc2[O-])c1 ZINC000340118783 178076657 /nfs/dbraw/zinc/07/66/57/178076657.db2.gz PDSNPXJAPDJVMQ-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM CCCC1(C(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000340312417 386284928 /nfs/dbraw/zinc/28/49/28/386284928.db2.gz KMDLVNJZNGALKK-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM CC(C)(C)CCC(=O)Nc1cc(F)ccc1[O-] ZINC000340312896 386283442 /nfs/dbraw/zinc/28/34/42/386283442.db2.gz ANAMLYUGSWWJNF-UHFFFAOYSA-N -1 3 239.290 3.296 20 0 BGADHM CCC(C)(C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000340315565 168274057 /nfs/dbraw/zinc/27/40/57/168274057.db2.gz HAAJTKMUMKFQDZ-UHFFFAOYSA-N -1 3 239.290 3.296 20 0 BGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CC12CCCC2 ZINC000340330819 182350447 /nfs/dbraw/zinc/35/04/47/182350447.db2.gz UOFOHKBYXAWDFP-JTQLQIEISA-N -1 3 249.285 3.050 20 0 BGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CC12CCCC2 ZINC000340330821 182350346 /nfs/dbraw/zinc/35/03/46/182350346.db2.gz UOFOHKBYXAWDFP-SNVBAGLBSA-N -1 3 249.285 3.050 20 0 BGADHM CCCCCSCc1nc(CC)cc(=O)[n-]1 ZINC000340840676 386785059 /nfs/dbraw/zinc/78/50/59/386785059.db2.gz JUHWETMTPCFTHE-UHFFFAOYSA-N -1 3 240.372 3.168 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C)c([O-])c1 ZINC000341681933 386942068 /nfs/dbraw/zinc/94/20/68/386942068.db2.gz CCOIJRPRLLQLSJ-NEPJUHHUSA-N -1 3 245.322 3.241 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C)c([O-])c1 ZINC000341681934 386942176 /nfs/dbraw/zinc/94/21/76/386942176.db2.gz CCOIJRPRLLQLSJ-NWDGAFQWSA-N -1 3 245.322 3.241 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C)c([O-])c1 ZINC000341681935 386942164 /nfs/dbraw/zinc/94/21/64/386942164.db2.gz CCOIJRPRLLQLSJ-RYUDHWBXSA-N -1 3 245.322 3.241 20 0 BGADHM O=C(CC1CCCCCC1)Nc1ncccc1[O-] ZINC000341884765 386983617 /nfs/dbraw/zinc/98/36/17/386983617.db2.gz HKKRECXJAMSTON-UHFFFAOYSA-N -1 3 248.326 3.086 20 0 BGADHM O=C(CCCC1CCCC1)Nc1ncccc1[O-] ZINC000341892047 386996075 /nfs/dbraw/zinc/99/60/75/386996075.db2.gz SRENLSJXVONFGT-UHFFFAOYSA-N -1 3 248.326 3.086 20 0 BGADHM CC1(C(=O)Nc2ncccc2[O-])CCCCCC1 ZINC000341892701 167875294 /nfs/dbraw/zinc/87/52/94/167875294.db2.gz UVSMBGBSTCHVCC-UHFFFAOYSA-N -1 3 248.326 3.086 20 0 BGADHM CCCc1occc1C(=O)Nc1ccccc1[O-] ZINC000342569709 535575339 /nfs/dbraw/zinc/57/53/39/535575339.db2.gz NSVOPRRPSZKXMB-UHFFFAOYSA-N -1 3 245.278 3.190 20 0 BGADHM Cc1csc(C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000344631034 179766442 /nfs/dbraw/zinc/76/64/42/179766442.db2.gz NVUDIYGRYMOXNQ-UHFFFAOYSA-N -1 3 247.319 3.323 20 0 BGADHM Cc1ccc(NC(=O)C23CCC(CC2)C3)c([O-])c1 ZINC000344676614 354343803 /nfs/dbraw/zinc/34/38/03/354343803.db2.gz GWQLATWGIFLESX-UHFFFAOYSA-N -1 3 245.322 3.219 20 0 BGADHM Cc1cccc([O-])c1NC(=O)CC1CC(C)(C)C1 ZINC000344969269 354385789 /nfs/dbraw/zinc/38/57/89/354385789.db2.gz OIJZOUKDFOXPOH-UHFFFAOYSA-N -1 3 247.338 3.465 20 0 BGADHM O=C(Nc1cc(F)ccc1[O-])C12CCC(CC1)C2 ZINC000345174528 386042291 /nfs/dbraw/zinc/04/22/91/386042291.db2.gz ZIIOREBMHFSPFN-UHFFFAOYSA-N -1 3 249.285 3.050 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CC[C@H](C)C2)c([O-])c1 ZINC000345266199 386086847 /nfs/dbraw/zinc/08/68/47/386086847.db2.gz NDEHNGBZANPWOB-GXSJLCMTSA-N -1 3 233.311 3.075 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000345266201 386086387 /nfs/dbraw/zinc/08/63/87/386086387.db2.gz NDEHNGBZANPWOB-KOLCDFICSA-N -1 3 233.311 3.075 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C)C2)c([O-])c1 ZINC000345266202 386087165 /nfs/dbraw/zinc/08/71/65/386087165.db2.gz NDEHNGBZANPWOB-MWLCHTKSSA-N -1 3 233.311 3.075 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2CC[C@H](C)C2)c([O-])c1 ZINC000345266204 386086273 /nfs/dbraw/zinc/08/62/73/386086273.db2.gz NDEHNGBZANPWOB-ONGXEEELSA-N -1 3 233.311 3.075 20 0 BGADHM Cc1ccc([O-])c(NC(=O)CC2CCCCC2)n1 ZINC000345918409 354826116 /nfs/dbraw/zinc/82/61/16/354826116.db2.gz AECGYLOLVUQSEI-UHFFFAOYSA-N -1 3 248.326 3.005 20 0 BGADHM Cc1ccc([O-])c(NC(=O)CCC2CCCC2)n1 ZINC000345938936 354814319 /nfs/dbraw/zinc/81/43/19/354814319.db2.gz XWHCBCMXPXUZMS-UHFFFAOYSA-N -1 3 248.326 3.005 20 0 BGADHM Cc1ccc([O-])c(NC(=O)C2CCCCCC2)n1 ZINC000345940235 354814266 /nfs/dbraw/zinc/81/42/66/354814266.db2.gz ZTXRRGPOWXXESD-UHFFFAOYSA-N -1 3 248.326 3.005 20 0 BGADHM CC(C)(C)CCC[S@](=O)c1ccc([O-])cc1 ZINC000346374390 354903218 /nfs/dbraw/zinc/90/32/18/354903218.db2.gz KGQBJCNJPGDEMT-INIZCTEOSA-N -1 3 240.368 3.326 20 0 BGADHM CC(C)(C)CCC[S@@](=O)c1ccc([O-])cc1 ZINC000346374403 354904173 /nfs/dbraw/zinc/90/41/73/354904173.db2.gz KGQBJCNJPGDEMT-MRXNPFEDSA-N -1 3 240.368 3.326 20 0 BGADHM CC1(CC(=O)Nc2ccccc2[O-])CCCC1 ZINC000347919775 535112856 /nfs/dbraw/zinc/11/28/56/535112856.db2.gz AAPRZWLFJPMGEO-UHFFFAOYSA-N -1 3 233.311 3.301 20 0 BGADHM Cc1ccc(NC(=O)C2CC(C)(C)C2)c([O-])c1 ZINC000348512249 136084347 /nfs/dbraw/zinc/08/43/47/136084347.db2.gz XZYJEFNUWYVEEA-UHFFFAOYSA-N -1 3 233.311 3.075 20 0 BGADHM [O-]c1cc(F)cc(-c2nc3cc(F)ccc3[nH]2)c1 ZINC000349005611 136315939 /nfs/dbraw/zinc/31/59/39/136315939.db2.gz CTMIZZGNBFOZCG-UHFFFAOYSA-N -1 3 246.216 3.214 20 0 BGADHM [O-]c1cc(F)cc(-c2nc3cnccc3s2)c1 ZINC000349007041 538057663 /nfs/dbraw/zinc/05/76/63/538057663.db2.gz FSGQVJHHILSDAQ-UHFFFAOYSA-N -1 3 246.266 3.203 20 0 BGADHM [O-]c1cc(F)cc(-c2nc3c(cccc3F)[nH]2)c1 ZINC000349017787 136312975 /nfs/dbraw/zinc/31/29/75/136312975.db2.gz XRPYHVVJYYOVEQ-UHFFFAOYSA-N -1 3 246.216 3.214 20 0 BGADHM CC[C@H](C)CCC(=O)Nc1ccc(C)cc1[O-] ZINC000349073033 136322399 /nfs/dbraw/zinc/32/23/99/136322399.db2.gz FJJRDESCEOOEJE-JTQLQIEISA-N -1 3 235.327 3.465 20 0 BGADHM CC[C@@H](C)CCC(=O)Nc1ccc(C)cc1[O-] ZINC000349073037 535487018 /nfs/dbraw/zinc/48/70/18/535487018.db2.gz FJJRDESCEOOEJE-SNVBAGLBSA-N -1 3 235.327 3.465 20 0 BGADHM Cc1cc(C)nc(NCc2cc([O-])cc(F)c2)c1 ZINC000349629842 386895361 /nfs/dbraw/zinc/89/53/61/386895361.db2.gz KVTDPQPKAAHHDV-UHFFFAOYSA-N -1 3 246.285 3.155 20 0 BGADHM Cc1cc(C)nc(NCc2cc(O)cc(F)c2)c1 ZINC000349629842 386895360 /nfs/dbraw/zinc/89/53/60/386895360.db2.gz KVTDPQPKAAHHDV-UHFFFAOYSA-N -1 3 246.285 3.155 20 0 BGADHM CCc1cccnc1NCc1cc([O-])cc(F)c1 ZINC000349698732 355413345 /nfs/dbraw/zinc/41/33/45/355413345.db2.gz GBSOEKBGEGHRCD-UHFFFAOYSA-N -1 3 246.285 3.101 20 0 BGADHM CN(Cc1cccc([O-])c1Cl)CC1CCC1 ZINC000350124508 355608741 /nfs/dbraw/zinc/60/87/41/355608741.db2.gz AASLVBPESUDOKN-UHFFFAOYSA-N -1 3 239.746 3.278 20 0 BGADHM CCCN(CCC)Cc1c(F)ccc([O-])c1F ZINC000350144168 355614134 /nfs/dbraw/zinc/61/41/34/355614134.db2.gz BZKOAZMPDGJLQL-UHFFFAOYSA-N -1 3 243.297 3.292 20 0 BGADHM [O-]c1ccc(F)c(CN2CCCCCC2)c1F ZINC000350147259 355615436 /nfs/dbraw/zinc/61/54/36/355615436.db2.gz OKPAICAKWHOPFC-UHFFFAOYSA-N -1 3 241.281 3.046 20 0 BGADHM Cc1noc(-c2cc3cc(Cl)sc3[n-]2)n1 ZINC000350398182 355697179 /nfs/dbraw/zinc/69/71/79/355697179.db2.gz KYTJQPTYACTGPB-UHFFFAOYSA-N -1 3 239.687 3.241 20 0 BGADHM CCC(C)(C)CC[S@](=O)c1cccc([O-])c1 ZINC000350518393 355716857 /nfs/dbraw/zinc/71/68/57/355716857.db2.gz ZXLDPXRHULYIBN-INIZCTEOSA-N -1 3 240.368 3.326 20 0 BGADHM CCC(C)(C)CC[S@@](=O)c1cccc([O-])c1 ZINC000350518394 355716735 /nfs/dbraw/zinc/71/67/35/355716735.db2.gz ZXLDPXRHULYIBN-MRXNPFEDSA-N -1 3 240.368 3.326 20 0 BGADHM CN(Cc1c(F)ccc([O-])c1F)CC(C)(C)C ZINC000350554121 136362011 /nfs/dbraw/zinc/36/20/11/136362011.db2.gz GKMIIFKOPJDRFI-UHFFFAOYSA-N -1 3 243.297 3.148 20 0 BGADHM CC[C@@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC000350664906 535820333 /nfs/dbraw/zinc/82/03/33/535820333.db2.gz YNZANWUENMGACO-SECBINFHSA-N -1 3 241.281 3.045 20 0 BGADHM CC[C@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC000350664907 536071161 /nfs/dbraw/zinc/07/11/61/536071161.db2.gz YNZANWUENMGACO-VIFPVBQESA-N -1 3 241.281 3.045 20 0 BGADHM Cc1ccc(-c2noc(-c3ccccc3[O-])n2)o1 ZINC000350809953 358143302 /nfs/dbraw/zinc/14/33/02/358143302.db2.gz UXZBWDRPVUSFII-UHFFFAOYSA-N -1 3 242.234 3.011 20 0 BGADHM CCN(Cc1c(F)ccc([O-])c1F)C1CCC1 ZINC000351640754 356040492 /nfs/dbraw/zinc/04/04/92/356040492.db2.gz JDDJBYJTVZGBNZ-UHFFFAOYSA-N -1 3 241.281 3.045 20 0 BGADHM CCN(Cc1cccc([O-])c1Cl)C1CCC1 ZINC000351642385 356041000 /nfs/dbraw/zinc/04/10/00/356041000.db2.gz URWYBRHEXBIZLX-UHFFFAOYSA-N -1 3 239.746 3.420 20 0 BGADHM C[C@@H]1CCN(Cc2cccc([O-])c2Cl)[C@@H]1C ZINC000351761476 176176664 /nfs/dbraw/zinc/17/66/64/176176664.db2.gz XUAIUSNLZHHMEW-NXEZZACHSA-N -1 3 239.746 3.276 20 0 BGADHM C[C@H]1CCN(Cc2cccc([O-])c2Cl)[C@H]1C ZINC000351761478 177165078 /nfs/dbraw/zinc/16/50/78/177165078.db2.gz XUAIUSNLZHHMEW-UWVGGRQHSA-N -1 3 239.746 3.276 20 0 BGADHM C[C@@H]1[C@@H](C)CCN1Cc1cccc([O-])c1Cl ZINC000351761480 177164943 /nfs/dbraw/zinc/16/49/43/177164943.db2.gz XUAIUSNLZHHMEW-VHSXEESVSA-N -1 3 239.746 3.276 20 0 BGADHM C[C@@H]1CCN(Cc2cccc([O-])c2Cl)[C@H]1C ZINC000351761482 388532508 /nfs/dbraw/zinc/53/25/08/388532508.db2.gz XUAIUSNLZHHMEW-ZJUUUORDSA-N -1 3 239.746 3.276 20 0 BGADHM C[C@@H]1CC[C@H](C)N1Cc1cccc([O-])c1Cl ZINC000351775200 356084954 /nfs/dbraw/zinc/08/49/54/356084954.db2.gz RTLPXIPRCCCHGY-AOOOYVTPSA-N -1 3 239.746 3.418 20 0 BGADHM C[C@@H]1CC[C@@H](C)N1Cc1cccc([O-])c1Cl ZINC000351775201 356085019 /nfs/dbraw/zinc/08/50/19/356085019.db2.gz RTLPXIPRCCCHGY-NXEZZACHSA-N -1 3 239.746 3.418 20 0 BGADHM C[C@H]1CC[C@H](C)N1Cc1cccc([O-])c1Cl ZINC000351775202 356085026 /nfs/dbraw/zinc/08/50/26/356085026.db2.gz RTLPXIPRCCCHGY-UWVGGRQHSA-N -1 3 239.746 3.418 20 0 BGADHM Cc1nsc([N-]c2csc3ccccc23)n1 ZINC000351875130 136261032 /nfs/dbraw/zinc/26/10/32/136261032.db2.gz HQZKSIQYYFHNKU-UHFFFAOYSA-N -1 3 247.348 3.227 20 0 BGADHM CC(C)[C@H]1CCN1Cc1cccc([O-])c1Cl ZINC000351971669 535202546 /nfs/dbraw/zinc/20/25/46/535202546.db2.gz DYGNHYOUEWTBFH-LLVKDONJSA-N -1 3 239.746 3.276 20 0 BGADHM CC(C)[C@@H]1CCN1Cc1cccc([O-])c1Cl ZINC000351971670 134025279 /nfs/dbraw/zinc/02/52/79/134025279.db2.gz DYGNHYOUEWTBFH-NSHDSACASA-N -1 3 239.746 3.276 20 0 BGADHM O=c1cc(C=Cc2ccccc2)nc(C2CC2)[n-]1 ZINC000352025714 134042640 /nfs/dbraw/zinc/04/26/40/134042640.db2.gz GRAVFZWLYHZBPK-TWGQIWQCSA-N -1 3 238.290 3.230 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)cc2C)n1 ZINC000352025999 134042532 /nfs/dbraw/zinc/04/25/32/134042532.db2.gz IAESWLUQOZRACT-GQCTYLIASA-N -1 3 244.269 3.109 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)cc2C)n1 ZINC000352026000 134042737 /nfs/dbraw/zinc/04/27/37/134042737.db2.gz IAESWLUQOZRACT-XQRVVYSFSA-N -1 3 244.269 3.109 20 0 BGADHM O=c1cc(C=Cc2ccsc2)nc(C2CC2)[n-]1 ZINC000352026526 134043422 /nfs/dbraw/zinc/04/34/22/134043422.db2.gz KGXJJZHQWSHMDI-DAFODLJHSA-N -1 3 244.319 3.292 20 0 BGADHM O=c1cc(C=Cc2ccsc2)nc(C2CC2)[n-]1 ZINC000352026527 134043430 /nfs/dbraw/zinc/04/34/30/134043430.db2.gz KGXJJZHQWSHMDI-RJRFIUFISA-N -1 3 244.319 3.292 20 0 BGADHM Cc1ccsc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000352027207 134043959 /nfs/dbraw/zinc/04/39/59/134043959.db2.gz NDKWKTFKCIBDCR-ARJAWSKDSA-N -1 3 232.308 3.031 20 0 BGADHM Cc1ccsc1C=Cc1nc(C)cc(=O)[n-]1 ZINC000352027209 134043767 /nfs/dbraw/zinc/04/37/67/134043767.db2.gz NDKWKTFKCIBDCR-ONEGZZNKSA-N -1 3 232.308 3.031 20 0 BGADHM O=c1cc(C=Cc2cccs2)nc(C2CC2)[n-]1 ZINC000352027557 134044175 /nfs/dbraw/zinc/04/41/75/134044175.db2.gz PRBGRJRFDXYMRX-AATRIKPKSA-N -1 3 244.319 3.292 20 0 BGADHM O=c1cc(C=Cc2cccs2)nc(C2CC2)[n-]1 ZINC000352027559 134044173 /nfs/dbraw/zinc/04/41/73/134044173.db2.gz PRBGRJRFDXYMRX-WAYWQWQTSA-N -1 3 244.319 3.292 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(C)c(F)c2)n1 ZINC000352028502 134044025 /nfs/dbraw/zinc/04/40/25/134044025.db2.gz UVOLINALUCDHAZ-AATRIKPKSA-N -1 3 244.269 3.109 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(C)c(F)c2)n1 ZINC000352028503 134044075 /nfs/dbraw/zinc/04/40/75/134044075.db2.gz UVOLINALUCDHAZ-WAYWQWQTSA-N -1 3 244.269 3.109 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)c(C)c2)n1 ZINC000352035200 134045276 /nfs/dbraw/zinc/04/52/76/134045276.db2.gz NJHIUXWPTRSNTG-GQCTYLIASA-N -1 3 244.269 3.109 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(F)c(C)c2)n1 ZINC000352035201 134044856 /nfs/dbraw/zinc/04/48/56/134044856.db2.gz NJHIUXWPTRSNTG-XQRVVYSFSA-N -1 3 244.269 3.109 20 0 BGADHM Cc1ccc(F)c(C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000352035366 134044727 /nfs/dbraw/zinc/04/47/27/134044727.db2.gz PUUJXWALLJZTGN-GQCTYLIASA-N -1 3 244.269 3.109 20 0 BGADHM Cc1ccc(F)c(C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000352035367 134044867 /nfs/dbraw/zinc/04/48/67/134044867.db2.gz PUUJXWALLJZTGN-XQRVVYSFSA-N -1 3 244.269 3.109 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2c(C)cccc2C)n1 ZINC000352035593 134045535 /nfs/dbraw/zinc/04/55/35/134045535.db2.gz RVHKPESUNFFWBV-BQYQJAHWSA-N -1 3 240.306 3.278 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2c(C)cccc2C)n1 ZINC000352035594 134045363 /nfs/dbraw/zinc/04/53/63/134045363.db2.gz RVHKPESUNFFWBV-FPLPWBNLSA-N -1 3 240.306 3.278 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2cccc(C)c2C)n1 ZINC000352039656 134045458 /nfs/dbraw/zinc/04/54/58/134045458.db2.gz IFEUMQZELAPHCI-BQYQJAHWSA-N -1 3 240.306 3.278 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2cccc(C)c2C)n1 ZINC000352039657 134045739 /nfs/dbraw/zinc/04/57/39/134045739.db2.gz IFEUMQZELAPHCI-FPLPWBNLSA-N -1 3 240.306 3.278 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2cc(F)ccc2C)n1 ZINC000352040359 134033809 /nfs/dbraw/zinc/03/38/09/134033809.db2.gz OJJSWKXUKZSKTA-GQCTYLIASA-N -1 3 244.269 3.109 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2cc(F)ccc2C)n1 ZINC000352040360 134033863 /nfs/dbraw/zinc/03/38/63/134033863.db2.gz OJJSWKXUKZSKTA-XQRVVYSFSA-N -1 3 244.269 3.109 20 0 BGADHM CC(C)CCCNCc1c(F)ccc([O-])c1F ZINC000352086513 134060884 /nfs/dbraw/zinc/06/08/84/134060884.db2.gz DFAVVDURIOMFJG-UHFFFAOYSA-N -1 3 243.297 3.196 20 0 BGADHM CC(C)(C)CCNCc1c(F)ccc([O-])c1F ZINC000352091103 134061448 /nfs/dbraw/zinc/06/14/48/134061448.db2.gz GZGKWKBGDVRHFD-UHFFFAOYSA-N -1 3 243.297 3.196 20 0 BGADHM C[C@@H]1C[C@@H]1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000352913719 176390707 /nfs/dbraw/zinc/39/07/07/176390707.db2.gz LLNZGROEMXAASO-HTQZYQBOSA-N -1 3 239.702 3.030 20 0 BGADHM C[C@H]1C[C@@H]1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000352913721 177342565 /nfs/dbraw/zinc/34/25/65/177342565.db2.gz LLNZGROEMXAASO-JGVFFNPUSA-N -1 3 239.702 3.030 20 0 BGADHM C[C@@H]1C[C@H]1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000352913722 386966539 /nfs/dbraw/zinc/96/65/39/386966539.db2.gz LLNZGROEMXAASO-SFYZADRCSA-N -1 3 239.702 3.030 20 0 BGADHM C[C@H]1C[C@H]1CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000352913724 177378509 /nfs/dbraw/zinc/37/85/09/177378509.db2.gz LLNZGROEMXAASO-YUMQZZPRSA-N -1 3 239.702 3.030 20 0 BGADHM CC(C)=CCCNCc1c(F)ccc([O-])c1F ZINC000353169975 387148996 /nfs/dbraw/zinc/14/89/96/387148996.db2.gz PYIRESHGOBSAMU-UHFFFAOYSA-N -1 3 241.281 3.116 20 0 BGADHM CCC(C)(C)CNCc1c(F)ccc([O-])c1F ZINC000353208932 168282156 /nfs/dbraw/zinc/28/21/56/168282156.db2.gz XPDBQVAHIUJGBS-UHFFFAOYSA-N -1 3 243.297 3.196 20 0 BGADHM CN(Cc1cccc([O-])c1Cl)[C@@H]1CC1(C)C ZINC000353234467 387164284 /nfs/dbraw/zinc/16/42/84/387164284.db2.gz PJGFNKVCILVBIY-LLVKDONJSA-N -1 3 239.746 3.276 20 0 BGADHM CN(Cc1cccc([O-])c1Cl)[C@H]1CC1(C)C ZINC000353234468 387163806 /nfs/dbraw/zinc/16/38/06/387163806.db2.gz PJGFNKVCILVBIY-NSHDSACASA-N -1 3 239.746 3.276 20 0 BGADHM C[C@H]1CC=CC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000354521193 177068926 /nfs/dbraw/zinc/06/89/26/177068926.db2.gz MNEPBIUKELNIIK-GXSJLCMTSA-N -1 3 249.285 3.072 20 0 BGADHM C[C@@H]1CC=CC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000354521194 176058669 /nfs/dbraw/zinc/05/86/69/176058669.db2.gz MNEPBIUKELNIIK-KOLCDFICSA-N -1 3 249.285 3.072 20 0 BGADHM C[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000354521195 387388446 /nfs/dbraw/zinc/38/84/46/387388446.db2.gz MNEPBIUKELNIIK-ONGXEEELSA-N -1 3 249.285 3.072 20 0 BGADHM CC[C@@H](C)CCC(=O)Nc1cc(F)ccc1[O-] ZINC000354524583 387390261 /nfs/dbraw/zinc/39/02/61/387390261.db2.gz XMUKLLORCDMHDV-SECBINFHSA-N -1 3 239.290 3.296 20 0 BGADHM CC[C@H](C)CCC(=O)Nc1cc(F)ccc1[O-] ZINC000354524584 171268545 /nfs/dbraw/zinc/26/85/45/171268545.db2.gz XMUKLLORCDMHDV-VIFPVBQESA-N -1 3 239.290 3.296 20 0 BGADHM CC[C@@H](C)CCC(=O)Nc1ccc([O-])cc1F ZINC000354652257 387411954 /nfs/dbraw/zinc/41/19/54/387411954.db2.gz SCEISQYUAURJJE-SECBINFHSA-N -1 3 239.290 3.296 20 0 BGADHM CC[C@H](C)CCC(=O)Nc1ccc([O-])cc1F ZINC000354652258 171268627 /nfs/dbraw/zinc/26/86/27/171268627.db2.gz SCEISQYUAURJJE-VIFPVBQESA-N -1 3 239.290 3.296 20 0 BGADHM [O-]c1cc(F)cc(CN2CCCC3(CCC3)C2)c1 ZINC000355196089 183258579 /nfs/dbraw/zinc/25/85/79/183258579.db2.gz HGORSASLRJNSDD-UHFFFAOYSA-N -1 3 249.329 3.297 20 0 BGADHM C[C@@H]1C[C@@H]1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000355389806 176391163 /nfs/dbraw/zinc/39/11/63/176391163.db2.gz VSRHCTNXQCJQQT-HTQZYQBOSA-N -1 3 239.702 3.030 20 0 BGADHM C[C@H]1C[C@@H]1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000355389807 177342378 /nfs/dbraw/zinc/34/23/78/177342378.db2.gz VSRHCTNXQCJQQT-JGVFFNPUSA-N -1 3 239.702 3.030 20 0 BGADHM C[C@@H]1C[C@H]1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000355389808 387530047 /nfs/dbraw/zinc/53/00/47/387530047.db2.gz VSRHCTNXQCJQQT-SFYZADRCSA-N -1 3 239.702 3.030 20 0 BGADHM C[C@H]1C[C@H]1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000355389809 177378458 /nfs/dbraw/zinc/37/84/58/177378458.db2.gz VSRHCTNXQCJQQT-YUMQZZPRSA-N -1 3 239.702 3.030 20 0 BGADHM O=C(CCCC(F)(F)F)Nc1ccccc1[O-] ZINC000356155173 387623400 /nfs/dbraw/zinc/62/34/00/387623400.db2.gz TXKYROIPSRSVKK-UHFFFAOYSA-N -1 3 247.216 3.063 20 0 BGADHM CC1(C)CN(Cc2cc([O-])cc(F)c2)[C@H]1C1CC1 ZINC000356286995 356792627 /nfs/dbraw/zinc/79/26/27/356792627.db2.gz SVAKJDUCZBNCTN-AWEZNQCLSA-N -1 3 249.329 3.152 20 0 BGADHM CC1(C)CN(Cc2cc([O-])cc(F)c2)[C@@H]1C1CC1 ZINC000356286996 356792346 /nfs/dbraw/zinc/79/23/46/356792346.db2.gz SVAKJDUCZBNCTN-CQSZACIVSA-N -1 3 249.329 3.152 20 0 BGADHM Cc1nsc([N-]c2cccc3ccsc32)n1 ZINC000356874389 387738651 /nfs/dbraw/zinc/73/86/51/387738651.db2.gz YIGRJBWKPDAMGY-UHFFFAOYSA-N -1 3 247.348 3.227 20 0 BGADHM CC(C)C[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000357335641 388552639 /nfs/dbraw/zinc/55/26/39/388552639.db2.gz KFXKRFLMAXTTPL-CYBMUJFWSA-N -1 3 247.338 3.043 20 0 BGADHM CC(C)C[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000357335642 388552279 /nfs/dbraw/zinc/55/22/79/388552279.db2.gz KFXKRFLMAXTTPL-ZDUSSCGKSA-N -1 3 247.338 3.043 20 0 BGADHM CCc1cc(=O)[n-]c(CSCCC(C)C)n1 ZINC000357341833 386764201 /nfs/dbraw/zinc/76/42/01/386764201.db2.gz IELRNLAAFNIAPE-UHFFFAOYSA-N -1 3 240.372 3.024 20 0 BGADHM CCC(CC)(CC)CNC(=O)c1cccc([O-])c1 ZINC000357409468 168315047 /nfs/dbraw/zinc/31/50/47/168315047.db2.gz ZSGPNJARQCAKRO-UHFFFAOYSA-N -1 3 249.354 3.338 20 0 BGADHM CC(C)(C)CCCCNC(=O)c1cccc([O-])c1 ZINC000357444162 386784635 /nfs/dbraw/zinc/78/46/35/386784635.db2.gz SXHCXXHGYFPHQV-UHFFFAOYSA-N -1 3 249.354 3.338 20 0 BGADHM CCc1cc(=O)[n-]c(CSC[C@H](C)CC)n1 ZINC000357564654 487770064 /nfs/dbraw/zinc/77/00/64/487770064.db2.gz WZDBIPOCQPGNJS-SECBINFHSA-N -1 3 240.372 3.024 20 0 BGADHM CCc1cc(=O)[n-]c(CSC[C@@H](C)CC)n1 ZINC000357564657 487770005 /nfs/dbraw/zinc/77/00/05/487770005.db2.gz WZDBIPOCQPGNJS-VIFPVBQESA-N -1 3 240.372 3.024 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CCC(C)(C)C2)c([O-])c1 ZINC000358899914 387029309 /nfs/dbraw/zinc/02/93/09/387029309.db2.gz JJNRBUITMXWLQH-LLVKDONJSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2CCC(C)(C)C2)c([O-])c1 ZINC000358899915 387029235 /nfs/dbraw/zinc/02/92/35/387029235.db2.gz JJNRBUITMXWLQH-NSHDSACASA-N -1 3 247.338 3.465 20 0 BGADHM CC1(C)CC[C@H](C(=O)Nc2ccccc2[O-])C1 ZINC000359161438 387062247 /nfs/dbraw/zinc/06/22/47/387062247.db2.gz CQGUBNUHPZZNCQ-JTQLQIEISA-N -1 3 233.311 3.157 20 0 BGADHM CC1(C)CC[C@@H](C(=O)Nc2ccccc2[O-])C1 ZINC000359161440 387062462 /nfs/dbraw/zinc/06/24/62/387062462.db2.gz CQGUBNUHPZZNCQ-SNVBAGLBSA-N -1 3 233.311 3.157 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000359562496 179161213 /nfs/dbraw/zinc/16/12/13/179161213.db2.gz KUCMIHVAKLTDJD-LLVKDONJSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000359562497 179161066 /nfs/dbraw/zinc/16/10/66/179161066.db2.gz KUCMIHVAKLTDJD-NSHDSACASA-N -1 3 247.338 3.465 20 0 BGADHM CCC1(C(=O)Nc2ncccc2[O-])CCCCC1 ZINC000359720093 387154137 /nfs/dbraw/zinc/15/41/37/387154137.db2.gz RSEGWZZCFTWQEI-UHFFFAOYSA-N -1 3 248.326 3.086 20 0 BGADHM CCC(C)(C)CC(=O)Nc1ccc([O-])cc1F ZINC000360861368 168274968 /nfs/dbraw/zinc/27/49/68/168274968.db2.gz TVJLXVLMAJUJTG-UHFFFAOYSA-N -1 3 239.290 3.296 20 0 BGADHM CC1=C(C)CN(Cc2cc([O-])cc(F)c2)CC1 ZINC000361115879 168083731 /nfs/dbraw/zinc/08/37/31/168083731.db2.gz YSRSOWQRXOVGHV-UHFFFAOYSA-N -1 3 235.302 3.073 20 0 BGADHM CC(C)C[C@@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000361343782 188243706 /nfs/dbraw/zinc/24/37/06/188243706.db2.gz KKKYKERAUUBOFE-SECBINFHSA-N -1 3 239.290 3.152 20 0 BGADHM CC(C)C[C@H](C)C(=O)Nc1ccc([O-])cc1F ZINC000361343783 387441516 /nfs/dbraw/zinc/44/15/16/387441516.db2.gz KKKYKERAUUBOFE-VIFPVBQESA-N -1 3 239.290 3.152 20 0 BGADHM CCC(C)(C)CC[S@](=O)c1ccc([O-])cc1 ZINC000361724080 168277396 /nfs/dbraw/zinc/27/73/96/168277396.db2.gz CKZZJNUWCFJFFP-INIZCTEOSA-N -1 3 240.368 3.326 20 0 BGADHM CCC(C)(C)CC[S@@](=O)c1ccc([O-])cc1 ZINC000361724085 168278056 /nfs/dbraw/zinc/27/80/56/168278056.db2.gz CKZZJNUWCFJFFP-MRXNPFEDSA-N -1 3 240.368 3.326 20 0 BGADHM CCc1cc(C(=O)Nc2ccsc2)ccc1[O-] ZINC000362811802 387661716 /nfs/dbraw/zinc/66/17/16/387661716.db2.gz FBWUBALDBXJBJR-UHFFFAOYSA-N -1 3 247.319 3.268 20 0 BGADHM C[C@@H](NCc1cccc([O-])c1Cl)C1CCC1 ZINC000378672228 388482695 /nfs/dbraw/zinc/48/26/95/388482695.db2.gz LCZJNMWPQAVFMK-SECBINFHSA-N -1 3 239.746 3.324 20 0 BGADHM CC(C)=CCCNCc1cccc([O-])c1Cl ZINC000378853666 388522012 /nfs/dbraw/zinc/52/20/12/388522012.db2.gz IBFUDUIYCLYLHN-UHFFFAOYSA-N -1 3 239.746 3.492 20 0 BGADHM CC(C)O[N-]C(=O)CCCC1CCCCC1 ZINC000379008524 712367760 /nfs/dbraw/zinc/36/77/60/712367760.db2.gz JDVQUGVYPSCADK-UHFFFAOYSA-N -1 3 227.348 3.193 20 0 BGADHM CCCCc1ccc(CC(=O)[N-]OC(C)C)cc1 ZINC000379027495 712367868 /nfs/dbraw/zinc/36/78/68/712367868.db2.gz VKHUAUXUKOSHKS-UHFFFAOYSA-N -1 3 249.354 3.028 20 0 BGADHM CC(C)(C)CN=c1[n-]c(C(F)(F)F)cs1 ZINC000380168817 346721069 /nfs/dbraw/zinc/72/10/69/346721069.db2.gz DAHDBZJOTCNZQX-UHFFFAOYSA-N -1 3 238.278 3.042 20 0 BGADHM Cc1cc(C(=O)Nc2ccc(C)cc2[O-])cs1 ZINC000381161919 584955074 /nfs/dbraw/zinc/95/50/74/584955074.db2.gz NXIQTZRHEGAQJD-UHFFFAOYSA-N -1 3 247.319 3.323 20 0 BGADHM Cc1cccc(C(=O)NC(C)(C)C(C)(C)C)c1[O-] ZINC000381322960 367381651 /nfs/dbraw/zinc/38/16/51/367381651.db2.gz GMPSGAVOQDBSKE-UHFFFAOYSA-N -1 3 249.354 3.255 20 0 BGADHM CC(C)(C)C(C)(C)C(=O)[N-]OC1CCCC1 ZINC000381613435 712396219 /nfs/dbraw/zinc/39/62/19/712396219.db2.gz UAZZMRDKVYOMNO-UHFFFAOYSA-N -1 3 227.348 3.049 20 0 BGADHM CN(Cc1cccc([O-])c1Cl)C(C)(C)C ZINC000381945397 398255205 /nfs/dbraw/zinc/25/52/05/398255205.db2.gz YOJQORQTZAFGAA-UHFFFAOYSA-N -1 3 227.735 3.276 20 0 BGADHM [O-]c1cccc(CNC2CCCCC2)c1Cl ZINC000382054763 347116040 /nfs/dbraw/zinc/11/60/40/347116040.db2.gz NYCWDUJORWOAMB-UHFFFAOYSA-N -1 3 239.746 3.468 20 0 BGADHM C[C@H](NCc1cccc([O-])c1Cl)C1CCC1 ZINC000382211053 397921318 /nfs/dbraw/zinc/92/13/18/397921318.db2.gz LCZJNMWPQAVFMK-VIFPVBQESA-N -1 3 239.746 3.324 20 0 BGADHM [O-]c1cccc(CNCCCC2CC2)c1Cl ZINC000382394908 397945576 /nfs/dbraw/zinc/94/55/76/397945576.db2.gz YQCTXYWTVMJWGR-UHFFFAOYSA-N -1 3 239.746 3.325 20 0 BGADHM CCC1(NC(=O)c2ccc(C)cc2[O-])CCCC1 ZINC000382538812 367534136 /nfs/dbraw/zinc/53/41/36/367534136.db2.gz ACTNCJIAZMQZOQ-UHFFFAOYSA-N -1 3 247.338 3.153 20 0 BGADHM CCC1(NC(=O)c2cccc(C)c2[O-])CCCC1 ZINC000382556997 367538558 /nfs/dbraw/zinc/53/85/58/367538558.db2.gz IXFUFZYKNHBYEM-UHFFFAOYSA-N -1 3 247.338 3.153 20 0 BGADHM CCC1(NC(=O)c2ccc([O-])c(C)c2)CCCC1 ZINC000382561760 367540140 /nfs/dbraw/zinc/54/01/40/367540140.db2.gz LMDRRJIUWFSAQI-UHFFFAOYSA-N -1 3 247.338 3.153 20 0 BGADHM CC[C@H](NC(=O)c1cccc([O-])c1)C1CCCC1 ZINC000382865277 367564985 /nfs/dbraw/zinc/56/49/85/367564985.db2.gz LPXARRYCMOQZLO-AWEZNQCLSA-N -1 3 247.338 3.091 20 0 BGADHM CC[C@@H](NC(=O)c1cccc([O-])c1)C1CCCC1 ZINC000382865279 367565266 /nfs/dbraw/zinc/56/52/66/367565266.db2.gz LPXARRYCMOQZLO-CQSZACIVSA-N -1 3 247.338 3.091 20 0 BGADHM CC/C=C\CNCc1cccc([O-])c1Cl ZINC000384854697 367744456 /nfs/dbraw/zinc/74/44/56/367744456.db2.gz LOYQTEYDSFYRSN-ARJAWSKDSA-N -1 3 225.719 3.101 20 0 BGADHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cccc([O-])c2)C1 ZINC000385341324 352555717 /nfs/dbraw/zinc/55/57/17/352555717.db2.gz XFEHDRSPDPVAPG-VXGBXAGGSA-N -1 3 247.338 3.043 20 0 BGADHM CCN(CC(C)(C)C)C(=O)c1ccc([O-])c(C)c1 ZINC000386059394 367906999 /nfs/dbraw/zinc/90/69/99/367906999.db2.gz DESCDQLESGUUPW-UHFFFAOYSA-N -1 3 249.354 3.209 20 0 BGADHM C[C@H](CCC(C)(C)C)NC(=O)c1ccccc1[O-] ZINC000386273651 367943852 /nfs/dbraw/zinc/94/38/52/367943852.db2.gz PKPOZNLPWVUCER-LLVKDONJSA-N -1 3 249.354 3.337 20 0 BGADHM C[C@@H](CCC(C)(C)C)NC(=O)c1ccccc1[O-] ZINC000386273656 367943919 /nfs/dbraw/zinc/94/39/19/367943919.db2.gz PKPOZNLPWVUCER-NSHDSACASA-N -1 3 249.354 3.337 20 0 BGADHM CC(C)N(Cc1ccc([O-])c(F)c1)CC(F)F ZINC000386822927 711036894 /nfs/dbraw/zinc/03/68/94/711036894.db2.gz SDFHPBCDLAJIBR-UHFFFAOYSA-N -1 3 247.260 3.007 20 0 BGADHM CCCN(Cc1ccc([O-])c(F)c1)CC(F)F ZINC000387293369 711042993 /nfs/dbraw/zinc/04/29/93/711042993.db2.gz OTYGJQVHFHOYCL-UHFFFAOYSA-N -1 3 247.260 3.008 20 0 BGADHM CC[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])cc1Cl ZINC000387782839 369345056 /nfs/dbraw/zinc/34/50/56/369345056.db2.gz YXQVOXLJPIBQBD-VXNVDRBHSA-N -1 3 239.702 3.030 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2C[C@H]2CC(C)C)c([O-])c1 ZINC000388013021 384585629 /nfs/dbraw/zinc/58/56/29/384585629.db2.gz NRYDQULYJLOKRK-VXGBXAGGSA-N -1 3 247.338 3.321 20 0 BGADHM CC[C@@H]1C[C@H]1CNCc1cccc([O-])c1Cl ZINC000388018422 347154416 /nfs/dbraw/zinc/15/44/16/347154416.db2.gz OIVBWRCQVSXDHX-KOLCDFICSA-N -1 3 239.746 3.181 20 0 BGADHM CC[C@H]1CCC[C@@H]1NC(=O)c1cccc(C)c1[O-] ZINC000388923367 355340995 /nfs/dbraw/zinc/34/09/95/355340995.db2.gz SDLRYWDFHSVXAV-AAEUAGOBSA-N -1 3 247.338 3.009 20 0 BGADHM CC[C@@H]1CCC[C@H]1NC(=O)c1cccc(C)c1[O-] ZINC000388923369 355340972 /nfs/dbraw/zinc/34/09/72/355340972.db2.gz SDLRYWDFHSVXAV-DGCLKSJQSA-N -1 3 247.338 3.009 20 0 BGADHM CC[C@H]1CCC[C@H]1NC(=O)c1cccc(C)c1[O-] ZINC000388923370 355341092 /nfs/dbraw/zinc/34/10/92/355341092.db2.gz SDLRYWDFHSVXAV-WCQYABFASA-N -1 3 247.338 3.009 20 0 BGADHM CC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C)c1[O-] ZINC000388923372 355341322 /nfs/dbraw/zinc/34/13/22/355341322.db2.gz SDLRYWDFHSVXAV-YPMHNXCESA-N -1 3 247.338 3.009 20 0 BGADHM CC[C@H]1CCC[C@@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000388931147 355350365 /nfs/dbraw/zinc/35/03/65/355350365.db2.gz UNNIMJLKHCTLJH-AAEUAGOBSA-N -1 3 247.338 3.009 20 0 BGADHM CC[C@@H]1CCC[C@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000388931150 355350487 /nfs/dbraw/zinc/35/04/87/355350487.db2.gz UNNIMJLKHCTLJH-DGCLKSJQSA-N -1 3 247.338 3.009 20 0 BGADHM CC[C@H]1CCC[C@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000388931152 355350869 /nfs/dbraw/zinc/35/08/69/355350869.db2.gz UNNIMJLKHCTLJH-WCQYABFASA-N -1 3 247.338 3.009 20 0 BGADHM CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc([O-])c(C)c1 ZINC000388931156 355350938 /nfs/dbraw/zinc/35/09/38/355350938.db2.gz UNNIMJLKHCTLJH-YPMHNXCESA-N -1 3 247.338 3.009 20 0 BGADHM O=C(NCC1CCCCCC1)c1cccc([O-])c1 ZINC000389583048 356994474 /nfs/dbraw/zinc/99/44/74/356994474.db2.gz FMLMNMHWOFICGX-UHFFFAOYSA-N -1 3 247.338 3.092 20 0 BGADHM O=C(NCC1CCCCCC1)c1ccccc1[O-] ZINC000389655349 356652939 /nfs/dbraw/zinc/65/29/39/356652939.db2.gz RUUQZLYWQMSOGX-UHFFFAOYSA-N -1 3 247.338 3.092 20 0 BGADHM CCC1(NC(=O)c2cccc([O-])c2)CCCCC1 ZINC000389732560 357021081 /nfs/dbraw/zinc/02/10/81/357021081.db2.gz KBPKOJKPYJUEIL-UHFFFAOYSA-N -1 3 247.338 3.235 20 0 BGADHM CCC[C@H](C)N=c1[n-]c(C(F)(F)F)cs1 ZINC000389867807 539017795 /nfs/dbraw/zinc/01/77/95/539017795.db2.gz HQMAZNZQUOULAL-LURJTMIESA-N -1 3 238.278 3.184 20 0 BGADHM CCC[C@@H](C)N=c1[n-]c(C(F)(F)F)cs1 ZINC000389867808 539018015 /nfs/dbraw/zinc/01/80/15/539018015.db2.gz HQMAZNZQUOULAL-ZCFIWIBFSA-N -1 3 238.278 3.184 20 0 BGADHM CCCCN(C)Cc1cccc([O-])c1Cl ZINC000392831902 398060411 /nfs/dbraw/zinc/06/04/11/398060411.db2.gz HTSGXOHMPAPJDF-UHFFFAOYSA-N -1 3 227.735 3.278 20 0 BGADHM CC(F)(F)CC(=O)Nc1ccc([O-])cc1Cl ZINC000393218782 343764601 /nfs/dbraw/zinc/76/46/01/343764601.db2.gz BFTNTMLLWCBOLI-UHFFFAOYSA-N -1 3 249.644 3.029 20 0 BGADHM CC(C)CCNCc1cccc([O-])c1Cl ZINC000393250072 387886414 /nfs/dbraw/zinc/88/64/14/387886414.db2.gz DMJSJXIOZIHMFG-UHFFFAOYSA-N -1 3 227.735 3.181 20 0 BGADHM C[C@@H]1C[C@@H](C)N(Cc2cccc([O-])c2Cl)C1 ZINC000393306594 387154535 /nfs/dbraw/zinc/15/45/35/387154535.db2.gz FEXFRKMITONVOH-NXEZZACHSA-N -1 3 239.746 3.276 20 0 BGADHM C[C@H]1C[C@H](C)N(Cc2cccc([O-])c2Cl)C1 ZINC000393306596 387154975 /nfs/dbraw/zinc/15/49/75/387154975.db2.gz FEXFRKMITONVOH-UWVGGRQHSA-N -1 3 239.746 3.276 20 0 BGADHM C[C@@H]1C[C@H](C)CN1Cc1cccc([O-])c1Cl ZINC000393306598 387154275 /nfs/dbraw/zinc/15/42/75/387154275.db2.gz FEXFRKMITONVOH-VHSXEESVSA-N -1 3 239.746 3.276 20 0 BGADHM C[C@@H]1C[C@H](C)N(Cc2cccc([O-])c2Cl)C1 ZINC000393306600 387154900 /nfs/dbraw/zinc/15/49/00/387154900.db2.gz FEXFRKMITONVOH-ZJUUUORDSA-N -1 3 239.746 3.276 20 0 BGADHM CC(C)CC1(C(=O)[N-]OC(C)C)CCCC1 ZINC000393337938 711157281 /nfs/dbraw/zinc/15/72/81/711157281.db2.gz ZLWDNQXPZVGECX-UHFFFAOYSA-N -1 3 227.348 3.049 20 0 BGADHM CCCCCNCc1cccc([O-])c1Cl ZINC000393386832 387350958 /nfs/dbraw/zinc/35/09/58/387350958.db2.gz QNCPWVOSXIXHQR-UHFFFAOYSA-N -1 3 227.735 3.325 20 0 BGADHM [O-]c1cccc(CNC2(C3CC3)CC2)c1Cl ZINC000393504996 410724631 /nfs/dbraw/zinc/72/46/31/410724631.db2.gz VGDGANONRGPWDG-UHFFFAOYSA-N -1 3 237.730 3.078 20 0 BGADHM CCC1(NC(=O)c2cc(C)ccc2[O-])CCCC1 ZINC000394673614 323090520 /nfs/dbraw/zinc/09/05/20/323090520.db2.gz SHMCYXMYEZSUMC-UHFFFAOYSA-N -1 3 247.338 3.153 20 0 BGADHM Cc1cc(C(=O)N[C@H](C)CC(C)(C)C)ccc1[O-] ZINC000395031113 323185232 /nfs/dbraw/zinc/18/52/32/323185232.db2.gz VEDVZUPOTLSFSS-LLVKDONJSA-N -1 3 249.354 3.255 20 0 BGADHM Cc1cc(C(=O)N[C@@H](C)CC(C)(C)C)ccc1[O-] ZINC000395031114 323185230 /nfs/dbraw/zinc/18/52/30/323185230.db2.gz VEDVZUPOTLSFSS-NSHDSACASA-N -1 3 249.354 3.255 20 0 BGADHM CC1(C)CC(NCc2cccc([O-])c2Cl)C1 ZINC000395187072 487841931 /nfs/dbraw/zinc/84/19/31/487841931.db2.gz SZPAXHPPISKCAM-UHFFFAOYSA-N -1 3 239.746 3.324 20 0 BGADHM Cc1ccc(-c2nc(CCC3CC3)no2)c([O-])c1 ZINC000395612567 357446297 /nfs/dbraw/zinc/44/62/97/357446297.db2.gz FPYCMGCYHLGAFC-UHFFFAOYSA-N -1 3 244.294 3.093 20 0 BGADHM CC(C)[C@@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000395751167 357455011 /nfs/dbraw/zinc/45/50/11/357455011.db2.gz FVARLLVFCZLYLA-AWEZNQCLSA-N -1 3 247.338 3.043 20 0 BGADHM CC(C)[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000395751171 357454945 /nfs/dbraw/zinc/45/49/45/357454945.db2.gz FVARLLVFCZLYLA-CQSZACIVSA-N -1 3 247.338 3.043 20 0 BGADHM CC(C)C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000396797124 387493131 /nfs/dbraw/zinc/49/31/31/387493131.db2.gz YNAPUJIODCUSAW-GFCCVEGCSA-N -1 3 247.338 3.043 20 0 BGADHM CC(C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000396797125 387493335 /nfs/dbraw/zinc/49/33/35/387493335.db2.gz YNAPUJIODCUSAW-LBPRGKRZSA-N -1 3 247.338 3.043 20 0 BGADHM Cc1cc(C(=O)NC(C)(C)C2CCC2)ccc1[O-] ZINC000398114288 322864720 /nfs/dbraw/zinc/86/47/20/322864720.db2.gz OLCIEUIQNMUGBJ-UHFFFAOYSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc(C(=O)N[C@H](C)CCC2CC2)c1[O-] ZINC000398143269 343071734 /nfs/dbraw/zinc/07/17/34/343071734.db2.gz ASEXJRFDGFTDNN-LLVKDONJSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc(C(=O)N[C@@H](C)CCC2CC2)c1[O-] ZINC000398143273 343071544 /nfs/dbraw/zinc/07/15/44/343071544.db2.gz ASEXJRFDGFTDNN-NSHDSACASA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc(C(=O)N[C@H](C)CCC2CC2)c([O-])c1 ZINC000398158321 384819636 /nfs/dbraw/zinc/81/96/36/384819636.db2.gz HCUOMTDKSBXTIA-LLVKDONJSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc(C(=O)N[C@@H](C)CCC2CC2)c([O-])c1 ZINC000398158324 384819545 /nfs/dbraw/zinc/81/95/45/384819545.db2.gz HCUOMTDKSBXTIA-NSHDSACASA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C(=O)N[C@H](C)CCC2CC2)ccc1[O-] ZINC000398179312 384830461 /nfs/dbraw/zinc/83/04/61/384830461.db2.gz NMWRLWVHMVZPON-LLVKDONJSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C(=O)N[C@@H](C)CCC2CC2)ccc1[O-] ZINC000398179314 384829644 /nfs/dbraw/zinc/82/96/44/384829644.db2.gz NMWRLWVHMVZPON-NSHDSACASA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc([O-])c(C(=O)N[C@H](C)CCC2CC2)c1 ZINC000398201622 343087819 /nfs/dbraw/zinc/08/78/19/343087819.db2.gz WHSPKTIGOMRGJP-LLVKDONJSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1ccc([O-])c(C(=O)N[C@@H](C)CCC2CC2)c1 ZINC000398201623 343088169 /nfs/dbraw/zinc/08/81/69/343088169.db2.gz WHSPKTIGOMRGJP-NSHDSACASA-N -1 3 247.338 3.009 20 0 BGADHM [O-]c1cccc(CN2C3CCC2CC3)c1Cl ZINC000398924087 487737587 /nfs/dbraw/zinc/73/75/87/487737587.db2.gz VTJHTNXXVMFYLY-UHFFFAOYSA-N -1 3 237.730 3.172 20 0 BGADHM C[C@H](CN(C)C(=O)c1cccc([O-])c1)C(C)(C)C ZINC000399580978 368277242 /nfs/dbraw/zinc/27/72/42/368277242.db2.gz HVRWVRLRSWZQOD-LLVKDONJSA-N -1 3 249.354 3.146 20 0 BGADHM C[C@@H](CN(C)C(=O)c1cccc([O-])c1)C(C)(C)C ZINC000399580981 368277226 /nfs/dbraw/zinc/27/72/26/368277226.db2.gz HVRWVRLRSWZQOD-NSHDSACASA-N -1 3 249.354 3.146 20 0 BGADHM C[C@H](CN(C)C(=O)c1ccccc1[O-])C(C)(C)C ZINC000399636183 368432614 /nfs/dbraw/zinc/43/26/14/368432614.db2.gz ZJKGNLIPANFLAY-LLVKDONJSA-N -1 3 249.354 3.146 20 0 BGADHM C[C@@H](CN(C)C(=O)c1ccccc1[O-])C(C)(C)C ZINC000399636185 368432048 /nfs/dbraw/zinc/43/20/48/368432048.db2.gz ZJKGNLIPANFLAY-NSHDSACASA-N -1 3 249.354 3.146 20 0 BGADHM Cc1ccc([O-])c(C(=O)N(C)CCC(C)(C)C)c1 ZINC000399815083 411067436 /nfs/dbraw/zinc/06/74/36/411067436.db2.gz KNIPEWNPEUMBKL-UHFFFAOYSA-N -1 3 249.354 3.209 20 0 BGADHM Cc1cc(C(=O)N(C)CCC(C)(C)C)ccc1[O-] ZINC000399815492 411066598 /nfs/dbraw/zinc/06/65/98/411066598.db2.gz KYKOEDCMJZUMDQ-UHFFFAOYSA-N -1 3 249.354 3.209 20 0 BGADHM Cc1ccc(C(=O)N(C)CCC(C)(C)C)c([O-])c1 ZINC000399830609 411065792 /nfs/dbraw/zinc/06/57/92/411065792.db2.gz YCTVDKSHZGMSLD-UHFFFAOYSA-N -1 3 249.354 3.209 20 0 BGADHM Cc1cccc(C(=O)N(C)CCC(C)(C)C)c1[O-] ZINC000399833425 411065635 /nfs/dbraw/zinc/06/56/35/411065635.db2.gz ZUEQXTUICIYASW-UHFFFAOYSA-N -1 3 249.354 3.209 20 0 BGADHM O=C(CCC1CC1)Nc1ccc([O-])cc1Cl ZINC000400925640 345913606 /nfs/dbraw/zinc/91/36/06/345913606.db2.gz UQBUCUQIRBBFTH-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM CC1(CC(=O)Nc2ccc([O-])cc2Cl)CC1 ZINC000401365155 346641870 /nfs/dbraw/zinc/64/18/70/346641870.db2.gz SZWUKHZWIGYGQU-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000403662650 534187465 /nfs/dbraw/zinc/18/74/65/534187465.db2.gz MCCXFQNABZXSLL-IJLUTSLNSA-N -1 3 245.322 3.075 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c([O-])c1 ZINC000403662666 534187188 /nfs/dbraw/zinc/18/71/88/534187188.db2.gz MCCXFQNABZXSLL-TUAOUCFPSA-N -1 3 245.322 3.075 20 0 BGADHM Cc1ccc(NC(=O)CC(C)(C)C2CC2)c([O-])c1 ZINC000405886877 323127977 /nfs/dbraw/zinc/12/79/77/323127977.db2.gz MYBNWLDNTMSHTM-UHFFFAOYSA-N -1 3 247.338 3.465 20 0 BGADHM CC(C)(CC(F)F)C(=O)Nc1ccccc1[O-] ZINC000411203180 191170554 /nfs/dbraw/zinc/17/05/54/191170554.db2.gz YKHFRBGGEQCANY-UHFFFAOYSA-N -1 3 243.253 3.012 20 0 BGADHM C[C@@H](c1nc(-c2ccc([O-])cc2)no1)C1CCC1 ZINC000417235743 386464887 /nfs/dbraw/zinc/46/48/87/386464887.db2.gz ZHKIZTBGHAIMIV-SECBINFHSA-N -1 3 244.294 3.346 20 0 BGADHM C[C@H](c1nc(-c2ccc([O-])cc2)no1)C1CCC1 ZINC000417235746 386464962 /nfs/dbraw/zinc/46/49/62/386464962.db2.gz ZHKIZTBGHAIMIV-VIFPVBQESA-N -1 3 244.294 3.346 20 0 BGADHM CCCCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419389820 192130542 /nfs/dbraw/zinc/13/05/42/192130542.db2.gz PHJMCACIKKUXOE-UHFFFAOYSA-N -1 3 238.356 3.093 20 0 BGADHM CCC[C@@H](C)SCc1nc(CC)cc(=O)[n-]1 ZINC000419431529 192135201 /nfs/dbraw/zinc/13/52/01/192135201.db2.gz FRQZBTSDVVFRSX-SECBINFHSA-N -1 3 240.372 3.166 20 0 BGADHM CCC[C@H](C)SCc1nc(CC)cc(=O)[n-]1 ZINC000419431530 192135213 /nfs/dbraw/zinc/13/52/13/192135213.db2.gz FRQZBTSDVVFRSX-VIFPVBQESA-N -1 3 240.372 3.166 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421795965 192383940 /nfs/dbraw/zinc/38/39/40/192383940.db2.gz LHYNJDWRNOWAPL-IJLUTSLNSA-N -1 3 245.322 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421795967 192383320 /nfs/dbraw/zinc/38/33/20/192383320.db2.gz LHYNJDWRNOWAPL-TUAOUCFPSA-N -1 3 245.322 3.075 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C)c([O-])c1 ZINC000424540745 398192021 /nfs/dbraw/zinc/19/20/21/398192021.db2.gz UFURGQQHJIWUSK-NEPJUHHUSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000424540749 398191995 /nfs/dbraw/zinc/19/19/95/398191995.db2.gz UFURGQQHJIWUSK-NWDGAFQWSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000424540751 398192303 /nfs/dbraw/zinc/19/23/03/398192303.db2.gz UFURGQQHJIWUSK-RYUDHWBXSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C)c([O-])c1 ZINC000424540752 398192295 /nfs/dbraw/zinc/19/22/95/398192295.db2.gz UFURGQQHJIWUSK-VXGBXAGGSA-N -1 3 247.338 3.465 20 0 BGADHM C[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000424709613 206045637 /nfs/dbraw/zinc/04/56/37/206045637.db2.gz AAFFTCTZXBBPRV-GHMZBOCLSA-N -1 3 233.311 3.157 20 0 BGADHM C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000424709614 387254923 /nfs/dbraw/zinc/25/49/23/387254923.db2.gz AAFFTCTZXBBPRV-MNOVXSKESA-N -1 3 233.311 3.157 20 0 BGADHM C[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000424709616 387254072 /nfs/dbraw/zinc/25/40/72/387254072.db2.gz AAFFTCTZXBBPRV-QWRGUYRKSA-N -1 3 233.311 3.157 20 0 BGADHM C[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000424709617 200953097 /nfs/dbraw/zinc/95/30/97/200953097.db2.gz AAFFTCTZXBBPRV-WDEREUQCSA-N -1 3 233.311 3.157 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCC[C@@H]1C ZINC000424756549 387315792 /nfs/dbraw/zinc/31/57/92/387315792.db2.gz DKNZRZPQHYBOHO-CMPLNLGQSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCCC[C@@H]1C ZINC000424756551 387315783 /nfs/dbraw/zinc/31/57/83/387315783.db2.gz DKNZRZPQHYBOHO-JQWIXIFHSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCCC[C@H]1C ZINC000424756552 387316658 /nfs/dbraw/zinc/31/66/58/387316658.db2.gz DKNZRZPQHYBOHO-PWSUYJOCSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCC[C@H]1C ZINC000424756554 387316816 /nfs/dbraw/zinc/31/68/16/387316816.db2.gz DKNZRZPQHYBOHO-ZYHUDNBSSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)CC2CC(C)(C)C2)c([O-])c1 ZINC000427989760 191104414 /nfs/dbraw/zinc/10/44/14/191104414.db2.gz HDTIHBYNSHESBT-UHFFFAOYSA-N -1 3 247.338 3.465 20 0 BGADHM CC(C)[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000430135720 201146873 /nfs/dbraw/zinc/14/68/73/201146873.db2.gz UJRMGSQMROHHCN-SECBINFHSA-N -1 3 248.355 3.003 20 0 BGADHM CC(C)[C@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000430135722 201147993 /nfs/dbraw/zinc/14/79/93/201147993.db2.gz UJRMGSQMROHHCN-VIFPVBQESA-N -1 3 248.355 3.003 20 0 BGADHM CC1(CC(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000430259795 192861912 /nfs/dbraw/zinc/86/19/12/192861912.db2.gz RHUYDQJZDZHOQL-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM CC1(CC(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000430290245 387609260 /nfs/dbraw/zinc/60/92/60/387609260.db2.gz MTHSGSAHMOWGDB-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM CC1(C)CC(CC(=O)Nc2ccccc2[O-])C1 ZINC000431390112 387705927 /nfs/dbraw/zinc/70/59/27/387705927.db2.gz GOJYJARSATYSII-UHFFFAOYSA-N -1 3 233.311 3.157 20 0 BGADHM O=C(Nc1ccccc1[O-])[C@@H]1CC2CCC1CC2 ZINC000431394983 387704999 /nfs/dbraw/zinc/70/49/99/387704999.db2.gz YVRQZEFXUCSMSL-HTAVTVPLSA-N -1 3 245.322 3.157 20 0 BGADHM O=C(Nc1ccccc1[O-])[C@H]1CC2CCC1CC2 ZINC000431394984 387705403 /nfs/dbraw/zinc/70/54/03/387705403.db2.gz YVRQZEFXUCSMSL-MCIGGMRASA-N -1 3 245.322 3.157 20 0 BGADHM CCC[C@@H](C)N(C)C(=O)c1cc(CC)ccc1[O-] ZINC000436526716 201331164 /nfs/dbraw/zinc/33/11/64/201331164.db2.gz RJWHBADZGDOYQQ-LLVKDONJSA-N -1 3 249.354 3.215 20 0 BGADHM CCC[C@H](C)N(C)C(=O)c1cc(CC)ccc1[O-] ZINC000436526718 201331829 /nfs/dbraw/zinc/33/18/29/201331829.db2.gz RJWHBADZGDOYQQ-NSHDSACASA-N -1 3 249.354 3.215 20 0 BGADHM [O-]c1ccc(-c2noc(CCC3CCC3)n2)cc1 ZINC000436529147 201332202 /nfs/dbraw/zinc/33/22/02/201332202.db2.gz AKHXQFKASAEATK-UHFFFAOYSA-N -1 3 244.294 3.175 20 0 BGADHM CCC(CC)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436530730 201330895 /nfs/dbraw/zinc/33/08/95/201330895.db2.gz FOBRSBKSGHGGRA-UHFFFAOYSA-N -1 3 246.310 3.421 20 0 BGADHM CCC1(c2nc(-c3ccc([O-])cc3)no2)CCC1 ZINC000436536478 201330736 /nfs/dbraw/zinc/33/07/36/201330736.db2.gz VSXKKBJCCFSPNZ-UHFFFAOYSA-N -1 3 244.294 3.274 20 0 BGADHM Cc1ccc(C(=O)NC2(C)CCCC2)c([O-])c1C ZINC000436544047 201331836 /nfs/dbraw/zinc/33/18/36/201331836.db2.gz AXSLSGZOIRZWGI-UHFFFAOYSA-N -1 3 247.338 3.072 20 0 BGADHM CC[C@@H](C)N(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436547745 201330696 /nfs/dbraw/zinc/33/06/96/201330696.db2.gz YEHASUZWYWMKTQ-LLVKDONJSA-N -1 3 249.354 3.386 20 0 BGADHM CC[C@H](C)N(C)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436547747 201331508 /nfs/dbraw/zinc/33/15/08/201331508.db2.gz YEHASUZWYWMKTQ-NSHDSACASA-N -1 3 249.354 3.386 20 0 BGADHM CC[C@@H]1CCCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436551169 201331227 /nfs/dbraw/zinc/33/12/27/201331227.db2.gz MHXIIPHBXSLACT-GFCCVEGCSA-N -1 3 247.338 3.024 20 0 BGADHM CC[C@H]1CCCN1C(=O)c1ccc(C)c(C)c1[O-] ZINC000436551170 201332048 /nfs/dbraw/zinc/33/20/48/201332048.db2.gz MHXIIPHBXSLACT-LBPRGKRZSA-N -1 3 247.338 3.024 20 0 BGADHM CC1(C)CC(c2nc(-c3ccc([O-])cc3)no2)C1 ZINC000436561856 201330418 /nfs/dbraw/zinc/33/04/18/201330418.db2.gz CZXZJQACXKQHMG-UHFFFAOYSA-N -1 3 244.294 3.346 20 0 BGADHM CC(C)c1ccc(C(=O)NC2CC(C)C2)c([O-])c1 ZINC000436574917 201330444 /nfs/dbraw/zinc/33/04/44/201330444.db2.gz HEMBZZKPCBFROA-UHFFFAOYSA-N -1 3 247.338 3.044 20 0 BGADHM CC(C)c1ccc(C(=O)NCCC2CC2)c([O-])c1 ZINC000436577038 201330988 /nfs/dbraw/zinc/33/09/88/201330988.db2.gz QYXCGGYPUCIWFB-UHFFFAOYSA-N -1 3 247.338 3.046 20 0 BGADHM CC(C)c1ccc(C(=O)NCC2(C)CC2)c([O-])c1 ZINC000436578250 201332459 /nfs/dbraw/zinc/33/24/59/201332459.db2.gz UPVCVVKJUFCMMN-UHFFFAOYSA-N -1 3 247.338 3.046 20 0 BGADHM CCC1(NC(=O)c2ccc(C)c(C)c2[O-])CCC1 ZINC000436579987 201330437 /nfs/dbraw/zinc/33/04/37/201330437.db2.gz YQOHRTGBWXUEHJ-UHFFFAOYSA-N -1 3 247.338 3.072 20 0 BGADHM Cc1ccc(C(=O)N2[C@H](C)CC[C@H]2C)c([O-])c1C ZINC000436592195 201330758 /nfs/dbraw/zinc/33/07/58/201330758.db2.gz ZHOLIXTYQZMHKK-GHMZBOCLSA-N -1 3 247.338 3.022 20 0 BGADHM Cc1ccc(C(=O)N2[C@H](C)CC[C@@H]2C)c([O-])c1C ZINC000436592196 201331554 /nfs/dbraw/zinc/33/15/54/201331554.db2.gz ZHOLIXTYQZMHKK-PHIMTYICSA-N -1 3 247.338 3.022 20 0 BGADHM Cc1ccc(C(=O)N2[C@@H](C)CC[C@@H]2C)c([O-])c1C ZINC000436592197 201332371 /nfs/dbraw/zinc/33/23/71/201332371.db2.gz ZHOLIXTYQZMHKK-QWRGUYRKSA-N -1 3 247.338 3.022 20 0 BGADHM CC(C)c1ccc(C(=O)NC2(C)CCC2)c([O-])c1 ZINC000436601928 201331994 /nfs/dbraw/zinc/33/19/94/201331994.db2.gz DFYCXEHAVFXKQL-UHFFFAOYSA-N -1 3 247.338 3.188 20 0 BGADHM CCc1nc(-c2ccc([O-])c3ccccc23)no1 ZINC000436614301 201332717 /nfs/dbraw/zinc/33/27/17/201332717.db2.gz WBXAVTSRAITZGU-UHFFFAOYSA-N -1 3 240.262 3.158 20 0 BGADHM CCC[C@@H]1C[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000436623288 201334489 /nfs/dbraw/zinc/33/44/89/201334489.db2.gz HZGXHVXBUSJBIU-ZYHUDNBSSA-N -1 3 244.294 3.346 20 0 BGADHM CCCCNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436625925 201335350 /nfs/dbraw/zinc/33/53/50/201335350.db2.gz NZGOPYQLQMBVOK-UHFFFAOYSA-N -1 3 235.327 3.046 20 0 BGADHM CCC(CC)CNC(=O)c1ccc(C)c(C)c1[O-] ZINC000436673144 201333286 /nfs/dbraw/zinc/33/32/86/201333286.db2.gz POQIJZAKFJCBCH-UHFFFAOYSA-N -1 3 249.354 3.175 20 0 BGADHM CC(C)c1ccc(C(=O)NCC(C)(C)C)c([O-])c1 ZINC000436674686 201334169 /nfs/dbraw/zinc/33/41/69/201334169.db2.gz IQNJCLJSLYWUCD-UHFFFAOYSA-N -1 3 249.354 3.292 20 0 BGADHM CC(C)(C)CCCCNC(=O)c1ccccc1[O-] ZINC000436677859 201335212 /nfs/dbraw/zinc/33/52/12/201335212.db2.gz YVBJMWVWTYBOGE-UHFFFAOYSA-N -1 3 249.354 3.338 20 0 BGADHM CC[C@H](C)CCc1nc(-c2ccc([O-])cc2)no1 ZINC000436679841 201333977 /nfs/dbraw/zinc/33/39/77/201333977.db2.gz HUQWFUKSARPXLM-JTQLQIEISA-N -1 3 246.310 3.421 20 0 BGADHM CC[C@@H](C)CCc1nc(-c2ccc([O-])cc2)no1 ZINC000436679843 201335296 /nfs/dbraw/zinc/33/52/96/201335296.db2.gz HUQWFUKSARPXLM-SNVBAGLBSA-N -1 3 246.310 3.421 20 0 BGADHM CCc1cc(C(=O)NCC(CC)CC)ccc1[O-] ZINC000436685688 201334809 /nfs/dbraw/zinc/33/48/09/201334809.db2.gz CBAXKOCLWDAGQE-UHFFFAOYSA-N -1 3 249.354 3.121 20 0 BGADHM CCC[C@@H](CC)NC(=O)c1ccc([O-])c(CC)c1 ZINC000436685924 201333946 /nfs/dbraw/zinc/33/39/46/201333946.db2.gz CPUWRHQQMCWCIF-CYBMUJFWSA-N -1 3 249.354 3.263 20 0 BGADHM CCC[C@H](CC)NC(=O)c1ccc([O-])c(CC)c1 ZINC000436685925 201333887 /nfs/dbraw/zinc/33/38/87/201333887.db2.gz CPUWRHQQMCWCIF-ZDUSSCGKSA-N -1 3 249.354 3.263 20 0 BGADHM CCc1cc(C(=O)N[C@H](C)[C@H](C)CC)ccc1[O-] ZINC000436688790 201333843 /nfs/dbraw/zinc/33/38/43/201333843.db2.gz MDFNCMNGYQMZMK-GHMZBOCLSA-N -1 3 249.354 3.119 20 0 BGADHM CCc1cc(C(=O)N[C@@H](C)[C@H](C)CC)ccc1[O-] ZINC000436688791 201334927 /nfs/dbraw/zinc/33/49/27/201334927.db2.gz MDFNCMNGYQMZMK-MNOVXSKESA-N -1 3 249.354 3.119 20 0 BGADHM CCc1cc(C(=O)N[C@@H](C)[C@@H](C)CC)ccc1[O-] ZINC000436688792 201334784 /nfs/dbraw/zinc/33/47/84/201334784.db2.gz MDFNCMNGYQMZMK-QWRGUYRKSA-N -1 3 249.354 3.119 20 0 BGADHM CCc1cc(C(=O)N[C@H](C)[C@@H](C)CC)ccc1[O-] ZINC000436688793 201334332 /nfs/dbraw/zinc/33/43/32/201334332.db2.gz MDFNCMNGYQMZMK-WDEREUQCSA-N -1 3 249.354 3.119 20 0 BGADHM CCCC(C)(C)NC(=O)c1ccc([O-])c(CC)c1 ZINC000436692565 201334975 /nfs/dbraw/zinc/33/49/75/201334975.db2.gz YVJASTGMKIUSQM-UHFFFAOYSA-N -1 3 249.354 3.263 20 0 BGADHM CCOCc1csc(-c2ccccc2[O-])n1 ZINC000436703125 201335009 /nfs/dbraw/zinc/33/50/09/201335009.db2.gz KVNYZNBOHBOERO-UHFFFAOYSA-N -1 3 235.308 3.052 20 0 BGADHM CCNC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436706095 201334441 /nfs/dbraw/zinc/33/44/41/201334441.db2.gz TYHILBZLXKKSSU-UHFFFAOYSA-N -1 3 249.354 3.389 20 0 BGADHM CC(C)c1ccc(C(=O)N[C@H]2CC[C@@H]2C)c([O-])c1 ZINC000436712022 201334278 /nfs/dbraw/zinc/33/42/78/201334278.db2.gz MCEQMIOFLJYEKZ-GWCFXTLKSA-N -1 3 247.338 3.044 20 0 BGADHM CC(C)c1ccc(C(=O)N[C@@H]2CC[C@@H]2C)c([O-])c1 ZINC000436712023 201334567 /nfs/dbraw/zinc/33/45/67/201334567.db2.gz MCEQMIOFLJYEKZ-GXFFZTMASA-N -1 3 247.338 3.044 20 0 BGADHM CC(C)c1ccc(C(=O)N[C@H]2CC[C@H]2C)c([O-])c1 ZINC000436712025 201333185 /nfs/dbraw/zinc/33/31/85/201333185.db2.gz MCEQMIOFLJYEKZ-MFKMUULPSA-N -1 3 247.338 3.044 20 0 BGADHM CC(C)c1ccc(C(=O)N[C@@H]2CC[C@H]2C)c([O-])c1 ZINC000436712027 201334123 /nfs/dbraw/zinc/33/41/23/201334123.db2.gz MCEQMIOFLJYEKZ-ZWNOBZJWSA-N -1 3 247.338 3.044 20 0 BGADHM CC[C@@H](NC(=O)c1cccc(C)c1[O-])C(C)(C)C ZINC000436733011 201336620 /nfs/dbraw/zinc/33/66/20/201336620.db2.gz VWMIXPQNPNOIOH-GFCCVEGCSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@H](NC(=O)c1cccc(C)c1[O-])C(C)(C)C ZINC000436733012 201336635 /nfs/dbraw/zinc/33/66/35/201336635.db2.gz VWMIXPQNPNOIOH-LBPRGKRZSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@]1(C)C[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000436741310 201337262 /nfs/dbraw/zinc/33/72/62/201337262.db2.gz SJWQDVWVBZYFNI-BXUZGUMPSA-N -1 3 244.294 3.346 20 0 BGADHM CC[C@@]1(C)C[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000436741311 201336031 /nfs/dbraw/zinc/33/60/31/201336031.db2.gz SJWQDVWVBZYFNI-FZMZJTMJSA-N -1 3 244.294 3.346 20 0 BGADHM CC[C@@]1(C)C[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000436741312 201336305 /nfs/dbraw/zinc/33/63/05/201336305.db2.gz SJWQDVWVBZYFNI-RISCZKNCSA-N -1 3 244.294 3.346 20 0 BGADHM CC[C@]1(C)C[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000436741313 201336457 /nfs/dbraw/zinc/33/64/57/201336457.db2.gz SJWQDVWVBZYFNI-SMDDNHRTSA-N -1 3 244.294 3.346 20 0 BGADHM CCN(C(=O)c1ccc(C(C)C)cc1[O-])C1CC1 ZINC000436753327 201335932 /nfs/dbraw/zinc/33/59/32/201335932.db2.gz COWCIDOYMRZPSE-UHFFFAOYSA-N -1 3 247.338 3.140 20 0 BGADHM CC(C)c1ccc(C(=O)NC(C)(C)C)c([O-])c1 ZINC000436757179 201335662 /nfs/dbraw/zinc/33/56/62/201335662.db2.gz HIVTWZSMCPYYCJ-UHFFFAOYSA-N -1 3 235.327 3.044 20 0 BGADHM [O-]c1ccc(-c2noc(/C=C/C3CCC3)n2)cc1 ZINC000436762281 201337105 /nfs/dbraw/zinc/33/71/05/201337105.db2.gz BUPVJCFSJAPKBE-RUDMXATFSA-N -1 3 242.278 3.256 20 0 BGADHM [O-]c1ccc(-c2noc(/C=C\C3CCC3)n2)cc1 ZINC000436762282 201335790 /nfs/dbraw/zinc/33/57/90/201335790.db2.gz BUPVJCFSJAPKBE-WTKPLQERSA-N -1 3 242.278 3.256 20 0 BGADHM Cc1ccc(C(=O)NCCCC(C)C)c([O-])c1C ZINC000436764278 201336234 /nfs/dbraw/zinc/33/62/34/201336234.db2.gz PRPBVUPQVZLBJX-UHFFFAOYSA-N -1 3 249.354 3.175 20 0 BGADHM C/C=C/C=C\c1nc(-c2ccc([O-])cc2)no1 ZINC000436766039 201335645 /nfs/dbraw/zinc/33/56/45/201335645.db2.gz BVWNGEOTVMRLDQ-IAROGAJJSA-N -1 3 228.251 3.032 20 0 BGADHM C/C=C/C=C/c1nc(-c2ccc([O-])cc2)no1 ZINC000436766040 201336170 /nfs/dbraw/zinc/33/61/70/201336170.db2.gz BVWNGEOTVMRLDQ-MQQKCMAXSA-N -1 3 228.251 3.032 20 0 BGADHM C/C(=C\c1nc(-c2ccc([O-])cc2)no1)C1CC1 ZINC000436767654 201337222 /nfs/dbraw/zinc/33/72/22/201337222.db2.gz GRMOGNFEXXYYMQ-CMDGGOBGSA-N -1 3 242.278 3.256 20 0 BGADHM CC(C)[C@@H](C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436768268 201337132 /nfs/dbraw/zinc/33/71/32/201337132.db2.gz IULQRVTXJZEWPP-JTQLQIEISA-N -1 3 246.310 3.277 20 0 BGADHM CC(C)[C@H](C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436768270 201336129 /nfs/dbraw/zinc/33/61/29/201336129.db2.gz IULQRVTXJZEWPP-SNVBAGLBSA-N -1 3 246.310 3.277 20 0 BGADHM CCC[C@H](C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436770295 201336118 /nfs/dbraw/zinc/33/61/18/201336118.db2.gz QIVVPHGBDFLJOV-JTQLQIEISA-N -1 3 246.310 3.421 20 0 BGADHM CCC[C@@H](C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436770298 201336312 /nfs/dbraw/zinc/33/63/12/201336312.db2.gz QIVVPHGBDFLJOV-SNVBAGLBSA-N -1 3 246.310 3.421 20 0 BGADHM CC/C=C(\C)c1nc(-c2ccc([O-])cc2)no1 ZINC000436770610 201336405 /nfs/dbraw/zinc/33/64/05/201336405.db2.gz RZCMYVJDEUKUNS-RUDMXATFSA-N -1 3 230.267 3.256 20 0 BGADHM CC/C=C(/C)c1nc(-c2ccc([O-])cc2)no1 ZINC000436770612 201336959 /nfs/dbraw/zinc/33/69/59/201336959.db2.gz RZCMYVJDEUKUNS-WTKPLQERSA-N -1 3 230.267 3.256 20 0 BGADHM CCC(C)(C)Cc1nc(-c2ccc([O-])cc2)no1 ZINC000436779158 201335810 /nfs/dbraw/zinc/33/58/10/201335810.db2.gz VLMDZNXCPUWTFX-UHFFFAOYSA-N -1 3 246.310 3.421 20 0 BGADHM CCc1ccc(C(=O)Nc2ccccc2)c([O-])c1 ZINC000436805126 201336524 /nfs/dbraw/zinc/33/65/24/201336524.db2.gz XBDNMCKHXGIATP-UHFFFAOYSA-N -1 3 241.290 3.207 20 0 BGADHM CC(C)c1ccc(C(=O)N[C@@H]2CC2(C)C)c([O-])c1 ZINC000436824917 201338851 /nfs/dbraw/zinc/33/88/51/201338851.db2.gz JATFSTOOUWDFMV-CYBMUJFWSA-N -1 3 247.338 3.044 20 0 BGADHM CC(C)c1ccc(C(=O)N[C@H]2CC2(C)C)c([O-])c1 ZINC000436824918 201338960 /nfs/dbraw/zinc/33/89/60/201338960.db2.gz JATFSTOOUWDFMV-ZDUSSCGKSA-N -1 3 247.338 3.044 20 0 BGADHM CCc1ccc(C(=O)Nc2ccsc2)c([O-])c1 ZINC000436835349 201339082 /nfs/dbraw/zinc/33/90/82/201339082.db2.gz VXCIHUQBDIFYLZ-UHFFFAOYSA-N -1 3 247.319 3.268 20 0 BGADHM CCc1ccc(C(=O)N(C)C(C)(C)CC)c([O-])c1 ZINC000436835466 201338222 /nfs/dbraw/zinc/33/82/22/201338222.db2.gz WIABSCBSVSVPHZ-UHFFFAOYSA-N -1 3 249.354 3.215 20 0 BGADHM CCc1ccc(C(=O)NC2(CC)CCC2)c([O-])c1 ZINC000436836187 201339644 /nfs/dbraw/zinc/33/96/44/201339644.db2.gz YGCUMZWTMKOZDN-UHFFFAOYSA-N -1 3 247.338 3.017 20 0 BGADHM CCc1ccc(-c2nc(CC(C)C)no2)c([O-])c1 ZINC000436836957 201339378 /nfs/dbraw/zinc/33/93/78/201339378.db2.gz FCXHFEUSDBUDRU-UHFFFAOYSA-N -1 3 246.310 3.203 20 0 BGADHM CCCCN(CC)C(=O)c1ccc([O-])c(CC)c1 ZINC000436861270 201338595 /nfs/dbraw/zinc/33/85/95/201338595.db2.gz KEGWRVKOZKOYFQ-UHFFFAOYSA-N -1 3 249.354 3.217 20 0 BGADHM CC(C)OC(=O)c1ccc([O-])c2ccccc12 ZINC000436868019 201339106 /nfs/dbraw/zinc/33/91/06/201339106.db2.gz GCOKTCRZYMXUQT-UHFFFAOYSA-N -1 3 230.263 3.111 20 0 BGADHM CC(C)C(C)(C)c1nc(-c2ccc([O-])cc2)no1 ZINC000436868202 201339738 /nfs/dbraw/zinc/33/97/38/201339738.db2.gz GZOWSBUCAMFYIU-UHFFFAOYSA-N -1 3 246.310 3.376 20 0 BGADHM CCCN(CCC)C(=O)c1ccc([O-])c(CC)c1 ZINC000436871984 201338063 /nfs/dbraw/zinc/33/80/63/201338063.db2.gz VRCNXZOCZXUEEP-UHFFFAOYSA-N -1 3 249.354 3.217 20 0 BGADHM CCc1ccc(-c2nc(C(C)(C)C)no2)c([O-])c1 ZINC000436872171 201339660 /nfs/dbraw/zinc/33/96/60/201339660.db2.gz SUVDETRCIUTXLK-UHFFFAOYSA-N -1 3 246.310 3.302 20 0 BGADHM CC(C)[C@H]1C[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000436872549 201338583 /nfs/dbraw/zinc/33/85/83/201338583.db2.gz UIDHWIBHJCXYRX-NEPJUHHUSA-N -1 3 244.294 3.202 20 0 BGADHM CC(C)[C@@H]1C[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000436872551 201339184 /nfs/dbraw/zinc/33/91/84/201339184.db2.gz UIDHWIBHJCXYRX-NWDGAFQWSA-N -1 3 244.294 3.202 20 0 BGADHM CC(C)[C@@H]1C[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000436872553 201338687 /nfs/dbraw/zinc/33/86/87/201338687.db2.gz UIDHWIBHJCXYRX-RYUDHWBXSA-N -1 3 244.294 3.202 20 0 BGADHM CC(C)[C@H]1C[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000436872554 201338426 /nfs/dbraw/zinc/33/84/26/201338426.db2.gz UIDHWIBHJCXYRX-VXGBXAGGSA-N -1 3 244.294 3.202 20 0 BGADHM CC1(C)CCCCN(C(=O)c2ccccc2[O-])C1 ZINC000436885854 201341020 /nfs/dbraw/zinc/34/10/20/201341020.db2.gz FLBRQMCVKGGRCM-UHFFFAOYSA-N -1 3 247.338 3.045 20 0 BGADHM Cc1ccc(-c2nc(CC(C)C)no2)c([O-])c1C ZINC000436894903 201341885 /nfs/dbraw/zinc/34/18/85/201341885.db2.gz GXAWCZVPOYXTQH-UHFFFAOYSA-N -1 3 246.310 3.258 20 0 BGADHM CCc1ccc([O-])c(-c2nc(CC(C)C)no2)c1 ZINC000436897712 201340492 /nfs/dbraw/zinc/34/04/92/201340492.db2.gz TVBMHQUSCKVHSJ-UHFFFAOYSA-N -1 3 246.310 3.203 20 0 BGADHM Cc1ccc(C(=O)NC[C@@H](C)C(C)C)c([O-])c1C ZINC000436923857 201342352 /nfs/dbraw/zinc/34/23/52/201342352.db2.gz VDEKSDCYYLZMQY-LLVKDONJSA-N -1 3 249.354 3.031 20 0 BGADHM Cc1ccc(C(=O)NC[C@H](C)C(C)C)c([O-])c1C ZINC000436923859 201342065 /nfs/dbraw/zinc/34/20/65/201342065.db2.gz VDEKSDCYYLZMQY-NSHDSACASA-N -1 3 249.354 3.031 20 0 BGADHM CC[C@@H](NC(=O)c1ccc([O-])c(C)c1)C(C)(C)C ZINC000436938764 201340550 /nfs/dbraw/zinc/34/05/50/201340550.db2.gz MREAWMPKMYELCQ-CYBMUJFWSA-N -1 3 249.354 3.255 20 0 BGADHM CC[C@H](NC(=O)c1ccc([O-])c(C)c1)C(C)(C)C ZINC000436938765 201341811 /nfs/dbraw/zinc/34/18/11/201341811.db2.gz MREAWMPKMYELCQ-ZDUSSCGKSA-N -1 3 249.354 3.255 20 0 BGADHM CC(C)=CCCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000436993350 201342439 /nfs/dbraw/zinc/34/24/39/201342439.db2.gz BGFSQUWAQGHPKK-UHFFFAOYSA-N -1 3 247.338 3.095 20 0 BGADHM CC1(C)CCCCN(C(=O)c2cccc([O-])c2)C1 ZINC000438506932 387938454 /nfs/dbraw/zinc/93/84/54/387938454.db2.gz HQYYDMIGOYXPPN-UHFFFAOYSA-N -1 3 247.338 3.045 20 0 BGADHM CN(Cc1c(F)ccc([O-])c1F)c1ccccc1 ZINC000438860139 387960547 /nfs/dbraw/zinc/96/05/47/387960547.db2.gz RONDPJFYFRAZTD-UHFFFAOYSA-N -1 3 249.260 3.307 20 0 BGADHM Cc1cc(=O)[n-]c([C@@H](C)SCC(C)(C)C)n1 ZINC000440592466 388058884 /nfs/dbraw/zinc/05/88/84/388058884.db2.gz GNZYXEPGSWTIOJ-SECBINFHSA-N -1 3 240.372 3.331 20 0 BGADHM Cc1cc(=O)[n-]c([C@H](C)SCC(C)(C)C)n1 ZINC000440592471 388059661 /nfs/dbraw/zinc/05/96/61/388059661.db2.gz GNZYXEPGSWTIOJ-VIFPVBQESA-N -1 3 240.372 3.331 20 0 BGADHM CC(C)CC1(C(=O)Nc2ccccc2[O-])CC1 ZINC000442295524 387794582 /nfs/dbraw/zinc/79/45/82/387794582.db2.gz SJDQNXMLFADAGI-UHFFFAOYSA-N -1 3 233.311 3.157 20 0 BGADHM Cc1ccc(NC(=O)C2(CC(C)C)CC2)c([O-])c1 ZINC000442423588 387798035 /nfs/dbraw/zinc/79/80/35/387798035.db2.gz YUXHNEZIDDUCLX-UHFFFAOYSA-N -1 3 247.338 3.465 20 0 BGADHM CC1=C(c2nc(-c3ccc([O-])cc3)no2)CCC1 ZINC000445255522 385716705 /nfs/dbraw/zinc/71/67/05/385716705.db2.gz DNNOHOUTYPXXSC-UHFFFAOYSA-N -1 3 242.278 3.400 20 0 BGADHM CC(C)=CCS[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000446126077 388001058 /nfs/dbraw/zinc/00/10/58/388001058.db2.gz KSTODPQDXRPZLL-JTQLQIEISA-N -1 3 238.356 3.251 20 0 BGADHM CC(C)=CCS[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000446126078 388001574 /nfs/dbraw/zinc/00/15/74/388001574.db2.gz KSTODPQDXRPZLL-SNVBAGLBSA-N -1 3 238.356 3.251 20 0 BGADHM [O-]c1ccccc1-c1nc(CC2CC2)cs1 ZINC000447166899 388056570 /nfs/dbraw/zinc/05/65/70/388056570.db2.gz MSVLHGOXRCJZGG-UHFFFAOYSA-N -1 3 231.320 3.468 20 0 BGADHM CCC1(C(=O)Nc2nc(C)ccc2[O-])CCCC1 ZINC000447638444 388084583 /nfs/dbraw/zinc/08/45/83/388084583.db2.gz ZOUGOLSDSKKSAL-UHFFFAOYSA-N -1 3 248.326 3.005 20 0 BGADHM Cc1ccc(NC(=O)CCCC(C)C)c([O-])c1 ZINC000448572692 201325798 /nfs/dbraw/zinc/32/57/98/201325798.db2.gz KJXWRJQVNKIAQC-UHFFFAOYSA-N -1 3 235.327 3.465 20 0 BGADHM Cc1ccc(NC(=O)[C@@]2(C)CCC[C@H]2C)c([O-])c1 ZINC000448574535 201330567 /nfs/dbraw/zinc/33/05/67/201330567.db2.gz QHNYPRPGQUBWAS-ABAIWWIYSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)[C@]2(C)CCC[C@H]2C)c([O-])c1 ZINC000448574536 201330349 /nfs/dbraw/zinc/33/03/49/201330349.db2.gz QHNYPRPGQUBWAS-IAQYHMDHSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)[C@@]2(C)CCC[C@@H]2C)c([O-])c1 ZINC000448574537 201330739 /nfs/dbraw/zinc/33/07/39/201330739.db2.gz QHNYPRPGQUBWAS-NHYWBVRUSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)[C@]2(C)CCC[C@@H]2C)c([O-])c1 ZINC000448574538 201330623 /nfs/dbraw/zinc/33/06/23/201330623.db2.gz QHNYPRPGQUBWAS-XHDPSFHLSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)c([O-])c1 ZINC000448575167 201330765 /nfs/dbraw/zinc/33/07/65/201330765.db2.gz SWTOMNTXKAZNGX-SDDRHHMPSA-N -1 3 245.322 3.075 20 0 BGADHM Cc1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c([O-])c1 ZINC000448575375 201330728 /nfs/dbraw/zinc/33/07/28/201330728.db2.gz SWTOMNTXKAZNGX-WOPDTQHZSA-N -1 3 245.322 3.075 20 0 BGADHM Cc1ccc(NC(=O)[C@@]2(C)CC=CCC2)c([O-])c1 ZINC000448575880 201333346 /nfs/dbraw/zinc/33/33/46/201333346.db2.gz WVSSNOYQMTYIDC-HNNXBMFYSA-N -1 3 245.322 3.386 20 0 BGADHM Cc1ccc(NC(=O)[C@]2(C)CC=CCC2)c([O-])c1 ZINC000448575881 201333242 /nfs/dbraw/zinc/33/32/42/201333242.db2.gz WVSSNOYQMTYIDC-OAHLLOKOSA-N -1 3 245.322 3.386 20 0 BGADHM CC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000448576283 201333360 /nfs/dbraw/zinc/33/33/60/201333360.db2.gz ZJGCTOKKSHGBHV-NEPJUHHUSA-N -1 3 247.338 3.465 20 0 BGADHM CC[C@H]1CCC[C@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000448576284 201334701 /nfs/dbraw/zinc/33/47/01/201334701.db2.gz ZJGCTOKKSHGBHV-NWDGAFQWSA-N -1 3 247.338 3.465 20 0 BGADHM CC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000448576285 201335310 /nfs/dbraw/zinc/33/53/10/201335310.db2.gz ZJGCTOKKSHGBHV-RYUDHWBXSA-N -1 3 247.338 3.465 20 0 BGADHM CC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000448576286 201333821 /nfs/dbraw/zinc/33/38/21/201333821.db2.gz ZJGCTOKKSHGBHV-VXGBXAGGSA-N -1 3 247.338 3.465 20 0 BGADHM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccccc1[O-] ZINC000448759638 385407698 /nfs/dbraw/zinc/40/76/98/385407698.db2.gz DOQFKGGGGRPXPH-HZMBPMFUSA-N -1 3 233.311 3.157 20 0 BGADHM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccccc1[O-] ZINC000448759639 385408303 /nfs/dbraw/zinc/40/83/03/385408303.db2.gz DOQFKGGGGRPXPH-IINYFYTJSA-N -1 3 233.311 3.157 20 0 BGADHM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccccc1[O-] ZINC000448759640 385408137 /nfs/dbraw/zinc/40/81/37/385408137.db2.gz DOQFKGGGGRPXPH-QMTHXVAHSA-N -1 3 233.311 3.157 20 0 BGADHM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccccc1[O-] ZINC000448759641 385408397 /nfs/dbraw/zinc/40/83/97/385408397.db2.gz DOQFKGGGGRPXPH-YGRLFVJLSA-N -1 3 233.311 3.157 20 0 BGADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2[O-])C[C@@H]1C ZINC000448759954 385410351 /nfs/dbraw/zinc/41/03/51/385410351.db2.gz FPQVHZNDUJYXNS-GRYCIOLGSA-N -1 3 247.338 3.403 20 0 BGADHM C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2[O-])C[C@H]1C ZINC000448759955 385410715 /nfs/dbraw/zinc/41/07/15/385410715.db2.gz FPQVHZNDUJYXNS-IJLUTSLNSA-N -1 3 247.338 3.403 20 0 BGADHM C[C@@H]1CC[C@H](C(=O)Nc2ccccc2[O-])C[C@H]1C ZINC000448759956 219862114 /nfs/dbraw/zinc/86/21/14/219862114.db2.gz FPQVHZNDUJYXNS-UTUOFQBUSA-N -1 3 247.338 3.403 20 0 BGADHM C[C@@H]1CC[C@H](C(=O)Nc2ccccc2[O-])C[C@@H]1C ZINC000448759957 385410792 /nfs/dbraw/zinc/41/07/92/385410792.db2.gz FPQVHZNDUJYXNS-WOPDTQHZSA-N -1 3 247.338 3.403 20 0 BGADHM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1[O-] ZINC000448764518 385498237 /nfs/dbraw/zinc/49/82/37/385498237.db2.gz SGRNDAHCMUAONR-GHMZBOCLSA-N -1 3 233.311 3.013 20 0 BGADHM CC[C@H](CC(C)C)C(=O)Nc1ccccc1[O-] ZINC000449157762 388150328 /nfs/dbraw/zinc/15/03/28/388150328.db2.gz RALKEVBETOWAKN-LLVKDONJSA-N -1 3 235.327 3.403 20 0 BGADHM CC[C@@H](CC(C)C)C(=O)Nc1ccccc1[O-] ZINC000449157763 388150436 /nfs/dbraw/zinc/15/04/36/388150436.db2.gz RALKEVBETOWAKN-NSHDSACASA-N -1 3 235.327 3.403 20 0 BGADHM CC[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000449821420 202041488 /nfs/dbraw/zinc/04/14/88/202041488.db2.gz PZKOBKFNGHBCMA-VXNVDRBHSA-N -1 3 239.702 3.030 20 0 BGADHM CC(C)CCCC(=O)Nc1cc(F)ccc1[O-] ZINC000450042123 202072139 /nfs/dbraw/zinc/07/21/39/202072139.db2.gz JWNPMTGVSOOANA-UHFFFAOYSA-N -1 3 239.290 3.296 20 0 BGADHM CC[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000450220972 202101490 /nfs/dbraw/zinc/10/14/90/202101490.db2.gz MZXOYSIJFDYHEN-VXNVDRBHSA-N -1 3 239.702 3.030 20 0 BGADHM C[C@]1(C(=O)Nc2cc(F)ccc2[O-])CC=CCC1 ZINC000450400215 202154515 /nfs/dbraw/zinc/15/45/15/202154515.db2.gz FPDGAXLGBUCVKO-AWEZNQCLSA-N -1 3 249.285 3.216 20 0 BGADHM C[C@@]1(C(=O)Nc2cc(F)ccc2[O-])CC=CCC1 ZINC000450400216 202154557 /nfs/dbraw/zinc/15/45/57/202154557.db2.gz FPDGAXLGBUCVKO-CQSZACIVSA-N -1 3 249.285 3.216 20 0 BGADHM CC(C)CCCC(=O)Nc1ccc([O-])cc1F ZINC000450516557 202188588 /nfs/dbraw/zinc/18/85/88/202188588.db2.gz LBPLZDVAQDJBMF-UHFFFAOYSA-N -1 3 239.290 3.296 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC000450568060 202200835 /nfs/dbraw/zinc/20/08/35/202200835.db2.gz USFSTYYESONJOQ-VXGBXAGGSA-N -1 3 247.338 3.321 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000450568837 387873831 /nfs/dbraw/zinc/87/38/31/387873831.db2.gz VRCRNYHMGINSAN-SDDRHHMPSA-N -1 3 245.322 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000450568839 387873804 /nfs/dbraw/zinc/87/38/04/387873804.db2.gz VRCRNYHMGINSAN-WOPDTQHZSA-N -1 3 245.322 3.075 20 0 BGADHM CC(C)CCCc1nc(-c2ccc([O-])cc2)no1 ZINC000453031151 202687720 /nfs/dbraw/zinc/68/77/20/202687720.db2.gz WSVXLNAFBKYWDL-UHFFFAOYSA-N -1 3 246.310 3.421 20 0 BGADHM CCc1ccc(-c2nc(C3(C)CC3)no2)c([O-])c1 ZINC000453297175 388038183 /nfs/dbraw/zinc/03/81/83/388038183.db2.gz HRKYTNJKMVXFMF-UHFFFAOYSA-N -1 3 244.294 3.056 20 0 BGADHM CCc1ccc([O-])c(-c2nc(C3(C)CC3)no2)c1 ZINC000453322547 388046368 /nfs/dbraw/zinc/04/63/68/388046368.db2.gz RETZOQVGEHKOPD-UHFFFAOYSA-N -1 3 244.294 3.056 20 0 BGADHM Cc1ccc(NC(=O)C2=CC[C@H](C)CC2)c([O-])c1 ZINC000454240958 202804414 /nfs/dbraw/zinc/80/44/14/202804414.db2.gz LPQMGLXRJDUAJD-JTQLQIEISA-N -1 3 245.322 3.386 20 0 BGADHM Cc1ccc(NC(=O)C2=CC[C@@H](C)CC2)c([O-])c1 ZINC000454240960 388109467 /nfs/dbraw/zinc/10/94/67/388109467.db2.gz LPQMGLXRJDUAJD-SNVBAGLBSA-N -1 3 245.322 3.386 20 0 BGADHM O=C(Nc1ccccc1[O-])C1(C2CCC2)CCC1 ZINC000454912883 388139700 /nfs/dbraw/zinc/13/97/00/388139700.db2.gz AFAALRQMRDJQAD-UHFFFAOYSA-N -1 3 245.322 3.301 20 0 BGADHM CC1(C)CC=C(C(=O)Nc2ccccc2[O-])CC1 ZINC000454931148 388140116 /nfs/dbraw/zinc/14/01/16/388140116.db2.gz UJNPUSSSAXLMDB-UHFFFAOYSA-N -1 3 245.322 3.467 20 0 BGADHM C[C@@H]1CC=C(C(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000455998006 397992305 /nfs/dbraw/zinc/99/23/05/397992305.db2.gz JZARRZVIETXDCD-SECBINFHSA-N -1 3 249.285 3.216 20 0 BGADHM C[C@H]1CC=C(C(=O)Nc2cc(F)ccc2[O-])CC1 ZINC000455998007 397992240 /nfs/dbraw/zinc/99/22/40/397992240.db2.gz JZARRZVIETXDCD-VIFPVBQESA-N -1 3 249.285 3.216 20 0 BGADHM CCC[C@@H](NC(=O)c1cccc([O-])c1)C(C)(C)C ZINC000456117161 388179118 /nfs/dbraw/zinc/17/91/18/388179118.db2.gz QPXSUYIZEYGNER-CYBMUJFWSA-N -1 3 249.354 3.337 20 0 BGADHM CCC[C@H](NC(=O)c1cccc([O-])c1)C(C)(C)C ZINC000456117162 388179433 /nfs/dbraw/zinc/17/94/33/388179433.db2.gz QPXSUYIZEYGNER-ZDUSSCGKSA-N -1 3 249.354 3.337 20 0 BGADHM Cc1ccc(NC(=O)[C@@H](C)C2CCC2)c([O-])c1 ZINC000457379210 203049931 /nfs/dbraw/zinc/04/99/31/203049931.db2.gz AHCMTPOSUCSJAD-JTQLQIEISA-N -1 3 233.311 3.075 20 0 BGADHM Cc1ccc(NC(=O)[C@H](C)C2CCC2)c([O-])c1 ZINC000457379212 203049645 /nfs/dbraw/zinc/04/96/45/203049645.db2.gz AHCMTPOSUCSJAD-SNVBAGLBSA-N -1 3 233.311 3.075 20 0 BGADHM CC[C@H](CC(F)F)C(=O)Nc1ccccc1[O-] ZINC000457444305 203062927 /nfs/dbraw/zinc/06/29/27/203062927.db2.gz BFGLCZXFNJPOIP-MRVPVSSYSA-N -1 3 243.253 3.012 20 0 BGADHM CC[C@@H](CC(F)F)C(=O)Nc1ccccc1[O-] ZINC000457444307 203063862 /nfs/dbraw/zinc/06/38/62/203063862.db2.gz BFGLCZXFNJPOIP-QMMMGPOBSA-N -1 3 243.253 3.012 20 0 BGADHM CC(C)(C)C1CC(C(=O)Nc2ccccc2[O-])C1 ZINC000457450584 203064348 /nfs/dbraw/zinc/06/43/48/203064348.db2.gz HTUDNBNRQYVHSE-UHFFFAOYSA-N -1 3 247.338 3.403 20 0 BGADHM CCC1(CC)CN(Cc2cc([O-])cc(F)c2)C1 ZINC000459595398 203312013 /nfs/dbraw/zinc/31/20/13/203312013.db2.gz MTRHLTMFABCNGI-UHFFFAOYSA-N -1 3 237.318 3.153 20 0 BGADHM [O-]c1cc(F)cc(CN2CC3(C2)CCCCC3)c1 ZINC000459600822 203312832 /nfs/dbraw/zinc/31/28/32/203312832.db2.gz VRCASOMEZPNRBH-UHFFFAOYSA-N -1 3 249.329 3.297 20 0 BGADHM [O-]c1cc(F)cc(CN2CC(C3CCCC3)C2)c1 ZINC000459603549 203315167 /nfs/dbraw/zinc/31/51/67/203315167.db2.gz AEFTYGPBVMLHNW-UHFFFAOYSA-N -1 3 249.329 3.153 20 0 BGADHM CCC1(C)CN(Cc2cccc([O-])c2Cl)C1 ZINC000459629165 203323045 /nfs/dbraw/zinc/32/30/45/203323045.db2.gz DCHMNUAULVYTOS-UHFFFAOYSA-N -1 3 239.746 3.278 20 0 BGADHM CC(C)(C)C1CN(Cc2cc([O-])cc(F)c2)C1 ZINC000459651485 203331318 /nfs/dbraw/zinc/33/13/18/203331318.db2.gz ZACRJNYSOQEFPI-UHFFFAOYSA-N -1 3 237.318 3.009 20 0 BGADHM CCC[C@@H]1C[C@H]1C(=O)Nc1ccc(C)cc1[O-] ZINC000461745889 388261784 /nfs/dbraw/zinc/26/17/84/388261784.db2.gz MMSDQUQPXIAABJ-GHMZBOCLSA-N -1 3 233.311 3.075 20 0 BGADHM Cc1ccc2nc(-c3cc([O-])cc(F)c3)[nH]c2c1 ZINC000471428219 534486924 /nfs/dbraw/zinc/48/69/24/534486924.db2.gz RFSVSJPKKNIEDS-UHFFFAOYSA-N -1 3 242.253 3.383 20 0 BGADHM Cc1ccc2[nH]c(-c3cc([O-])cc(F)c3)nc2c1 ZINC000471428219 534486918 /nfs/dbraw/zinc/48/69/18/534486918.db2.gz RFSVSJPKKNIEDS-UHFFFAOYSA-N -1 3 242.253 3.383 20 0 BGADHM Cc1cccc2nc(-c3cc([O-])cc(F)c3)[nH]c21 ZINC000471436897 225066508 /nfs/dbraw/zinc/06/65/08/225066508.db2.gz PUDMTTAVHAAAHO-UHFFFAOYSA-N -1 3 242.253 3.383 20 0 BGADHM Cc1cccc2[nH]c(-c3cc([O-])cc(F)c3)nc21 ZINC000471436897 225066504 /nfs/dbraw/zinc/06/65/04/225066504.db2.gz PUDMTTAVHAAAHO-UHFFFAOYSA-N -1 3 242.253 3.383 20 0 BGADHM C[C@@H](CC(C)(C)C)C(=O)Nc1ccccc1[O-] ZINC000475617468 533464206 /nfs/dbraw/zinc/46/42/06/533464206.db2.gz JIMMVXFFLNTNST-JTQLQIEISA-N -1 3 235.327 3.403 20 0 BGADHM C[C@H](CC(C)(C)C)C(=O)Nc1ccccc1[O-] ZINC000475617472 225138599 /nfs/dbraw/zinc/13/85/99/225138599.db2.gz JIMMVXFFLNTNST-SNVBAGLBSA-N -1 3 235.327 3.403 20 0 BGADHM CC[C@H]1CC[C@H](NC(=O)c2cccc([O-])c2)CC1 ZINC000479655381 529256807 /nfs/dbraw/zinc/25/68/07/529256807.db2.gz LSOWYVIHPYUBDD-AULYBMBSSA-N -1 3 247.338 3.091 20 0 BGADHM CCc1cc(C(=O)NCCC(C)(C)C)ccc1[O-] ZINC000485691666 529516630 /nfs/dbraw/zinc/51/66/30/529516630.db2.gz FERDFGXUGTWBPG-UHFFFAOYSA-N -1 3 249.354 3.121 20 0 BGADHM CCc1cc(C(=O)NC2(C)CCCC2)ccc1[O-] ZINC000485947934 529516012 /nfs/dbraw/zinc/51/60/12/529516012.db2.gz WBSJJJZCGTWDTQ-UHFFFAOYSA-N -1 3 247.338 3.017 20 0 BGADHM CCc1cc(C(=O)NC(C)(CC)CC)ccc1[O-] ZINC000486259184 529516080 /nfs/dbraw/zinc/51/60/80/529516080.db2.gz XTOGCIHHEUDUFG-UHFFFAOYSA-N -1 3 249.354 3.263 20 0 BGADHM CCc1cc(C(=O)N[C@H](C)CC(C)C)ccc1[O-] ZINC000486925322 529519297 /nfs/dbraw/zinc/51/92/97/529519297.db2.gz LVBJPNHQLLFUAA-LLVKDONJSA-N -1 3 249.354 3.119 20 0 BGADHM CCc1cc(C(=O)N[C@@H](C)CC(C)C)ccc1[O-] ZINC000486925324 529518356 /nfs/dbraw/zinc/51/83/56/529518356.db2.gz LVBJPNHQLLFUAA-NSHDSACASA-N -1 3 249.354 3.119 20 0 BGADHM CCC[C@@H]1C[C@H]1C(=O)Nc1c(C)cccc1[O-] ZINC000486961655 527848987 /nfs/dbraw/zinc/84/89/87/527848987.db2.gz YRFTZCJXOMJLHM-GHMZBOCLSA-N -1 3 233.311 3.075 20 0 BGADHM CCc1cc(C(=O)NCCC=C(C)C)ccc1[O-] ZINC000487279195 529516868 /nfs/dbraw/zinc/51/68/68/529516868.db2.gz OKAWONLPRUWQRZ-UHFFFAOYSA-N -1 3 247.338 3.041 20 0 BGADHM CCc1cc(C(=O)NCC(C)(C)CC)ccc1[O-] ZINC000487636336 529516044 /nfs/dbraw/zinc/51/60/44/529516044.db2.gz QTEBWZFHHSRDIJ-UHFFFAOYSA-N -1 3 249.354 3.121 20 0 BGADHM CCC(C)(C)CC(=O)Nc1c(C)cccc1[O-] ZINC000490614782 388243071 /nfs/dbraw/zinc/24/30/71/388243071.db2.gz NWDQODJYHONVIG-UHFFFAOYSA-N -1 3 235.327 3.465 20 0 BGADHM CCC(CC)CC(=O)Nc1c(C)cccc1[O-] ZINC000490709099 388249028 /nfs/dbraw/zinc/24/90/28/388249028.db2.gz LWKAYBBCQSPJKM-UHFFFAOYSA-N -1 3 235.327 3.465 20 0 BGADHM CC1CCC(c2nc3cccnc3c(=O)[n-]2)CC1 ZINC000491603548 538921169 /nfs/dbraw/zinc/92/11/69/538921169.db2.gz DORGFDRBLOVMQE-UHFFFAOYSA-N -1 3 243.310 3.024 20 0 BGADHM C[C@@H]1CCC[C@@H](c2nc3cccnc3c(=O)[n-]2)C1 ZINC000491603890 538921120 /nfs/dbraw/zinc/92/11/20/538921120.db2.gz HGGMDIHGPBNBJD-NXEZZACHSA-N -1 3 243.310 3.024 20 0 BGADHM C[C@H]1CCC[C@H](c2nc3cccnc3c(=O)[n-]2)C1 ZINC000491603891 538921205 /nfs/dbraw/zinc/92/12/05/538921205.db2.gz HGGMDIHGPBNBJD-UWVGGRQHSA-N -1 3 243.310 3.024 20 0 BGADHM C[C@H]1CCC[C@@H](c2nc3cccnc3c(=O)[n-]2)C1 ZINC000491603892 538921209 /nfs/dbraw/zinc/92/12/09/538921209.db2.gz HGGMDIHGPBNBJD-VHSXEESVSA-N -1 3 243.310 3.024 20 0 BGADHM C[C@@H]1CCC[C@H](c2nc3cccnc3c(=O)[n-]2)C1 ZINC000491603893 538921245 /nfs/dbraw/zinc/92/12/45/538921245.db2.gz HGGMDIHGPBNBJD-ZJUUUORDSA-N -1 3 243.310 3.024 20 0 BGADHM C/C=C/C=C\C(=O)Nc1cc(Cl)ccc1[O-] ZINC000492271097 388339897 /nfs/dbraw/zinc/33/98/97/388339897.db2.gz UDTDQXFJUHOUTG-IAROGAJJSA-N -1 3 237.686 3.116 20 0 BGADHM O=C(/C=C\c1ccsc1)Nc1ccccc1[O-] ZINC000492285011 388340484 /nfs/dbraw/zinc/34/04/84/388340484.db2.gz ZRUBUNAGXSYKID-WAYWQWQTSA-N -1 3 245.303 3.106 20 0 BGADHM C/C=C(/C=C\C(=O)Nc1cccc([O-])c1F)CC ZINC000492301828 388340912 /nfs/dbraw/zinc/34/09/12/388340912.db2.gz WKZQWFOPPDKYJX-ODVCJYRKSA-N -1 3 249.285 3.382 20 0 BGADHM C/C=C(/C=C/C(=O)Nc1cccc([O-])c1F)CC ZINC000492301829 388340833 /nfs/dbraw/zinc/34/08/33/388340833.db2.gz WKZQWFOPPDKYJX-UTDLVPNFSA-N -1 3 249.285 3.382 20 0 BGADHM C/C=C(/C=C\C(=O)Nc1ccccc1[O-])CC ZINC000492304727 388341023 /nfs/dbraw/zinc/34/10/23/388341023.db2.gz QRGJGGFYUAGNME-MSRQTSMUSA-N -1 3 231.295 3.243 20 0 BGADHM C/C=C(/C=C/C(=O)Nc1ccccc1[O-])CC ZINC000492304728 388340944 /nfs/dbraw/zinc/34/09/44/388340944.db2.gz QRGJGGFYUAGNME-VVVHQUFHSA-N -1 3 231.295 3.243 20 0 BGADHM C/C=C/C=C\C(=O)Nc1ccc(Cl)cc1[O-] ZINC000492304759 388341028 /nfs/dbraw/zinc/34/10/28/388341028.db2.gz QYVRMFFIHIIWHS-IAROGAJJSA-N -1 3 237.686 3.116 20 0 BGADHM CC(C)(C)/C=C\C(=O)Nc1ccc([O-])cc1F ZINC000492536629 527556962 /nfs/dbraw/zinc/55/69/62/527556962.db2.gz PUVYRYRKJWHFEZ-SREVYHEPSA-N -1 3 237.274 3.072 20 0 BGADHM C/C=C(/C=C\C(=O)Nc1ccc([O-])cc1F)CC ZINC000492733443 527563606 /nfs/dbraw/zinc/56/36/06/527563606.db2.gz HJJAITVWVOSSRB-IKJNXXLOSA-N -1 3 249.285 3.382 20 0 BGADHM C/C=C(/C=C/C(=O)Nc1ccc([O-])cc1F)CC ZINC000492733444 527556627 /nfs/dbraw/zinc/55/66/27/527556627.db2.gz HJJAITVWVOSSRB-ZVBUZHGDSA-N -1 3 249.285 3.382 20 0 BGADHM O=C(/C=C/C1CCCC1)Nc1ccc([O-])cc1F ZINC000493142856 226138669 /nfs/dbraw/zinc/13/86/69/226138669.db2.gz YSMRJWXRZHUVJQ-VMPITWQZSA-N -1 3 249.285 3.216 20 0 BGADHM O=C(/C=C\C1CCCC1)Nc1ccc([O-])cc1F ZINC000493142857 226138263 /nfs/dbraw/zinc/13/82/63/226138263.db2.gz YSMRJWXRZHUVJQ-YVMONPNESA-N -1 3 249.285 3.216 20 0 BGADHM O=C(/C=C/C1CCCC1)Nc1cccc([O-])c1F ZINC000493348929 226193264 /nfs/dbraw/zinc/19/32/64/226193264.db2.gz GVGCSZQZCNYZTH-CMDGGOBGSA-N -1 3 249.285 3.216 20 0 BGADHM O=C(/C=C\C1CCCC1)Nc1cccc([O-])c1F ZINC000493348930 226192592 /nfs/dbraw/zinc/19/25/92/226192592.db2.gz GVGCSZQZCNYZTH-HJWRWDBZSA-N -1 3 249.285 3.216 20 0 BGADHM Cc1cccc([O-])c1NC(=O)/C=C\C1CCCC1 ZINC000493608604 226245888 /nfs/dbraw/zinc/24/58/88/226245888.db2.gz AETZKLQOQRYBKG-KTKRTIGZSA-N -1 3 245.322 3.386 20 0 BGADHM Cc1cccc([O-])c1NC(=O)/C=C/C1CCCC1 ZINC000493608605 226245812 /nfs/dbraw/zinc/24/58/12/226245812.db2.gz AETZKLQOQRYBKG-MDZDMXLPSA-N -1 3 245.322 3.386 20 0 BGADHM O=C(/C=C\C1CCCC1)Nc1ccccc1[O-] ZINC000493714163 226250686 /nfs/dbraw/zinc/25/06/86/226250686.db2.gz YYTDYNMZLDOVNF-KTKRTIGZSA-N -1 3 231.295 3.077 20 0 BGADHM Cc1cccc([O-])c1NC(=O)CC(C)(C)C1CC1 ZINC000497159148 385743621 /nfs/dbraw/zinc/74/36/21/385743621.db2.gz WQSLWELDGOCOMN-UHFFFAOYSA-N -1 3 247.338 3.465 20 0 BGADHM CCc1ccc([O-])c(C(=O)NC2CCCCC2)c1 ZINC000500411718 529691375 /nfs/dbraw/zinc/69/13/75/529691375.db2.gz UBIFZNGQKTVWHW-UHFFFAOYSA-N -1 3 247.338 3.017 20 0 BGADHM CC(C)(C)c1ccc(NC(=O)C2CCC2)c([O-])c1 ZINC000501950036 526780174 /nfs/dbraw/zinc/78/01/74/526780174.db2.gz QNVRUWJCIJKOOB-UHFFFAOYSA-N -1 3 247.338 3.428 20 0 BGADHM CCCC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000501950336 527955497 /nfs/dbraw/zinc/95/54/97/527955497.db2.gz UIFFAZNGPMCVON-UHFFFAOYSA-N -1 3 235.327 3.428 20 0 BGADHM CC(C)(C)c1ccc(NC(=O)CC2CC2)c([O-])c1 ZINC000502010353 526781012 /nfs/dbraw/zinc/78/10/12/526781012.db2.gz ROAZEZBJQYICMJ-UHFFFAOYSA-N -1 3 247.338 3.428 20 0 BGADHM CCCC[C@@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000503547753 528754818 /nfs/dbraw/zinc/75/48/18/528754818.db2.gz AFOGFIZSEFSTOZ-SECBINFHSA-N -1 3 239.290 3.296 20 0 BGADHM CCCC[C@H](C)C(=O)Nc1cc(F)ccc1[O-] ZINC000503547754 528885794 /nfs/dbraw/zinc/88/57/94/528885794.db2.gz AFOGFIZSEFSTOZ-VIFPVBQESA-N -1 3 239.290 3.296 20 0 BGADHM Cc1csc2ncnc([N-]c3nccs3)c12 ZINC000505746045 226359216 /nfs/dbraw/zinc/35/92/16/226359216.db2.gz RGAYOBYQCLRDQT-UHFFFAOYSA-N -1 3 248.336 3.200 20 0 BGADHM CC(C)C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000506246881 527535141 /nfs/dbraw/zinc/53/51/41/527535141.db2.gz GCGCMZWALXZHBG-UHFFFAOYSA-N -1 3 235.327 3.284 20 0 BGADHM CCCCN(CC)Cc1c(F)ccc([O-])c1F ZINC000506882130 528393404 /nfs/dbraw/zinc/39/34/04/528393404.db2.gz UVLDJCJSTKAGSR-UHFFFAOYSA-N -1 3 243.297 3.292 20 0 BGADHM CC(C)[C@@H](C)N(C)Cc1c(F)ccc([O-])c1F ZINC000507187653 528407244 /nfs/dbraw/zinc/40/72/44/528407244.db2.gz DAHPPOPRBVTACG-SECBINFHSA-N -1 3 243.297 3.147 20 0 BGADHM CC(C)[C@H](C)N(C)Cc1c(F)ccc([O-])c1F ZINC000507187654 528960017 /nfs/dbraw/zinc/96/00/17/528960017.db2.gz DAHPPOPRBVTACG-VIFPVBQESA-N -1 3 243.297 3.147 20 0 BGADHM CCCN(Cc1cccc([O-])c1Cl)C1CC1 ZINC000507210390 528141169 /nfs/dbraw/zinc/14/11/69/528141169.db2.gz JTTXXIBZJPDCDQ-UHFFFAOYSA-N -1 3 239.746 3.420 20 0 BGADHM CCN(Cc1c(F)ccc([O-])c1F)CC(C)C ZINC000507227157 528756727 /nfs/dbraw/zinc/75/67/27/528756727.db2.gz DEZQLLGUFWNUEC-UHFFFAOYSA-N -1 3 243.297 3.148 20 0 BGADHM CCC[C@@H](C)N(C)Cc1c(F)ccc([O-])c1F ZINC000507255080 528886937 /nfs/dbraw/zinc/88/69/37/528886937.db2.gz YHYQXVSOJKKTIC-SECBINFHSA-N -1 3 243.297 3.291 20 0 BGADHM CCC[C@H](C)N(C)Cc1c(F)ccc([O-])c1F ZINC000507255081 528047747 /nfs/dbraw/zinc/04/77/47/528047747.db2.gz YHYQXVSOJKKTIC-VIFPVBQESA-N -1 3 243.297 3.291 20 0 BGADHM CC[C@@H](C)CN(C)Cc1c(F)ccc([O-])c1F ZINC000507492569 529313589 /nfs/dbraw/zinc/31/35/89/529313589.db2.gz POQVHFHCGANFQC-SECBINFHSA-N -1 3 243.297 3.148 20 0 BGADHM CC[C@H](C)CN(C)Cc1c(F)ccc([O-])c1F ZINC000507492572 529650811 /nfs/dbraw/zinc/65/08/11/529650811.db2.gz POQVHFHCGANFQC-VIFPVBQESA-N -1 3 243.297 3.148 20 0 BGADHM CCC(CC)CNCc1c(F)ccc([O-])c1F ZINC000509776183 528761922 /nfs/dbraw/zinc/76/19/22/528761922.db2.gz XNLGMTGWEWDNMW-UHFFFAOYSA-N -1 3 243.297 3.196 20 0 BGADHM CC(C)[C@H](C)CNCc1c(F)ccc([O-])c1F ZINC000511187133 528949700 /nfs/dbraw/zinc/94/97/00/528949700.db2.gz AOKIGWHQJOVOKY-SECBINFHSA-N -1 3 243.297 3.052 20 0 BGADHM CC(C)[C@@H](C)CNCc1c(F)ccc([O-])c1F ZINC000511187134 528397940 /nfs/dbraw/zinc/39/79/40/528397940.db2.gz AOKIGWHQJOVOKY-VIFPVBQESA-N -1 3 243.297 3.052 20 0 BGADHM CC[C@@H]1C[C@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000516582713 388357725 /nfs/dbraw/zinc/35/77/25/388357725.db2.gz LLIBWAHLJJYSMZ-HTQZYQBOSA-N -1 3 239.702 3.030 20 0 BGADHM [O-]c1cccnc1CSc1ccccc1F ZINC000518296055 384916340 /nfs/dbraw/zinc/91/63/40/384916340.db2.gz YDPABYMHQPSUPT-UHFFFAOYSA-N -1 3 235.283 3.219 20 0 BGADHM COc1ccc(SCc2ncccc2[O-])cc1 ZINC000518674245 384173062 /nfs/dbraw/zinc/17/30/62/384173062.db2.gz LNFAAKHMVXSPPQ-UHFFFAOYSA-N -1 3 247.319 3.088 20 0 BGADHM CCc1cc(C(=O)N[C@H](C)C(C)(C)C)ccc1[O-] ZINC000519416514 386438907 /nfs/dbraw/zinc/43/89/07/386438907.db2.gz FTUWKPZPSWLAOA-SNVBAGLBSA-N -1 3 249.354 3.119 20 0 BGADHM CCc1ccc([O-])c(C(=O)Nc2ccsc2)c1 ZINC000525490412 517850765 /nfs/dbraw/zinc/85/07/65/517850765.db2.gz VTADAPISOLCVOD-UHFFFAOYSA-N -1 3 247.319 3.268 20 0 BGADHM CCc1ccc([O-])c(C(=O)N(C)C(C)(C)CC)c1 ZINC000527189534 387523650 /nfs/dbraw/zinc/52/36/50/387523650.db2.gz GXOFJTVCFQLYRN-UHFFFAOYSA-N -1 3 249.354 3.215 20 0 BGADHM CCc1cccc(C(=O)N(C)C(C)(C)CC)c1[O-] ZINC000527480270 387575892 /nfs/dbraw/zinc/57/58/92/387575892.db2.gz KSFATIJWBLPDNQ-UHFFFAOYSA-N -1 3 249.354 3.215 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2CCCC23CC3)c([O-])c1 ZINC000527658519 387664609 /nfs/dbraw/zinc/66/46/09/387664609.db2.gz HZEPAFWDZXJBIX-LLVKDONJSA-N -1 3 245.322 3.219 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CCCC23CC3)c([O-])c1 ZINC000527658521 387663638 /nfs/dbraw/zinc/66/36/38/387663638.db2.gz HZEPAFWDZXJBIX-NSHDSACASA-N -1 3 245.322 3.219 20 0 BGADHM O=C(Nc1cc(F)ccc1[O-])[C@@H]1CCCC12CC2 ZINC000528905586 323151677 /nfs/dbraw/zinc/15/16/77/323151677.db2.gz XIAHIVIYAJRCGR-JTQLQIEISA-N -1 3 249.285 3.050 20 0 BGADHM O=C(Nc1cc(F)ccc1[O-])[C@H]1CCCC12CC2 ZINC000528905587 323151609 /nfs/dbraw/zinc/15/16/09/323151609.db2.gz XIAHIVIYAJRCGR-SNVBAGLBSA-N -1 3 249.285 3.050 20 0 BGADHM O=C(Nc1cccc([O-])c1F)[C@H]1CCCC12CC2 ZINC000528921548 388583460 /nfs/dbraw/zinc/58/34/60/388583460.db2.gz YABUJZPOQZSOEA-SECBINFHSA-N -1 3 249.285 3.050 20 0 BGADHM O=C(Nc1cccc([O-])c1F)[C@@H]1CCCC12CC2 ZINC000528921550 388583664 /nfs/dbraw/zinc/58/36/64/388583664.db2.gz YABUJZPOQZSOEA-VIFPVBQESA-N -1 3 249.285 3.050 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCCC12CC2 ZINC000528951713 388584966 /nfs/dbraw/zinc/58/49/66/388584966.db2.gz QMTRWZCWEMEACA-LLVKDONJSA-N -1 3 245.322 3.219 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCCC12CC2 ZINC000528951714 262981780 /nfs/dbraw/zinc/98/17/80/262981780.db2.gz QMTRWZCWEMEACA-NSHDSACASA-N -1 3 245.322 3.219 20 0 BGADHM O=C(Nc1ccc([O-])cc1F)[C@@H]1CCCC12CC2 ZINC000528989678 324229231 /nfs/dbraw/zinc/22/92/31/324229231.db2.gz SYYJMWIZUNIRSE-JTQLQIEISA-N -1 3 249.285 3.050 20 0 BGADHM O=C(Nc1ccc([O-])cc1F)[C@H]1CCCC12CC2 ZINC000528989684 324228838 /nfs/dbraw/zinc/22/88/38/324228838.db2.gz SYYJMWIZUNIRSE-SNVBAGLBSA-N -1 3 249.285 3.050 20 0 BGADHM Cc1cocc1C(=O)[N-]c1c(C)noc1C1CC1 ZINC000529011015 324230897 /nfs/dbraw/zinc/23/08/97/324230897.db2.gz QUIJDAOGNFETNG-UHFFFAOYSA-N -1 3 246.266 3.014 20 0 BGADHM O=C([N-]OC1CCC1)Nc1ccc2occc2c1 ZINC000529287004 324269805 /nfs/dbraw/zinc/26/98/05/324269805.db2.gz MHNZVFWLZGZSQX-UHFFFAOYSA-N -1 3 246.266 3.038 20 0 BGADHM [O-]C(=NOC1CCC1)Nc1ccc2occc2c1 ZINC000529287004 324269801 /nfs/dbraw/zinc/26/98/01/324269801.db2.gz MHNZVFWLZGZSQX-UHFFFAOYSA-N -1 3 246.266 3.038 20 0 BGADHM CC1(C)CC(COc2ccc3c([O-])coc3c2)C1 ZINC000530173174 324506361 /nfs/dbraw/zinc/50/63/61/324506361.db2.gz MYXVCBURSHBJPE-UHFFFAOYSA-N -1 3 246.306 3.077 20 0 BGADHM Cc1ccc(-c2cnc(C3CC3)o2)c([O-])c1 ZINC000530250993 324560292 /nfs/dbraw/zinc/56/02/92/324560292.db2.gz NKFRUNJPFSPNDQ-UHFFFAOYSA-N -1 3 215.252 3.233 20 0 BGADHM CCc1cccc(C(=O)Nc2ccsc2)c1[O-] ZINC000530639371 385003460 /nfs/dbraw/zinc/00/34/60/385003460.db2.gz CGZFNUKJWHBYIS-UHFFFAOYSA-N -1 3 247.319 3.268 20 0 BGADHM CCc1cccc(C(=O)Nc2ccccc2)c1[O-] ZINC000530880470 322897146 /nfs/dbraw/zinc/89/71/46/322897146.db2.gz JZGYJCONFVENSZ-UHFFFAOYSA-N -1 3 241.290 3.207 20 0 BGADHM CCc1cccc(C(=O)NC2CCCCC2)c1[O-] ZINC000531118752 384626115 /nfs/dbraw/zinc/62/61/15/384626115.db2.gz YAMMFGFAQOBDDQ-UHFFFAOYSA-N -1 3 247.338 3.017 20 0 BGADHM CCCC1(C(=O)Nc2cccc([O-])c2F)CC1 ZINC000534209397 323114804 /nfs/dbraw/zinc/11/48/04/323114804.db2.gz SUNIRAHPJNOTPO-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM [O-]c1ccc(-c2nc3cc(F)ccc3s2)nc1 ZINC000534641533 323156616 /nfs/dbraw/zinc/15/66/16/323156616.db2.gz AFLYWKGUCQWZFD-UHFFFAOYSA-N -1 3 246.266 3.203 20 0 BGADHM CCCCCC(=O)Nc1cccc([O-])c1F ZINC000534945376 323162306 /nfs/dbraw/zinc/16/23/06/323162306.db2.gz KPXXUMHOLMWMRC-UHFFFAOYSA-N -1 3 225.263 3.050 20 0 BGADHM CCC(CC)CC(=O)Nc1cccc([O-])c1F ZINC000534947057 323162262 /nfs/dbraw/zinc/16/22/62/323162262.db2.gz VUFBFTCBZPDLQQ-UHFFFAOYSA-N -1 3 239.290 3.296 20 0 BGADHM Cc1ccc2sc(-c3ccc([O-])cn3)nc2c1 ZINC000535365969 323171347 /nfs/dbraw/zinc/17/13/47/323171347.db2.gz VOWFFZCALWXTJS-UHFFFAOYSA-N -1 3 242.303 3.372 20 0 BGADHM CCC(CC)[C@H](C)C(=O)Nc1ccccc1[O-] ZINC000536427266 322974961 /nfs/dbraw/zinc/97/49/61/322974961.db2.gz PZPJOMFHPPVFHT-JTQLQIEISA-N -1 3 235.327 3.403 20 0 BGADHM CCC(CC)[C@@H](C)C(=O)Nc1ccccc1[O-] ZINC000536427275 322974904 /nfs/dbraw/zinc/97/49/04/322974904.db2.gz PZPJOMFHPPVFHT-SNVBAGLBSA-N -1 3 235.327 3.403 20 0 BGADHM CCC[C@@H](C)CC(=O)Nc1cccc([O-])c1F ZINC000536465207 322975302 /nfs/dbraw/zinc/97/53/02/322975302.db2.gz YVPHAVZTHYDNHS-SECBINFHSA-N -1 3 239.290 3.296 20 0 BGADHM CCC[C@H](C)CC(=O)Nc1cccc([O-])c1F ZINC000536465211 384857098 /nfs/dbraw/zinc/85/70/98/384857098.db2.gz YVPHAVZTHYDNHS-VIFPVBQESA-N -1 3 239.290 3.296 20 0 BGADHM CCc1cccc(C(=O)N(C)[C@H](C)C(C)C)c1[O-] ZINC000536692557 323201073 /nfs/dbraw/zinc/20/10/73/323201073.db2.gz DWKBJMDJDYSFQL-LLVKDONJSA-N -1 3 249.354 3.071 20 0 BGADHM CCc1cccc(C(=O)N(C)[C@@H](C)C(C)C)c1[O-] ZINC000536692558 323201125 /nfs/dbraw/zinc/20/11/25/323201125.db2.gz DWKBJMDJDYSFQL-NSHDSACASA-N -1 3 249.354 3.071 20 0 BGADHM CCc1cccc(C(=O)NC2(CC)CCC2)c1[O-] ZINC000536725352 323202343 /nfs/dbraw/zinc/20/23/43/323202343.db2.gz FGIUGBGFZUURJA-UHFFFAOYSA-N -1 3 247.338 3.017 20 0 BGADHM CCc1ccc([O-])c(C(=O)NC2(CC)CCC2)c1 ZINC000536726689 323202355 /nfs/dbraw/zinc/20/23/55/323202355.db2.gz XVXDBYGENZFENH-UHFFFAOYSA-N -1 3 247.338 3.017 20 0 BGADHM CCc1cccc(C(=O)NC2(C)CCCC2)c1[O-] ZINC000537641778 324093794 /nfs/dbraw/zinc/09/37/94/324093794.db2.gz XGEVQHZCUNENNZ-UHFFFAOYSA-N -1 3 247.338 3.017 20 0 BGADHM CCCN(CCC)C(=O)c1cccc(CC)c1[O-] ZINC000537650747 324093928 /nfs/dbraw/zinc/09/39/28/324093928.db2.gz KMKXWOULNNYAQF-UHFFFAOYSA-N -1 3 249.354 3.217 20 0 BGADHM CCC[C@H](C)CC(=O)Nc1c(C)cccc1[O-] ZINC000537850293 324107701 /nfs/dbraw/zinc/10/77/01/324107701.db2.gz HCAKINKPBMJTQR-JTQLQIEISA-N -1 3 235.327 3.465 20 0 BGADHM CCC[C@@H](C)CC(=O)Nc1c(C)cccc1[O-] ZINC000537850299 324107392 /nfs/dbraw/zinc/10/73/92/324107392.db2.gz HCAKINKPBMJTQR-SNVBAGLBSA-N -1 3 235.327 3.465 20 0 BGADHM CCc1ccc([O-])c(C(=O)N(C)[C@H](C)C(C)C)c1 ZINC000538746842 388719201 /nfs/dbraw/zinc/71/92/01/388719201.db2.gz HAQQNEAORUKQLB-LLVKDONJSA-N -1 3 249.354 3.071 20 0 BGADHM CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)C(C)C)c1 ZINC000538746843 324754295 /nfs/dbraw/zinc/75/42/95/324754295.db2.gz HAQQNEAORUKQLB-NSHDSACASA-N -1 3 249.354 3.071 20 0 BGADHM CCC(CC)N(C(=O)c1ccccc1[O-])C1CC1 ZINC000539839748 324870090 /nfs/dbraw/zinc/87/00/90/324870090.db2.gz MANNJIJVKNORPJ-UHFFFAOYSA-N -1 3 247.338 3.185 20 0 BGADHM CCC[C@@H](C)N(C)C(=O)c1cccc(CC)c1[O-] ZINC000539860260 388785144 /nfs/dbraw/zinc/78/51/44/388785144.db2.gz GXCOOTHMDYHENE-LLVKDONJSA-N -1 3 249.354 3.215 20 0 BGADHM CCC[C@H](C)N(C)C(=O)c1cccc(CC)c1[O-] ZINC000539860292 324871912 /nfs/dbraw/zinc/87/19/12/324871912.db2.gz GXCOOTHMDYHENE-NSHDSACASA-N -1 3 249.354 3.215 20 0 BGADHM CCC(CC)N(C(=O)c1cccc([O-])c1)C1CC1 ZINC000540959341 324936015 /nfs/dbraw/zinc/93/60/15/324936015.db2.gz LVCUROGFPHUPRF-UHFFFAOYSA-N -1 3 247.338 3.185 20 0 BGADHM CCc1cccc(-c2nc(C(C)(C)C)no2)c1[O-] ZINC000541777541 324979415 /nfs/dbraw/zinc/97/94/15/324979415.db2.gz HCBJMHMHWYMHLA-UHFFFAOYSA-N -1 3 246.310 3.302 20 0 BGADHM CCc1cccc(-c2nc(CC(C)C)no2)c1[O-] ZINC000544922310 325166554 /nfs/dbraw/zinc/16/65/54/325166554.db2.gz STTSWZGAKYMLKM-UHFFFAOYSA-N -1 3 246.310 3.203 20 0 BGADHM Cc1ccc(-c2nc([C@@H]3C[C@@H]3C)no2)c([O-])c1C ZINC000545773289 325237465 /nfs/dbraw/zinc/23/74/65/325237465.db2.gz AQSAUQDOTCAAAT-GZMMTYOYSA-N -1 3 244.294 3.182 20 0 BGADHM Cc1ccc(-c2nc([C@H]3C[C@H]3C)no2)c([O-])c1C ZINC000545773290 325237534 /nfs/dbraw/zinc/23/75/34/325237534.db2.gz AQSAUQDOTCAAAT-KCJUWKMLSA-N -1 3 244.294 3.182 20 0 BGADHM Cc1ccc(-c2nc([C@H]3C[C@@H]3C)no2)c([O-])c1C ZINC000545773291 325237600 /nfs/dbraw/zinc/23/76/00/325237600.db2.gz AQSAUQDOTCAAAT-KWQFWETISA-N -1 3 244.294 3.182 20 0 BGADHM Cc1ccc(-c2nc([C@@H]3C[C@H]3C)no2)c([O-])c1C ZINC000545773292 325237459 /nfs/dbraw/zinc/23/74/59/325237459.db2.gz AQSAUQDOTCAAAT-LDYMZIIASA-N -1 3 244.294 3.182 20 0 BGADHM CCc1cccc(-c2nc(C(C)C)no2)c1[O-] ZINC000546266670 325275926 /nfs/dbraw/zinc/27/59/26/325275926.db2.gz BTOAEDSPFCFRBK-UHFFFAOYSA-N -1 3 232.283 3.128 20 0 BGADHM CCc1cccc(-c2nc([C@@H]3C[C@@H]3C)no2)c1[O-] ZINC000547183788 325330504 /nfs/dbraw/zinc/33/05/04/325330504.db2.gz UUDAKSLRZJOBAS-GZMMTYOYSA-N -1 3 244.294 3.128 20 0 BGADHM CCc1cccc(-c2nc([C@H]3C[C@H]3C)no2)c1[O-] ZINC000547183789 325330653 /nfs/dbraw/zinc/33/06/53/325330653.db2.gz UUDAKSLRZJOBAS-KCJUWKMLSA-N -1 3 244.294 3.128 20 0 BGADHM CCc1cccc(-c2nc([C@H]3C[C@@H]3C)no2)c1[O-] ZINC000547183790 325330710 /nfs/dbraw/zinc/33/07/10/325330710.db2.gz UUDAKSLRZJOBAS-KWQFWETISA-N -1 3 244.294 3.128 20 0 BGADHM CCc1cccc(-c2nc([C@@H]3C[C@H]3C)no2)c1[O-] ZINC000547183791 323175280 /nfs/dbraw/zinc/17/52/80/323175280.db2.gz UUDAKSLRZJOBAS-LDYMZIIASA-N -1 3 244.294 3.128 20 0 BGADHM Cc1ccc([O-])c(NC(=O)C2(C)CCCCC2)n1 ZINC000548734181 388555888 /nfs/dbraw/zinc/55/58/88/388555888.db2.gz RYGBBOGOMAJZJQ-UHFFFAOYSA-N -1 3 248.326 3.005 20 0 BGADHM CCCC[C@@H](C)C(=O)Nc1cccc([O-])c1F ZINC000548871325 388566830 /nfs/dbraw/zinc/56/68/30/388566830.db2.gz DUVKRKBDMQSDKW-SECBINFHSA-N -1 3 239.290 3.296 20 0 BGADHM CCCC[C@H](C)C(=O)Nc1cccc([O-])c1F ZINC000548871326 388566963 /nfs/dbraw/zinc/56/69/63/388566963.db2.gz DUVKRKBDMQSDKW-VIFPVBQESA-N -1 3 239.290 3.296 20 0 BGADHM Cc1cc(C)cc(C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000549621740 388585911 /nfs/dbraw/zinc/58/59/11/388585911.db2.gz SUSAWYQGWHIQPX-PLNGDYQASA-N -1 3 240.306 3.278 20 0 BGADHM Cc1cc(C)cc(C=Cc2nc(C)cc(=O)[n-]2)c1 ZINC000549621741 325510537 /nfs/dbraw/zinc/51/05/37/325510537.db2.gz SUSAWYQGWHIQPX-SNAWJCMRSA-N -1 3 240.306 3.278 20 0 BGADHM CC[C@@H](C)CCC(=O)Nc1cccc([O-])c1F ZINC000552132705 325599251 /nfs/dbraw/zinc/59/92/51/325599251.db2.gz GCMZBEVWRNBVKZ-SECBINFHSA-N -1 3 239.290 3.296 20 0 BGADHM CC[C@H](C)CCC(=O)Nc1cccc([O-])c1F ZINC000552132707 325599274 /nfs/dbraw/zinc/59/92/74/325599274.db2.gz GCMZBEVWRNBVKZ-VIFPVBQESA-N -1 3 239.290 3.296 20 0 BGADHM O=C(Nc1c([O-])cccc1Cl)C1CCCC1 ZINC000552434286 388707747 /nfs/dbraw/zinc/70/77/47/388707747.db2.gz HXYRHJGDRQZCPY-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM CCC[C@@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000552435656 325636565 /nfs/dbraw/zinc/63/65/65/325636565.db2.gz SPLZWFVWKJLTGK-MRVPVSSYSA-N -1 3 241.718 3.420 20 0 BGADHM CCC[C@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000552435657 325636552 /nfs/dbraw/zinc/63/65/52/325636552.db2.gz SPLZWFVWKJLTGK-QMMMGPOBSA-N -1 3 241.718 3.420 20 0 BGADHM CC1(C)C[C@@H]1C(=O)Nc1c([O-])cccc1Cl ZINC000552782344 388737057 /nfs/dbraw/zinc/73/70/57/388737057.db2.gz HRLUSUQXSXMQIE-SSDOTTSWSA-N -1 3 239.702 3.030 20 0 BGADHM CCN(C(=O)c1cccc(C)c1[O-])[C@H](C)C(C)C ZINC000553071029 388746522 /nfs/dbraw/zinc/74/65/22/388746522.db2.gz GXNYUAMFGXCHOD-GFCCVEGCSA-N -1 3 249.354 3.207 20 0 BGADHM CCN(C(=O)c1cccc(C)c1[O-])[C@@H](C)C(C)C ZINC000553071034 343322296 /nfs/dbraw/zinc/32/22/96/343322296.db2.gz GXNYUAMFGXCHOD-LBPRGKRZSA-N -1 3 249.354 3.207 20 0 BGADHM CCc1cc(C(=O)NCCCC(C)C)ccc1[O-] ZINC000553264336 325683903 /nfs/dbraw/zinc/68/39/03/325683903.db2.gz DPSAYBIROPPZRB-UHFFFAOYSA-N -1 3 249.354 3.121 20 0 BGADHM CCc1ccc(C=Cc2nc(C)cc(=O)[n-]2)s1 ZINC000554391819 388813953 /nfs/dbraw/zinc/81/39/53/388813953.db2.gz KYJVNWXDQYNWLY-SREVYHEPSA-N -1 3 246.335 3.285 20 0 BGADHM CCc1ccc(C=Cc2nc(C)cc(=O)[n-]2)s1 ZINC000554391820 388813194 /nfs/dbraw/zinc/81/31/94/388813194.db2.gz KYJVNWXDQYNWLY-VOTSOKGWSA-N -1 3 246.335 3.285 20 0 BGADHM CN(CCC1CCCCC1)Cc1ncccc1[O-] ZINC000554855282 388834068 /nfs/dbraw/zinc/83/40/68/388834068.db2.gz OKBPPDGYSOYSLF-UHFFFAOYSA-N -1 3 248.370 3.189 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Cl)cc2)n1 ZINC000555470170 325758261 /nfs/dbraw/zinc/75/82/61/325758261.db2.gz VSNWOJQIGXFLGR-DAXSKMNVSA-N -1 3 246.697 3.314 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(Cl)cc2)n1 ZINC000555470180 325758253 /nfs/dbraw/zinc/75/82/53/325758253.db2.gz VSNWOJQIGXFLGR-QPJJXVBHSA-N -1 3 246.697 3.314 20 0 BGADHM CCc1cc(C(=O)NC(C)(C)C(C)C)ccc1[O-] ZINC000555504903 325758841 /nfs/dbraw/zinc/75/88/41/325758841.db2.gz FYNPQAASINLMOA-UHFFFAOYSA-N -1 3 249.354 3.119 20 0 BGADHM CCC(CC)C(=O)Nc1c([O-])cccc1Cl ZINC000557182244 384864700 /nfs/dbraw/zinc/86/47/00/384864700.db2.gz MFRBNNHNEOQZCQ-UHFFFAOYSA-N -1 3 241.718 3.420 20 0 BGADHM O=C(CC1CCC1)Nc1c([O-])cccc1Cl ZINC000557182546 322934898 /nfs/dbraw/zinc/93/48/98/322934898.db2.gz WNXJRBGGLKSTNC-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM CCCCC(=O)Nc1c([O-])cccc1Cl ZINC000557406239 322936925 /nfs/dbraw/zinc/93/69/25/322936925.db2.gz CLLKHHYGALYJRR-UHFFFAOYSA-N -1 3 227.691 3.174 20 0 BGADHM CCc1cc(C(=O)NC2CCCCC2)ccc1[O-] ZINC000557420637 384936534 /nfs/dbraw/zinc/93/65/34/384936534.db2.gz DERXEYRFIMZCAC-UHFFFAOYSA-N -1 3 247.338 3.017 20 0 BGADHM CC(C)(C)C(C)(C)C(=O)Nc1ccccc1[O-] ZINC000557465389 384956817 /nfs/dbraw/zinc/95/68/17/384956817.db2.gz MROVSAWFUDCYBS-UHFFFAOYSA-N -1 3 235.327 3.403 20 0 BGADHM CCN(C(=O)c1cc(C)ccc1[O-])[C@H](C)C(C)C ZINC000557580534 322939674 /nfs/dbraw/zinc/93/96/74/322939674.db2.gz AVKWEKBLDZIHFI-GFCCVEGCSA-N -1 3 249.354 3.207 20 0 BGADHM CCN(C(=O)c1cc(C)ccc1[O-])[C@@H](C)C(C)C ZINC000557580535 322939685 /nfs/dbraw/zinc/93/96/85/322939685.db2.gz AVKWEKBLDZIHFI-LBPRGKRZSA-N -1 3 249.354 3.207 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(C)c(C)c2)n1 ZINC000559192572 322959596 /nfs/dbraw/zinc/95/95/96/322959596.db2.gz BLCKJTWVBNYVTO-SREVYHEPSA-N -1 3 240.306 3.278 20 0 BGADHM Cc1cc(=O)[n-]c(C=Cc2ccc(C)c(C)c2)n1 ZINC000559192573 384627926 /nfs/dbraw/zinc/62/79/26/384627926.db2.gz BLCKJTWVBNYVTO-VOTSOKGWSA-N -1 3 240.306 3.278 20 0 BGADHM CC(C)CCCC(=O)Nc1cccc([O-])c1F ZINC000560221642 322984220 /nfs/dbraw/zinc/98/42/20/322984220.db2.gz SBEQDDYTOYPHIS-UHFFFAOYSA-N -1 3 239.290 3.296 20 0 BGADHM CC[C@@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000560819868 322992522 /nfs/dbraw/zinc/99/25/22/322992522.db2.gz KSCZWQUGYVSMFK-SSDOTTSWSA-N -1 3 227.691 3.030 20 0 BGADHM CC[C@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000560819880 384370414 /nfs/dbraw/zinc/37/04/14/384370414.db2.gz KSCZWQUGYVSMFK-ZETCQYMHSA-N -1 3 227.691 3.030 20 0 BGADHM CC(C)[C@@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000560822270 322992667 /nfs/dbraw/zinc/99/26/67/322992667.db2.gz HPVWYLMSGVEDLK-MRVPVSSYSA-N -1 3 241.718 3.276 20 0 BGADHM CC(C)[C@H](C)C(=O)Nc1c([O-])cccc1Cl ZINC000560822271 384373506 /nfs/dbraw/zinc/37/35/06/384373506.db2.gz HPVWYLMSGVEDLK-QMMMGPOBSA-N -1 3 241.718 3.276 20 0 BGADHM CC[C@@H](NCc1ncccc1[O-])c1ccccc1 ZINC000560905145 384404135 /nfs/dbraw/zinc/40/41/35/384404135.db2.gz SCBIZEWVBWOXGW-CYBMUJFWSA-N -1 3 242.322 3.028 20 0 BGADHM CCc1cc(C(=O)Nc2ccccc2)ccc1[O-] ZINC000561051171 384463797 /nfs/dbraw/zinc/46/37/97/384463797.db2.gz DFAODWQTDVRDKE-UHFFFAOYSA-N -1 3 241.290 3.207 20 0 BGADHM CCN(C(=O)c1ccc(C)cc1[O-])[C@H](C)C(C)C ZINC000561199113 488073306 /nfs/dbraw/zinc/07/33/06/488073306.db2.gz HCNBBZJDOGVHBQ-GFCCVEGCSA-N -1 3 249.354 3.207 20 0 BGADHM CCN(C(=O)c1ccc(C)cc1[O-])[C@@H](C)C(C)C ZINC000561199114 488073341 /nfs/dbraw/zinc/07/33/41/488073341.db2.gz HCNBBZJDOGVHBQ-LBPRGKRZSA-N -1 3 249.354 3.207 20 0 BGADHM CCCN(C(=O)c1ccc(C)c(C)c1[O-])C(C)C ZINC000563407886 323122465 /nfs/dbraw/zinc/12/24/65/323122465.db2.gz LOEPVPUTPJPNJQ-UHFFFAOYSA-N -1 3 249.354 3.270 20 0 BGADHM C[C@H]1CC[C@H](C(=O)Nc2ccccc2[O-])CC1 ZINC000565071614 325853784 /nfs/dbraw/zinc/85/37/84/325853784.db2.gz VMXVKSPFTGEESL-XYPYZODXSA-N -1 3 233.311 3.157 20 0 BGADHM CCCN(C(=O)c1cc(CC)ccc1[O-])C(C)C ZINC000565207731 325875016 /nfs/dbraw/zinc/87/50/16/325875016.db2.gz AHZBOVOUAFRFRJ-UHFFFAOYSA-N -1 3 249.354 3.215 20 0 BGADHM CC(C)[C@@H](C)SCc1ncccc1[O-] ZINC000565241083 388931321 /nfs/dbraw/zinc/93/13/21/388931321.db2.gz PPWQNKPWVAJNMP-SECBINFHSA-N -1 3 211.330 3.065 20 0 BGADHM CC(C)[C@H](C)SCc1ncccc1[O-] ZINC000565241084 388930663 /nfs/dbraw/zinc/93/06/63/388930663.db2.gz PPWQNKPWVAJNMP-VIFPVBQESA-N -1 3 211.330 3.065 20 0 BGADHM C[C@@H]1C[C@@H]1CC(=O)Nc1c([O-])cccc1Cl ZINC000565666579 388961819 /nfs/dbraw/zinc/96/18/19/388961819.db2.gz LKQDMKIOYZXDKE-HTQZYQBOSA-N -1 3 239.702 3.030 20 0 BGADHM C[C@H]1C[C@@H]1CC(=O)Nc1c([O-])cccc1Cl ZINC000565666585 388961793 /nfs/dbraw/zinc/96/17/93/388961793.db2.gz LKQDMKIOYZXDKE-JGVFFNPUSA-N -1 3 239.702 3.030 20 0 BGADHM C[C@@H]1C[C@H]1CC(=O)Nc1c([O-])cccc1Cl ZINC000565666586 388962070 /nfs/dbraw/zinc/96/20/70/388962070.db2.gz LKQDMKIOYZXDKE-SFYZADRCSA-N -1 3 239.702 3.030 20 0 BGADHM C[C@H]1C[C@H]1CC(=O)Nc1c([O-])cccc1Cl ZINC000565666587 388962093 /nfs/dbraw/zinc/96/20/93/388962093.db2.gz LKQDMKIOYZXDKE-YUMQZZPRSA-N -1 3 239.702 3.030 20 0 BGADHM CC1=C(C)C[C@H](C(=O)Nc2ccccc2[O-])CC1 ZINC000566270363 326026845 /nfs/dbraw/zinc/02/68/45/326026845.db2.gz JKARSNFSLBMGCY-GFCCVEGCSA-N -1 3 245.322 3.467 20 0 BGADHM CC1=C(C)C[C@@H](C(=O)Nc2ccccc2[O-])CC1 ZINC000566270368 326027072 /nfs/dbraw/zinc/02/70/72/326027072.db2.gz JKARSNFSLBMGCY-LBPRGKRZSA-N -1 3 245.322 3.467 20 0 BGADHM CC(F)(F)CC(=O)Nc1c([O-])cccc1Cl ZINC000566457625 326050479 /nfs/dbraw/zinc/05/04/79/326050479.db2.gz UETIDKXWQNSSQD-UHFFFAOYSA-N -1 3 249.644 3.029 20 0 BGADHM CCCN(C(=O)c1ccc([O-])c(CC)c1)C(C)C ZINC000567751187 326255341 /nfs/dbraw/zinc/25/53/41/326255341.db2.gz UYFQHJVWUQURFB-UHFFFAOYSA-N -1 3 249.354 3.215 20 0 BGADHM CCC(CC)SCc1ncccc1[O-] ZINC000568271108 326338450 /nfs/dbraw/zinc/33/84/50/326338450.db2.gz WHCABVMQRVPFQL-UHFFFAOYSA-N -1 3 211.330 3.209 20 0 BGADHM CCc1ccc(-c2nc([C@@H]3C[C@@H]3C)no2)c([O-])c1 ZINC000568326560 326344910 /nfs/dbraw/zinc/34/49/10/326344910.db2.gz JFRLPOMVTSNTJB-GZMMTYOYSA-N -1 3 244.294 3.128 20 0 BGADHM CCc1ccc(-c2nc([C@H]3C[C@H]3C)no2)c([O-])c1 ZINC000568326561 326344956 /nfs/dbraw/zinc/34/49/56/326344956.db2.gz JFRLPOMVTSNTJB-KCJUWKMLSA-N -1 3 244.294 3.128 20 0 BGADHM CCc1ccc(-c2nc([C@H]3C[C@@H]3C)no2)c([O-])c1 ZINC000568326562 326344905 /nfs/dbraw/zinc/34/49/05/326344905.db2.gz JFRLPOMVTSNTJB-KWQFWETISA-N -1 3 244.294 3.128 20 0 BGADHM CCc1ccc(-c2nc([C@@H]3C[C@H]3C)no2)c([O-])c1 ZINC000568326563 326344901 /nfs/dbraw/zinc/34/49/01/326344901.db2.gz JFRLPOMVTSNTJB-LDYMZIIASA-N -1 3 244.294 3.128 20 0 BGADHM CC(C)CCC(=O)Nc1c([O-])cccc1Cl ZINC000568979897 326384399 /nfs/dbraw/zinc/38/43/99/326384399.db2.gz RZXHJVUWYUOPLJ-UHFFFAOYSA-N -1 3 241.718 3.420 20 0 BGADHM CC(C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000569281048 326398639 /nfs/dbraw/zinc/39/86/39/326398639.db2.gz WSCYCOQWTQJNEK-UHFFFAOYSA-N -1 3 243.715 3.448 20 0 BGADHM [O-]c1ccc(-c2noc(C=C3CCCC3)n2)cc1 ZINC000570116165 323050390 /nfs/dbraw/zinc/05/03/90/323050390.db2.gz VZKZNDHXGFQXAM-UHFFFAOYSA-N -1 3 242.278 3.400 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2CC[C@H](C)CC2)c([O-])c1 ZINC000570215249 323053438 /nfs/dbraw/zinc/05/34/38/323053438.db2.gz FIJOVJTUPNASOT-UMSPYCQHSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc(SCc2ncccc2[O-])c1 ZINC000571009500 323103333 /nfs/dbraw/zinc/10/33/33/323103333.db2.gz UTHAGZJOBSMLJZ-UHFFFAOYSA-N -1 3 231.320 3.388 20 0 BGADHM CC[C@H](NCc1ncccc1[O-])c1ccccc1 ZINC000571053966 323105609 /nfs/dbraw/zinc/10/56/09/323105609.db2.gz SCBIZEWVBWOXGW-ZDUSSCGKSA-N -1 3 242.322 3.028 20 0 BGADHM CCc1ccc(-c2nc(C(C)C)no2)c([O-])c1 ZINC000571323884 323141312 /nfs/dbraw/zinc/14/13/12/323141312.db2.gz SHBXHUMNHYFKTJ-UHFFFAOYSA-N -1 3 232.283 3.128 20 0 BGADHM O=C(Nc1cc(F)ccc1[O-])C1CC2(CCC2)C1 ZINC000571406818 323143789 /nfs/dbraw/zinc/14/37/89/323143789.db2.gz QLDLPAWTRJVRNG-UHFFFAOYSA-N -1 3 249.285 3.050 20 0 BGADHM O=C(Nc1c([O-])cccc1Cl)C1=CCCC1 ZINC000571579270 323148380 /nfs/dbraw/zinc/14/83/80/323148380.db2.gz CYKSHTSCTRNWRQ-UHFFFAOYSA-N -1 3 237.686 3.094 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CC[C@H](C)CC1 ZINC000571808594 387174028 /nfs/dbraw/zinc/17/40/28/387174028.db2.gz UTNXCXKCUHFZOS-UMSPYCQHSA-N -1 3 247.338 3.465 20 0 BGADHM CC1(CC(=O)Nc2c([O-])cccc2Cl)CC1 ZINC000572134176 323549096 /nfs/dbraw/zinc/54/90/96/323549096.db2.gz WQANWVHKTHJCFS-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCC2)c([O-])c1 ZINC000572368920 398135614 /nfs/dbraw/zinc/13/56/14/398135614.db2.gz NBUGRMSUJVJMFM-NWDGAFQWSA-N -1 3 245.322 3.075 20 0 BGADHM CCCN(C(=O)c1cccc(CC)c1[O-])C(C)C ZINC000572780925 388375455 /nfs/dbraw/zinc/37/54/55/388375455.db2.gz YUUOMIHCRLFJBJ-UHFFFAOYSA-N -1 3 249.354 3.215 20 0 BGADHM CCCN(Cc1c(F)ccc([O-])c1F)C(C)C ZINC000572986007 323040098 /nfs/dbraw/zinc/04/00/98/323040098.db2.gz YGDWZBNXWYALNT-UHFFFAOYSA-N -1 3 243.297 3.291 20 0 BGADHM C[C@@H](c1cccs1)N(C)Cc1ncccc1[O-] ZINC000573366631 364810455 /nfs/dbraw/zinc/81/04/55/364810455.db2.gz RXWGHKZSXDPRBO-JTQLQIEISA-N -1 3 248.351 3.042 20 0 BGADHM C[C@H](c1cccs1)N(C)Cc1ncccc1[O-] ZINC000573366632 364810214 /nfs/dbraw/zinc/81/02/14/364810214.db2.gz RXWGHKZSXDPRBO-SNVBAGLBSA-N -1 3 248.351 3.042 20 0 BGADHM C[C@@H](C(=O)Nc1c([O-])cccc1Cl)C1CC1 ZINC000573741347 364906409 /nfs/dbraw/zinc/90/64/09/364906409.db2.gz MIYCJSUYDZNLJC-SSDOTTSWSA-N -1 3 239.702 3.030 20 0 BGADHM C[C@H](C(=O)Nc1c([O-])cccc1Cl)C1CC1 ZINC000573741354 364906753 /nfs/dbraw/zinc/90/67/53/364906753.db2.gz MIYCJSUYDZNLJC-ZETCQYMHSA-N -1 3 239.702 3.030 20 0 BGADHM COc1ccccc1SCc1ncccc1[O-] ZINC000573784206 364914581 /nfs/dbraw/zinc/91/45/81/364914581.db2.gz BEHZVBXKBPFYBT-UHFFFAOYSA-N -1 3 247.319 3.088 20 0 BGADHM CC[C@@H](C)CC(=O)Nc1c([O-])cccc1Cl ZINC000573944242 364952105 /nfs/dbraw/zinc/95/21/05/364952105.db2.gz UQCHQPKFGHIPSL-MRVPVSSYSA-N -1 3 241.718 3.420 20 0 BGADHM CC[C@H](C)CC(=O)Nc1c([O-])cccc1Cl ZINC000573944245 364952397 /nfs/dbraw/zinc/95/23/97/364952397.db2.gz UQCHQPKFGHIPSL-QMMMGPOBSA-N -1 3 241.718 3.420 20 0 BGADHM CCN(C(=O)c1ccc([O-])c(C)c1)[C@H](C)C(C)C ZINC000574412447 365058263 /nfs/dbraw/zinc/05/82/63/365058263.db2.gz BKPUIQAOFSQDFS-GFCCVEGCSA-N -1 3 249.354 3.207 20 0 BGADHM CCN(C(=O)c1ccc([O-])c(C)c1)[C@@H](C)C(C)C ZINC000574412449 365057700 /nfs/dbraw/zinc/05/77/00/365057700.db2.gz BKPUIQAOFSQDFS-LBPRGKRZSA-N -1 3 249.354 3.207 20 0 BGADHM Cc1ccc(-c2nc(C3(C)CC3)no2)c([O-])c1C ZINC000574643839 365111009 /nfs/dbraw/zinc/11/10/09/365111009.db2.gz ZCLPJIQKRHXVGQ-UHFFFAOYSA-N -1 3 244.294 3.111 20 0 BGADHM O=C(CCC1CC1)Nc1c([O-])cccc1Cl ZINC000574743870 365132903 /nfs/dbraw/zinc/13/29/03/365132903.db2.gz AVSVQMPCZAGNTA-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM [O-]c1cccnc1CSc1ccc(F)cc1 ZINC000575978513 365433095 /nfs/dbraw/zinc/43/30/95/365433095.db2.gz MHBLJQOCNADJCS-UHFFFAOYSA-N -1 3 235.283 3.219 20 0 BGADHM CC[C@@H](C)CSCc1ncccc1[O-] ZINC000576003974 365445038 /nfs/dbraw/zinc/44/50/38/365445038.db2.gz JQFURWVXSJSHJU-SECBINFHSA-N -1 3 211.330 3.067 20 0 BGADHM CC[C@H](C)CSCc1ncccc1[O-] ZINC000576003975 365445099 /nfs/dbraw/zinc/44/50/99/365445099.db2.gz JQFURWVXSJSHJU-VIFPVBQESA-N -1 3 211.330 3.067 20 0 BGADHM Cc1ccc(SCc2ncccc2[O-])cc1 ZINC000577461535 365957363 /nfs/dbraw/zinc/95/73/63/365957363.db2.gz AKXBGMQJSNWPTN-UHFFFAOYSA-N -1 3 231.320 3.388 20 0 BGADHM Cc1ccccc1SCc1ncccc1[O-] ZINC000578421088 366563847 /nfs/dbraw/zinc/56/38/47/366563847.db2.gz QILZWLDYJPCXKJ-UHFFFAOYSA-N -1 3 231.320 3.388 20 0 BGADHM CCCCCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000578458967 366574746 /nfs/dbraw/zinc/57/47/46/366574746.db2.gz UBCSEHLICNGBIR-UHFFFAOYSA-N -1 3 249.310 3.114 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000578538834 366594708 /nfs/dbraw/zinc/59/47/08/366594708.db2.gz GMJCVLDINYPTAD-NWDGAFQWSA-N -1 3 245.322 3.075 20 0 BGADHM [O-]c1cccnc1CSC1CCCCC1 ZINC000579142375 366724301 /nfs/dbraw/zinc/72/43/01/366724301.db2.gz BPHHMIQWVVAIIU-UHFFFAOYSA-N -1 3 223.341 3.353 20 0 BGADHM CC(C)(C)CC(=O)Nc1c([O-])cccc1Cl ZINC000579219152 366735227 /nfs/dbraw/zinc/73/52/27/366735227.db2.gz WVWBIAMNOIDIPE-UHFFFAOYSA-N -1 3 241.718 3.420 20 0 BGADHM CCc1cccc(-c2nc(C3(C)CC3)no2)c1[O-] ZINC000579918445 367079959 /nfs/dbraw/zinc/07/99/59/367079959.db2.gz WVTYUGFVVXKSKQ-UHFFFAOYSA-N -1 3 244.294 3.056 20 0 BGADHM Cc1ccc(NC(=O)C2CC3(CCC3)C2)c([O-])c1 ZINC000580195118 346651494 /nfs/dbraw/zinc/65/14/94/346651494.db2.gz OFUZFISUYSPSSA-UHFFFAOYSA-N -1 3 245.322 3.219 20 0 BGADHM CC(C)(C)CSCc1ncccc1[O-] ZINC000580272516 346818504 /nfs/dbraw/zinc/81/85/04/346818504.db2.gz KGQGWHQSCUDUKG-UHFFFAOYSA-N -1 3 211.330 3.067 20 0 BGADHM CCCCN(C)[C@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000580838445 367183586 /nfs/dbraw/zinc/18/35/86/367183586.db2.gz JKBLLYXCQRNISF-SECBINFHSA-N -1 3 239.315 3.079 20 0 BGADHM CCCCN(C)[C@@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000580838446 367183997 /nfs/dbraw/zinc/18/39/97/367183997.db2.gz JKBLLYXCQRNISF-VIFPVBQESA-N -1 3 239.315 3.079 20 0 BGADHM Cc1ccc([O-])c(NC(=O)CC2(C)CCCC2)n1 ZINC000581337721 367356341 /nfs/dbraw/zinc/35/63/41/367356341.db2.gz XMAKZJGVCYCSSZ-UHFFFAOYSA-N -1 3 248.326 3.005 20 0 BGADHM [O-]c1cccnc1CSCc1ccccc1 ZINC000581764470 367817996 /nfs/dbraw/zinc/81/79/96/367817996.db2.gz UJGXIGIFRYCGCP-UHFFFAOYSA-N -1 3 231.320 3.221 20 0 BGADHM CCCCCSCc1ncccc1[O-] ZINC000582073979 347176149 /nfs/dbraw/zinc/17/61/49/347176149.db2.gz WYTFEHOZQULSDB-UHFFFAOYSA-N -1 3 211.330 3.211 20 0 BGADHM CCc1cccc(C(=O)NCCC=C(C)C)c1[O-] ZINC000583540306 355425306 /nfs/dbraw/zinc/42/53/06/355425306.db2.gz YFORQDPUOWHXGK-UHFFFAOYSA-N -1 3 247.338 3.041 20 0 BGADHM COc1cccc(SCc2ncccc2[O-])c1 ZINC000583850525 357973093 /nfs/dbraw/zinc/97/30/93/357973093.db2.gz VWVXFJZXDYLCIR-UHFFFAOYSA-N -1 3 247.319 3.088 20 0 BGADHM CC(C)CC(=O)Nc1c([O-])cccc1Cl ZINC000583863196 358035377 /nfs/dbraw/zinc/03/53/77/358035377.db2.gz NIRRRULWJOOFTP-UHFFFAOYSA-N -1 3 227.691 3.030 20 0 BGADHM [O-]c1cccnc1CSc1cccs1 ZINC000583910085 342679646 /nfs/dbraw/zinc/67/96/46/342679646.db2.gz PBKFEBIFZPYWMW-UHFFFAOYSA-N -1 3 223.322 3.141 20 0 BGADHM CCCN(C(=O)c1ccc(CC)cc1[O-])C(C)C ZINC000584301479 344439381 /nfs/dbraw/zinc/43/93/81/344439381.db2.gz VMECASJXLIAICP-UHFFFAOYSA-N -1 3 249.354 3.215 20 0 BGADHM CCc1ccc([O-])c(C(=O)N(C)CC(C)(C)C)c1 ZINC000588928986 344217948 /nfs/dbraw/zinc/21/79/48/344217948.db2.gz WHIMAOOPPWPBSQ-UHFFFAOYSA-N -1 3 249.354 3.073 20 0 BGADHM CCSCc1cc([O-])ccc1Cl ZINC000600620613 344341287 /nfs/dbraw/zinc/34/12/87/344341287.db2.gz YXSZEISPFRZREK-UHFFFAOYSA-N -1 3 202.706 3.299 20 0 BGADHM CCOCCSCc1cc([O-])ccc1Cl ZINC000600620867 344341046 /nfs/dbraw/zinc/34/10/46/344341046.db2.gz KENFOSGOPHGFLF-UHFFFAOYSA-N -1 3 246.759 3.315 20 0 BGADHM COC[C@@H](C)SCc1cc([O-])ccc1Cl ZINC000600624375 344342646 /nfs/dbraw/zinc/34/26/46/344342646.db2.gz XCTXILBAPIODNN-MRVPVSSYSA-N -1 3 246.759 3.314 20 0 BGADHM COC[C@H](C)SCc1cc([O-])ccc1Cl ZINC000600624376 344343107 /nfs/dbraw/zinc/34/31/07/344343107.db2.gz XCTXILBAPIODNN-QMMMGPOBSA-N -1 3 246.759 3.314 20 0 BGADHM CO[C@H](C)CSCc1cc([O-])ccc1Cl ZINC000600626274 344343564 /nfs/dbraw/zinc/34/35/64/344343564.db2.gz RTCKOCVWEHAZQV-MRVPVSSYSA-N -1 3 246.759 3.314 20 0 BGADHM CO[C@@H](C)CSCc1cc([O-])ccc1Cl ZINC000600626276 344343386 /nfs/dbraw/zinc/34/33/86/344343386.db2.gz RTCKOCVWEHAZQV-QMMMGPOBSA-N -1 3 246.759 3.314 20 0 BGADHM COCCCSCc1cc([O-])ccc1Cl ZINC000600629818 344345454 /nfs/dbraw/zinc/34/54/54/344345454.db2.gz PJQKLSIFEFNRFC-UHFFFAOYSA-N -1 3 246.759 3.315 20 0 BGADHM C[C@@H](O)CCSCc1cc([O-])ccc1Cl ZINC000600637031 344348275 /nfs/dbraw/zinc/34/82/75/344348275.db2.gz IPYLEUBUTUDMSR-MRVPVSSYSA-N -1 3 246.759 3.050 20 0 BGADHM C[C@H](O)CCSCc1cc([O-])ccc1Cl ZINC000600637032 344348424 /nfs/dbraw/zinc/34/84/24/344348424.db2.gz IPYLEUBUTUDMSR-QMMMGPOBSA-N -1 3 246.759 3.050 20 0 BGADHM CCC/C=C\c1nc(-c2ccc([O-])cc2)no1 ZINC000603631364 350003582 /nfs/dbraw/zinc/00/35/82/350003582.db2.gz LHEXBWJIHUIAQG-PLNGDYQASA-N -1 3 230.267 3.256 20 0 BGADHM CCC/C=C/c1nc(-c2ccc([O-])cc2)no1 ZINC000603631365 350003525 /nfs/dbraw/zinc/00/35/25/350003525.db2.gz LHEXBWJIHUIAQG-SNAWJCMRSA-N -1 3 230.267 3.256 20 0 BGADHM Cc1ccc(NC(=O)[C@@H](C)c2ccco2)c([O-])c1 ZINC000608348877 355362323 /nfs/dbraw/zinc/36/23/23/355362323.db2.gz DXSJNRQPWDDGHK-JTQLQIEISA-N -1 3 245.278 3.036 20 0 BGADHM Cc1ccc(NC(=O)[C@H](C)c2ccco2)c([O-])c1 ZINC000608348878 355362339 /nfs/dbraw/zinc/36/23/39/355362339.db2.gz DXSJNRQPWDDGHK-SNVBAGLBSA-N -1 3 245.278 3.036 20 0 BGADHM Cc1cc(Cl)cc(NC(=O)CCCF)c1[O-] ZINC000613035038 360287045 /nfs/dbraw/zinc/28/70/45/360287045.db2.gz JNOMQEZNKXCJOI-UHFFFAOYSA-N -1 3 245.681 3.042 20 0 BGADHM Cc1ccc(NC(=O)CCC(C)(F)F)c([O-])c1 ZINC000613195270 360685225 /nfs/dbraw/zinc/68/52/25/360685225.db2.gz UTNIDGHIJCNPDC-UHFFFAOYSA-N -1 3 243.253 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC1(C)C ZINC000613207947 361223901 /nfs/dbraw/zinc/22/39/01/361223901.db2.gz RXKCQUIKFPJYBY-JTQLQIEISA-N -1 3 233.311 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H]1CCC1(C)C ZINC000613207948 361223743 /nfs/dbraw/zinc/22/37/43/361223743.db2.gz RXKCQUIKFPJYBY-SNVBAGLBSA-N -1 3 233.311 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000613209456 361235877 /nfs/dbraw/zinc/23/58/77/361235877.db2.gz YRGIBJKDADSZBK-QJPTWQEYSA-N -1 3 245.322 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000613209459 361235964 /nfs/dbraw/zinc/23/59/64/361235964.db2.gz YRGIBJKDADSZBK-UTUOFQBUSA-N -1 3 245.322 3.075 20 0 BGADHM Cc1cc(C(=O)N2[C@H](C)CCC2(C)C)ccc1[O-] ZINC000616166024 369001775 /nfs/dbraw/zinc/00/17/75/369001775.db2.gz XGKICAMHJODNIU-LLVKDONJSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1cc(C(=O)N2[C@@H](C)CCC2(C)C)ccc1[O-] ZINC000616166025 369001838 /nfs/dbraw/zinc/00/18/38/369001838.db2.gz XGKICAMHJODNIU-NSHDSACASA-N -1 3 247.338 3.104 20 0 BGADHM O=C(CCC(F)F)Nc1ccc([O-])cc1Cl ZINC000616940125 385511301 /nfs/dbraw/zinc/51/13/01/385511301.db2.gz UENWMSZYMVKRQZ-UHFFFAOYSA-N -1 3 249.644 3.029 20 0 BGADHM O=C(Nc1ccc([O-])cc1Cl)C1=CCCC1 ZINC000616940659 347511443 /nfs/dbraw/zinc/51/14/43/347511443.db2.gz BEZQYOGPNOTNFF-UHFFFAOYSA-N -1 3 237.686 3.094 20 0 BGADHM CC1(C(=O)Nc2ccc([O-])cc2Cl)CCC1 ZINC000616940839 347511183 /nfs/dbraw/zinc/51/11/83/347511183.db2.gz HIAZMHVYCQPBEJ-UHFFFAOYSA-N -1 3 239.702 3.174 20 0 BGADHM CCc1cc(C(=O)N(CC)[C@H](C)CC)ccc1[O-] ZINC000616976155 347549643 /nfs/dbraw/zinc/54/96/43/347549643.db2.gz NADXFEBBDFLWEC-LLVKDONJSA-N -1 3 249.354 3.215 20 0 BGADHM CCc1cc(C(=O)N(CC)[C@@H](C)CC)ccc1[O-] ZINC000616976156 347549526 /nfs/dbraw/zinc/54/95/26/347549526.db2.gz NADXFEBBDFLWEC-NSHDSACASA-N -1 3 249.354 3.215 20 0 BGADHM CCc1ccc(C(=O)N(CC)[C@H](C)CC)c([O-])c1 ZINC000616977927 347560527 /nfs/dbraw/zinc/56/05/27/347560527.db2.gz QCJYHDSSFQFJDS-LLVKDONJSA-N -1 3 249.354 3.215 20 0 BGADHM CCc1ccc(C(=O)N(CC)[C@@H](C)CC)c([O-])c1 ZINC000616977928 347560537 /nfs/dbraw/zinc/56/05/37/347560537.db2.gz QCJYHDSSFQFJDS-NSHDSACASA-N -1 3 249.354 3.215 20 0 BGADHM CCc1cccc(C(=O)N(CC)[C@H](C)CC)c1[O-] ZINC000616978683 347561399 /nfs/dbraw/zinc/56/13/99/347561399.db2.gz CYVZZWMUNZHTDO-LLVKDONJSA-N -1 3 249.354 3.215 20 0 BGADHM CCc1cccc(C(=O)N(CC)[C@@H](C)CC)c1[O-] ZINC000616978684 347561210 /nfs/dbraw/zinc/56/12/10/347561210.db2.gz CYVZZWMUNZHTDO-NSHDSACASA-N -1 3 249.354 3.215 20 0 BGADHM CC[C@@H](C)N(CC)C(=O)c1ccc(C)c(C)c1[O-] ZINC000616978883 347561753 /nfs/dbraw/zinc/56/17/53/347561753.db2.gz IVKCYTIJLSDWCA-LLVKDONJSA-N -1 3 249.354 3.270 20 0 BGADHM CC[C@H](C)N(CC)C(=O)c1ccc(C)c(C)c1[O-] ZINC000616978884 347561847 /nfs/dbraw/zinc/56/18/47/347561847.db2.gz IVKCYTIJLSDWCA-NSHDSACASA-N -1 3 249.354 3.270 20 0 BGADHM CCc1ccc([O-])c(C(=O)N(CC)[C@H](C)CC)c1 ZINC000616979764 347554236 /nfs/dbraw/zinc/55/42/36/347554236.db2.gz XYPVOZGORPUOFA-LLVKDONJSA-N -1 3 249.354 3.215 20 0 BGADHM CCc1ccc([O-])c(C(=O)N(CC)[C@@H](C)CC)c1 ZINC000616979765 347554252 /nfs/dbraw/zinc/55/42/52/347554252.db2.gz XYPVOZGORPUOFA-NSHDSACASA-N -1 3 249.354 3.215 20 0 BGADHM Cc1ccc(C(=O)N(C)CCC(C)C)c([O-])c1C ZINC000617185326 350305577 /nfs/dbraw/zinc/30/55/77/350305577.db2.gz DMEWXVGNTJIJRD-UHFFFAOYSA-N -1 3 249.354 3.127 20 0 BGADHM CCC(C)(C)[C@@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000617570406 356132903 /nfs/dbraw/zinc/13/29/03/356132903.db2.gz PXBWXWPFXFRPIB-LLVKDONJSA-N -1 3 249.354 3.255 20 0 BGADHM CCC(C)(C)[C@H](C)NC(=O)c1ccc([O-])c(C)c1 ZINC000617570407 356133250 /nfs/dbraw/zinc/13/32/50/356133250.db2.gz PXBWXWPFXFRPIB-NSHDSACASA-N -1 3 249.354 3.255 20 0 BGADHM Cc1cc(C(=O)NCCCC2CCC2)ccc1[O-] ZINC000618613881 369184918 /nfs/dbraw/zinc/18/49/18/369184918.db2.gz BGKOVCBCDZJQTL-UHFFFAOYSA-N -1 3 247.338 3.011 20 0 BGADHM CC[C@](C)(NC(=O)c1ccc([O-])c(C)c1)C1CC1 ZINC000618960014 364276288 /nfs/dbraw/zinc/27/62/88/364276288.db2.gz HGTQJXYZQMNYSP-HNNXBMFYSA-N -1 3 247.338 3.009 20 0 BGADHM CC[C@@](C)(NC(=O)c1ccc([O-])c(C)c1)C1CC1 ZINC000618960015 364275939 /nfs/dbraw/zinc/27/59/39/364275939.db2.gz HGTQJXYZQMNYSP-OAHLLOKOSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C(=O)NC2(CC(C)C)CC2)ccc1[O-] ZINC000620283688 369799060 /nfs/dbraw/zinc/79/90/60/369799060.db2.gz PWGKXOGWQCDGPM-UHFFFAOYSA-N -1 3 247.338 3.009 20 0 BGADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cccc([O-])c1 ZINC000620572997 369930198 /nfs/dbraw/zinc/93/01/98/369930198.db2.gz XZKGKUCSDJFWCI-WCQYABFASA-N -1 3 247.338 3.185 20 0 BGADHM CC[C@@H]1CCC[C@H](C)N1C(=O)c1ccccc1[O-] ZINC000620576059 369933721 /nfs/dbraw/zinc/93/37/21/369933721.db2.gz OWSHVVLNUOFTMB-NWDGAFQWSA-N -1 3 247.338 3.185 20 0 BGADHM CC1CC(CNCc2cccc([O-])c2Cl)C1 ZINC000621384762 370329674 /nfs/dbraw/zinc/32/96/74/370329674.db2.gz SQNYVPPCRSHIKZ-UHFFFAOYSA-N -1 3 239.746 3.181 20 0 BGADHM CCc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000622273084 370812871 /nfs/dbraw/zinc/81/28/71/370812871.db2.gz XRPLJXDJGFMFEY-UHFFFAOYSA-N -1 3 247.338 3.017 20 0 BGADHM CCC(CC)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000622275494 370816281 /nfs/dbraw/zinc/81/62/81/370816281.db2.gz GOAUFMJARJJYDR-UHFFFAOYSA-N -1 3 249.354 3.434 20 0 BGADHM CCC(C)(C)NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000622294105 370827461 /nfs/dbraw/zinc/82/74/61/370827461.db2.gz JBMZKXWXNGVIBR-UHFFFAOYSA-N -1 3 249.354 3.434 20 0 BGADHM CCc1ccc(C(=O)NCCC(C)(C)C)c([O-])c1 ZINC000622305871 370834047 /nfs/dbraw/zinc/83/40/47/370834047.db2.gz BDZQYMCNAGGPKW-UHFFFAOYSA-N -1 3 249.354 3.121 20 0 BGADHM CCc1cccc(C(=O)NCCC(C)(C)C)c1[O-] ZINC000622306134 370834756 /nfs/dbraw/zinc/83/47/56/370834756.db2.gz NOSYZXIAAHAYLI-UHFFFAOYSA-N -1 3 249.354 3.121 20 0 BGADHM Cc1ccc(C(=O)N[C@H](C)CC(C)C)c([O-])c1C ZINC000622321420 370848518 /nfs/dbraw/zinc/84/85/18/370848518.db2.gz CFMWQEDHZKAPHU-LLVKDONJSA-N -1 3 249.354 3.173 20 0 BGADHM Cc1ccc(C(=O)N[C@@H](C)CC(C)C)c([O-])c1C ZINC000622321421 370848496 /nfs/dbraw/zinc/84/84/96/370848496.db2.gz CFMWQEDHZKAPHU-NSHDSACASA-N -1 3 249.354 3.173 20 0 BGADHM CCc1ccc([O-])c(C(=O)N[C@H](C)CC(C)C)c1 ZINC000622322063 370848269 /nfs/dbraw/zinc/84/82/69/370848269.db2.gz YYEHOYBYDRTRII-LLVKDONJSA-N -1 3 249.354 3.119 20 0 BGADHM CCc1ccc([O-])c(C(=O)N[C@@H](C)CC(C)C)c1 ZINC000622322064 370848214 /nfs/dbraw/zinc/84/82/14/370848214.db2.gz YYEHOYBYDRTRII-NSHDSACASA-N -1 3 249.354 3.119 20 0 BGADHM CCc1cccc(C(=O)N[C@H](C)CC(C)C)c1[O-] ZINC000622322078 370848449 /nfs/dbraw/zinc/84/84/49/370848449.db2.gz ZNEVOMGQSDAMLB-LLVKDONJSA-N -1 3 249.354 3.119 20 0 BGADHM CCc1cccc(C(=O)N[C@@H](C)CC(C)C)c1[O-] ZINC000622322079 370848734 /nfs/dbraw/zinc/84/87/34/370848734.db2.gz ZNEVOMGQSDAMLB-NSHDSACASA-N -1 3 249.354 3.119 20 0 BGADHM Cc1c(F)cccc1C(=O)Nc1ccccc1[O-] ZINC000622322244 370848712 /nfs/dbraw/zinc/84/87/12/370848712.db2.gz GVKSFBCDYBUVFW-UHFFFAOYSA-N -1 3 245.253 3.092 20 0 BGADHM CCc1ccc(C(=O)N[C@H](C)CC(C)C)c([O-])c1 ZINC000622322385 370848722 /nfs/dbraw/zinc/84/87/22/370848722.db2.gz NQOPFZCUSIFRKL-LLVKDONJSA-N -1 3 249.354 3.119 20 0 BGADHM CCc1ccc(C(=O)N[C@@H](C)CC(C)C)c([O-])c1 ZINC000622322386 370848563 /nfs/dbraw/zinc/84/85/63/370848563.db2.gz NQOPFZCUSIFRKL-NSHDSACASA-N -1 3 249.354 3.119 20 0 BGADHM CCCC(C)(C)NC(=O)c1cc(CC)ccc1[O-] ZINC000622337568 370854279 /nfs/dbraw/zinc/85/42/79/370854279.db2.gz BTMOALWMGSUFEP-UHFFFAOYSA-N -1 3 249.354 3.263 20 0 BGADHM CCCC(C)(C)NC(=O)c1ccc(CC)cc1[O-] ZINC000622337794 370855730 /nfs/dbraw/zinc/85/57/30/370855730.db2.gz KLJPZDCOTIPCOP-UHFFFAOYSA-N -1 3 249.354 3.263 20 0 BGADHM CCCC(C)(C)NC(=O)c1cccc(CC)c1[O-] ZINC000622337924 370855403 /nfs/dbraw/zinc/85/54/03/370855403.db2.gz PMNHJZFLPHMPFX-UHFFFAOYSA-N -1 3 249.354 3.263 20 0 BGADHM CCCC(C)(C)NC(=O)c1ccc(C)c(C)c1[O-] ZINC000622338120 370855883 /nfs/dbraw/zinc/85/58/83/370855883.db2.gz YOAHWRPBTVSDTP-UHFFFAOYSA-N -1 3 249.354 3.318 20 0 BGADHM CCc1ccc(C(=O)NC(C)(C)C(C)C)c([O-])c1 ZINC000622351143 370861739 /nfs/dbraw/zinc/86/17/39/370861739.db2.gz FRPQYWNCKLNUPL-UHFFFAOYSA-N -1 3 249.354 3.119 20 0 BGADHM CCc1cccc(C(=O)NC(C)(C)C(C)C)c1[O-] ZINC000622351291 370861364 /nfs/dbraw/zinc/86/13/64/370861364.db2.gz LSJBDKMILBYZPM-UHFFFAOYSA-N -1 3 249.354 3.119 20 0 BGADHM CCc1ccc([O-])c(C(=O)NC(C)(C)C(C)C)c1 ZINC000622351299 370861921 /nfs/dbraw/zinc/86/19/21/370861921.db2.gz MFZSXGUAZFBEMD-UHFFFAOYSA-N -1 3 249.354 3.119 20 0 BGADHM Cc1ccc(C(=O)NC(C)(C)C(C)C)c([O-])c1C ZINC000622351385 370861455 /nfs/dbraw/zinc/86/14/55/370861455.db2.gz OMGMAYNTQXOUQO-UHFFFAOYSA-N -1 3 249.354 3.173 20 0 BGADHM CCn1nc(C)cc1-c1cc(Cl)ccc1[O-] ZINC000623048581 347364008 /nfs/dbraw/zinc/36/40/08/347364008.db2.gz DDLQTWIXCWLWNT-UHFFFAOYSA-N -1 3 236.702 3.237 20 0 BGADHM CC[C@@H]1CCCCN1C(=O)c1c(C)cccc1[O-] ZINC000623350404 356768562 /nfs/dbraw/zinc/76/85/62/356768562.db2.gz ICQFBRWFVUOXJI-GFCCVEGCSA-N -1 3 247.338 3.105 20 0 BGADHM CC[C@H]1CCCCN1C(=O)c1c(C)cccc1[O-] ZINC000623350405 356768345 /nfs/dbraw/zinc/76/83/45/356768345.db2.gz ICQFBRWFVUOXJI-LBPRGKRZSA-N -1 3 247.338 3.105 20 0 BGADHM CCc1ccc([O-])c(C(=O)Nc2ccccc2)c1 ZINC000623466422 359668697 /nfs/dbraw/zinc/66/86/97/359668697.db2.gz PXAOFVOACLWMLX-UHFFFAOYSA-N -1 3 241.290 3.207 20 0 BGADHM Cc1cccc([O-])c1C(=O)N(C)C1CCCCC1 ZINC000623672842 369331046 /nfs/dbraw/zinc/33/10/46/369331046.db2.gz FVCBHLVABOZQBM-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM CC(C)(C)CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000623777131 363549483 /nfs/dbraw/zinc/54/94/83/363549483.db2.gz QJUQXWWGSQZTTM-UHFFFAOYSA-N -1 3 245.326 3.036 20 0 BGADHM CC[C@@H](C)CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000623777221 371088326 /nfs/dbraw/zinc/08/83/26/371088326.db2.gz VFNWQTLYWFFQIU-LLVKDONJSA-N -1 3 245.326 3.036 20 0 BGADHM CC[C@H](C)CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000623777222 371087804 /nfs/dbraw/zinc/08/78/04/371087804.db2.gz VFNWQTLYWFFQIU-NSHDSACASA-N -1 3 245.326 3.036 20 0 BGADHM Cc1cccc([O-])c1C(=O)N(C)[C@H](C)C(C)(C)C ZINC000623825825 371113894 /nfs/dbraw/zinc/11/38/94/371113894.db2.gz LQVARGIAAPUMRY-LLVKDONJSA-N -1 3 249.354 3.207 20 0 BGADHM Cc1cccc([O-])c1C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000623825826 371113708 /nfs/dbraw/zinc/11/37/08/371113708.db2.gz LQVARGIAAPUMRY-NSHDSACASA-N -1 3 249.354 3.207 20 0 BGADHM CCCCN(C(=O)c1c(C)cccc1[O-])C1CC1 ZINC000623872525 371135996 /nfs/dbraw/zinc/13/59/96/371135996.db2.gz GVLBBHIQNFCNSY-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM CCCN(CC(C)C)C(=O)c1c(C)cccc1[O-] ZINC000623933605 371163012 /nfs/dbraw/zinc/16/30/12/371163012.db2.gz KVRFVLFRRDEJHB-UHFFFAOYSA-N -1 3 249.354 3.209 20 0 BGADHM CCN(C(=O)c1c(C)cccc1[O-])C1CCCC1 ZINC000624232510 371420024 /nfs/dbraw/zinc/42/00/24/371420024.db2.gz CBTSRCFYUWZDGT-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM CCCC(C)(C)NC(=O)c1c(C)cccc1[O-] ZINC000624933061 342838381 /nfs/dbraw/zinc/83/83/81/342838381.db2.gz IKWWRMVEWXEMIF-UHFFFAOYSA-N -1 3 235.327 3.009 20 0 BGADHM Cc1cccc([O-])c1C(=O)N(CC(C)C)C(C)C ZINC000624983894 342840601 /nfs/dbraw/zinc/84/06/01/342840601.db2.gz BKDOKDMSYARXJL-UHFFFAOYSA-N -1 3 249.354 3.207 20 0 BGADHM CCCCN(C)Cc1cc([O-])ccc1Cl ZINC000625048498 342845573 /nfs/dbraw/zinc/84/55/73/342845573.db2.gz UIOZDMMGBFNJSU-UHFFFAOYSA-N -1 3 227.735 3.278 20 0 BGADHM [O-]c1ccc(Cl)c(CN2C3CCC2CC3)c1 ZINC000625076308 342848553 /nfs/dbraw/zinc/84/85/53/342848553.db2.gz GYUZKPUBSXTMCG-UHFFFAOYSA-N -1 3 237.730 3.172 20 0 BGADHM CCN(Cc1cc([O-])ccc1Cl)C1CC1 ZINC000625076462 342848689 /nfs/dbraw/zinc/84/86/89/342848689.db2.gz HAYOCBJQMFSEFP-UHFFFAOYSA-N -1 3 225.719 3.030 20 0 BGADHM CC(C)N(Cc1cc([O-])ccc1Cl)C1CC1 ZINC000625084118 342848994 /nfs/dbraw/zinc/84/89/94/342848994.db2.gz LUTDCEHSNYBLNV-UHFFFAOYSA-N -1 3 239.746 3.418 20 0 BGADHM CCCN(Cc1cc([O-])ccc1Cl)C1CC1 ZINC000625136733 342887737 /nfs/dbraw/zinc/88/77/37/342887737.db2.gz NQQURAVACQJGBY-UHFFFAOYSA-N -1 3 239.746 3.420 20 0 BGADHM CN(Cc1cc([O-])ccc1Cl)C1CCC1 ZINC000625190744 342905480 /nfs/dbraw/zinc/90/54/80/342905480.db2.gz PMJFFTFWDZGVQS-UHFFFAOYSA-N -1 3 225.719 3.030 20 0 BGADHM CC1(C)CCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625201597 342909542 /nfs/dbraw/zinc/90/95/42/342909542.db2.gz YTKKRPNGZNJLNE-UHFFFAOYSA-N -1 3 239.746 3.278 20 0 BGADHM Cc1cccc([O-])c1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000625250671 343023653 /nfs/dbraw/zinc/02/36/53/343023653.db2.gz JLWPWZBVFOEAAG-RYUDHWBXSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1cccc([O-])c1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000625250677 343023892 /nfs/dbraw/zinc/02/38/92/343023892.db2.gz JLWPWZBVFOEAAG-TXEJJXNPSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1cccc([O-])c1C(=O)N1[C@H](C)CCC[C@H]1C ZINC000625250679 343023866 /nfs/dbraw/zinc/02/38/66/343023866.db2.gz JLWPWZBVFOEAAG-VXGBXAGGSA-N -1 3 247.338 3.104 20 0 BGADHM CN(CCC1CC1)Cc1cc([O-])ccc1Cl ZINC000625262860 343143989 /nfs/dbraw/zinc/14/39/89/343143989.db2.gz HCKZVOZIWCUTFR-UHFFFAOYSA-N -1 3 239.746 3.278 20 0 BGADHM CC1=CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000625263084 343145016 /nfs/dbraw/zinc/14/50/16/343145016.db2.gz BLWOABPOKHNSJS-UHFFFAOYSA-N -1 3 237.730 3.198 20 0 BGADHM [O-]c1ccc(Cl)c(CN2CCC=C(F)C2)c1 ZINC000625287076 343222397 /nfs/dbraw/zinc/22/23/97/343222397.db2.gz JDNRSXJTCBNITM-UHFFFAOYSA-N -1 3 241.693 3.105 20 0 BGADHM C[C@@H]1C[C@H](C)N1Cc1cc([O-])ccc1Cl ZINC000625380233 343367636 /nfs/dbraw/zinc/36/76/36/343367636.db2.gz AECTUXFXHDIJCU-DTORHVGOSA-N -1 3 225.719 3.028 20 0 BGADHM C[C@H]1C[C@H](C)N1Cc1cc([O-])ccc1Cl ZINC000625380235 343367807 /nfs/dbraw/zinc/36/78/07/343367807.db2.gz AECTUXFXHDIJCU-IUCAKERBSA-N -1 3 225.719 3.028 20 0 BGADHM C[C@@H]1C[C@@H](C)N1Cc1cc([O-])ccc1Cl ZINC000625380237 343367948 /nfs/dbraw/zinc/36/79/48/343367948.db2.gz AECTUXFXHDIJCU-RKDXNWHRSA-N -1 3 225.719 3.028 20 0 BGADHM CC1=CCCN(Cc2cc([O-])ccc2Cl)C1 ZINC000625388241 343369853 /nfs/dbraw/zinc/36/98/53/343369853.db2.gz XLXQQRITAJREQB-UHFFFAOYSA-N -1 3 237.730 3.198 20 0 BGADHM CC12CC(C1)CN2Cc1cc([O-])ccc1Cl ZINC000625564518 398199947 /nfs/dbraw/zinc/19/99/47/398199947.db2.gz DMPXSGNWTWXHHP-UHFFFAOYSA-N -1 3 237.730 3.030 20 0 BGADHM CCC(C)(CC)NC(=O)c1c(C)cccc1[O-] ZINC000625577976 344015405 /nfs/dbraw/zinc/01/54/05/344015405.db2.gz PZMLTRGPOALTQL-UHFFFAOYSA-N -1 3 235.327 3.009 20 0 BGADHM Cc1cccc([O-])c1C(=O)N1CCCCC[C@H]1C ZINC000625625241 344021217 /nfs/dbraw/zinc/02/12/17/344021217.db2.gz OZDKZKLAUJGTFY-GFCCVEGCSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1cccc([O-])c1C(=O)N1CCCCC[C@@H]1C ZINC000625625244 344021011 /nfs/dbraw/zinc/02/10/11/344021011.db2.gz OZDKZKLAUJGTFY-LBPRGKRZSA-N -1 3 247.338 3.105 20 0 BGADHM Cc1cccc([O-])c1C(=O)N(C(C)C)C1CCC1 ZINC000625764018 344067610 /nfs/dbraw/zinc/06/76/10/344067610.db2.gz BYGKEAPCJSFPBJ-UHFFFAOYSA-N -1 3 247.338 3.104 20 0 BGADHM [O-]c1ccc(Cl)c(CN(C2CC2)C2CC2)c1 ZINC000625842335 344093946 /nfs/dbraw/zinc/09/39/46/344093946.db2.gz QKCPGWBMFKVCFU-UHFFFAOYSA-N -1 3 237.730 3.172 20 0 BGADHM CC[C@@H](C)CN(CC)C(=O)c1c(C)cccc1[O-] ZINC000625985405 344651178 /nfs/dbraw/zinc/65/11/78/344651178.db2.gz NHOUBXSGAJROIM-LLVKDONJSA-N -1 3 249.354 3.209 20 0 BGADHM CC[C@H](C)CN(CC)C(=O)c1c(C)cccc1[O-] ZINC000625985406 344651274 /nfs/dbraw/zinc/65/12/74/344651274.db2.gz NHOUBXSGAJROIM-NSHDSACASA-N -1 3 249.354 3.209 20 0 BGADHM CC[C@H]1CC[C@@H](C)N1C(=O)c1c(C)cccc1[O-] ZINC000626351493 350998748 /nfs/dbraw/zinc/99/87/48/350998748.db2.gz QVTXMBNBMRFOGA-NEPJUHHUSA-N -1 3 247.338 3.104 20 0 BGADHM CC[C@@H]1CC[C@H](C)N1C(=O)c1c(C)cccc1[O-] ZINC000626351494 350998446 /nfs/dbraw/zinc/99/84/46/350998446.db2.gz QVTXMBNBMRFOGA-NWDGAFQWSA-N -1 3 247.338 3.104 20 0 BGADHM CC[C@H]1CC[C@H](C)N1C(=O)c1c(C)cccc1[O-] ZINC000626351495 350998567 /nfs/dbraw/zinc/99/85/67/350998567.db2.gz QVTXMBNBMRFOGA-RYUDHWBXSA-N -1 3 247.338 3.104 20 0 BGADHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1c(C)cccc1[O-] ZINC000626351496 350998777 /nfs/dbraw/zinc/99/87/77/350998777.db2.gz QVTXMBNBMRFOGA-VXGBXAGGSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1cccc([O-])c1C(=O)N[C@H](C)CCC1CC1 ZINC000626486510 357059484 /nfs/dbraw/zinc/05/94/84/357059484.db2.gz ALZBRZXBCFRNFE-LLVKDONJSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc([O-])c1C(=O)N[C@@H](C)CCC1CC1 ZINC000626486511 357059432 /nfs/dbraw/zinc/05/94/32/357059432.db2.gz ALZBRZXBCFRNFE-NSHDSACASA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc([O-])c1C(=O)N(C)C1(C)CCCC1 ZINC000626702762 359505691 /nfs/dbraw/zinc/50/56/91/359505691.db2.gz DLIITMDWRCGPJV-UHFFFAOYSA-N -1 3 247.338 3.105 20 0 BGADHM CCC(CC)N(CC)C(=O)c1c(C)cccc1[O-] ZINC000627322482 370402369 /nfs/dbraw/zinc/40/23/69/370402369.db2.gz WHWNODWDCDUOJP-UHFFFAOYSA-N -1 3 249.354 3.351 20 0 BGADHM CCN(C(=O)c1c(C)cccc1[O-])[C@H](C)C(C)C ZINC000627379160 371594652 /nfs/dbraw/zinc/59/46/52/371594652.db2.gz DZBAQPGOMMBATL-GFCCVEGCSA-N -1 3 249.354 3.207 20 0 BGADHM CCN(C(=O)c1c(C)cccc1[O-])[C@@H](C)C(C)C ZINC000627379161 371594674 /nfs/dbraw/zinc/59/46/74/371594674.db2.gz DZBAQPGOMMBATL-LBPRGKRZSA-N -1 3 249.354 3.207 20 0 BGADHM CCCC[C@@H](C)N(C)C(=O)c1c(C)cccc1[O-] ZINC000627416421 371605990 /nfs/dbraw/zinc/60/59/90/371605990.db2.gz YJNQWBHQSGMGNK-GFCCVEGCSA-N -1 3 249.354 3.351 20 0 BGADHM CCCC[C@H](C)N(C)C(=O)c1c(C)cccc1[O-] ZINC000627416422 371606733 /nfs/dbraw/zinc/60/67/33/371606733.db2.gz YJNQWBHQSGMGNK-LBPRGKRZSA-N -1 3 249.354 3.351 20 0 BGADHM CCN(CC(C)(C)C)C(=O)c1c(C)cccc1[O-] ZINC000627443279 371623878 /nfs/dbraw/zinc/62/38/78/371623878.db2.gz FJDHAFNMQGTWBP-UHFFFAOYSA-N -1 3 249.354 3.209 20 0 BGADHM Cc1cccc([O-])c1C(=O)NC(C)(C)C1CCC1 ZINC000627632021 371793219 /nfs/dbraw/zinc/79/32/19/371793219.db2.gz QQXHZPQYRVJWPF-UHFFFAOYSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc([O-])c1C(=O)N1[C@H](C)CCC1(C)C ZINC000627701129 371860316 /nfs/dbraw/zinc/86/03/16/371860316.db2.gz POXGWYULRJCCEK-LLVKDONJSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1cccc([O-])c1C(=O)N1[C@@H](C)CCC1(C)C ZINC000627701130 371860784 /nfs/dbraw/zinc/86/07/84/371860784.db2.gz POXGWYULRJCCEK-NSHDSACASA-N -1 3 247.338 3.104 20 0 BGADHM Cc1cccc([O-])c1C(=O)N(C)CCC(C)(C)C ZINC000627916560 372128919 /nfs/dbraw/zinc/12/89/19/372128919.db2.gz FREAOUUFAMSYTQ-UHFFFAOYSA-N -1 3 249.354 3.209 20 0 BGADHM CC[C@](C)(NC(=O)c1c(C)cccc1[O-])C1CC1 ZINC000628106082 343948945 /nfs/dbraw/zinc/94/89/45/343948945.db2.gz WOMMFIBALKTBHF-HNNXBMFYSA-N -1 3 247.338 3.009 20 0 BGADHM CC[C@@](C)(NC(=O)c1c(C)cccc1[O-])C1CC1 ZINC000628106083 343948761 /nfs/dbraw/zinc/94/87/61/343948761.db2.gz WOMMFIBALKTBHF-OAHLLOKOSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cccc([O-])c1C(=O)NC1(CC(C)C)CC1 ZINC000628142014 344808207 /nfs/dbraw/zinc/80/82/07/344808207.db2.gz NGRPWNZBQCLSPS-UHFFFAOYSA-N -1 3 247.338 3.009 20 0 BGADHM CC[C@@H](C)Cc1noc(-c2ccccc2[O-])n1 ZINC000632248284 372827865 /nfs/dbraw/zinc/82/78/65/372827865.db2.gz NJEYZISHNNTCMB-SECBINFHSA-N -1 3 232.283 3.031 20 0 BGADHM CC[C@H](C)Cc1noc(-c2ccccc2[O-])n1 ZINC000632248285 372827907 /nfs/dbraw/zinc/82/79/07/372827907.db2.gz NJEYZISHNNTCMB-VIFPVBQESA-N -1 3 232.283 3.031 20 0 BGADHM Cc1cc(C(=O)N[C@H](C)CC2CCC2)ccc1[O-] ZINC000634369376 361821880 /nfs/dbraw/zinc/82/18/80/361821880.db2.gz YYGZCIRGQLLFEX-LLVKDONJSA-N -1 3 247.338 3.009 20 0 BGADHM Cc1cc(C(=O)N[C@@H](C)CC2CCC2)ccc1[O-] ZINC000634369377 361821167 /nfs/dbraw/zinc/82/11/67/361821167.db2.gz YYGZCIRGQLLFEX-NSHDSACASA-N -1 3 247.338 3.009 20 0 BGADHM CCc1[n-]n(-c2ccccc2)c(=O)c1C(C)C ZINC000634582406 342798250 /nfs/dbraw/zinc/79/82/50/342798250.db2.gz SGCITOVGODUHSY-CYBMUJFWSA-N -1 3 230.311 3.071 20 0 BGADHM CCc1[n-]n(-c2ccccc2)c(=O)c1C(C)C ZINC000634582407 342798312 /nfs/dbraw/zinc/79/83/12/342798312.db2.gz SGCITOVGODUHSY-ZDUSSCGKSA-N -1 3 230.311 3.071 20 0 BGADHM CCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)C ZINC000634583193 342800261 /nfs/dbraw/zinc/80/02/61/342800261.db2.gz NSWGHJIDXUWCCP-CYBMUJFWSA-N -1 3 248.301 3.211 20 0 BGADHM CCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)C ZINC000634583194 342800284 /nfs/dbraw/zinc/80/02/84/342800284.db2.gz NSWGHJIDXUWCCP-ZDUSSCGKSA-N -1 3 248.301 3.211 20 0 BGADHM CCc1[n-]n(Cc2ccccc2)c(=O)c1C(C)C ZINC000634583772 342815347 /nfs/dbraw/zinc/81/53/47/342815347.db2.gz HLKHRNJVPJLRBC-AWEZNQCLSA-N -1 3 244.338 3.067 20 0 BGADHM CCc1[n-]n(Cc2ccccc2)c(=O)c1C(C)C ZINC000634583773 342815510 /nfs/dbraw/zinc/81/55/10/342815510.db2.gz HLKHRNJVPJLRBC-CQSZACIVSA-N -1 3 244.338 3.067 20 0 BGADHM CCc1[n-]n(CC2CCCC2)c(=O)c1C(C)C ZINC000634591601 342940991 /nfs/dbraw/zinc/94/09/91/342940991.db2.gz HZNJMLCYANOCND-CYBMUJFWSA-N -1 3 236.359 3.057 20 0 BGADHM CCc1[n-]n(CC2CCCC2)c(=O)c1C(C)C ZINC000634591602 342940940 /nfs/dbraw/zinc/94/09/40/342940940.db2.gz HZNJMLCYANOCND-ZDUSSCGKSA-N -1 3 236.359 3.057 20 0 BGADHM CCc1[n-]n(-c2cccc(F)c2)c(=O)c1C(C)C ZINC000634593001 342949191 /nfs/dbraw/zinc/94/91/91/342949191.db2.gz BGXHZJLCWSXRLH-CYBMUJFWSA-N -1 3 248.301 3.211 20 0 BGADHM CCc1[n-]n(-c2cccc(F)c2)c(=O)c1C(C)C ZINC000634593002 342949021 /nfs/dbraw/zinc/94/90/21/342949021.db2.gz BGXHZJLCWSXRLH-ZDUSSCGKSA-N -1 3 248.301 3.211 20 0 BGADHM CCc1[n-]n(C2CCCCC2)c(=O)c1C(C)C ZINC000634593900 342953186 /nfs/dbraw/zinc/95/31/86/342953186.db2.gz DEGJJEBRGJRBAK-CYBMUJFWSA-N -1 3 236.359 3.200 20 0 BGADHM CCc1[n-]n(C2CCCCC2)c(=O)c1C(C)C ZINC000634593901 342953215 /nfs/dbraw/zinc/95/32/15/342953215.db2.gz DEGJJEBRGJRBAK-ZDUSSCGKSA-N -1 3 236.359 3.200 20 0 BGADHM CCc1[n-]n(C(CC)CC)c(=O)c1C(C)C ZINC000634605742 343000453 /nfs/dbraw/zinc/00/04/53/343000453.db2.gz VNXIVTRXCPJALI-GFCCVEGCSA-N -1 3 224.348 3.055 20 0 BGADHM CCc1[n-]n(C(CC)CC)c(=O)c1C(C)C ZINC000634605743 343000288 /nfs/dbraw/zinc/00/02/88/343000288.db2.gz VNXIVTRXCPJALI-LBPRGKRZSA-N -1 3 224.348 3.055 20 0 BGADHM Cc1[n-]n([C@@H]2CCCCC2(C)C)c(=O)c1C1CC1 ZINC000634625268 343028668 /nfs/dbraw/zinc/02/86/68/343028668.db2.gz CAPRVQHEBBWXIP-CHWSQXEVSA-N -1 3 248.370 3.200 20 0 BGADHM Cc1[n-]n([C@@H]2CCCCC2(C)C)c(=O)c1C1CC1 ZINC000634625269 343028574 /nfs/dbraw/zinc/02/85/74/343028574.db2.gz CAPRVQHEBBWXIP-OLZOCXBDSA-N -1 3 248.370 3.200 20 0 BGADHM Cc1[n-]n([C@H]2CCCCC2(C)C)c(=O)c1C1CC1 ZINC000634625270 343028697 /nfs/dbraw/zinc/02/86/97/343028697.db2.gz CAPRVQHEBBWXIP-QWHCGFSZSA-N -1 3 248.370 3.200 20 0 BGADHM Cc1[n-]n([C@H]2CCCCC2(C)C)c(=O)c1C1CC1 ZINC000634625271 343029248 /nfs/dbraw/zinc/02/92/48/343029248.db2.gz CAPRVQHEBBWXIP-STQMWFEESA-N -1 3 248.370 3.200 20 0 BGADHM C[C@@H]1CCc2[n-]n([C@H]3CCCCC3(C)C)c(=O)c21 ZINC000634625438 343029390 /nfs/dbraw/zinc/02/93/90/343029390.db2.gz GVWGOLQMAOJACT-KGYLQXTDSA-N -1 3 248.370 3.200 20 0 BGADHM C[C@@H]1CCc2[n-]n([C@@H]3CCCCC3(C)C)c(=O)c21 ZINC000634625439 343029440 /nfs/dbraw/zinc/02/94/40/343029440.db2.gz GVWGOLQMAOJACT-RAIGVLPGSA-N -1 3 248.370 3.200 20 0 BGADHM C[C@@H]1CCc2[n-]n([C@@H]3CCCCC3(C)C)c(=O)c21 ZINC000634625440 343029084 /nfs/dbraw/zinc/02/90/84/343029084.db2.gz GVWGOLQMAOJACT-RTXFEEFZSA-N -1 3 248.370 3.200 20 0 BGADHM C[C@@H]1CCc2[n-]n([C@H]3CCCCC3(C)C)c(=O)c21 ZINC000634625441 343029431 /nfs/dbraw/zinc/02/94/31/343029431.db2.gz GVWGOLQMAOJACT-WXHSDQCUSA-N -1 3 248.370 3.200 20 0 BGADHM Cc1[n-]n(C2CCC(C)(C)CC2)c(=O)c1C1CC1 ZINC000634635930 343049957 /nfs/dbraw/zinc/04/99/57/343049957.db2.gz QIBXRLIXVJGKEX-CYBMUJFWSA-N -1 3 248.370 3.200 20 0 BGADHM Cc1[n-]n(C2CCC(C)(C)CC2)c(=O)c1C1CC1 ZINC000634635931 343049832 /nfs/dbraw/zinc/04/98/32/343049832.db2.gz QIBXRLIXVJGKEX-ZDUSSCGKSA-N -1 3 248.370 3.200 20 0 BGADHM C[C@H]1CCc2[n-]n(C3CCC(C)(C)CC3)c(=O)c21 ZINC000634636294 343050020 /nfs/dbraw/zinc/05/00/20/343050020.db2.gz ZYQGRYQEAANAQV-GWCFXTLKSA-N -1 3 248.370 3.200 20 0 BGADHM C[C@H]1CCc2[n-]n(C3CCC(C)(C)CC3)c(=O)c21 ZINC000634636295 343049886 /nfs/dbraw/zinc/04/98/86/343049886.db2.gz ZYQGRYQEAANAQV-GXFFZTMASA-N -1 3 248.370 3.200 20 0 BGADHM C[C@@H]1CCc2[n-]n(C3CCC(C)(C)CC3)c(=O)c21 ZINC000634636296 343049666 /nfs/dbraw/zinc/04/96/66/343049666.db2.gz ZYQGRYQEAANAQV-MFKMUULPSA-N -1 3 248.370 3.200 20 0 BGADHM C[C@@H]1CCc2[n-]n(C3CCC(C)(C)CC3)c(=O)c21 ZINC000634636297 343049656 /nfs/dbraw/zinc/04/96/56/343049656.db2.gz ZYQGRYQEAANAQV-ZWNOBZJWSA-N -1 3 248.370 3.200 20 0 BGADHM CC(C)=C(C)CC(=O)Nc1ccc(C)cc1[O-] ZINC000635095457 345245888 /nfs/dbraw/zinc/24/58/88/345245888.db2.gz HNUMXGGLJLLMBC-UHFFFAOYSA-N -1 3 233.311 3.386 20 0 BGADHM Cc1ccc(NC(=O)C2CCC=CCC2)c([O-])c1 ZINC000635096540 345245622 /nfs/dbraw/zinc/24/56/22/345245622.db2.gz UMKPWHHJJFFCJU-UHFFFAOYSA-N -1 3 245.322 3.386 20 0 BGADHM O=C(Nc1ccccc1[O-])C1CCC=CCC1 ZINC000635402522 345349200 /nfs/dbraw/zinc/34/92/00/345349200.db2.gz RBUPEFFFWLJHIR-UHFFFAOYSA-N -1 3 231.295 3.077 20 0 BGADHM CC(C)=C(C)CC(=O)Nc1ccccc1[O-] ZINC000635402678 345349176 /nfs/dbraw/zinc/34/91/76/345349176.db2.gz UDNYGKSRZWFLJX-UHFFFAOYSA-N -1 3 219.284 3.077 20 0 BGADHM O=C(Nc1cc(F)ccc1[O-])C1CCC=CCC1 ZINC000635739797 346040873 /nfs/dbraw/zinc/04/08/73/346040873.db2.gz LGFRAHSIPLRTHL-UHFFFAOYSA-N -1 3 249.285 3.216 20 0 BGADHM CC(C)=C(C)CC(=O)Nc1cc(F)ccc1[O-] ZINC000635741023 346054102 /nfs/dbraw/zinc/05/41/02/346054102.db2.gz YCDBWGXBDJPELN-UHFFFAOYSA-N -1 3 237.274 3.216 20 0 BGADHM CC(C)=C(C)CC(=O)Nc1cccc([O-])c1F ZINC000635742792 346054514 /nfs/dbraw/zinc/05/45/14/346054514.db2.gz DHBBUSVAAHOFKU-UHFFFAOYSA-N -1 3 237.274 3.216 20 0 BGADHM O=C(Nc1cccc([O-])c1F)C1CCC=CCC1 ZINC000635742866 346054524 /nfs/dbraw/zinc/05/45/24/346054524.db2.gz DXDDKXPSCCTXLQ-UHFFFAOYSA-N -1 3 249.285 3.216 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C1CCC=CCC1 ZINC000635759927 346053197 /nfs/dbraw/zinc/05/31/97/346053197.db2.gz LNZBRLXUQAEILD-UHFFFAOYSA-N -1 3 245.322 3.386 20 0 BGADHM CC(C)=C(C)CC(=O)Nc1c(C)cccc1[O-] ZINC000635760672 346053400 /nfs/dbraw/zinc/05/34/00/346053400.db2.gz VCAMOONVDHRPNJ-UHFFFAOYSA-N -1 3 233.311 3.386 20 0 BGADHM CC(C)=C(C)CC(=O)Nc1ccc([O-])cc1F ZINC000635779244 346063749 /nfs/dbraw/zinc/06/37/49/346063749.db2.gz JGWZWKIINPRXOQ-UHFFFAOYSA-N -1 3 237.274 3.216 20 0 BGADHM O=C(Nc1ccc([O-])cc1F)C1CCC=CCC1 ZINC000635779793 346063531 /nfs/dbraw/zinc/06/35/31/346063531.db2.gz MSFPUPJEWDMPJR-UHFFFAOYSA-N -1 3 249.285 3.216 20 0 BGADHM COc1ccc(NC(=O)CC(C)=C(C)C)c([O-])c1 ZINC000635839154 346082800 /nfs/dbraw/zinc/08/28/00/346082800.db2.gz YOSPBWXEZLKUHZ-UHFFFAOYSA-N -1 3 249.310 3.086 20 0 BGADHM Cc1cc(OCCC(C)(C)C)cc2occ([O-])c21 ZINC000642609382 368931354 /nfs/dbraw/zinc/93/13/54/368931354.db2.gz HMNSBLKVLUFNRX-UHFFFAOYSA-N -1 3 248.322 3.385 20 0 BGADHM Cc1cc(OCC2CCCC2)cc2occ([O-])c21 ZINC000642609473 368930940 /nfs/dbraw/zinc/93/09/40/368930940.db2.gz KAKPSGPTNIXRAG-UHFFFAOYSA-N -1 3 246.306 3.139 20 0 BGADHM CCCCCOc1cc2occ([O-])c2c(C)c1 ZINC000642610151 368933786 /nfs/dbraw/zinc/93/37/86/368933786.db2.gz XVVSUICHECGYFS-UHFFFAOYSA-N -1 3 234.295 3.139 20 0 BGADHM Cc1ccc(NC(=O)CCCC2CC2)c([O-])c1 ZINC000643131323 385672282 /nfs/dbraw/zinc/67/22/82/385672282.db2.gz FCHSIZYRCWCQHC-UHFFFAOYSA-N -1 3 233.311 3.219 20 0 BGADHM [O-]c1ccc(-c2noc(CCCC3CC3)n2)cc1 ZINC000643136322 384541819 /nfs/dbraw/zinc/54/18/19/384541819.db2.gz LFZQBKHOVFDROF-UHFFFAOYSA-N -1 3 244.294 3.175 20 0 BGADHM O=C(CCCC1CC1)Nc1cc(F)ccc1[O-] ZINC000643225958 385797220 /nfs/dbraw/zinc/79/72/20/385797220.db2.gz VQZPWNCRERDXMY-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM O=C(CCCC1CC1)Nc1ccc([O-])cc1F ZINC000643241430 385902148 /nfs/dbraw/zinc/90/21/48/385902148.db2.gz WLSMKWVLAWWXHD-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM CCc1cc(C(=O)N(C)CCC(C)C)ccc1[O-] ZINC000643933974 385294066 /nfs/dbraw/zinc/29/40/66/385294066.db2.gz NWVUBQHXHDPXAZ-UHFFFAOYSA-N -1 3 249.354 3.073 20 0 BGADHM O=C(CCCC1CC1)Nc1cccc([O-])c1F ZINC000644048902 385401134 /nfs/dbraw/zinc/40/11/34/385401134.db2.gz DMNBUFUFOVVWFH-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM Cc1cccc([O-])c1NC(=O)CCCC1CC1 ZINC000644051822 385404914 /nfs/dbraw/zinc/40/49/14/385404914.db2.gz GNRBKCAWOMOQKM-UHFFFAOYSA-N -1 3 233.311 3.219 20 0 BGADHM C[C@@H]1C[C@H](C)N1Cc1cccc([O-])c1Cl ZINC000646181968 388160573 /nfs/dbraw/zinc/16/05/73/388160573.db2.gz KCNIOVZKYGUOMR-DTORHVGOSA-N -1 3 225.719 3.028 20 0 BGADHM C[C@H]1C[C@H](C)N1Cc1cccc([O-])c1Cl ZINC000646181970 388160523 /nfs/dbraw/zinc/16/05/23/388160523.db2.gz KCNIOVZKYGUOMR-IUCAKERBSA-N -1 3 225.719 3.028 20 0 BGADHM C[C@@H]1C[C@@H](C)N1Cc1cccc([O-])c1Cl ZINC000646181971 388160582 /nfs/dbraw/zinc/16/05/82/388160582.db2.gz KCNIOVZKYGUOMR-RKDXNWHRSA-N -1 3 225.719 3.028 20 0 BGADHM CC(C)C1CN(Cc2cccc([O-])c2Cl)C1 ZINC000646181986 388160555 /nfs/dbraw/zinc/16/05/55/388160555.db2.gz CUMSDNGGRILJKE-UHFFFAOYSA-N -1 3 239.746 3.133 20 0 BGADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1[O-] ZINC000648744089 388781851 /nfs/dbraw/zinc/78/18/51/388781851.db2.gz LNZJYHAGFUJEHN-WDEREUQCSA-N -1 3 247.338 3.403 20 0 BGADHM CC(C)c1ccc(C(=O)N(C)C(C)(C)C)c([O-])c1 ZINC000649119116 388824014 /nfs/dbraw/zinc/82/40/14/388824014.db2.gz XWNZSMUOLKLPQJ-UHFFFAOYSA-N -1 3 249.354 3.386 20 0 BGADHM CCCC(C)(C)C(=O)Nc1ccc(C)cc1[O-] ZINC000650998786 410700653 /nfs/dbraw/zinc/70/06/53/410700653.db2.gz KWTRIZVLHVTJOY-UHFFFAOYSA-N -1 3 235.327 3.465 20 0 BGADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@@H]1C1CCCC1 ZINC000651158317 410840637 /nfs/dbraw/zinc/84/06/37/410840637.db2.gz RDLMLDIWAKJTIK-NEPJUHHUSA-N -1 3 245.322 3.157 20 0 BGADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@H]1C1CCCC1 ZINC000651158318 410839943 /nfs/dbraw/zinc/83/99/43/410839943.db2.gz RDLMLDIWAKJTIK-NWDGAFQWSA-N -1 3 245.322 3.157 20 0 BGADHM O=C(Nc1ccccc1[O-])[C@H]1C[C@H]1C1CCCC1 ZINC000651158319 410839972 /nfs/dbraw/zinc/83/99/72/410839972.db2.gz RDLMLDIWAKJTIK-RYUDHWBXSA-N -1 3 245.322 3.157 20 0 BGADHM O=C(Nc1ccccc1[O-])[C@@H]1C[C@@H]1C1CCCC1 ZINC000651158320 410839203 /nfs/dbraw/zinc/83/92/03/410839203.db2.gz RDLMLDIWAKJTIK-VXGBXAGGSA-N -1 3 245.322 3.157 20 0 BGADHM CCCC(C)(C)C(=O)Nc1ccccc1[O-] ZINC000651158364 410840412 /nfs/dbraw/zinc/84/04/12/410840412.db2.gz SDOMUPYIEGWIMG-UHFFFAOYSA-N -1 3 221.300 3.157 20 0 BGADHM CCCC(C)(C)C(=O)Nc1cc(F)ccc1[O-] ZINC000651586925 487793128 /nfs/dbraw/zinc/79/31/28/487793128.db2.gz SOUVOWUODCGXSX-UHFFFAOYSA-N -1 3 239.290 3.296 20 0 BGADHM CCCC(C)(C)C(=O)Nc1cccc([O-])c1F ZINC000651602035 487796487 /nfs/dbraw/zinc/79/64/87/487796487.db2.gz AELRKDQDKQFABK-UHFFFAOYSA-N -1 3 239.290 3.296 20 0 BGADHM CCCC(C)(C)C(=O)Nc1ccc([O-])cc1F ZINC000651687470 411135823 /nfs/dbraw/zinc/13/58/23/411135823.db2.gz DMBDHRYZIDHCIV-UHFFFAOYSA-N -1 3 239.290 3.296 20 0 BGADHM CCCCN(C)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000652367577 411219506 /nfs/dbraw/zinc/21/95/06/411219506.db2.gz LJONKXPADODNHM-JTQLQIEISA-N -1 3 239.315 3.079 20 0 BGADHM CCCCN(C)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000652367578 411219346 /nfs/dbraw/zinc/21/93/46/411219346.db2.gz LJONKXPADODNHM-SNVBAGLBSA-N -1 3 239.315 3.079 20 0 BGADHM O=C(CCC(F)F)Nc1c([O-])cccc1Cl ZINC000655110315 411496964 /nfs/dbraw/zinc/49/69/64/411496964.db2.gz HIZKXJFBIJQXDS-UHFFFAOYSA-N -1 3 249.644 3.029 20 0 BGADHM CC1(NCc2cccc([O-])c2Cl)CC=CC1 ZINC000655815790 411524822 /nfs/dbraw/zinc/52/48/22/411524822.db2.gz ILUROSQCDZSYFA-UHFFFAOYSA-N -1 3 237.730 3.244 20 0 BGADHM CC1(C)CC[C@@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000656749702 411343731 /nfs/dbraw/zinc/34/37/31/411343731.db2.gz WIMLMHMZVQUMKG-LLVKDONJSA-N -1 3 244.294 3.346 20 0 BGADHM CC1(C)CC[C@H]1c1nc(-c2ccc([O-])cc2)no1 ZINC000656749703 411343594 /nfs/dbraw/zinc/34/35/94/411343594.db2.gz WIMLMHMZVQUMKG-NSHDSACASA-N -1 3 244.294 3.346 20 0 BGADHM [O-]c1cccc(CN[C@@]23C[C@@H]2CCC3)c1Cl ZINC000657552995 411548678 /nfs/dbraw/zinc/54/86/78/411548678.db2.gz REKKXBALAQMIAI-GWCFXTLKSA-N -1 3 237.730 3.078 20 0 BGADHM [O-]c1cccc(CN[C@]23C[C@H]2CCC3)c1Cl ZINC000657553010 411548519 /nfs/dbraw/zinc/54/85/19/411548519.db2.gz REKKXBALAQMIAI-ZWNOBZJWSA-N -1 3 237.730 3.078 20 0 BGADHM CC(C)(F)CCNCc1cccc([O-])c1Cl ZINC000657645002 411568586 /nfs/dbraw/zinc/56/85/86/411568586.db2.gz IOXVZWAMTPQTLZ-UHFFFAOYSA-N -1 3 245.725 3.273 20 0 BGADHM [O-]c1cccc(CNCC2=CCCC2)c1Cl ZINC000657749727 411592272 /nfs/dbraw/zinc/59/22/72/411592272.db2.gz KMELFMWBCIHXMV-UHFFFAOYSA-N -1 3 237.730 3.246 20 0 BGADHM CC1(C)C[C@@]1(C)NCc1cccc([O-])c1Cl ZINC000657761939 411591392 /nfs/dbraw/zinc/59/13/92/411591392.db2.gz VQLMTNWNHWCOJT-CYBMUJFWSA-N -1 3 239.746 3.324 20 0 BGADHM CC1(C)C[C@]1(C)NCc1cccc([O-])c1Cl ZINC000657761944 411591828 /nfs/dbraw/zinc/59/18/28/411591828.db2.gz VQLMTNWNHWCOJT-ZDUSSCGKSA-N -1 3 239.746 3.324 20 0 BGADHM Cc1ccc([O-])c(C(=O)N2[C@H](C)CCC2(C)C)c1 ZINC000662032718 411348477 /nfs/dbraw/zinc/34/84/77/411348477.db2.gz HKEZDLNHNDEIJH-LLVKDONJSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1ccc([O-])c(C(=O)N2[C@@H](C)CCC2(C)C)c1 ZINC000662032720 411348636 /nfs/dbraw/zinc/34/86/36/411348636.db2.gz HKEZDLNHNDEIJH-NSHDSACASA-N -1 3 247.338 3.104 20 0 BGADHM Cc1cccc(C(=O)N2[C@H](C)CCC2(C)C)c1[O-] ZINC000662046135 411964223 /nfs/dbraw/zinc/96/42/23/411964223.db2.gz MJBQYZZXGMHWQQ-LLVKDONJSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1cccc(C(=O)N2[C@@H](C)CCC2(C)C)c1[O-] ZINC000662046136 411964001 /nfs/dbraw/zinc/96/40/01/411964001.db2.gz MJBQYZZXGMHWQQ-NSHDSACASA-N -1 3 247.338 3.104 20 0 BGADHM Cc1ccc(C(=O)N2[C@H](C)CCC2(C)C)c([O-])c1 ZINC000662046185 488120914 /nfs/dbraw/zinc/12/09/14/488120914.db2.gz UPVBZVOPWXEFMR-LLVKDONJSA-N -1 3 247.338 3.104 20 0 BGADHM Cc1ccc(C(=O)N2[C@@H](C)CCC2(C)C)c([O-])c1 ZINC000662046186 488121228 /nfs/dbraw/zinc/12/12/28/488121228.db2.gz UPVBZVOPWXEFMR-NSHDSACASA-N -1 3 247.338 3.104 20 0 BGADHM [O-]c1ccc(-c2noc(C3CC4(CC4)C3)n2)cc1 ZINC000663301856 412411762 /nfs/dbraw/zinc/41/17/62/412411762.db2.gz ZLFJJSLHWFJYFV-UHFFFAOYSA-N -1 3 242.278 3.100 20 0 BGADHM [O-]c1coc2cc(OCCCC3CCC3)ccc12 ZINC000664135421 411866972 /nfs/dbraw/zinc/86/69/72/411866972.db2.gz LIMCXHYVBPOUQH-UHFFFAOYSA-N -1 3 246.306 3.221 20 0 BGADHM CC(C)c1nnc([N-]CC(F)(F)C(C)(C)C)o1 ZINC000664609362 411998377 /nfs/dbraw/zinc/99/83/77/411998377.db2.gz DHHKOVAJKPMDOK-UHFFFAOYSA-N -1 3 247.289 3.286 20 0 BGADHM CC(C)(C)C(F)(F)C[N-]c1nnc(C2CC2)o1 ZINC000664609900 411997948 /nfs/dbraw/zinc/99/79/48/411997948.db2.gz RLJQAOYJNDAEGH-UHFFFAOYSA-N -1 3 245.273 3.040 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CCC2(C)C)c([O-])c1 ZINC000665202779 412134652 /nfs/dbraw/zinc/13/46/52/412134652.db2.gz OFRIIZXJEOYALG-JTQLQIEISA-N -1 3 233.311 3.075 20 0 BGADHM Cc1ccc(NC(=O)[C@H]2CCC2(C)C)c([O-])c1 ZINC000665202780 412134972 /nfs/dbraw/zinc/13/49/72/412134972.db2.gz OFRIIZXJEOYALG-SNVBAGLBSA-N -1 3 233.311 3.075 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC000665202917 412136928 /nfs/dbraw/zinc/13/69/28/412136928.db2.gz RWXZNPDHKIUIRD-QJPTWQEYSA-N -1 3 245.322 3.075 20 0 BGADHM Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC000665202919 412133591 /nfs/dbraw/zinc/13/35/91/412133591.db2.gz RWXZNPDHKIUIRD-UTUOFQBUSA-N -1 3 245.322 3.075 20 0 BGADHM CCn1nc(C)cc1-c1cc([O-])cc(Cl)c1 ZINC000665214266 487678744 /nfs/dbraw/zinc/67/87/44/487678744.db2.gz SRAXAAZYIUBMBV-UHFFFAOYSA-N -1 3 236.702 3.237 20 0 BGADHM CC1=CC[C@](C)(C(=O)Nc2ccccc2[O-])CC1 ZINC000666920921 487906010 /nfs/dbraw/zinc/90/60/10/487906010.db2.gz IDCMSDHIOCXELL-HNNXBMFYSA-N -1 3 245.322 3.467 20 0 BGADHM CC1=CC[C@@](C)(C(=O)Nc2ccccc2[O-])CC1 ZINC000666920922 487906315 /nfs/dbraw/zinc/90/63/15/487906315.db2.gz IDCMSDHIOCXELL-OAHLLOKOSA-N -1 3 245.322 3.467 20 0 BGADHM O=C(Nc1ccccc1[O-])C1CCC2(CC2)CC1 ZINC000666921159 487905477 /nfs/dbraw/zinc/90/54/77/487905477.db2.gz NQKTXBZAOXYRCS-UHFFFAOYSA-N -1 3 245.322 3.301 20 0 BGADHM O=C(Nc1ccccc1[O-])[C@@H]1CCCC2(CC2)C1 ZINC000666921214 487906537 /nfs/dbraw/zinc/90/65/37/487906537.db2.gz PCVHNYVJMWOTTG-LLVKDONJSA-N -1 3 245.322 3.301 20 0 BGADHM O=C(Nc1ccccc1[O-])[C@H]1CCCC2(CC2)C1 ZINC000666921215 487881155 /nfs/dbraw/zinc/88/11/55/487881155.db2.gz PCVHNYVJMWOTTG-NSHDSACASA-N -1 3 245.322 3.301 20 0 BGADHM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000669692831 487672156 /nfs/dbraw/zinc/67/21/56/487672156.db2.gz TWRFVGYPIBDKIC-GXSJLCMTSA-N -1 3 247.338 3.284 20 0 BGADHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000669692832 487672045 /nfs/dbraw/zinc/67/20/45/487672045.db2.gz TWRFVGYPIBDKIC-KOLCDFICSA-N -1 3 247.338 3.284 20 0 BGADHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000669692833 487671906 /nfs/dbraw/zinc/67/19/06/487671906.db2.gz TWRFVGYPIBDKIC-MWLCHTKSSA-N -1 3 247.338 3.284 20 0 BGADHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000669692834 487671981 /nfs/dbraw/zinc/67/19/81/487671981.db2.gz TWRFVGYPIBDKIC-ONGXEEELSA-N -1 3 247.338 3.284 20 0 BGADHM Cc1cc(C(=O)Nc2ccccc2[O-])cs1 ZINC000671664410 487678637 /nfs/dbraw/zinc/67/86/37/487678637.db2.gz ZDNMPHJQUXMXHB-UHFFFAOYSA-N -1 3 233.292 3.014 20 0 BGADHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])cs1 ZINC000671788278 487984670 /nfs/dbraw/zinc/98/46/70/487984670.db2.gz UVMBRDQDFCFYEG-UHFFFAOYSA-N -1 3 247.319 3.323 20 0 BGADHM C[C@H](C(=O)Nc1ccccc1[O-])C1CCCC1 ZINC000674134579 487524684 /nfs/dbraw/zinc/52/46/84/487524684.db2.gz GIAQDANGMWYNRT-JTQLQIEISA-N -1 3 233.311 3.157 20 0 BGADHM C[C@@H](C(=O)Nc1ccccc1[O-])C1CCCC1 ZINC000674134580 487524573 /nfs/dbraw/zinc/52/45/73/487524573.db2.gz GIAQDANGMWYNRT-SNVBAGLBSA-N -1 3 233.311 3.157 20 0 BGADHM Cc1ccc(NC(=O)[C@H](C)C2CCCC2)c([O-])c1 ZINC000674135128 487524638 /nfs/dbraw/zinc/52/46/38/487524638.db2.gz YEUCFRCCHRWMRI-LLVKDONJSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1ccc(NC(=O)[C@@H](C)C2CCCC2)c([O-])c1 ZINC000674135129 487524771 /nfs/dbraw/zinc/52/47/71/487524771.db2.gz YEUCFRCCHRWMRI-NSHDSACASA-N -1 3 247.338 3.465 20 0 BGADHM [O-]c1ccc(-c2noc([C@H]3CC34CCC4)n2)cc1 ZINC000675293496 487692197 /nfs/dbraw/zinc/69/21/97/487692197.db2.gz PTYWAGVAYUVDCK-LLVKDONJSA-N -1 3 242.278 3.100 20 0 BGADHM [O-]c1ccc(-c2noc([C@@H]3CC34CCC4)n2)cc1 ZINC000675293497 487692517 /nfs/dbraw/zinc/69/25/17/487692517.db2.gz PTYWAGVAYUVDCK-NSHDSACASA-N -1 3 242.278 3.100 20 0 BGADHM Cc1conc1[N-]C(=O)c1cc2occc2s1 ZINC000676457948 487851408 /nfs/dbraw/zinc/85/14/08/487851408.db2.gz AMCAPLOAICACET-UHFFFAOYSA-N -1 3 248.263 3.043 20 0 BGADHM CC(C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000677212092 488000715 /nfs/dbraw/zinc/00/07/15/488000715.db2.gz KTJYDXTVSWBMPI-MRVPVSSYSA-N -1 3 241.718 3.276 20 0 BGADHM CC(C)[C@H](C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000677212096 488000168 /nfs/dbraw/zinc/00/01/68/488000168.db2.gz KTJYDXTVSWBMPI-QMMMGPOBSA-N -1 3 241.718 3.276 20 0 BGADHM CCC(C)(C)CC(=O)Nc1cccc([O-])c1F ZINC000677801395 488125062 /nfs/dbraw/zinc/12/50/62/488125062.db2.gz NQEDYJKIZLJYPF-UHFFFAOYSA-N -1 3 239.290 3.296 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)c1ccco1 ZINC000679320472 488335457 /nfs/dbraw/zinc/33/54/57/488335457.db2.gz KMJLSJJTEPZIFK-JTQLQIEISA-N -1 3 245.278 3.036 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)c1ccco1 ZINC000679320473 488335401 /nfs/dbraw/zinc/33/54/01/488335401.db2.gz KMJLSJJTEPZIFK-SNVBAGLBSA-N -1 3 245.278 3.036 20 0 BGADHM Cc1cccc([O-])c1NC(=O)CCC(C)(F)F ZINC000679320688 488335172 /nfs/dbraw/zinc/33/51/72/488335172.db2.gz HOPKLNHQMLZEQO-UHFFFAOYSA-N -1 3 243.253 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@H](C)C1CCCC1 ZINC000679320746 488335471 /nfs/dbraw/zinc/33/54/71/488335471.db2.gz KNJDDAVBEQNOTC-LLVKDONJSA-N -1 3 247.338 3.465 20 0 BGADHM Cc1cccc([O-])c1NC(=O)[C@@H](C)C1CCCC1 ZINC000679320747 487899738 /nfs/dbraw/zinc/89/97/38/487899738.db2.gz KNJDDAVBEQNOTC-NSHDSACASA-N -1 3 247.338 3.465 20 0 BGADHM O=C([N-]c1csc2ccccc12)c1cnco1 ZINC000679336153 488341245 /nfs/dbraw/zinc/34/12/45/488341245.db2.gz UHFSCMKUYAAIDG-UHFFFAOYSA-N -1 3 244.275 3.142 20 0 BGADHM Cc1cc(C(=O)NC(C(C)C)C(C)C)ccc1[O-] ZINC000679409695 488351541 /nfs/dbraw/zinc/35/15/41/488351541.db2.gz KNGRKTNLUMGNQR-UHFFFAOYSA-N -1 3 249.354 3.111 20 0 BGADHM CCc1cc(C)nc(Sc2ccc([O-])cc2)n1 ZINC000680331735 487566199 /nfs/dbraw/zinc/56/61/99/487566199.db2.gz QWYWCWDDFMFVJC-UHFFFAOYSA-N -1 3 246.335 3.204 20 0 BGADHM CCc1cccc(-c2nc(C3CCC3)no2)c1[O-] ZINC000680690475 487633079 /nfs/dbraw/zinc/63/30/79/487633079.db2.gz BOOPUSBIPCHRFY-UHFFFAOYSA-N -1 3 244.294 3.272 20 0 BGADHM Cc1ccc(-c2nc(C3CCC3)no2)c([O-])c1C ZINC000680693760 487634984 /nfs/dbraw/zinc/63/49/84/487634984.db2.gz MFOKRBNKWICAOA-UHFFFAOYSA-N -1 3 244.294 3.327 20 0 BGADHM C=C/C(C)=C\CC(=O)Nc1ccc(C)cc1[O-] ZINC000682692943 488019306 /nfs/dbraw/zinc/01/93/06/488019306.db2.gz IWEZGGNPVWXJBZ-POHAHGRESA-N -1 3 231.295 3.162 20 0 BGADHM C=C/C(C)=C/CC(=O)Nc1ccc(C)cc1[O-] ZINC000682692944 488019976 /nfs/dbraw/zinc/01/99/76/488019976.db2.gz IWEZGGNPVWXJBZ-UXBLZVDNSA-N -1 3 231.295 3.162 20 0 BGADHM CC(C)c1ccc(C(=O)N2[C@H](C)C[C@H]2C)c([O-])c1 ZINC000684336107 488294500 /nfs/dbraw/zinc/29/45/00/488294500.db2.gz VYFOGLNEEPCKTO-GHMZBOCLSA-N -1 3 247.338 3.139 20 0 BGADHM CC(C)c1ccc(C(=O)N2[C@H](C)C[C@@H]2C)c([O-])c1 ZINC000684336108 488294284 /nfs/dbraw/zinc/29/42/84/488294284.db2.gz VYFOGLNEEPCKTO-PHIMTYICSA-N -1 3 247.338 3.139 20 0 BGADHM CC(C)c1ccc(C(=O)N2[C@@H](C)C[C@@H]2C)c([O-])c1 ZINC000684336109 487832958 /nfs/dbraw/zinc/83/29/58/487832958.db2.gz VYFOGLNEEPCKTO-QWRGUYRKSA-N -1 3 247.338 3.139 20 0 BGADHM O=C(CCC(F)F)Nc1cc(Cl)ccc1[O-] ZINC000684465761 488316678 /nfs/dbraw/zinc/31/66/78/488316678.db2.gz QNIULAZKMMTXDO-UHFFFAOYSA-N -1 3 249.644 3.029 20 0 BGADHM O=C(CCC(F)F)Nc1ccc(Cl)cc1[O-] ZINC000684469568 488318041 /nfs/dbraw/zinc/31/80/41/488318041.db2.gz CHJWCKQAQPAJLV-UHFFFAOYSA-N -1 3 249.644 3.029 20 0 BGADHM CCc1ccc(-c2nc(C3CCC3)no2)c([O-])c1 ZINC000685241607 487504806 /nfs/dbraw/zinc/50/48/06/487504806.db2.gz QVPPCBCGMZTGGO-UHFFFAOYSA-N -1 3 244.294 3.272 20 0 BGADHM CC(C)=CCC[C@@H](C)CC(=O)[N-]OC(C)C ZINC000700625873 712003164 /nfs/dbraw/zinc/00/31/64/712003164.db2.gz JKCKFWFZTUOYPX-GFCCVEGCSA-N -1 3 227.348 3.215 20 0 BGADHM CC(C)=CCC[C@H](C)CC(=O)[N-]OC(C)C ZINC000700625875 712003180 /nfs/dbraw/zinc/00/31/80/712003180.db2.gz JKCKFWFZTUOYPX-LBPRGKRZSA-N -1 3 227.348 3.215 20 0 BGADHM Cc1cccc([O-])c1C(=O)N1CCCCCCC1 ZINC000706649342 712151159 /nfs/dbraw/zinc/15/11/59/712151159.db2.gz FAXVHEHACPHXRT-UHFFFAOYSA-N -1 3 247.338 3.107 20 0 BGADHM CCC(C)(C)c1noc(-c2ccccc2[O-])n1 ZINC000710811459 712257402 /nfs/dbraw/zinc/25/74/02/712257402.db2.gz FSQFRUSWTQWRMA-UHFFFAOYSA-N -1 3 232.283 3.130 20 0 BGADHM CCC1(CC)CCCN1C(=O)c1ccccc1[O-] ZINC000721241756 711824724 /nfs/dbraw/zinc/82/47/24/711824724.db2.gz ZOPICCDHFHAHMG-UHFFFAOYSA-N -1 3 247.338 3.187 20 0 BGADHM O=C([N-]CC1CCCCCCC1)C(F)(F)F ZINC000725889038 583063967 /nfs/dbraw/zinc/06/39/67/583063967.db2.gz QXWKDLCLTVIVJL-UHFFFAOYSA-N -1 3 237.265 3.025 20 0 BGADHM O=C(OCc1ccoc1)c1cc2ccsc2[n-]1 ZINC000727044800 583594343 /nfs/dbraw/zinc/59/43/43/583594343.db2.gz PXQDESUXMWHBRR-UHFFFAOYSA-N -1 3 247.275 3.179 20 0 BGADHM CC/C=C\COC(=O)c1cc2ccsc2[n-]1 ZINC000727044957 583594567 /nfs/dbraw/zinc/59/45/67/583594567.db2.gz FJWWTHWTXNQEPJ-ARJAWSKDSA-N -1 3 235.308 3.352 20 0 BGADHM CC/C=C/COC(=O)c1cc2ccsc2[n-]1 ZINC000727044958 583594462 /nfs/dbraw/zinc/59/44/62/583594462.db2.gz FJWWTHWTXNQEPJ-ONEGZZNKSA-N -1 3 235.308 3.352 20 0 BGADHM CC(C)C[C@@H](C)CC(=O)[N-]OCc1ccccc1 ZINC000727673208 583733448 /nfs/dbraw/zinc/73/34/48/583733448.db2.gz VEBCDIQDCAXBFD-CYBMUJFWSA-N -1 3 249.354 3.307 20 0 BGADHM CC(C)C[C@H](C)CC(=O)[N-]OCc1ccccc1 ZINC000727673209 583733158 /nfs/dbraw/zinc/73/31/58/583733158.db2.gz VEBCDIQDCAXBFD-ZDUSSCGKSA-N -1 3 249.354 3.307 20 0 BGADHM c1csc([N-]c2ccn(-c3ccccc3)n2)n1 ZINC000727830030 583781528 /nfs/dbraw/zinc/78/15/28/583781528.db2.gz YIPVGROUJJHWBX-UHFFFAOYSA-N -1 3 242.307 3.072 20 0 BGADHM C[C@@H]1C[C@H]1COC(=O)c1cc2ccsc2[n-]1 ZINC000729089420 583955304 /nfs/dbraw/zinc/95/53/04/583955304.db2.gz FWIRTSNZBQYDAP-APPZFPTMSA-N -1 3 235.308 3.042 20 0 BGADHM C[C@H]1C[C@H]1COC(=O)c1cc2ccsc2[n-]1 ZINC000729089421 583955240 /nfs/dbraw/zinc/95/52/40/583955240.db2.gz FWIRTSNZBQYDAP-CBAPKCEASA-N -1 3 235.308 3.042 20 0 BGADHM C[C@H]1C[C@@H]1COC(=O)c1cc2ccsc2[n-]1 ZINC000729089422 583955142 /nfs/dbraw/zinc/95/51/42/583955142.db2.gz FWIRTSNZBQYDAP-IONNQARKSA-N -1 3 235.308 3.042 20 0 BGADHM C[C@@H]1C[C@@H]1COC(=O)c1cc2ccsc2[n-]1 ZINC000729089423 583955191 /nfs/dbraw/zinc/95/51/91/583955191.db2.gz FWIRTSNZBQYDAP-VXNVDRBHSA-N -1 3 235.308 3.042 20 0 BGADHM CC(C)(C)COC(=O)c1cc2ccsc2[n-]1 ZINC000729097232 583957514 /nfs/dbraw/zinc/95/75/14/583957514.db2.gz IXDORMCGYIFZPR-UHFFFAOYSA-N -1 3 237.324 3.432 20 0 BGADHM CC[C@@H](CC(=O)[N-]OCc1ccccc1)C(C)C ZINC000729304396 583990019 /nfs/dbraw/zinc/99/00/19/583990019.db2.gz QZJGBLBLJLQKGL-AWEZNQCLSA-N -1 3 249.354 3.307 20 0 BGADHM CC[C@H](CC(=O)[N-]OCc1ccccc1)C(C)C ZINC000729304398 583989934 /nfs/dbraw/zinc/98/99/34/583989934.db2.gz QZJGBLBLJLQKGL-CQSZACIVSA-N -1 3 249.354 3.307 20 0 BGADHM CC(C)CC(CC(C)C)[N-]C(=O)C(F)(F)F ZINC000729373346 583995895 /nfs/dbraw/zinc/99/58/95/583995895.db2.gz IPUCCFKWBIUJFJ-UHFFFAOYSA-N -1 3 239.281 3.126 20 0 BGADHM C[C@H](Cc1nc(-c2ccc([O-])cc2)no1)C1CC1 ZINC000731790040 584928812 /nfs/dbraw/zinc/92/88/12/584928812.db2.gz IQADVXOZWVYGHX-SECBINFHSA-N -1 3 244.294 3.031 20 0 BGADHM C[C@@H](Cc1nc(-c2ccc([O-])cc2)no1)C1CC1 ZINC000731790041 584928886 /nfs/dbraw/zinc/92/88/86/584928886.db2.gz IQADVXOZWVYGHX-VIFPVBQESA-N -1 3 244.294 3.031 20 0 BGADHM CCO[N-]C(=O)C(C)(C)CCCc1ccccc1 ZINC000732952868 584942104 /nfs/dbraw/zinc/94/21/04/584942104.db2.gz NSOXTDSROVAISU-UHFFFAOYSA-N -1 3 249.354 3.103 20 0 BGADHM O=C(O[C@H]1C=CCCC1)c1cc2ccsc2[n-]1 ZINC000733406627 584948084 /nfs/dbraw/zinc/94/80/84/584948084.db2.gz IXXJALLMIGPUTQ-JTQLQIEISA-N -1 3 247.319 3.495 20 0 BGADHM O=C(O[C@@H]1C=CCCC1)c1cc2ccsc2[n-]1 ZINC000733406628 584948066 /nfs/dbraw/zinc/94/80/66/584948066.db2.gz IXXJALLMIGPUTQ-SNVBAGLBSA-N -1 3 247.319 3.495 20 0 BGADHM CC(C)CCSc1ccccc1-c1nn[n-]n1 ZINC000735820975 584982127 /nfs/dbraw/zinc/98/21/27/584982127.db2.gz ZQTLDOCPZGLBQK-UHFFFAOYSA-N -1 3 248.355 3.005 20 0 BGADHM CC(C)CCSc1ccccc1-c1nnn[n-]1 ZINC000735820975 584982126 /nfs/dbraw/zinc/98/21/26/584982126.db2.gz ZQTLDOCPZGLBQK-UHFFFAOYSA-N -1 3 248.355 3.005 20 0 BGADHM CC(C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735913634 599324943 /nfs/dbraw/zinc/32/49/43/599324943.db2.gz LNGXOIKJVPDVPT-SECBINFHSA-N -1 3 248.355 3.069 20 0 BGADHM CC(C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735913634 599324941 /nfs/dbraw/zinc/32/49/41/599324941.db2.gz LNGXOIKJVPDVPT-SECBINFHSA-N -1 3 248.355 3.069 20 0 BGADHM CC(C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735913636 599324953 /nfs/dbraw/zinc/32/49/53/599324953.db2.gz LNGXOIKJVPDVPT-VIFPVBQESA-N -1 3 248.355 3.069 20 0 BGADHM CC(C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735913636 599324952 /nfs/dbraw/zinc/32/49/52/599324952.db2.gz LNGXOIKJVPDVPT-VIFPVBQESA-N -1 3 248.355 3.069 20 0 BGADHM CCC(CC)Sc1ccccc1-c1nn[n-]n1 ZINC000736348367 584998535 /nfs/dbraw/zinc/99/85/35/584998535.db2.gz AENJUEYKBDZUCI-UHFFFAOYSA-N -1 3 248.355 3.147 20 0 BGADHM CCC(CC)Sc1ccccc1-c1nnn[n-]1 ZINC000736348367 584998534 /nfs/dbraw/zinc/99/85/34/584998534.db2.gz AENJUEYKBDZUCI-UHFFFAOYSA-N -1 3 248.355 3.147 20 0 BGADHM CCC(CC)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000736349704 598244148 /nfs/dbraw/zinc/24/41/48/598244148.db2.gz IUSCDABKTFWTLB-UHFFFAOYSA-N -1 3 248.355 3.147 20 0 BGADHM CCC(CC)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000736349704 598244146 /nfs/dbraw/zinc/24/41/46/598244146.db2.gz IUSCDABKTFWTLB-UHFFFAOYSA-N -1 3 248.355 3.147 20 0 BGADHM CCCCCSc1ccc(-c2nn[n-]n2)cc1 ZINC000736451367 585003175 /nfs/dbraw/zinc/00/31/75/585003175.db2.gz LKXBZTAFVSLWGN-UHFFFAOYSA-N -1 3 248.355 3.149 20 0 BGADHM CCCCCSc1ccc(-c2nnn[n-]2)cc1 ZINC000736451367 585003174 /nfs/dbraw/zinc/00/31/74/585003174.db2.gz LKXBZTAFVSLWGN-UHFFFAOYSA-N -1 3 248.355 3.149 20 0 BGADHM CCCS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736497397 585004431 /nfs/dbraw/zinc/00/44/31/585004431.db2.gz GOCWDPYCZQDXCH-SECBINFHSA-N -1 3 248.355 3.071 20 0 BGADHM CCCS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736497397 585004430 /nfs/dbraw/zinc/00/44/30/585004430.db2.gz GOCWDPYCZQDXCH-SECBINFHSA-N -1 3 248.355 3.071 20 0 BGADHM CCCS[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736497398 585004559 /nfs/dbraw/zinc/00/45/59/585004559.db2.gz GOCWDPYCZQDXCH-VIFPVBQESA-N -1 3 248.355 3.071 20 0 BGADHM CCCS[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736497398 585004558 /nfs/dbraw/zinc/00/45/58/585004558.db2.gz GOCWDPYCZQDXCH-VIFPVBQESA-N -1 3 248.355 3.071 20 0 BGADHM CC[C@@H](C)OC(=O)c1ccc(Cl)cc1[O-] ZINC000738568252 585047416 /nfs/dbraw/zinc/04/74/16/585047416.db2.gz IMRPKTGRWMTDJP-SSDOTTSWSA-N -1 3 228.675 3.001 20 0 BGADHM CC[C@H](C)OC(=O)c1ccc(Cl)cc1[O-] ZINC000738568253 585047543 /nfs/dbraw/zinc/04/75/43/585047543.db2.gz IMRPKTGRWMTDJP-ZETCQYMHSA-N -1 3 228.675 3.001 20 0 BGADHM CSc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000742219598 585123559 /nfs/dbraw/zinc/12/35/59/585123559.db2.gz CHGGXEXNZMJWOX-DAXSKMNVSA-N -1 3 244.319 3.075 20 0 BGADHM CSc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000742219600 585123247 /nfs/dbraw/zinc/12/32/47/585123247.db2.gz CHGGXEXNZMJWOX-QPJJXVBHSA-N -1 3 244.319 3.075 20 0 BGADHM O=c1ccnc(C=Cc2cccc(Cl)c2)[n-]1 ZINC000742220851 585123394 /nfs/dbraw/zinc/12/33/94/585123394.db2.gz AXQYZSBAJWQIGK-PLNGDYQASA-N -1 3 232.670 3.006 20 0 BGADHM O=c1ccnc(C=Cc2cccc(Cl)c2)[n-]1 ZINC000742220852 585123349 /nfs/dbraw/zinc/12/33/49/585123349.db2.gz AXQYZSBAJWQIGK-SNAWJCMRSA-N -1 3 232.670 3.006 20 0 BGADHM O=c1ccnc(C=Cc2ccccc2Cl)[n-]1 ZINC000742221220 585123320 /nfs/dbraw/zinc/12/33/20/585123320.db2.gz GDGLMFDCKBHUTQ-AATRIKPKSA-N -1 3 232.670 3.006 20 0 BGADHM O=c1ccnc(C=Cc2ccccc2Cl)[n-]1 ZINC000742221222 585123468 /nfs/dbraw/zinc/12/34/68/585123468.db2.gz GDGLMFDCKBHUTQ-WAYWQWQTSA-N -1 3 232.670 3.006 20 0 BGADHM Cc1cc(C)c(C=Cc2nccc(=O)[n-]2)cc1C ZINC000742221259 585123487 /nfs/dbraw/zinc/12/34/87/585123487.db2.gz HAZJHOQJIOVYCS-PLNGDYQASA-N -1 3 240.306 3.278 20 0 BGADHM Cc1cc(C)c(C=Cc2nccc(=O)[n-]2)cc1C ZINC000742221263 585123509 /nfs/dbraw/zinc/12/35/09/585123509.db2.gz HAZJHOQJIOVYCS-SNAWJCMRSA-N -1 3 240.306 3.278 20 0 BGADHM CCCCCC[C@@](C)(CC)C(=O)[N-]OCC ZINC000742511789 585127389 /nfs/dbraw/zinc/12/73/89/585127389.db2.gz SEACUTKJJMCTHQ-CYBMUJFWSA-N -1 3 229.364 3.441 20 0 BGADHM CCCCCC[C@](C)(CC)C(=O)[N-]OCC ZINC000742511790 585127483 /nfs/dbraw/zinc/12/74/83/585127483.db2.gz SEACUTKJJMCTHQ-ZDUSSCGKSA-N -1 3 229.364 3.441 20 0 BGADHM CCCCCC[C@@](C)(CC)C(=O)[N-]OC ZINC000742517665 585127498 /nfs/dbraw/zinc/12/74/98/585127498.db2.gz CCIJVANUMZVXIR-GFCCVEGCSA-N -1 3 215.337 3.051 20 0 BGADHM CCCCCC[C@](C)(CC)C(=O)[N-]OC ZINC000742517666 585127463 /nfs/dbraw/zinc/12/74/63/585127463.db2.gz CCIJVANUMZVXIR-LBPRGKRZSA-N -1 3 215.337 3.051 20 0 BGADHM CCCCCC[C@@](C)(CCC)C(=O)[N-]OC ZINC000742519274 585127661 /nfs/dbraw/zinc/12/76/61/585127661.db2.gz UOSOZNLDSPEYMH-CYBMUJFWSA-N -1 3 229.364 3.441 20 0 BGADHM CCCCCC[C@](C)(CCC)C(=O)[N-]OC ZINC000742519275 585127613 /nfs/dbraw/zinc/12/76/13/585127613.db2.gz UOSOZNLDSPEYMH-ZDUSSCGKSA-N -1 3 229.364 3.441 20 0 BGADHM O=C([N-]CCCCC1CCCC1)C(F)(F)F ZINC000742879797 585132244 /nfs/dbraw/zinc/13/22/44/585132244.db2.gz OTPZOICWAQHGHZ-UHFFFAOYSA-N -1 3 237.265 3.025 20 0 BGADHM O=C(Nc1ncccc1[O-])C1CCCCCCC1 ZINC000743289933 585134687 /nfs/dbraw/zinc/13/46/87/585134687.db2.gz GHEXUGJIDALFAK-UHFFFAOYSA-N -1 3 248.326 3.086 20 0 BGADHM Cc1ccc([C@H](C)C(=O)Nc2ccccc2[O-])o1 ZINC000743293188 585134753 /nfs/dbraw/zinc/13/47/53/585134753.db2.gz UBIIOBFCTFEOND-JTQLQIEISA-N -1 3 245.278 3.036 20 0 BGADHM Cc1ccc([C@@H](C)C(=O)Nc2ccccc2[O-])o1 ZINC000743293189 585134663 /nfs/dbraw/zinc/13/46/63/585134663.db2.gz UBIIOBFCTFEOND-SNVBAGLBSA-N -1 3 245.278 3.036 20 0 BGADHM O=C(OCC1CCC1)c1cc2ccsc2[n-]1 ZINC000744197542 585145894 /nfs/dbraw/zinc/14/58/94/585145894.db2.gz DFBHYLMIVZTETM-UHFFFAOYSA-N -1 3 235.308 3.186 20 0 BGADHM O=C(OCC1CCC1)c1cc(Cl)c(Cl)[n-]1 ZINC000744198250 585145972 /nfs/dbraw/zinc/14/59/72/585145972.db2.gz KOTMPHFXNWCHQZ-UHFFFAOYSA-N -1 3 248.109 3.278 20 0 BGADHM O=C(OCCC1CC1)c1cc2ccsc2[n-]1 ZINC000744282275 585147056 /nfs/dbraw/zinc/14/70/56/585147056.db2.gz ZVCKVHAJADNBDU-UHFFFAOYSA-N -1 3 235.308 3.186 20 0 BGADHM O=C(OCCC1CC1)c1cc(Cl)c(Cl)[n-]1 ZINC000744285339 632724767 /nfs/dbraw/zinc/72/47/67/632724767.db2.gz SYEFSLCMCOVYNS-UHFFFAOYSA-N -1 3 248.109 3.278 20 0 BGADHM O=C(OCC1CCC1)c1ccc(Cl)cc1[O-] ZINC000744471417 585150788 /nfs/dbraw/zinc/15/07/88/585150788.db2.gz CPZJXOMLWLTOOC-UHFFFAOYSA-N -1 3 240.686 3.003 20 0 BGADHM O=C(OCCC1CC1)c1ccc(Cl)cc1[O-] ZINC000744472127 585150874 /nfs/dbraw/zinc/15/08/74/585150874.db2.gz KGOOVXIDAYIEQJ-UHFFFAOYSA-N -1 3 240.686 3.003 20 0 BGADHM CCC(C)(C)CCOC(=O)c1ccc([O-])cc1 ZINC000744475286 585150851 /nfs/dbraw/zinc/15/08/51/585150851.db2.gz KRXAVIALNCODJN-UHFFFAOYSA-N -1 3 236.311 3.375 20 0 BGADHM O=C(OCCC1CCCC1)c1ccc([O-])cc1 ZINC000744475853 585150809 /nfs/dbraw/zinc/15/08/09/585150809.db2.gz VVKDWENXYMTZND-UHFFFAOYSA-N -1 3 234.295 3.129 20 0 BGADHM O=c1ccnc(C=Cc2coc3ccccc23)[n-]1 ZINC000746520442 585169717 /nfs/dbraw/zinc/16/97/17/585169717.db2.gz NHRZAQBHXXKCHD-WAYWQWQTSA-N -1 3 238.246 3.099 20 0 BGADHM C/C(=C/C(=O)Nc1ccccc1[O-])C(C)(C)C ZINC000748011958 585186471 /nfs/dbraw/zinc/18/64/71/585186471.db2.gz JMIFHYBYOWDPIG-KTKRTIGZSA-N -1 3 233.311 3.323 20 0 BGADHM CCC[C@@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000748112061 585187230 /nfs/dbraw/zinc/18/72/30/585187230.db2.gz WFLGBSNRZDFMBZ-SECBINFHSA-N -1 3 248.282 3.015 20 0 BGADHM CCC[C@@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000748112061 585187229 /nfs/dbraw/zinc/18/72/29/585187229.db2.gz WFLGBSNRZDFMBZ-SECBINFHSA-N -1 3 248.282 3.015 20 0 BGADHM CCC[C@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000748112065 585187340 /nfs/dbraw/zinc/18/73/40/585187340.db2.gz WFLGBSNRZDFMBZ-VIFPVBQESA-N -1 3 248.282 3.015 20 0 BGADHM CCC[C@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000748112065 585187339 /nfs/dbraw/zinc/18/73/39/585187339.db2.gz WFLGBSNRZDFMBZ-VIFPVBQESA-N -1 3 248.282 3.015 20 0 BGADHM CCC[C@@H](C)CC(=O)[N-]OCc1ccccc1 ZINC000748698691 585194807 /nfs/dbraw/zinc/19/48/07/585194807.db2.gz HPYSIERWPPOIKU-GFCCVEGCSA-N -1 3 235.327 3.061 20 0 BGADHM CCC[C@H](C)CC(=O)[N-]OCc1ccccc1 ZINC000748698692 585194757 /nfs/dbraw/zinc/19/47/57/585194757.db2.gz HPYSIERWPPOIKU-LBPRGKRZSA-N -1 3 235.327 3.061 20 0 BGADHM CC(C)CO[N-]C(=O)C[C@@H](C)C1CCCCC1 ZINC000750022526 585209195 /nfs/dbraw/zinc/20/91/95/585209195.db2.gz XNFRUQBVRSKKHQ-GFCCVEGCSA-N -1 3 241.375 3.297 20 0 BGADHM CC(C)CO[N-]C(=O)C[C@H](C)C1CCCCC1 ZINC000750022527 585208995 /nfs/dbraw/zinc/20/89/95/585208995.db2.gz XNFRUQBVRSKKHQ-LBPRGKRZSA-N -1 3 241.375 3.297 20 0 BGADHM CCCCC[C@@H](C)CC(=O)[N-]OCC(C)C ZINC000750026569 585209570 /nfs/dbraw/zinc/20/95/70/585209570.db2.gz AWHBWNMJOFYSNO-GFCCVEGCSA-N -1 3 229.364 3.297 20 0 BGADHM CCCCC[C@H](C)CC(=O)[N-]OCC(C)C ZINC000750026572 585209573 /nfs/dbraw/zinc/20/95/73/585209573.db2.gz AWHBWNMJOFYSNO-LBPRGKRZSA-N -1 3 229.364 3.297 20 0 BGADHM CC(C)CCCCCC(=O)[N-]OCC(C)C ZINC000750217611 585212159 /nfs/dbraw/zinc/21/21/59/585212159.db2.gz ALAYUAXHOWUGRX-UHFFFAOYSA-N -1 3 229.364 3.297 20 0 BGADHM CC(C)CO[N-]C(=O)C[C@@H](C)CC(C)(C)C ZINC000750220550 585212515 /nfs/dbraw/zinc/21/25/15/585212515.db2.gz YOKCBCZMSQUVEK-LLVKDONJSA-N -1 3 229.364 3.153 20 0 BGADHM CC(C)CO[N-]C(=O)C[C@H](C)CC(C)(C)C ZINC000750220551 585212374 /nfs/dbraw/zinc/21/23/74/585212374.db2.gz YOKCBCZMSQUVEK-NSHDSACASA-N -1 3 229.364 3.153 20 0 BGADHM CCCCCC[C@@H](C)C(=O)[N-]OCC(C)C ZINC000750222142 585212421 /nfs/dbraw/zinc/21/24/21/585212421.db2.gz WKBVZSOXAQQNIW-GFCCVEGCSA-N -1 3 229.364 3.297 20 0 BGADHM CCCCCC[C@H](C)C(=O)[N-]OCC(C)C ZINC000750222143 585212352 /nfs/dbraw/zinc/21/23/52/585212352.db2.gz WKBVZSOXAQQNIW-LBPRGKRZSA-N -1 3 229.364 3.297 20 0 BGADHM CCCCCC(C)(C)C(=O)[N-]OCC(C)C ZINC000750228192 585212529 /nfs/dbraw/zinc/21/25/29/585212529.db2.gz HJOSJKRUXYCJIO-UHFFFAOYSA-N -1 3 229.364 3.297 20 0 BGADHM CCCC[C@@H](CC)CC(=O)[N-]OCC(C)C ZINC000750233755 585212369 /nfs/dbraw/zinc/21/23/69/585212369.db2.gz SDKRAARLIIGAEQ-GFCCVEGCSA-N -1 3 229.364 3.297 20 0 BGADHM CCCC[C@H](CC)CC(=O)[N-]OCC(C)C ZINC000750233758 585212447 /nfs/dbraw/zinc/21/24/47/585212447.db2.gz SDKRAARLIIGAEQ-LBPRGKRZSA-N -1 3 229.364 3.297 20 0 BGADHM O=C(OCC1CC=CC1)c1cc2ccsc2[n-]1 ZINC000750359782 585213554 /nfs/dbraw/zinc/21/35/54/585213554.db2.gz GPIWLRAGUDDNCV-UHFFFAOYSA-N -1 3 247.319 3.352 20 0 BGADHM CC(C)=C(C)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000751199494 585225562 /nfs/dbraw/zinc/22/55/62/585225562.db2.gz CDOLDZYNPQTNTK-UHFFFAOYSA-N -1 3 239.702 3.340 20 0 BGADHM CC[C@H](C)OC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751732269 585235693 /nfs/dbraw/zinc/23/56/93/585235693.db2.gz OFIQYPBYLYDWQT-LURJTMIESA-N -1 3 246.665 3.140 20 0 BGADHM CC[C@@H](C)OC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000751732272 585235635 /nfs/dbraw/zinc/23/56/35/585235635.db2.gz OFIQYPBYLYDWQT-ZCFIWIBFSA-N -1 3 246.665 3.140 20 0 BGADHM O=C(OC1(C2CC2)CC1)c1cc2ccsc2[n-]1 ZINC000751853422 585237889 /nfs/dbraw/zinc/23/78/89/585237889.db2.gz FDDMKEWZALVMJB-UHFFFAOYSA-N -1 3 247.319 3.329 20 0 BGADHM CC(C)CO[N-]C(=O)C[C@H]1CCCCC1(C)C ZINC000752147439 583945620 /nfs/dbraw/zinc/94/56/20/583945620.db2.gz AALLAWZFXYWOIJ-GFCCVEGCSA-N -1 3 241.375 3.297 20 0 BGADHM CC(C)CO[N-]C(=O)C[C@@H]1CCCCC1(C)C ZINC000752147445 583945580 /nfs/dbraw/zinc/94/55/80/583945580.db2.gz AALLAWZFXYWOIJ-LBPRGKRZSA-N -1 3 241.375 3.297 20 0 BGADHM CC(C)CO[N-]C(=O)CC1CCC(C)(C)CC1 ZINC000752149234 585242927 /nfs/dbraw/zinc/24/29/27/585242927.db2.gz QZJBMCDBRMSFLZ-UHFFFAOYSA-N -1 3 241.375 3.297 20 0 BGADHM C/C(=C\C(=O)Nc1nc(C)ccc1[O-])C(C)(C)C ZINC000753464809 585259314 /nfs/dbraw/zinc/25/93/14/585259314.db2.gz IHPVGFDBHRGHTF-CMDGGOBGSA-N -1 3 248.326 3.027 20 0 BGADHM C/C(=C/C(=O)Nc1nc(C)ccc1[O-])C(C)(C)C ZINC000753464813 585259270 /nfs/dbraw/zinc/25/92/70/585259270.db2.gz IHPVGFDBHRGHTF-HJWRWDBZSA-N -1 3 248.326 3.027 20 0 BGADHM CCCC[C@@H](CCC)C[N-]C(=O)C(F)(F)F ZINC000753777354 585268959 /nfs/dbraw/zinc/26/89/59/585268959.db2.gz XQMAQOFGRZMVGM-SECBINFHSA-N -1 3 239.281 3.271 20 0 BGADHM CCCC[C@H](CCC)C[N-]C(=O)C(F)(F)F ZINC000753777356 585268671 /nfs/dbraw/zinc/26/86/71/585268671.db2.gz XQMAQOFGRZMVGM-VIFPVBQESA-N -1 3 239.281 3.271 20 0 BGADHM CCO[N-]C(=O)C[C@@H]1C[C@@H](C)c2c1cccc2C ZINC000754173658 585279709 /nfs/dbraw/zinc/27/97/09/585279709.db2.gz IGIKWFNNHVHYBN-NEPJUHHUSA-N -1 3 247.338 3.044 20 0 BGADHM CCO[N-]C(=O)C[C@H]1C[C@H](C)c2c1cccc2C ZINC000754173659 585279602 /nfs/dbraw/zinc/27/96/02/585279602.db2.gz IGIKWFNNHVHYBN-NWDGAFQWSA-N -1 3 247.338 3.044 20 0 BGADHM CCO[N-]C(=O)C[C@@H]1C[C@H](C)c2c1cccc2C ZINC000754173660 585279573 /nfs/dbraw/zinc/27/95/73/585279573.db2.gz IGIKWFNNHVHYBN-RYUDHWBXSA-N -1 3 247.338 3.044 20 0 BGADHM CCO[N-]C(=O)C[C@H]1C[C@@H](C)c2c1cccc2C ZINC000754173661 585279780 /nfs/dbraw/zinc/27/97/80/585279780.db2.gz IGIKWFNNHVHYBN-VXGBXAGGSA-N -1 3 247.338 3.044 20 0 BGADHM CCCCO[N-]C(=O)CCC1CCCCC1 ZINC000754280182 585282077 /nfs/dbraw/zinc/28/20/77/585282077.db2.gz KIJYSMSKTMUCOP-UHFFFAOYSA-N -1 3 227.348 3.195 20 0 BGADHM CC(C)CCO[N-]C(=O)CCC1CCCCC1 ZINC000754282677 585282056 /nfs/dbraw/zinc/28/20/56/585282056.db2.gz ZUFFETHSCUVFLW-UHFFFAOYSA-N -1 3 241.375 3.441 20 0 BGADHM CC(C)CO[N-]C(=O)[C@H](C)CCC(C)(C)C ZINC000754427166 585284512 /nfs/dbraw/zinc/28/45/12/585284512.db2.gz MXFNGKVSTVKMRV-LLVKDONJSA-N -1 3 229.364 3.153 20 0 BGADHM CC(C)CO[N-]C(=O)[C@@H](C)CCC(C)(C)C ZINC000754427167 585284324 /nfs/dbraw/zinc/28/43/24/585284324.db2.gz MXFNGKVSTVKMRV-NSHDSACASA-N -1 3 229.364 3.153 20 0 BGADHM CCC(CC)OC(=O)c1ccc([O-])c(C)c1 ZINC000754881341 585291416 /nfs/dbraw/zinc/29/14/16/585291416.db2.gz DUNWIEICXHNUJW-UHFFFAOYSA-N -1 3 222.284 3.046 20 0 BGADHM CC(C)CO[N-]C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000756020628 585313340 /nfs/dbraw/zinc/31/33/40/585313340.db2.gz KEIFZADQFONOQJ-GFCCVEGCSA-N -1 3 241.375 3.297 20 0 BGADHM CC(C)CO[N-]C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000756020630 585313477 /nfs/dbraw/zinc/31/34/77/585313477.db2.gz KEIFZADQFONOQJ-LBPRGKRZSA-N -1 3 241.375 3.297 20 0 BGADHM Cc1ccc(NC(=O)/C=C2/CC[C@H](C)C2)c([O-])c1 ZINC000756765235 585322799 /nfs/dbraw/zinc/32/27/99/585322799.db2.gz LPZAXKPSFAYSMI-JMZICWNOSA-N -1 3 245.322 3.386 20 0 BGADHM Cc1ccc(NC(=O)/C=C2\CC[C@H](C)C2)c([O-])c1 ZINC000756765236 585322987 /nfs/dbraw/zinc/32/29/87/585322987.db2.gz LPZAXKPSFAYSMI-LZAIMSLLSA-N -1 3 245.322 3.386 20 0 BGADHM Cc1ccc(NC(=O)/C=C2\CC[C@@H](C)C2)c([O-])c1 ZINC000756765237 585322834 /nfs/dbraw/zinc/32/28/34/585322834.db2.gz LPZAXKPSFAYSMI-QSARLWQPSA-N -1 3 245.322 3.386 20 0 BGADHM Cc1ccc(NC(=O)/C=C2/CC[C@@H](C)C2)c([O-])c1 ZINC000756765238 585323037 /nfs/dbraw/zinc/32/30/37/585323037.db2.gz LPZAXKPSFAYSMI-WJEYQPDNSA-N -1 3 245.322 3.386 20 0 BGADHM C[C@H]1CC/C(=C/C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000756768222 585322812 /nfs/dbraw/zinc/32/28/12/585322812.db2.gz XROCMIFHOKXGLT-CBFJXKFUSA-N -1 3 249.285 3.216 20 0 BGADHM C[C@H]1CC/C(=C\C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000756768224 585322982 /nfs/dbraw/zinc/32/29/82/585322982.db2.gz XROCMIFHOKXGLT-HZAKCSEPSA-N -1 3 249.285 3.216 20 0 BGADHM C[C@@H]1CC/C(=C/C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000756768227 585322825 /nfs/dbraw/zinc/32/28/25/585322825.db2.gz XROCMIFHOKXGLT-SBMLRHLQSA-N -1 3 249.285 3.216 20 0 BGADHM C[C@@H]1CC/C(=C\C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000756768229 585322822 /nfs/dbraw/zinc/32/28/22/585322822.db2.gz XROCMIFHOKXGLT-YIXGCBLDSA-N -1 3 249.285 3.216 20 0 BGADHM CC1(OC(=O)c2cc3ccsc3[n-]2)CCC1 ZINC000757922465 585346992 /nfs/dbraw/zinc/34/69/92/585346992.db2.gz QGIXHUCUWHKEAA-UHFFFAOYSA-N -1 3 235.308 3.329 20 0 BGADHM CCC[C@H](C)OC(=O)c1ccc([O-])cc1C ZINC000758518576 585356738 /nfs/dbraw/zinc/35/67/38/585356738.db2.gz UOVYKMUOUBYGJF-JTQLQIEISA-N -1 3 222.284 3.046 20 0 BGADHM CCC[C@@H](C)OC(=O)c1ccc([O-])cc1C ZINC000758518579 585356682 /nfs/dbraw/zinc/35/66/82/585356682.db2.gz UOVYKMUOUBYGJF-SNVBAGLBSA-N -1 3 222.284 3.046 20 0 BGADHM CCCC1(C(=O)[N-]OCc2ccccc2)CCC1 ZINC000759111801 585364388 /nfs/dbraw/zinc/36/43/88/585364388.db2.gz JIPAEFZRRBRCDL-UHFFFAOYSA-N -1 3 247.338 3.205 20 0 BGADHM O=C(CCCC1CCCCC1)[N-]OCC(F)F ZINC000759349083 585370577 /nfs/dbraw/zinc/37/05/77/585370577.db2.gz HKCODLRIWLDSAQ-UHFFFAOYSA-N -1 3 249.301 3.050 20 0 BGADHM CCC/C=C\C(=O)Nc1cc(Cl)ccc1[O-] ZINC000759656070 585378041 /nfs/dbraw/zinc/37/80/41/585378041.db2.gz UDTRUYNEZUCOGJ-PLNGDYQASA-N -1 3 239.702 3.340 20 0 BGADHM CCC/C=C/C(=O)Nc1cc(Cl)ccc1[O-] ZINC000759656071 585378033 /nfs/dbraw/zinc/37/80/33/585378033.db2.gz UDTRUYNEZUCOGJ-SNAWJCMRSA-N -1 3 239.702 3.340 20 0 BGADHM CC(C)=C(C)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000759695847 585378602 /nfs/dbraw/zinc/37/86/02/585378602.db2.gz DPTLJYSBTRGIGH-UHFFFAOYSA-N -1 3 239.702 3.340 20 0 BGADHM CCC/C=C\C(=O)Nc1ccc(Cl)cc1[O-] ZINC000759698228 585378878 /nfs/dbraw/zinc/37/88/78/585378878.db2.gz REEZBXLVWWHXIN-PLNGDYQASA-N -1 3 239.702 3.340 20 0 BGADHM CCC/C=C/C(=O)Nc1ccc(Cl)cc1[O-] ZINC000759698230 585378952 /nfs/dbraw/zinc/37/89/52/585378952.db2.gz REEZBXLVWWHXIN-SNAWJCMRSA-N -1 3 239.702 3.340 20 0 BGADHM C/C=C(/C=C\C(=O)Nc1cc(F)ccc1[O-])CC ZINC000759704175 585378937 /nfs/dbraw/zinc/37/89/37/585378937.db2.gz DOKYIXDBIZKFAL-IKJNXXLOSA-N -1 3 249.285 3.382 20 0 BGADHM C/C=C(/C=C/C(=O)Nc1cc(F)ccc1[O-])CC ZINC000759704179 585378855 /nfs/dbraw/zinc/37/88/55/585378855.db2.gz DOKYIXDBIZKFAL-ZVBUZHGDSA-N -1 3 249.285 3.382 20 0 BGADHM CCO[N-]C(=O)Nc1c(C)cc(C)cc1Cl ZINC000759931731 585382946 /nfs/dbraw/zinc/38/29/46/585382946.db2.gz HSEALCZWKRKDFT-UHFFFAOYSA-N -1 3 242.706 3.030 20 0 BGADHM CCC(CC)(CC)C(=O)[N-]OCc1ccccc1 ZINC000760304033 585389907 /nfs/dbraw/zinc/38/99/07/585389907.db2.gz KAHJDDMDWVZVCJ-UHFFFAOYSA-N -1 3 249.354 3.451 20 0 BGADHM CCC[C@@H](C)c1noc(-c2ccccc2[O-])n1 ZINC000761843371 585420039 /nfs/dbraw/zinc/42/00/39/585420039.db2.gz KXXYAPICJCCXCK-SECBINFHSA-N -1 3 232.283 3.346 20 0 BGADHM CCC[C@H](C)c1noc(-c2ccccc2[O-])n1 ZINC000761843373 585420006 /nfs/dbraw/zinc/42/00/06/585420006.db2.gz KXXYAPICJCCXCK-VIFPVBQESA-N -1 3 232.283 3.346 20 0 BGADHM CCC(CC)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000762110775 641717529 /nfs/dbraw/zinc/71/75/29/641717529.db2.gz OUIXMWHEKTXPKS-UHFFFAOYSA-N -1 3 248.282 3.015 20 0 BGADHM CCC(CC)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000762110775 641717526 /nfs/dbraw/zinc/71/75/26/641717526.db2.gz OUIXMWHEKTXPKS-UHFFFAOYSA-N -1 3 248.282 3.015 20 0 BGADHM Cc1ccc(CC(=O)[N-]OCCCC(C)C)cc1 ZINC000762212244 585429172 /nfs/dbraw/zinc/42/91/72/585429172.db2.gz TXIWBZYIOLIDPR-UHFFFAOYSA-N -1 3 249.354 3.022 20 0 BGADHM CCCCCCC(=O)Nc1cccc([O-])c1F ZINC000762313156 585430568 /nfs/dbraw/zinc/43/05/68/585430568.db2.gz STRFXKSGCTZIOB-UHFFFAOYSA-N -1 3 239.290 3.440 20 0 BGADHM C[C@H]1CC/C(=C/C(=O)Nc2cccc([O-])c2F)C1 ZINC000762317698 585430921 /nfs/dbraw/zinc/43/09/21/585430921.db2.gz QQIHAUHLSOAYKK-CUQRQBARSA-N -1 3 249.285 3.216 20 0 BGADHM C[C@@H]1CC/C(=C\C(=O)Nc2cccc([O-])c2F)C1 ZINC000762317701 585430951 /nfs/dbraw/zinc/43/09/51/585430951.db2.gz QQIHAUHLSOAYKK-NCXKZPMSSA-N -1 3 249.285 3.216 20 0 BGADHM C[C@@H]1CC/C(=C/C(=O)Nc2cccc([O-])c2F)C1 ZINC000762317704 585430750 /nfs/dbraw/zinc/43/07/50/585430750.db2.gz QQIHAUHLSOAYKK-URLRMUCDSA-N -1 3 249.285 3.216 20 0 BGADHM C[C@H]1CC/C(=C\C(=O)Nc2cccc([O-])c2F)C1 ZINC000762317706 585430774 /nfs/dbraw/zinc/43/07/74/585430774.db2.gz QQIHAUHLSOAYKK-WKMLFNHBSA-N -1 3 249.285 3.216 20 0 BGADHM CCC/C(C)=C/C(=O)Nc1cccc([O-])c1F ZINC000762320364 585430788 /nfs/dbraw/zinc/43/07/88/585430788.db2.gz PWGMCECAMXOZJX-CMDGGOBGSA-N -1 3 237.274 3.216 20 0 BGADHM CCC/C(C)=C\C(=O)Nc1cccc([O-])c1F ZINC000762320366 585430843 /nfs/dbraw/zinc/43/08/43/585430843.db2.gz PWGMCECAMXOZJX-HJWRWDBZSA-N -1 3 237.274 3.216 20 0 BGADHM O=C(C=C1CCCCC1)Nc1cccc([O-])c1F ZINC000762320420 585430745 /nfs/dbraw/zinc/43/07/45/585430745.db2.gz SUKIIUVTAUUHDL-UHFFFAOYSA-N -1 3 249.285 3.360 20 0 BGADHM Cc1ccc(NC(=O)C(F)=C2CCCC2)c([O-])c1 ZINC000762595062 585434383 /nfs/dbraw/zinc/43/43/83/585434383.db2.gz XPFJPJPXMPAPAM-UHFFFAOYSA-N -1 3 249.285 3.437 20 0 BGADHM O=C(Nc1ccccc1[O-])C(F)=C1CCCC1 ZINC000762595153 585434334 /nfs/dbraw/zinc/43/43/34/585434334.db2.gz ZVFWCTCXJMFENW-UHFFFAOYSA-N -1 3 235.258 3.128 20 0 BGADHM CCC1(C[N-]C(=O)C(F)(F)F)CCCCC1 ZINC000762770703 585436921 /nfs/dbraw/zinc/43/69/21/585436921.db2.gz NCVJOGGEANNEBI-UHFFFAOYSA-N -1 3 237.265 3.025 20 0 BGADHM CCC/C(C)=C\C(=O)Nc1ccccc1[O-] ZINC000762788948 585437373 /nfs/dbraw/zinc/43/73/73/585437373.db2.gz SJUQXDIRWBUVDB-KTKRTIGZSA-N -1 3 219.284 3.077 20 0 BGADHM CCC/C(C)=C/C(=O)Nc1ccccc1[O-] ZINC000762788949 585437269 /nfs/dbraw/zinc/43/72/69/585437269.db2.gz SJUQXDIRWBUVDB-MDZDMXLPSA-N -1 3 219.284 3.077 20 0 BGADHM CCC/C(C)=C\C(=O)Nc1ccc(C)cc1[O-] ZINC000762789824 585437424 /nfs/dbraw/zinc/43/74/24/585437424.db2.gz YTOAABFIHXKQFG-KTKRTIGZSA-N -1 3 233.311 3.386 20 0 BGADHM CCC/C(C)=C/C(=O)Nc1ccc(C)cc1[O-] ZINC000762789826 585437433 /nfs/dbraw/zinc/43/74/33/585437433.db2.gz YTOAABFIHXKQFG-MDZDMXLPSA-N -1 3 233.311 3.386 20 0 BGADHM CCC/C(C)=C\C(=O)Nc1cc(F)ccc1[O-] ZINC000762817288 585437681 /nfs/dbraw/zinc/43/76/81/585437681.db2.gz GMLFLKXARITJES-CLFYSBASSA-N -1 3 237.274 3.216 20 0 BGADHM CCC/C(C)=C/C(=O)Nc1cc(F)ccc1[O-] ZINC000762817289 585437865 /nfs/dbraw/zinc/43/78/65/585437865.db2.gz GMLFLKXARITJES-VQHVLOKHSA-N -1 3 237.274 3.216 20 0 BGADHM Cc1cc(=O)[n-]c(CSC(C)(C)C(C)C)n1 ZINC000762975413 585440764 /nfs/dbraw/zinc/44/07/64/585440764.db2.gz WYHXLACTWDUBNV-UHFFFAOYSA-N -1 3 240.372 3.158 20 0 BGADHM CC(C)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000763543232 585450066 /nfs/dbraw/zinc/45/00/66/585450066.db2.gz PZHMNSLOYPQJTQ-MRVPVSSYSA-N -1 3 237.324 3.431 20 0 BGADHM CC(C)[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000763543235 585449992 /nfs/dbraw/zinc/44/99/92/585449992.db2.gz PZHMNSLOYPQJTQ-QMMMGPOBSA-N -1 3 237.324 3.431 20 0 BGADHM CCC1(C(=O)[N-]OCC(C)C)CCCCC1 ZINC000764268109 585463229 /nfs/dbraw/zinc/46/32/29/585463229.db2.gz ZNXJUZVXBVXUIR-UHFFFAOYSA-N -1 3 227.348 3.051 20 0 BGADHM CCC1(C(=O)[N-]OC2CCCC2)CCCCC1 ZINC000764321459 585463787 /nfs/dbraw/zinc/46/37/87/585463787.db2.gz WLPYMSBDYXZFFP-UHFFFAOYSA-N -1 3 239.359 3.337 20 0 BGADHM O=c1ccnc(C=Cc2ccc(Cl)s2)[n-]1 ZINC000764433043 585465285 /nfs/dbraw/zinc/46/52/85/585465285.db2.gz AHUJTAPWALCCAQ-RQOWECAXSA-N -1 3 238.699 3.068 20 0 BGADHM Cc1cc(C)c(C=Cc2nccc(=O)[n-]2)c(C)c1 ZINC000764433074 585465440 /nfs/dbraw/zinc/46/54/40/585465440.db2.gz BHLABUCEWZCVEA-PLNGDYQASA-N -1 3 240.306 3.278 20 0 BGADHM CC(C=Cc1nccc(=O)[n-]1)=Cc1ccccc1 ZINC000764433817 585465491 /nfs/dbraw/zinc/46/54/91/585465491.db2.gz FXPGNMJHPXAOQC-MQEUWQHPSA-N -1 3 238.290 3.299 20 0 BGADHM CC(C=Cc1nccc(=O)[n-]1)=Cc1ccccc1 ZINC000764433819 585465438 /nfs/dbraw/zinc/46/54/38/585465438.db2.gz FXPGNMJHPXAOQC-NJHWEWLZSA-N -1 3 238.290 3.299 20 0 BGADHM CC(C=Cc1nccc(=O)[n-]1)=Cc1ccccc1 ZINC000764433821 585465275 /nfs/dbraw/zinc/46/52/75/585465275.db2.gz FXPGNMJHPXAOQC-OFALOCIGSA-N -1 3 238.290 3.299 20 0 BGADHM CC(C)c1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000764435799 585465567 /nfs/dbraw/zinc/46/55/67/585465567.db2.gz PYZYJQGPNLWFGI-YVMONPNESA-N -1 3 240.306 3.476 20 0 BGADHM O=c1ccnc(C=Cc2ccccc2C2CC2)[n-]1 ZINC000764436355 585465593 /nfs/dbraw/zinc/46/55/93/585465593.db2.gz SRAANXMTCKAGGP-BQYQJAHWSA-N -1 3 238.290 3.230 20 0 BGADHM O=c1ccnc(C=Cc2ccccc2C2CC2)[n-]1 ZINC000764436357 585465788 /nfs/dbraw/zinc/46/57/88/585465788.db2.gz SRAANXMTCKAGGP-FPLPWBNLSA-N -1 3 238.290 3.230 20 0 BGADHM O=c1ccnc(C=Cc2cc3ccccc3o2)[n-]1 ZINC000764437360 585465526 /nfs/dbraw/zinc/46/55/26/585465526.db2.gz ZMHDVNYROWLEHB-WAYWQWQTSA-N -1 3 238.246 3.099 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)CCC1CCCCC1 ZINC000764552346 585467903 /nfs/dbraw/zinc/46/79/03/585467903.db2.gz LYPXXCIETFIUQG-GFCCVEGCSA-N -1 3 241.375 3.441 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)CCC1CCCCC1 ZINC000764552372 585467956 /nfs/dbraw/zinc/46/79/56/585467956.db2.gz LYPXXCIETFIUQG-LBPRGKRZSA-N -1 3 241.375 3.441 20 0 BGADHM C/C=C(/C=C\C(=O)[N-]OCc1ccccc1)CC ZINC000764610138 585469005 /nfs/dbraw/zinc/46/90/05/585469005.db2.gz UVLLZPOIJHQQMJ-BGEZDZDMSA-N -1 3 245.322 3.147 20 0 BGADHM C/C=C(/C=C/C(=O)[N-]OCc1ccccc1)CC ZINC000764610140 585468967 /nfs/dbraw/zinc/46/89/67/585468967.db2.gz UVLLZPOIJHQQMJ-NZZGVPOCSA-N -1 3 245.322 3.147 20 0 BGADHM CCO[N-]C(=O)C/C=C/c1ccc(C(C)C)cc1 ZINC000764675222 585470798 /nfs/dbraw/zinc/47/07/98/585470798.db2.gz TVRNECNCXXZGRD-AATRIKPKSA-N -1 3 247.338 3.281 20 0 BGADHM CCO[N-]C(=O)C/C=C\c1ccc(C(C)C)cc1 ZINC000764675224 585470773 /nfs/dbraw/zinc/47/07/73/585470773.db2.gz TVRNECNCXXZGRD-WAYWQWQTSA-N -1 3 247.338 3.281 20 0 BGADHM CCO[N-]C(=O)CC1CCC(C(C)(C)C)CC1 ZINC000764678200 585470632 /nfs/dbraw/zinc/47/06/32/585470632.db2.gz HNUXMZYCBBJFGE-UHFFFAOYSA-N -1 3 241.375 3.297 20 0 BGADHM CCO[N-]C(=O)Nc1c(Cl)ccc(C)c1C ZINC000765421131 585485981 /nfs/dbraw/zinc/48/59/81/585485981.db2.gz NIONJEDXGLOMHF-UHFFFAOYSA-N -1 3 242.706 3.030 20 0 BGADHM Cc1ccc(C=Cc2nccc(=O)[n-]2)cc1Cl ZINC000766488933 585503314 /nfs/dbraw/zinc/50/33/14/585503314.db2.gz AJBGVCPHJBWEHP-PLNGDYQASA-N -1 3 246.697 3.314 20 0 BGADHM Cc1ccc(C=Cc2nccc(=O)[n-]2)cc1Cl ZINC000766488935 585503147 /nfs/dbraw/zinc/50/31/47/585503147.db2.gz AJBGVCPHJBWEHP-SNAWJCMRSA-N -1 3 246.697 3.314 20 0 BGADHM Cc1cc(Cl)ccc1C=Cc1nccc(=O)[n-]1 ZINC000767363155 585517873 /nfs/dbraw/zinc/51/78/73/585517873.db2.gz XBXVEUGBNOXADA-HWKANZROSA-N -1 3 246.697 3.314 20 0 BGADHM Cc1cc(Cl)ccc1C=Cc1nccc(=O)[n-]1 ZINC000767363159 585517647 /nfs/dbraw/zinc/51/76/47/585517647.db2.gz XBXVEUGBNOXADA-HYXAFXHYSA-N -1 3 246.697 3.314 20 0 BGADHM CC(C)(C)C(=O)[N-]OCc1cc2ccccc2o1 ZINC000767828980 585526589 /nfs/dbraw/zinc/52/65/89/585526589.db2.gz VIAFJOQEZPWKQI-UHFFFAOYSA-N -1 3 247.294 3.027 20 0 BGADHM CC/C=C\CCSCc1nc(C)cc(=O)[n-]1 ZINC000767865419 585527100 /nfs/dbraw/zinc/52/71/00/585527100.db2.gz GFBHFXLUOZOPNU-PLNGDYQASA-N -1 3 238.356 3.080 20 0 BGADHM CC/C=C/CCSCc1nc(C)cc(=O)[n-]1 ZINC000767865422 585526970 /nfs/dbraw/zinc/52/69/70/585526970.db2.gz GFBHFXLUOZOPNU-SNAWJCMRSA-N -1 3 238.356 3.080 20 0 BGADHM CCCCCCSCc1nc(C)cc(=O)[n-]1 ZINC000767869288 585527326 /nfs/dbraw/zinc/52/73/26/585527326.db2.gz ZGRCDEVYECPGOA-UHFFFAOYSA-N -1 3 240.372 3.304 20 0 BGADHM C/C=C(/C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000768665140 585541584 /nfs/dbraw/zinc/54/15/84/585541584.db2.gz WFWVCLYLMPFIJQ-FGUAACIASA-N -1 3 245.322 3.199 20 0 BGADHM C/C=C(\C)C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000768665143 585541624 /nfs/dbraw/zinc/54/16/24/585541624.db2.gz WFWVCLYLMPFIJQ-INJWIWPUSA-N -1 3 245.322 3.199 20 0 BGADHM C/C=C(\C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000768665147 585541582 /nfs/dbraw/zinc/54/15/82/585541582.db2.gz WFWVCLYLMPFIJQ-LLMHMKPQSA-N -1 3 245.322 3.199 20 0 BGADHM C/C=C(/C)C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000768665149 585541753 /nfs/dbraw/zinc/54/17/53/585541753.db2.gz WFWVCLYLMPFIJQ-NEOSZVFXSA-N -1 3 245.322 3.199 20 0 BGADHM O=C(Nc1ccccc1[O-])[C@H](F)c1ccccc1 ZINC000769559656 585559540 /nfs/dbraw/zinc/55/95/40/585559540.db2.gz PTTRTBNNFKTWHT-CYBMUJFWSA-N -1 3 245.253 3.042 20 0 BGADHM O=C(Nc1ccccc1[O-])[C@@H](F)c1ccccc1 ZINC000769559659 585559708 /nfs/dbraw/zinc/55/97/08/585559708.db2.gz PTTRTBNNFKTWHT-ZDUSSCGKSA-N -1 3 245.253 3.042 20 0 BGADHM CC(C)c1ccc(C(=O)N2CCC2(C)C)c([O-])c1 ZINC000769904203 585566244 /nfs/dbraw/zinc/56/62/44/585566244.db2.gz FCCJXRCWFZTBSV-UHFFFAOYSA-N -1 3 247.338 3.140 20 0 BGADHM O=c1ccnc(C=Cc2cscc2Cl)[n-]1 ZINC000771860910 585603038 /nfs/dbraw/zinc/60/30/38/585603038.db2.gz SNGCDVPFXSYLJH-OWOJBTEDSA-N -1 3 238.699 3.068 20 0 BGADHM O=c1ccnc(C=Cc2cscc2Cl)[n-]1 ZINC000771860922 585602910 /nfs/dbraw/zinc/60/29/10/585602910.db2.gz SNGCDVPFXSYLJH-UPHRSURJSA-N -1 3 238.699 3.068 20 0 BGADHM C/C(=C/C(C)(C)C)C(=O)[N-]OCc1ccccc1 ZINC000771881400 585603108 /nfs/dbraw/zinc/60/31/08/585603108.db2.gz IDTVWMAORYCZFO-BENRWUELSA-N -1 3 247.338 3.227 20 0 BGADHM C/C(=C\C(C)(C)C)C(=O)[N-]OCc1ccccc1 ZINC000771881401 585603234 /nfs/dbraw/zinc/60/32/34/585603234.db2.gz IDTVWMAORYCZFO-ZRDIBKRKSA-N -1 3 247.338 3.227 20 0 BGADHM CC(C)CO[N-]C(=O)Nc1ccc(C2CC2)cc1 ZINC000772568697 585618156 /nfs/dbraw/zinc/61/81/56/585618156.db2.gz UXVNDFDTIKTLFC-UHFFFAOYSA-N -1 3 248.326 3.273 20 0 BGADHM CC/C=C\CCOC(=O)c1c([O-])cccc1F ZINC000772590448 585618539 /nfs/dbraw/zinc/61/85/39/585618539.db2.gz DJAXFIUZVDHJHG-ARJAWSKDSA-N -1 3 238.258 3.044 20 0 BGADHM CC/C=C/CCOC(=O)c1c([O-])cccc1F ZINC000772590449 585618532 /nfs/dbraw/zinc/61/85/32/585618532.db2.gz DJAXFIUZVDHJHG-ONEGZZNKSA-N -1 3 238.258 3.044 20 0 BGADHM O=C([N-]OCc1ccccc1)C1=CCCCCC1 ZINC000772863699 585625696 /nfs/dbraw/zinc/62/56/96/585625696.db2.gz VHYHCAZEPXIVPZ-UHFFFAOYSA-N -1 3 245.322 3.125 20 0 BGADHM CC(C)(C)CCCC(=O)[N-]Oc1ccccc1 ZINC000773470500 585637519 /nfs/dbraw/zinc/63/75/19/585637519.db2.gz OTZUDBSXLVGEGB-UHFFFAOYSA-N -1 3 235.327 3.313 20 0 BGADHM O=C(CCC1CCCCC1)[N-]Oc1ccccc1 ZINC000773472649 585637746 /nfs/dbraw/zinc/63/77/46/585637746.db2.gz YYQFTSRNVQYDQY-UHFFFAOYSA-N -1 3 247.338 3.457 20 0 BGADHM CC/C(C)=C(\C)C(=O)Nc1ccc([O-])cc1F ZINC000773696883 585642574 /nfs/dbraw/zinc/64/25/74/585642574.db2.gz KPZZQMZYVXUZLB-CMDGGOBGSA-N -1 3 237.274 3.216 20 0 BGADHM CCCN(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000773970883 585647361 /nfs/dbraw/zinc/64/73/61/585647361.db2.gz CGLZVSYYLLUXLU-UHFFFAOYSA-N -1 3 249.335 3.089 20 0 BGADHM CCCc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000774131732 585651386 /nfs/dbraw/zinc/65/13/86/585651386.db2.gz RNFAYMMHRNSHSQ-BQYQJAHWSA-N -1 3 240.306 3.305 20 0 BGADHM CCCc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000774131735 585651220 /nfs/dbraw/zinc/65/12/20/585651220.db2.gz RNFAYMMHRNSHSQ-FPLPWBNLSA-N -1 3 240.306 3.305 20 0 BGADHM CC(C)(C[N-]C(=O)C(F)(F)F)C1=CCCCC1 ZINC000774538712 585660789 /nfs/dbraw/zinc/66/07/89/585660789.db2.gz DPNKJLAYTWQVRM-UHFFFAOYSA-N -1 3 249.276 3.192 20 0 BGADHM CC(C)C[C@@H](C)CC(=O)[N-]OC1CCCC1 ZINC000774864257 644698337 /nfs/dbraw/zinc/69/83/37/644698337.db2.gz ATXRPBIWGZCGLI-LLVKDONJSA-N -1 3 227.348 3.049 20 0 BGADHM CC(C)C[C@H](C)CC(=O)[N-]OC1CCCC1 ZINC000774864259 644698460 /nfs/dbraw/zinc/69/84/60/644698460.db2.gz ATXRPBIWGZCGLI-NSHDSACASA-N -1 3 227.348 3.049 20 0 BGADHM CC[C@H](CC(=O)[N-]OC1CCCC1)C(C)C ZINC000774866933 644699419 /nfs/dbraw/zinc/69/94/19/644699419.db2.gz WPGUZEJHCICJHU-LLVKDONJSA-N -1 3 227.348 3.049 20 0 BGADHM CC[C@@H](CC(=O)[N-]OC1CCCC1)C(C)C ZINC000774866936 644699122 /nfs/dbraw/zinc/69/91/22/644699122.db2.gz WPGUZEJHCICJHU-NSHDSACASA-N -1 3 227.348 3.049 20 0 BGADHM C[C@@H]1CCC[C@H](CC(=O)[N-]OC2CCCC2)C1 ZINC000774867944 644699310 /nfs/dbraw/zinc/69/93/10/644699310.db2.gz RVVQIFMWFWWQDT-NEPJUHHUSA-N -1 3 239.359 3.193 20 0 BGADHM C[C@H]1CCC[C@@H](CC(=O)[N-]OC2CCCC2)C1 ZINC000774867945 644699018 /nfs/dbraw/zinc/69/90/18/644699018.db2.gz RVVQIFMWFWWQDT-NWDGAFQWSA-N -1 3 239.359 3.193 20 0 BGADHM C[C@H]1CCC[C@H](CC(=O)[N-]OC2CCCC2)C1 ZINC000774867946 644699246 /nfs/dbraw/zinc/69/92/46/644699246.db2.gz RVVQIFMWFWWQDT-RYUDHWBXSA-N -1 3 239.359 3.193 20 0 BGADHM C[C@@H]1CCC[C@@H](CC(=O)[N-]OC2CCCC2)C1 ZINC000774867947 644699602 /nfs/dbraw/zinc/69/96/02/644699602.db2.gz RVVQIFMWFWWQDT-VXGBXAGGSA-N -1 3 239.359 3.193 20 0 BGADHM CC1(CC(=O)[N-]OC2CCCC2)CCCCC1 ZINC000774875280 585668278 /nfs/dbraw/zinc/66/82/78/585668278.db2.gz MVVHBFUFWRHMLZ-UHFFFAOYSA-N -1 3 239.359 3.337 20 0 BGADHM CC(C)(C)CCCC(=O)[N-]OC1CCCC1 ZINC000774875690 585668321 /nfs/dbraw/zinc/66/83/21/585668321.db2.gz PFBZNQBLNFATBF-UHFFFAOYSA-N -1 3 227.348 3.193 20 0 BGADHM C[C@@H]1CCCC[C@H]1CC(=O)[N-]OC1CCCC1 ZINC000774875944 585668110 /nfs/dbraw/zinc/66/81/10/585668110.db2.gz YNRJGRODZVUFHO-NEPJUHHUSA-N -1 3 239.359 3.193 20 0 BGADHM C[C@H]1CCCC[C@@H]1CC(=O)[N-]OC1CCCC1 ZINC000774875945 585668059 /nfs/dbraw/zinc/66/80/59/585668059.db2.gz YNRJGRODZVUFHO-NWDGAFQWSA-N -1 3 239.359 3.193 20 0 BGADHM C[C@H]1CCCC[C@H]1CC(=O)[N-]OC1CCCC1 ZINC000774875946 585668081 /nfs/dbraw/zinc/66/80/81/585668081.db2.gz YNRJGRODZVUFHO-RYUDHWBXSA-N -1 3 239.359 3.193 20 0 BGADHM C[C@@H]1CCCC[C@@H]1CC(=O)[N-]OC1CCCC1 ZINC000774875947 585668083 /nfs/dbraw/zinc/66/80/83/585668083.db2.gz YNRJGRODZVUFHO-VXGBXAGGSA-N -1 3 239.359 3.193 20 0 BGADHM CC(C)CC1(C(=O)[N-]OC2CCCC2)CCC1 ZINC000775269491 585674441 /nfs/dbraw/zinc/67/44/41/585674441.db2.gz GALDXECQSUXYIO-UHFFFAOYSA-N -1 3 239.359 3.193 20 0 BGADHM CCC(CC)(CC)C(=O)[N-]OC1CCCC1 ZINC000775273078 585674576 /nfs/dbraw/zinc/67/45/76/585674576.db2.gz HNOOOXCQYWVOLF-UHFFFAOYSA-N -1 3 227.348 3.193 20 0 BGADHM C[C@H](CC(=O)[N-]OC1CCCC1)CC(C)(C)C ZINC000775273915 585674504 /nfs/dbraw/zinc/67/45/04/585674504.db2.gz OUTSXDXUABJRAC-LLVKDONJSA-N -1 3 241.375 3.439 20 0 BGADHM C[C@@H](CC(=O)[N-]OC1CCCC1)CC(C)(C)C ZINC000775273916 585674555 /nfs/dbraw/zinc/67/45/55/585674555.db2.gz OUTSXDXUABJRAC-NSHDSACASA-N -1 3 241.375 3.439 20 0 BGADHM CC(C)(C(=O)[N-]OC1CCCC1)C1CCCC1 ZINC000775274709 585674661 /nfs/dbraw/zinc/67/46/61/585674661.db2.gz SEGZANDAKCPMLK-UHFFFAOYSA-N -1 3 239.359 3.193 20 0 BGADHM O=C(CCCC1CCCC1)[N-]OC1CCCC1 ZINC000775277058 585674731 /nfs/dbraw/zinc/67/47/31/585674731.db2.gz YXDSRGAGWXQZNO-UHFFFAOYSA-N -1 3 239.359 3.337 20 0 BGADHM CC(C)CC(C)(C)C(=O)[N-]OC1CCCC1 ZINC000775277159 585674835 /nfs/dbraw/zinc/67/48/35/585674835.db2.gz RMAIOPWCLUIQGN-UHFFFAOYSA-N -1 3 227.348 3.049 20 0 BGADHM O=C(OCCC1CC1)c1cccc(Cl)c1[O-] ZINC000775928503 585687873 /nfs/dbraw/zinc/68/78/73/585687873.db2.gz CSSUNMYMLFSDCE-UHFFFAOYSA-N -1 3 240.686 3.003 20 0 BGADHM O=C(OCC1CCC1)c1cccc(Cl)c1[O-] ZINC000775932549 585687897 /nfs/dbraw/zinc/68/78/97/585687897.db2.gz AETVFNRWIWIRNR-UHFFFAOYSA-N -1 3 240.686 3.003 20 0 BGADHM CCCCOC(=O)c1cccc(Cl)c1[O-] ZINC000775932855 585687876 /nfs/dbraw/zinc/68/78/76/585687876.db2.gz LABGJXKZSYDAOR-UHFFFAOYSA-N -1 3 228.675 3.003 20 0 BGADHM O=C(OC1CCCC1)c1cccc(Cl)c1[O-] ZINC000775933528 585687848 /nfs/dbraw/zinc/68/78/48/585687848.db2.gz PDNRVFIIAAHXCA-UHFFFAOYSA-N -1 3 240.686 3.145 20 0 BGADHM CC[C@@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC000775935157 585688084 /nfs/dbraw/zinc/68/80/84/585688084.db2.gz INFNFVUXXGYAMF-SSDOTTSWSA-N -1 3 228.675 3.001 20 0 BGADHM CC[C@H](C)OC(=O)c1cccc(Cl)c1[O-] ZINC000775935158 585688059 /nfs/dbraw/zinc/68/80/59/585688059.db2.gz INFNFVUXXGYAMF-ZETCQYMHSA-N -1 3 228.675 3.001 20 0 BGADHM CC1(C[N-]C(=O)C(F)(F)F)CCCCCC1 ZINC000776494369 585698914 /nfs/dbraw/zinc/69/89/14/585698914.db2.gz MESQZXPOPIAJBW-UHFFFAOYSA-N -1 3 237.265 3.025 20 0 BGADHM Cc1cc(=O)[n-]c(CSCCCC(C)C)n1 ZINC000776872653 585706519 /nfs/dbraw/zinc/70/65/19/585706519.db2.gz CCRRUNPYOOUNTN-UHFFFAOYSA-N -1 3 240.372 3.160 20 0 BGADHM O=C([N-]OC1CCCCC1)Nc1ccccc1 ZINC000777912438 585723833 /nfs/dbraw/zinc/72/38/33/585723833.db2.gz WCCYVAWRHVKODI-UHFFFAOYSA-N -1 3 234.299 3.072 20 0 BGADHM [O-]C(=NOC1CCCCC1)Nc1ccccc1 ZINC000777912438 585723832 /nfs/dbraw/zinc/72/38/32/585723832.db2.gz WCCYVAWRHVKODI-UHFFFAOYSA-N -1 3 234.299 3.072 20 0 BGADHM O=C(CCC1CCCC1)[N-]OC1CCCCC1 ZINC000777949135 585724097 /nfs/dbraw/zinc/72/40/97/585724097.db2.gz JHZKJZFDTIOIIG-UHFFFAOYSA-N -1 3 239.359 3.337 20 0 BGADHM O=C(CC1=CCCCC1)[N-]OC1CCCCC1 ZINC000777949453 585724202 /nfs/dbraw/zinc/72/42/02/585724202.db2.gz MJARPKSZRYZYSL-UHFFFAOYSA-N -1 3 237.343 3.257 20 0 BGADHM O=C(/C=C\c1ccccc1)[N-]OC1CCCCC1 ZINC000777950588 585724125 /nfs/dbraw/zinc/72/41/25/585724125.db2.gz UIVRAOWZVLKUOK-QXMHVHEDSA-N -1 3 245.322 3.080 20 0 BGADHM O=C(/C=C/c1ccccc1)[N-]OC1CCCCC1 ZINC000777950589 585724088 /nfs/dbraw/zinc/72/40/88/585724088.db2.gz UIVRAOWZVLKUOK-VAWYXSNFSA-N -1 3 245.322 3.080 20 0 BGADHM O=C(C[C@@H]1C=CCCC1)[N-]OC1CCCCC1 ZINC000777959087 585724176 /nfs/dbraw/zinc/72/41/76/585724176.db2.gz UBRKZJNRUGCRJE-GFCCVEGCSA-N -1 3 237.343 3.113 20 0 BGADHM O=C(C[C@H]1C=CCCC1)[N-]OC1CCCCC1 ZINC000777959088 585724303 /nfs/dbraw/zinc/72/43/03/585724303.db2.gz UBRKZJNRUGCRJE-LBPRGKRZSA-N -1 3 237.343 3.113 20 0 BGADHM CC(C)[C@@]1(C)C[C@H]1C(=O)[N-]OC1CCCCC1 ZINC000777961239 585724497 /nfs/dbraw/zinc/72/44/97/585724497.db2.gz MEBVVBMQMSELPO-GXTWGEPZSA-N -1 3 239.359 3.049 20 0 BGADHM CC(C)[C@]1(C)C[C@H]1C(=O)[N-]OC1CCCCC1 ZINC000777961240 585724425 /nfs/dbraw/zinc/72/44/25/585724425.db2.gz MEBVVBMQMSELPO-JSGCOSHPSA-N -1 3 239.359 3.049 20 0 BGADHM CC(C)[C@]1(C)C[C@@H]1C(=O)[N-]OC1CCCCC1 ZINC000777961242 585724442 /nfs/dbraw/zinc/72/44/42/585724442.db2.gz MEBVVBMQMSELPO-OCCSQVGLSA-N -1 3 239.359 3.049 20 0 BGADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)[N-]OC1CCCCC1 ZINC000777961244 585724440 /nfs/dbraw/zinc/72/44/40/585724440.db2.gz MEBVVBMQMSELPO-TZMCWYRMSA-N -1 3 239.359 3.049 20 0 BGADHM CCC(C)(C)CC(=O)[N-]OC1CCCCC1 ZINC000777961472 585724471 /nfs/dbraw/zinc/72/44/71/585724471.db2.gz OITJOIYABRPEHO-UHFFFAOYSA-N -1 3 227.348 3.193 20 0 BGADHM C[C@@H]1CCC[C@H]1CC(=O)[N-]OC1CCCCC1 ZINC000777961633 585724510 /nfs/dbraw/zinc/72/45/10/585724510.db2.gz LUKXGYVPCMYSGT-NEPJUHHUSA-N -1 3 239.359 3.193 20 0 BGADHM C[C@H]1CCC[C@@H]1CC(=O)[N-]OC1CCCCC1 ZINC000777961634 585724373 /nfs/dbraw/zinc/72/43/73/585724373.db2.gz LUKXGYVPCMYSGT-NWDGAFQWSA-N -1 3 239.359 3.193 20 0 BGADHM C[C@H]1CCC[C@H]1CC(=O)[N-]OC1CCCCC1 ZINC000777961635 585724540 /nfs/dbraw/zinc/72/45/40/585724540.db2.gz LUKXGYVPCMYSGT-RYUDHWBXSA-N -1 3 239.359 3.193 20 0 BGADHM C[C@@H]1CCC[C@@H]1CC(=O)[N-]OC1CCCCC1 ZINC000777961636 585724528 /nfs/dbraw/zinc/72/45/28/585724528.db2.gz LUKXGYVPCMYSGT-VXGBXAGGSA-N -1 3 239.359 3.193 20 0 BGADHM CC(C)C[C@@H](C)CC(=O)[N-]OC1CCCCC1 ZINC000777962043 585724410 /nfs/dbraw/zinc/72/44/10/585724410.db2.gz ONIICDLQOJWOIP-GFCCVEGCSA-N -1 3 241.375 3.439 20 0 BGADHM CC(C)C[C@H](C)CC(=O)[N-]OC1CCCCC1 ZINC000777962044 585724488 /nfs/dbraw/zinc/72/44/88/585724488.db2.gz ONIICDLQOJWOIP-LBPRGKRZSA-N -1 3 241.375 3.439 20 0 BGADHM O=C(CC1CCCCC1)[N-]OC1CCCCC1 ZINC000777962154 585724395 /nfs/dbraw/zinc/72/43/95/585724395.db2.gz QJSPSCWLJQIWGQ-UHFFFAOYSA-N -1 3 239.359 3.337 20 0 BGADHM CC1(C)C(C(=O)[N-]OC2CCCCC2)C1(C)C ZINC000777962162 585724545 /nfs/dbraw/zinc/72/45/45/585724545.db2.gz QTRSXBWMOSYKKH-UHFFFAOYSA-N -1 3 239.359 3.049 20 0 BGADHM C[C@@H]1CC[C@H](CC(=O)[N-]OC2CCCCC2)C1 ZINC000777962984 585724451 /nfs/dbraw/zinc/72/44/51/585724451.db2.gz RTWCFBSJFPNQPD-NEPJUHHUSA-N -1 3 239.359 3.193 20 0 BGADHM C[C@H]1CC[C@@H](CC(=O)[N-]OC2CCCCC2)C1 ZINC000777962991 585724591 /nfs/dbraw/zinc/72/45/91/585724591.db2.gz RTWCFBSJFPNQPD-NWDGAFQWSA-N -1 3 239.359 3.193 20 0 BGADHM C[C@H]1CC[C@H](CC(=O)[N-]OC2CCCCC2)C1 ZINC000777962994 585724615 /nfs/dbraw/zinc/72/46/15/585724615.db2.gz RTWCFBSJFPNQPD-RYUDHWBXSA-N -1 3 239.359 3.193 20 0 BGADHM C[C@@H]1CC[C@@H](CC(=O)[N-]OC2CCCCC2)C1 ZINC000777962998 585724554 /nfs/dbraw/zinc/72/45/54/585724554.db2.gz RTWCFBSJFPNQPD-VXGBXAGGSA-N -1 3 239.359 3.193 20 0 BGADHM CCC[C@@H](C)CC(=O)[N-]OC1CCCCC1 ZINC000777963759 585724475 /nfs/dbraw/zinc/72/44/75/585724475.db2.gz ZFYHYNNCWFTUFO-LLVKDONJSA-N -1 3 227.348 3.193 20 0 BGADHM CCC[C@H](C)CC(=O)[N-]OC1CCCCC1 ZINC000777963760 585724418 /nfs/dbraw/zinc/72/44/18/585724418.db2.gz ZFYHYNNCWFTUFO-NSHDSACASA-N -1 3 227.348 3.193 20 0 BGADHM CCC(CC)CC(=O)[N-]OC1CCCCC1 ZINC000777963913 585724535 /nfs/dbraw/zinc/72/45/35/585724535.db2.gz MGKSQCBWYKALHO-UHFFFAOYSA-N -1 3 227.348 3.193 20 0 BGADHM CC[C@H](CC(=O)[N-]OC1CCCCC1)C(C)C ZINC000777965806 585724726 /nfs/dbraw/zinc/72/47/26/585724726.db2.gz XBYDKOJUEUAAPF-GFCCVEGCSA-N -1 3 241.375 3.439 20 0 BGADHM CC[C@@H](CC(=O)[N-]OC1CCCCC1)C(C)C ZINC000777965808 585724874 /nfs/dbraw/zinc/72/48/74/585724874.db2.gz XBYDKOJUEUAAPF-LBPRGKRZSA-N -1 3 241.375 3.439 20 0 BGADHM Cc1ccc(NC(=O)[N-]OC2CCCCC2)cc1 ZINC000778264215 585730149 /nfs/dbraw/zinc/73/01/49/585730149.db2.gz CDVICZBKYQNAQA-UHFFFAOYSA-N -1 3 248.326 3.381 20 0 BGADHM Cc1ccc(NC([O-])=NOC2CCCCC2)cc1 ZINC000778264215 585730148 /nfs/dbraw/zinc/73/01/48/585730148.db2.gz CDVICZBKYQNAQA-UHFFFAOYSA-N -1 3 248.326 3.381 20 0 BGADHM Cc1cccc(NC(=O)[N-]OC2CCCCC2)c1 ZINC000778265135 585730241 /nfs/dbraw/zinc/73/02/41/585730241.db2.gz JHSMJCNNCIMZFI-UHFFFAOYSA-N -1 3 248.326 3.381 20 0 BGADHM Cc1cccc(NC([O-])=NOC2CCCCC2)c1 ZINC000778265135 585730240 /nfs/dbraw/zinc/73/02/40/585730240.db2.gz JHSMJCNNCIMZFI-UHFFFAOYSA-N -1 3 248.326 3.381 20 0 BGADHM Cc1ccccc1NC(=O)[N-]OC1CCCCC1 ZINC000778266240 585729987 /nfs/dbraw/zinc/72/99/87/585729987.db2.gz RTUUTSUQXWJCRK-UHFFFAOYSA-N -1 3 248.326 3.381 20 0 BGADHM Cc1ccccc1NC([O-])=NOC1CCCCC1 ZINC000778266240 585729986 /nfs/dbraw/zinc/72/99/86/585729986.db2.gz RTUUTSUQXWJCRK-UHFFFAOYSA-N -1 3 248.326 3.381 20 0 BGADHM C/C(=C/c1ccc(C)cc1)C(=O)[N-]OCC(C)C ZINC000778687833 585739089 /nfs/dbraw/zinc/73/90/89/585739089.db2.gz FLMMODCNFVIDGB-LCYFTJDESA-N -1 3 247.338 3.102 20 0 BGADHM C/C(=C\c1ccc(C)cc1)C(=O)[N-]OCC(C)C ZINC000778687834 585739222 /nfs/dbraw/zinc/73/92/22/585739222.db2.gz FLMMODCNFVIDGB-UKTHLTGXSA-N -1 3 247.338 3.102 20 0 BGADHM CCC[C@H](C)OC(=O)c1ccc([O-])c(C)c1 ZINC000778853500 585741494 /nfs/dbraw/zinc/74/14/94/585741494.db2.gz MRZFFNGKNBLIPA-JTQLQIEISA-N -1 3 222.284 3.046 20 0 BGADHM CCC[C@@H](C)OC(=O)c1ccc([O-])c(C)c1 ZINC000778853501 585741773 /nfs/dbraw/zinc/74/17/73/585741773.db2.gz MRZFFNGKNBLIPA-SNVBAGLBSA-N -1 3 222.284 3.046 20 0 BGADHM CC(C)=C(C)C(=O)N1CCCc2cccc([O-])c21 ZINC000778949827 585742620 /nfs/dbraw/zinc/74/26/20/585742620.db2.gz BRSAOMBGERLVCM-UHFFFAOYSA-N -1 3 245.322 3.028 20 0 BGADHM CCC/C=C/C(=O)N1CCCc2cccc([O-])c21 ZINC000778951784 585742842 /nfs/dbraw/zinc/74/28/42/585742842.db2.gz WTRWISWGCNKHKT-ONNFQVAWSA-N -1 3 245.322 3.028 20 0 BGADHM CCC/C=C\C(=O)N1CCCc2cccc([O-])c21 ZINC000778951786 585742703 /nfs/dbraw/zinc/74/27/03/585742703.db2.gz WTRWISWGCNKHKT-WMZJFQQLSA-N -1 3 245.322 3.028 20 0 BGADHM CCC/C(C)=C\C(=O)Nc1c(C)cccc1[O-] ZINC000778957367 585742645 /nfs/dbraw/zinc/74/26/45/585742645.db2.gz BPHFASGVDYCPFI-KTKRTIGZSA-N -1 3 233.311 3.386 20 0 BGADHM CCC/C(C)=C/C(=O)Nc1c(C)cccc1[O-] ZINC000778957368 585742551 /nfs/dbraw/zinc/74/25/51/585742551.db2.gz BPHFASGVDYCPFI-MDZDMXLPSA-N -1 3 233.311 3.386 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C(F)=C1CCCC1 ZINC000778959222 585743145 /nfs/dbraw/zinc/74/31/45/585743145.db2.gz XDVZQSACAJLRED-UHFFFAOYSA-N -1 3 249.285 3.437 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C[C@H](C)C1CC1 ZINC000778961141 585743252 /nfs/dbraw/zinc/74/32/52/585743252.db2.gz QLVHXVGNPGGYOC-JTQLQIEISA-N -1 3 233.311 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C[C@@H](C)C1CC1 ZINC000778961142 585743261 /nfs/dbraw/zinc/74/32/61/585743261.db2.gz QLVHXVGNPGGYOC-SNVBAGLBSA-N -1 3 233.311 3.075 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C=C1CCCC1 ZINC000778961488 585743115 /nfs/dbraw/zinc/74/31/15/585743115.db2.gz UBLPVPSEGSNQMH-UHFFFAOYSA-N -1 3 231.295 3.140 20 0 BGADHM CC(C)(C)CCC(=O)[N-]OC1CCCCC1 ZINC000779316477 585750795 /nfs/dbraw/zinc/75/07/95/585750795.db2.gz DWNYUZUMGTYQKG-UHFFFAOYSA-N -1 3 227.348 3.193 20 0 BGADHM CCC(C)(CC)C(=O)[N-]OC1CCCCC1 ZINC000779320958 585751077 /nfs/dbraw/zinc/75/10/77/585751077.db2.gz RLXQQCKQLMKALL-UHFFFAOYSA-N -1 3 227.348 3.193 20 0 BGADHM CC(C)CC(C)(C)C(=O)[N-]OC1CCCCC1 ZINC000779320995 585751147 /nfs/dbraw/zinc/75/11/47/585751147.db2.gz SPJRBLITWBVXJO-UHFFFAOYSA-N -1 3 241.375 3.439 20 0 BGADHM CCC1(C(=O)[N-]OC2CCCCC2)CCCC1 ZINC000779321289 585750877 /nfs/dbraw/zinc/75/08/77/585750877.db2.gz XGCUMSXDTJKURH-UHFFFAOYSA-N -1 3 239.359 3.337 20 0 BGADHM CCCC1(C(=O)[N-]OC2CCCCC2)CCC1 ZINC000779322021 585750986 /nfs/dbraw/zinc/75/09/86/585750986.db2.gz NUWLKHRWLAWYHB-UHFFFAOYSA-N -1 3 239.359 3.337 20 0 BGADHM CCCCCCC(=O)[N-]OC1CCCCC1 ZINC000779323015 585751241 /nfs/dbraw/zinc/75/12/41/585751241.db2.gz HDIQELHRBAJSAA-UHFFFAOYSA-N -1 3 227.348 3.337 20 0 BGADHM CC/C(C)=C(/C)C(=O)[N-]OC1CCCCC1 ZINC000779323284 585751281 /nfs/dbraw/zinc/75/12/81/585751281.db2.gz LXBXCYYYHVFJHO-KHPPLWFESA-N -1 3 225.332 3.113 20 0 BGADHM CC/C(C)=C(\C)C(=O)[N-]OC1CCCCC1 ZINC000779323285 585751420 /nfs/dbraw/zinc/75/14/20/585751420.db2.gz LXBXCYYYHVFJHO-ZHACJKMWSA-N -1 3 225.332 3.113 20 0 BGADHM CC(C(=O)[N-]OC1CCCCC1)=C1CCCC1 ZINC000779324016 585751307 /nfs/dbraw/zinc/75/13/07/585751307.db2.gz XHBLQTCHOPQHDZ-UHFFFAOYSA-N -1 3 237.343 3.257 20 0 BGADHM O=C([N-]OC1CCCCC1)Nc1ccsc1 ZINC000779438226 585754804 /nfs/dbraw/zinc/75/48/04/585754804.db2.gz HWRUPGMLMXZAMZ-UHFFFAOYSA-N -1 3 240.328 3.134 20 0 BGADHM [O-]C(=NOC1CCCCC1)Nc1ccsc1 ZINC000779438226 585754803 /nfs/dbraw/zinc/75/48/03/585754803.db2.gz HWRUPGMLMXZAMZ-UHFFFAOYSA-N -1 3 240.328 3.134 20 0 BGADHM Cc1cc(C=Cc2nccc(=O)[n-]2)ccc1Cl ZINC000779713862 585759051 /nfs/dbraw/zinc/75/90/51/585759051.db2.gz UATHZXPFDBAVPV-HWKANZROSA-N -1 3 246.697 3.314 20 0 BGADHM Cc1cc(C=Cc2nccc(=O)[n-]2)ccc1Cl ZINC000779713863 585759147 /nfs/dbraw/zinc/75/91/47/585759147.db2.gz UATHZXPFDBAVPV-HYXAFXHYSA-N -1 3 246.697 3.314 20 0 BGADHM CCCCC[C@@](C)(CC)C(=O)[N-]OCC ZINC000780298315 585777247 /nfs/dbraw/zinc/77/72/47/585777247.db2.gz HRYYFKNMXUIJLN-GFCCVEGCSA-N -1 3 215.337 3.051 20 0 BGADHM CCCCC[C@](C)(CC)C(=O)[N-]OCC ZINC000780298317 585777397 /nfs/dbraw/zinc/77/73/97/585777397.db2.gz HRYYFKNMXUIJLN-LBPRGKRZSA-N -1 3 215.337 3.051 20 0 BGADHM CC/C(C)=C(/C)C(=O)Nc1ccc(C)cc1[O-] ZINC000780849580 585785290 /nfs/dbraw/zinc/78/52/90/585785290.db2.gz ZXSSHLJKVGWOQE-KHPPLWFESA-N -1 3 233.311 3.386 20 0 BGADHM CC/C(C)=C(\C)C(=O)Nc1ccc(C)cc1[O-] ZINC000780849581 585785266 /nfs/dbraw/zinc/78/52/66/585785266.db2.gz ZXSSHLJKVGWOQE-ZHACJKMWSA-N -1 3 233.311 3.386 20 0 BGADHM CC/C(C)=C(/C)C(=O)Nc1ccccc1[O-] ZINC000780902608 585786096 /nfs/dbraw/zinc/78/60/96/585786096.db2.gz DYURGVZCFHFDNI-KTKRTIGZSA-N -1 3 219.284 3.077 20 0 BGADHM CC/C(C)=C(\C)C(=O)Nc1ccccc1[O-] ZINC000780902613 585786045 /nfs/dbraw/zinc/78/60/45/585786045.db2.gz DYURGVZCFHFDNI-MDZDMXLPSA-N -1 3 219.284 3.077 20 0 BGADHM CC/C(C)=C(\C)C(=O)Nc1cc(F)ccc1[O-] ZINC000780994256 585788210 /nfs/dbraw/zinc/78/82/10/585788210.db2.gz RQBDWSZWJISCLU-CMDGGOBGSA-N -1 3 237.274 3.216 20 0 BGADHM CC/C(C)=C(/C)C(=O)Nc1cc(F)ccc1[O-] ZINC000780994260 585788169 /nfs/dbraw/zinc/78/81/69/585788169.db2.gz RQBDWSZWJISCLU-HJWRWDBZSA-N -1 3 237.274 3.216 20 0 BGADHM CC/C(C)=C(\C)C(=O)Nc1cccc([O-])c1F ZINC000780998147 585788482 /nfs/dbraw/zinc/78/84/82/585788482.db2.gz YLPSFANQNCHYDO-CMDGGOBGSA-N -1 3 237.274 3.216 20 0 BGADHM CC/C(C)=C(/C)C(=O)Nc1cccc([O-])c1F ZINC000780998151 585788417 /nfs/dbraw/zinc/78/84/17/585788417.db2.gz YLPSFANQNCHYDO-HJWRWDBZSA-N -1 3 237.274 3.216 20 0 BGADHM CC/C(C)=C(/C)C(=O)Nc1c(C)cccc1[O-] ZINC000781016044 585788705 /nfs/dbraw/zinc/78/87/05/585788705.db2.gz UTAQQXIWPAQGEH-LUAWRHEFSA-N -1 3 233.311 3.386 20 0 BGADHM CC/C(C)=C(\C)C(=O)Nc1c(C)cccc1[O-] ZINC000781016047 585788713 /nfs/dbraw/zinc/78/87/13/585788713.db2.gz UTAQQXIWPAQGEH-PKNBQFBNSA-N -1 3 233.311 3.386 20 0 BGADHM CC1(C(=O)[N-]OC2CCCCC2)CCCCC1 ZINC000781041100 585789039 /nfs/dbraw/zinc/78/90/39/585789039.db2.gz NNDVYADWNOBEAQ-UHFFFAOYSA-N -1 3 239.359 3.337 20 0 BGADHM CC(C)CO[N-]C(=O)C1(C)CCCCCC1 ZINC000781162718 585791878 /nfs/dbraw/zinc/79/18/78/585791878.db2.gz ATELBIUCCOUWIM-UHFFFAOYSA-N -1 3 227.348 3.051 20 0 BGADHM CC1(C(=O)[N-]OC2CCCC2)CCCCCC1 ZINC000781165038 585792000 /nfs/dbraw/zinc/79/20/00/585792000.db2.gz DCKVPGXZDVXJKD-UHFFFAOYSA-N -1 3 239.359 3.337 20 0 BGADHM CC(C)(C)C(=O)[N-]O[C@@H]1CCCc2ccccc21 ZINC000781617332 585800864 /nfs/dbraw/zinc/80/08/64/585800864.db2.gz QYLBPNCBFBGAPO-CYBMUJFWSA-N -1 3 247.338 3.158 20 0 BGADHM CC(C)(C)C(=O)[N-]O[C@H]1CCCc2ccccc21 ZINC000781617334 585800950 /nfs/dbraw/zinc/80/09/50/585800950.db2.gz QYLBPNCBFBGAPO-ZDUSSCGKSA-N -1 3 247.338 3.158 20 0 BGADHM O=c1ccnc(C=Cc2cc(Cl)cs2)[n-]1 ZINC000782344024 585815770 /nfs/dbraw/zinc/81/57/70/585815770.db2.gz ZZZZUBFHPJHWHZ-OWOJBTEDSA-N -1 3 238.699 3.068 20 0 BGADHM O=c1ccnc(C=Cc2cc(Cl)cs2)[n-]1 ZINC000782344025 585815825 /nfs/dbraw/zinc/81/58/25/585815825.db2.gz ZZZZUBFHPJHWHZ-UPHRSURJSA-N -1 3 238.699 3.068 20 0 BGADHM O=C(C=C1CCCCC1)Nc1ccc([O-])cc1F ZINC000782852454 585824841 /nfs/dbraw/zinc/82/48/41/585824841.db2.gz BRGHZWQKECPRBB-UHFFFAOYSA-N -1 3 249.285 3.360 20 0 BGADHM C[C@H]1CC/C(=C/C(=O)Nc2ccc([O-])cc2F)C1 ZINC000782853146 585824952 /nfs/dbraw/zinc/82/49/52/585824952.db2.gz SHHGZIDTBRDVLY-CBFJXKFUSA-N -1 3 249.285 3.216 20 0 BGADHM C[C@H]1CC/C(=C\C(=O)Nc2ccc([O-])cc2F)C1 ZINC000782853149 585824816 /nfs/dbraw/zinc/82/48/16/585824816.db2.gz SHHGZIDTBRDVLY-HZAKCSEPSA-N -1 3 249.285 3.216 20 0 BGADHM C[C@@H]1CC/C(=C/C(=O)Nc2ccc([O-])cc2F)C1 ZINC000782853165 585824982 /nfs/dbraw/zinc/82/49/82/585824982.db2.gz SHHGZIDTBRDVLY-SBMLRHLQSA-N -1 3 249.285 3.216 20 0 BGADHM C[C@@H]1CC/C(=C\C(=O)Nc2ccc([O-])cc2F)C1 ZINC000782853166 585824893 /nfs/dbraw/zinc/82/48/93/585824893.db2.gz SHHGZIDTBRDVLY-YIXGCBLDSA-N -1 3 249.285 3.216 20 0 BGADHM CCC/C(C)=C\C(=O)Nc1ccc([O-])cc1F ZINC000782854089 585824931 /nfs/dbraw/zinc/82/49/31/585824931.db2.gz DZAHLHYBRVYFBA-CLFYSBASSA-N -1 3 237.274 3.216 20 0 BGADHM CCC/C(C)=C/C(=O)Nc1ccc([O-])cc1F ZINC000782854090 585824830 /nfs/dbraw/zinc/82/48/30/585824830.db2.gz DZAHLHYBRVYFBA-VQHVLOKHSA-N -1 3 237.274 3.216 20 0 BGADHM CCCCCCO[N-]C(=O)Cc1ccc(C)cc1 ZINC000783555241 582959398 /nfs/dbraw/zinc/95/93/98/582959398.db2.gz UJDANZLHXYYMBH-UHFFFAOYSA-N -1 3 249.354 3.166 20 0 BGADHM O=C(CCC1CCCCC1)[N-]OCCC1CC1 ZINC000783558049 585836810 /nfs/dbraw/zinc/83/68/10/585836810.db2.gz GHYHCNAOKNSRFH-UHFFFAOYSA-N -1 3 239.359 3.195 20 0 BGADHM Cc1cc(=O)[n-]c(CSCCC(C)(C)C)n1 ZINC000783581284 585837430 /nfs/dbraw/zinc/83/74/30/585837430.db2.gz RKZCVWDCQDPRQJ-UHFFFAOYSA-N -1 3 240.372 3.160 20 0 BGADHM CCCC(=CC(=O)Nc1ncccc1[O-])CCC ZINC000783646459 585839425 /nfs/dbraw/zinc/83/94/25/585839425.db2.gz TWJDGXNGANDVBM-UHFFFAOYSA-N -1 3 248.326 3.252 20 0 BGADHM CC(C)[C@H](F)c1nc(-c2ccc([O-])cc2)no1 ZINC000783945011 585846134 /nfs/dbraw/zinc/84/61/34/585846134.db2.gz RYBFLAKUWCHZLE-JTQLQIEISA-N -1 3 236.246 3.109 20 0 BGADHM CC(C)[C@@H](F)c1nc(-c2ccc([O-])cc2)no1 ZINC000783945012 585845987 /nfs/dbraw/zinc/84/59/87/585845987.db2.gz RYBFLAKUWCHZLE-SNVBAGLBSA-N -1 3 236.246 3.109 20 0 BGADHM CC(C)C(C)(C)C(=O)[N-]OC1CCCCC1 ZINC000784532735 585862635 /nfs/dbraw/zinc/86/26/35/585862635.db2.gz AFDUIBZMMAUQNO-UHFFFAOYSA-N -1 3 227.348 3.049 20 0 BGADHM CC[C@@H](C)CCCCC(=O)[N-]OCC(C)C ZINC000784689683 585865610 /nfs/dbraw/zinc/86/56/10/585865610.db2.gz LFYZSCAHCQZBHP-GFCCVEGCSA-N -1 3 229.364 3.297 20 0 BGADHM CC[C@H](C)CCCCC(=O)[N-]OCC(C)C ZINC000784689684 585865521 /nfs/dbraw/zinc/86/55/21/585865521.db2.gz LFYZSCAHCQZBHP-LBPRGKRZSA-N -1 3 229.364 3.297 20 0 BGADHM CCCC(C)(C)CC(=O)[N-]OCc1ccccc1 ZINC000784762169 585865937 /nfs/dbraw/zinc/86/59/37/585865937.db2.gz IXLYHDSIJYYSJH-UHFFFAOYSA-N -1 3 249.354 3.451 20 0 BGADHM CCCC(C)(C)CC(=O)[N-]OC1CCCC1 ZINC000785242804 585872026 /nfs/dbraw/zinc/87/20/26/585872026.db2.gz JLYMPBMWUBOWAF-UHFFFAOYSA-N -1 3 227.348 3.193 20 0 BGADHM CC/C(C)=C(\C)C(=O)Nc1ccc(OC)cc1[O-] ZINC000785427382 584007707 /nfs/dbraw/zinc/00/77/07/584007707.db2.gz MZAZAYVFYBGHSN-MDZDMXLPSA-N -1 3 249.310 3.086 20 0 BGADHM CCC(=CC(=O)Nc1ccc(OC)cc1[O-])CC ZINC000785688220 585878349 /nfs/dbraw/zinc/87/83/49/585878349.db2.gz FKUSKCMRYBNOSZ-UHFFFAOYSA-N -1 3 249.310 3.086 20 0 BGADHM CCC/C(C)=C/C(=O)Nc1ccc(OC)cc1[O-] ZINC000785701795 585878779 /nfs/dbraw/zinc/87/87/79/585878779.db2.gz INIOKEVEIRNTPS-CSKARUKUSA-N -1 3 249.310 3.086 20 0 BGADHM CCC/C(C)=C\C(=O)Nc1ccc(OC)cc1[O-] ZINC000785701796 585878792 /nfs/dbraw/zinc/87/87/92/585878792.db2.gz INIOKEVEIRNTPS-NTMALXAHSA-N -1 3 249.310 3.086 20 0 BGADHM C[C@H](CC[N-]C(=O)C(F)(F)F)CC(C)(C)C ZINC000785769589 585880304 /nfs/dbraw/zinc/88/03/04/585880304.db2.gz RRGLPJLHZXSFLW-MRVPVSSYSA-N -1 3 239.281 3.127 20 0 BGADHM C[C@@H](CC[N-]C(=O)C(F)(F)F)CC(C)(C)C ZINC000785769612 585880336 /nfs/dbraw/zinc/88/03/36/585880336.db2.gz RRGLPJLHZXSFLW-QMMMGPOBSA-N -1 3 239.281 3.127 20 0 BGADHM CCCCCOC(=O)c1cc([O-])ccc1Cl ZINC000785866584 585882143 /nfs/dbraw/zinc/88/21/43/585882143.db2.gz IIFARBGRZQYHEI-UHFFFAOYSA-N -1 3 242.702 3.393 20 0 BGADHM CC[C@@H](C)COC(=O)c1cc([O-])ccc1Cl ZINC000785868898 585882281 /nfs/dbraw/zinc/88/22/81/585882281.db2.gz GDJZNQZHDABJEC-MRVPVSSYSA-N -1 3 242.702 3.249 20 0 BGADHM CC[C@H](C)COC(=O)c1cc([O-])ccc1Cl ZINC000785868901 585882120 /nfs/dbraw/zinc/88/21/20/585882120.db2.gz GDJZNQZHDABJEC-QMMMGPOBSA-N -1 3 242.702 3.249 20 0 BGADHM CC(C)CCOC(=O)c1cc([O-])ccc1Cl ZINC000785868928 585882161 /nfs/dbraw/zinc/88/21/61/585882161.db2.gz GIYVRZFXPGHOCX-UHFFFAOYSA-N -1 3 242.702 3.249 20 0 BGADHM O=C(OCCC1CC1)c1cc([O-])ccc1Cl ZINC000785870835 585882231 /nfs/dbraw/zinc/88/22/31/585882231.db2.gz QJMAOPFZWXQXNR-UHFFFAOYSA-N -1 3 240.686 3.003 20 0 BGADHM O=C(OC1CCCC1)c1cc([O-])ccc1Cl ZINC000785872290 585882146 /nfs/dbraw/zinc/88/21/46/585882146.db2.gz XPVQELWTRGVCHH-UHFFFAOYSA-N -1 3 240.686 3.145 20 0 BGADHM CCC[C@@H](C)OC(=O)c1cc([O-])ccc1Cl ZINC000785872799 585882201 /nfs/dbraw/zinc/88/22/01/585882201.db2.gz KQTDEEYGIACWBV-MRVPVSSYSA-N -1 3 242.702 3.391 20 0 BGADHM CCC[C@H](C)OC(=O)c1cc([O-])ccc1Cl ZINC000785872801 585882187 /nfs/dbraw/zinc/88/21/87/585882187.db2.gz KQTDEEYGIACWBV-QMMMGPOBSA-N -1 3 242.702 3.391 20 0 BGADHM CCC(CC)OC(=O)c1cc([O-])ccc1Cl ZINC000785873769 585882342 /nfs/dbraw/zinc/88/23/42/585882342.db2.gz RYCLDBUEIRVECE-UHFFFAOYSA-N -1 3 242.702 3.391 20 0 BGADHM O=C(OCC1CCC1)c1cc([O-])ccc1Cl ZINC000785877662 585882309 /nfs/dbraw/zinc/88/23/09/585882309.db2.gz MHOJRFGIQSDFFZ-UHFFFAOYSA-N -1 3 240.686 3.003 20 0 BGADHM CC[C@@H](C)OC(=O)c1cc([O-])ccc1Cl ZINC000785877890 585882248 /nfs/dbraw/zinc/88/22/48/585882248.db2.gz NDOQGUVTAYWCHH-SSDOTTSWSA-N -1 3 228.675 3.001 20 0 BGADHM CC[C@H](C)OC(=O)c1cc([O-])ccc1Cl ZINC000785877892 585882244 /nfs/dbraw/zinc/88/22/44/585882244.db2.gz NDOQGUVTAYWCHH-ZETCQYMHSA-N -1 3 228.675 3.001 20 0 BGADHM CC(C)(F)COC(=O)c1cc2ccsc2[n-]1 ZINC000785933177 585883951 /nfs/dbraw/zinc/88/39/51/585883951.db2.gz ALKJYRXESFJDST-UHFFFAOYSA-N -1 3 241.287 3.134 20 0 BGADHM CC(C)(C)CCOC(=O)c1cc2occc2[n-]1 ZINC000786027960 585885613 /nfs/dbraw/zinc/88/56/13/585885613.db2.gz HGDDFVKNQCXMQZ-UHFFFAOYSA-N -1 3 235.283 3.354 20 0 BGADHM CCC(CC)OC(=O)c1cc2occc2[n-]1 ZINC000786030462 585885676 /nfs/dbraw/zinc/88/56/76/585885676.db2.gz QXEJMFUQIRZWIJ-UHFFFAOYSA-N -1 3 221.256 3.106 20 0 BGADHM CCC[C@@H](C)OC(=O)c1cc2occc2[n-]1 ZINC000786030730 585885515 /nfs/dbraw/zinc/88/55/15/585885515.db2.gz AFCSFQNRDFYFRO-MRVPVSSYSA-N -1 3 221.256 3.106 20 0 BGADHM CCC[C@H](C)OC(=O)c1cc2occc2[n-]1 ZINC000786030731 585885484 /nfs/dbraw/zinc/88/54/84/585885484.db2.gz AFCSFQNRDFYFRO-QMMMGPOBSA-N -1 3 221.256 3.106 20 0 BGADHM CC/C=C\CCOC(=O)c1cc2occc2[n-]1 ZINC000786031522 585885701 /nfs/dbraw/zinc/88/57/01/585885701.db2.gz RQOINRSHMMBXJC-ARJAWSKDSA-N -1 3 233.267 3.274 20 0 BGADHM CC/C=C/CCOC(=O)c1cc2occc2[n-]1 ZINC000786031524 585885792 /nfs/dbraw/zinc/88/57/92/585885792.db2.gz RQOINRSHMMBXJC-ONEGZZNKSA-N -1 3 233.267 3.274 20 0 BGADHM O=C(O[C@@H]1C=CCCC1)c1cc2occc2[n-]1 ZINC000786034472 585885732 /nfs/dbraw/zinc/88/57/32/585885732.db2.gz TWTUWNXDAOQTNL-SECBINFHSA-N -1 3 231.251 3.026 20 0 BGADHM O=C(O[C@H]1C=CCCC1)c1cc2occc2[n-]1 ZINC000786034473 585885657 /nfs/dbraw/zinc/88/56/57/585885657.db2.gz TWTUWNXDAOQTNL-VIFPVBQESA-N -1 3 231.251 3.026 20 0 BGADHM C/C=C\COC(=O)c1cc2sccc2c([O-])c1 ZINC000786134902 712419678 /nfs/dbraw/zinc/41/96/78/712419678.db2.gz SYHHRUAYXMXREM-IHWYPQMZSA-N -1 3 248.303 3.340 20 0 BGADHM C/C=C/COC(=O)c1cc2sccc2c([O-])c1 ZINC000786134906 712419836 /nfs/dbraw/zinc/41/98/36/712419836.db2.gz SYHHRUAYXMXREM-NSCUHMNNSA-N -1 3 248.303 3.340 20 0 BGADHM CCCOC(=O)c1cc2sccc2c([O-])c1 ZINC000786139787 712419638 /nfs/dbraw/zinc/41/96/38/712419638.db2.gz JHYDDRRTHSMJCF-UHFFFAOYSA-N -1 3 236.292 3.174 20 0 BGADHM CC(C)OC(=O)c1cc2sccc2c([O-])c1 ZINC000786140941 644773782 /nfs/dbraw/zinc/77/37/82/644773782.db2.gz FZNIXTFVROHVSV-UHFFFAOYSA-N -1 3 236.292 3.172 20 0 BGADHM CCC(CC)OC(=O)c1c(C)n[n-]c1C(C)C ZINC000786338668 585889787 /nfs/dbraw/zinc/88/97/87/585889787.db2.gz CLXWUHQFRAWDGJ-UHFFFAOYSA-N -1 3 238.331 3.187 20 0 BGADHM CCC(CC)OC(=O)c1c(C)[n-]nc1C(C)C ZINC000786338668 585889786 /nfs/dbraw/zinc/88/97/86/585889786.db2.gz CLXWUHQFRAWDGJ-UHFFFAOYSA-N -1 3 238.331 3.187 20 0 BGADHM CCCCCOC(=O)c1c(C)n[n-]c1C(C)C ZINC000786340042 585889759 /nfs/dbraw/zinc/88/97/59/585889759.db2.gz MOUIXTXXUOGEIA-UHFFFAOYSA-N -1 3 238.331 3.189 20 0 BGADHM CCCCCOC(=O)c1c(C)[n-]nc1C(C)C ZINC000786340042 585889758 /nfs/dbraw/zinc/88/97/58/585889758.db2.gz MOUIXTXXUOGEIA-UHFFFAOYSA-N -1 3 238.331 3.189 20 0 BGADHM CC[C@@H](C)COC(=O)c1c(C)n[n-]c1C(C)C ZINC000786341490 585889867 /nfs/dbraw/zinc/88/98/67/585889867.db2.gz FIHHVEGOAWAYFJ-SECBINFHSA-N -1 3 238.331 3.044 20 0 BGADHM CC[C@@H](C)COC(=O)c1c(C)[n-]nc1C(C)C ZINC000786341490 585889866 /nfs/dbraw/zinc/88/98/66/585889866.db2.gz FIHHVEGOAWAYFJ-SECBINFHSA-N -1 3 238.331 3.044 20 0 BGADHM CC[C@H](C)COC(=O)c1c(C)n[n-]c1C(C)C ZINC000786341495 585889971 /nfs/dbraw/zinc/88/99/71/585889971.db2.gz FIHHVEGOAWAYFJ-VIFPVBQESA-N -1 3 238.331 3.044 20 0 BGADHM CC[C@H](C)COC(=O)c1c(C)[n-]nc1C(C)C ZINC000786341495 585889970 /nfs/dbraw/zinc/88/99/70/585889970.db2.gz FIHHVEGOAWAYFJ-VIFPVBQESA-N -1 3 238.331 3.044 20 0 BGADHM Cc1n[n-]c(C(C)C)c1C(=O)O[C@@H]1C=CCCC1 ZINC000786342527 585890040 /nfs/dbraw/zinc/89/00/40/585890040.db2.gz QDKVDPQTJKPFNP-LLVKDONJSA-N -1 3 248.326 3.107 20 0 BGADHM Cc1[n-]nc(C(C)C)c1C(=O)O[C@@H]1C=CCCC1 ZINC000786342527 585890039 /nfs/dbraw/zinc/89/00/39/585890039.db2.gz QDKVDPQTJKPFNP-LLVKDONJSA-N -1 3 248.326 3.107 20 0 BGADHM Cc1n[n-]c(C(C)C)c1C(=O)O[C@H]1C=CCCC1 ZINC000786342530 585890297 /nfs/dbraw/zinc/89/02/97/585890297.db2.gz QDKVDPQTJKPFNP-NSHDSACASA-N -1 3 248.326 3.107 20 0 BGADHM Cc1[n-]nc(C(C)C)c1C(=O)O[C@H]1C=CCCC1 ZINC000786342530 585890296 /nfs/dbraw/zinc/89/02/96/585890296.db2.gz QDKVDPQTJKPFNP-NSHDSACASA-N -1 3 248.326 3.107 20 0 BGADHM Cc1n[n-]c(C(C)C)c1C(=O)OCCC(C)C ZINC000786343387 585890147 /nfs/dbraw/zinc/89/01/47/585890147.db2.gz UEMOWXSILGJWSU-UHFFFAOYSA-N -1 3 238.331 3.044 20 0 BGADHM Cc1[n-]nc(C(C)C)c1C(=O)OCCC(C)C ZINC000786343387 585890146 /nfs/dbraw/zinc/89/01/46/585890146.db2.gz UEMOWXSILGJWSU-UHFFFAOYSA-N -1 3 238.331 3.044 20 0 BGADHM CCC[C@@H](C)OC(=O)c1c(C)n[n-]c1C(C)C ZINC000786345424 585890125 /nfs/dbraw/zinc/89/01/25/585890125.db2.gz VUPLLAVTAJHGME-SECBINFHSA-N -1 3 238.331 3.187 20 0 BGADHM CCC[C@@H](C)OC(=O)c1c(C)[n-]nc1C(C)C ZINC000786345424 585890124 /nfs/dbraw/zinc/89/01/24/585890124.db2.gz VUPLLAVTAJHGME-SECBINFHSA-N -1 3 238.331 3.187 20 0 BGADHM CCC[C@H](C)OC(=O)c1c(C)n[n-]c1C(C)C ZINC000786345425 585890160 /nfs/dbraw/zinc/89/01/60/585890160.db2.gz VUPLLAVTAJHGME-VIFPVBQESA-N -1 3 238.331 3.187 20 0 BGADHM CCC[C@H](C)OC(=O)c1c(C)[n-]nc1C(C)C ZINC000786345425 585890159 /nfs/dbraw/zinc/89/01/59/585890159.db2.gz VUPLLAVTAJHGME-VIFPVBQESA-N -1 3 238.331 3.187 20 0 BGADHM C[C@@H](OC(=O)c1cc2ccsc2[n-]1)C(F)F ZINC000786521736 584022816 /nfs/dbraw/zinc/02/28/16/584022816.db2.gz GJRKRBFTDOHZKK-RXMQYKEDSA-N -1 3 245.250 3.040 20 0 BGADHM C[C@H](OC(=O)c1cc2ccsc2[n-]1)C(F)F ZINC000786521739 584022417 /nfs/dbraw/zinc/02/24/17/584022417.db2.gz GJRKRBFTDOHZKK-YFKPBYRVSA-N -1 3 245.250 3.040 20 0 BGADHM CC(C)CON=c1[n-]cncc1-c1ccccc1 ZINC000788077830 585006262 /nfs/dbraw/zinc/00/62/62/585006262.db2.gz ZAXLEYINUGOJOO-UHFFFAOYSA-N -1 3 243.310 3.143 20 0 BGADHM CC[C@@H](C)NC(=O)c1cc2sccc2c([O-])c1 ZINC000788261271 585919930 /nfs/dbraw/zinc/91/99/30/585919930.db2.gz LKRQUUHINUKFGK-MRVPVSSYSA-N -1 3 249.335 3.135 20 0 BGADHM CC[C@H](C)NC(=O)c1cc2sccc2c([O-])c1 ZINC000788261272 585919805 /nfs/dbraw/zinc/91/98/05/585919805.db2.gz LKRQUUHINUKFGK-QMMMGPOBSA-N -1 3 249.335 3.135 20 0 BGADHM CCN(CC)C(=O)c1cc2sccc2c([O-])c1 ZINC000788264230 585920132 /nfs/dbraw/zinc/92/01/32/585920132.db2.gz VIVXREQRORUMMD-UHFFFAOYSA-N -1 3 249.335 3.089 20 0 BGADHM CCCCNC(=O)c1cc2sccc2c([O-])c1 ZINC000788264794 585920076 /nfs/dbraw/zinc/92/00/76/585920076.db2.gz NNTSNZCYGFXEPN-UHFFFAOYSA-N -1 3 249.335 3.137 20 0 BGADHM CC(C)N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC000788272429 585920647 /nfs/dbraw/zinc/92/06/47/585920647.db2.gz WPEWARGVOGJIOY-UHFFFAOYSA-N -1 3 249.335 3.087 20 0 BGADHM C[C@H](COC(=O)c1cc2ccsc2[n-]1)C1CC1 ZINC000789608082 585946279 /nfs/dbraw/zinc/94/62/79/585946279.db2.gz LFZXORSLABCZQX-MRVPVSSYSA-N -1 3 249.335 3.432 20 0 BGADHM C[C@@H](COC(=O)c1cc2ccsc2[n-]1)C1CC1 ZINC000789608083 585946374 /nfs/dbraw/zinc/94/63/74/585946374.db2.gz LFZXORSLABCZQX-QMMMGPOBSA-N -1 3 249.335 3.432 20 0 BGADHM Cc1n[n-]c(C(C)C)c1C(=O)O[C@@H](C)C(C)C ZINC000789804513 585950746 /nfs/dbraw/zinc/95/07/46/585950746.db2.gz SGFPAVVFGPPAJR-JTQLQIEISA-N -1 3 238.331 3.043 20 0 BGADHM Cc1[n-]nc(C(C)C)c1C(=O)O[C@@H](C)C(C)C ZINC000789804513 585950745 /nfs/dbraw/zinc/95/07/45/585950745.db2.gz SGFPAVVFGPPAJR-JTQLQIEISA-N -1 3 238.331 3.043 20 0 BGADHM Cc1n[n-]c(C(C)C)c1C(=O)O[C@H](C)C(C)C ZINC000789804514 585950676 /nfs/dbraw/zinc/95/06/76/585950676.db2.gz SGFPAVVFGPPAJR-SNVBAGLBSA-N -1 3 238.331 3.043 20 0 BGADHM Cc1[n-]nc(C(C)C)c1C(=O)O[C@H](C)C(C)C ZINC000789804514 585950675 /nfs/dbraw/zinc/95/06/75/585950675.db2.gz SGFPAVVFGPPAJR-SNVBAGLBSA-N -1 3 238.331 3.043 20 0 BGADHM C/C(=C\C(C)(C)C)C(=O)Nc1nc(C)ccc1[O-] ZINC000790073300 585957671 /nfs/dbraw/zinc/95/76/71/585957671.db2.gz QOHBXAZHXIEVEK-CMDGGOBGSA-N -1 3 248.326 3.027 20 0 BGADHM C/C(=C/C(C)(C)C)C(=O)Nc1nc(C)ccc1[O-] ZINC000790073303 585957654 /nfs/dbraw/zinc/95/76/54/585957654.db2.gz QOHBXAZHXIEVEK-HJWRWDBZSA-N -1 3 248.326 3.027 20 0 BGADHM O=c1ccnc(C=Cc2ccsc2Cl)[n-]1 ZINC000790219261 585961481 /nfs/dbraw/zinc/96/14/81/585961481.db2.gz IRDQIVJOMHILBM-OWOJBTEDSA-N -1 3 238.699 3.068 20 0 BGADHM O=c1ccnc(C=Cc2ccsc2Cl)[n-]1 ZINC000790219432 585961368 /nfs/dbraw/zinc/96/13/68/585961368.db2.gz IRDQIVJOMHILBM-UPHRSURJSA-N -1 3 238.699 3.068 20 0 BGADHM CC1(COC(=O)c2cc3ccsc3[n-]2)CC1 ZINC000790805604 585968791 /nfs/dbraw/zinc/96/87/91/585968791.db2.gz OUIKTNWZKUGROV-UHFFFAOYSA-N -1 3 235.308 3.186 20 0 BGADHM O=C(OCC1=CCCC1)c1cc2ccsc2[n-]1 ZINC000790824168 585969760 /nfs/dbraw/zinc/96/97/60/585969760.db2.gz URTKBQOXMVGEJA-UHFFFAOYSA-N -1 3 247.319 3.497 20 0 BGADHM CC(C)(C)NC(=O)c1cc2sccc2c([O-])c1 ZINC000791312622 585976932 /nfs/dbraw/zinc/97/69/32/585976932.db2.gz XOLSGOCMXHUMHT-UHFFFAOYSA-N -1 3 249.335 3.135 20 0 BGADHM Cc1cnc(Cl)nc1/C=C/c1cccc([O-])c1 ZINC000791434894 585981439 /nfs/dbraw/zinc/98/14/39/585981439.db2.gz OQUYXAPYNCIORR-AATRIKPKSA-N -1 3 246.697 3.314 20 0 BGADHM CO[N-]C(=O)C1(C2CCCCC2)CCCCC1 ZINC000792051735 585994895 /nfs/dbraw/zinc/99/48/95/585994895.db2.gz OMESDZWUMBCYFV-UHFFFAOYSA-N -1 3 239.359 3.195 20 0 BGADHM O=C(OCCCCCF)c1cc2occc2[n-]1 ZINC000792203528 585997642 /nfs/dbraw/zinc/99/76/42/585997642.db2.gz YYMYACRVYDRACX-UHFFFAOYSA-N -1 3 239.246 3.058 20 0 BGADHM CCC[C@](C)(CC)C(=O)[N-]OCc1ccccc1 ZINC000792852255 586005954 /nfs/dbraw/zinc/00/59/54/586005954.db2.gz BBYWLKONGUFDFC-HNNXBMFYSA-N -1 3 249.354 3.451 20 0 BGADHM CCC[C@@](C)(CC)C(=O)[N-]OCc1ccccc1 ZINC000792852256 586005772 /nfs/dbraw/zinc/00/57/72/586005772.db2.gz BBYWLKONGUFDFC-OAHLLOKOSA-N -1 3 249.354 3.451 20 0 BGADHM CCO[N-]C(=O)CC(C)(C)C1CCCCC1 ZINC000792932455 586007325 /nfs/dbraw/zinc/00/73/25/586007325.db2.gz PTTVUICWZGRMKS-UHFFFAOYSA-N -1 3 227.348 3.051 20 0 BGADHM CCC[C@@](C)(CC)C(=O)[N-]OC1CCCC1 ZINC000793771868 586026344 /nfs/dbraw/zinc/02/63/44/586026344.db2.gz JMXCTJKNIGDFEU-CYBMUJFWSA-N -1 3 227.348 3.193 20 0 BGADHM CCC[C@](C)(CC)C(=O)[N-]OC1CCCC1 ZINC000793771869 586026195 /nfs/dbraw/zinc/02/61/95/586026195.db2.gz JMXCTJKNIGDFEU-ZDUSSCGKSA-N -1 3 227.348 3.193 20 0 BGADHM CCCCCC(C)(C)C(=O)[N-]OCCSC ZINC000794186856 586034529 /nfs/dbraw/zinc/03/45/29/586034529.db2.gz CMRGGVCDLSGYLT-UHFFFAOYSA-N -1 3 247.404 3.004 20 0 BGADHM CCCC[C@@H](CC)CC(=O)[N-]OCCSC ZINC000794187085 586034577 /nfs/dbraw/zinc/03/45/77/586034577.db2.gz CQRRMLFSABRUGH-LLVKDONJSA-N -1 3 247.404 3.004 20 0 BGADHM CCCC[C@H](CC)CC(=O)[N-]OCCSC ZINC000794187086 586034412 /nfs/dbraw/zinc/03/44/12/586034412.db2.gz CQRRMLFSABRUGH-NSHDSACASA-N -1 3 247.404 3.004 20 0 BGADHM CSCCO[N-]C(=O)CCCCCC(C)C ZINC000794187551 586033747 /nfs/dbraw/zinc/03/37/47/586033747.db2.gz JHJOTRVZRZZPJA-UHFFFAOYSA-N -1 3 247.404 3.004 20 0 BGADHM CCCCC[C@@H](C)CC(=O)[N-]OCCSC ZINC000794188109 583594739 /nfs/dbraw/zinc/59/47/39/583594739.db2.gz MPTGBZXUFBZNEF-LLVKDONJSA-N -1 3 247.404 3.004 20 0 BGADHM CCCCC[C@H](C)CC(=O)[N-]OCCSC ZINC000794188110 583594826 /nfs/dbraw/zinc/59/48/26/583594826.db2.gz MPTGBZXUFBZNEF-NSHDSACASA-N -1 3 247.404 3.004 20 0 BGADHM CC[C@@H](C)CCCCC(=O)[N-]OCCSC ZINC000794191529 586034645 /nfs/dbraw/zinc/03/46/45/586034645.db2.gz VUBKWEYNLHWOIN-LLVKDONJSA-N -1 3 247.404 3.004 20 0 BGADHM CC[C@H](C)CCCCC(=O)[N-]OCCSC ZINC000794191531 586034838 /nfs/dbraw/zinc/03/48/38/586034838.db2.gz VUBKWEYNLHWOIN-NSHDSACASA-N -1 3 247.404 3.004 20 0 BGADHM CCCCCC[C@@H](C)C(=O)[N-]OCCSC ZINC000794195207 586035051 /nfs/dbraw/zinc/03/50/51/586035051.db2.gz JWCMYHVCVIKLLQ-LLVKDONJSA-N -1 3 247.404 3.004 20 0 BGADHM CCCCCC[C@H](C)C(=O)[N-]OCCSC ZINC000794195209 586034985 /nfs/dbraw/zinc/03/49/85/586034985.db2.gz JWCMYHVCVIKLLQ-NSHDSACASA-N -1 3 247.404 3.004 20 0 BGADHM CC1(C)CC(CC(=O)[N-]OCc2ccccc2)C1 ZINC000794213095 586035369 /nfs/dbraw/zinc/03/53/69/586035369.db2.gz YRNDWOIKAFSEOI-UHFFFAOYSA-N -1 3 247.338 3.061 20 0 BGADHM CC1(C)CC(CC(=O)[N-]OC2CCCCC2)C1 ZINC000794437580 586039544 /nfs/dbraw/zinc/03/95/44/586039544.db2.gz RBWSBAUQFCOMSX-UHFFFAOYSA-N -1 3 239.359 3.193 20 0 BGADHM CCC[C@H](CC)SCc1nc(C)cc(=O)[n-]1 ZINC000794481438 586040417 /nfs/dbraw/zinc/04/04/17/586040417.db2.gz OHRNXOPRFNNREO-JTQLQIEISA-N -1 3 240.372 3.303 20 0 BGADHM CCC[C@@H](CC)SCc1nc(C)cc(=O)[n-]1 ZINC000794481441 586040367 /nfs/dbraw/zinc/04/03/67/586040367.db2.gz OHRNXOPRFNNREO-SNVBAGLBSA-N -1 3 240.372 3.303 20 0 BGADHM O=c1ccnc(C=Cc2ccc3occc3c2)[n-]1 ZINC000794702232 586047104 /nfs/dbraw/zinc/04/71/04/586047104.db2.gz OQKUSOCPCRCKMA-DUXPYHPUSA-N -1 3 238.246 3.099 20 0 BGADHM O=c1ccnc(C=Cc2ccc3occc3c2)[n-]1 ZINC000794702279 586047141 /nfs/dbraw/zinc/04/71/41/586047141.db2.gz OQKUSOCPCRCKMA-RQOWECAXSA-N -1 3 238.246 3.099 20 0 BGADHM CC[C@@H](C)CCC(=O)[N-]OCc1ccccc1 ZINC000794820575 586049941 /nfs/dbraw/zinc/04/99/41/586049941.db2.gz LJWQPMVAYNQDNQ-GFCCVEGCSA-N -1 3 235.327 3.061 20 0 BGADHM CC[C@H](C)CCC(=O)[N-]OCc1ccccc1 ZINC000794820576 586049937 /nfs/dbraw/zinc/04/99/37/586049937.db2.gz LJWQPMVAYNQDNQ-LBPRGKRZSA-N -1 3 235.327 3.061 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccccc1C ZINC000794842834 586050434 /nfs/dbraw/zinc/05/04/34/586050434.db2.gz MRUUNCLGUGTUHT-GFCCVEGCSA-N -1 3 249.354 3.022 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)CCc1ccccc1C ZINC000794842835 586050399 /nfs/dbraw/zinc/05/03/99/586050399.db2.gz MRUUNCLGUGTUHT-LBPRGKRZSA-N -1 3 249.354 3.022 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)CCc1ccc(C)cc1 ZINC000794843235 586050969 /nfs/dbraw/zinc/05/09/69/586050969.db2.gz PJBVLTZURPHVMY-GFCCVEGCSA-N -1 3 249.354 3.022 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)CCc1ccc(C)cc1 ZINC000794843236 586050683 /nfs/dbraw/zinc/05/06/83/586050683.db2.gz PJBVLTZURPHVMY-LBPRGKRZSA-N -1 3 249.354 3.022 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)CC1(C)CCCCC1 ZINC000794843541 586050820 /nfs/dbraw/zinc/05/08/20/586050820.db2.gz RXPWRMSPCVODKC-GFCCVEGCSA-N -1 3 241.375 3.441 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)CC1(C)CCCCC1 ZINC000794843543 586050987 /nfs/dbraw/zinc/05/09/87/586050987.db2.gz RXPWRMSPCVODKC-LBPRGKRZSA-N -1 3 241.375 3.441 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](CC)C(C)C ZINC000794843569 586050939 /nfs/dbraw/zinc/05/09/39/586050939.db2.gz SCAITPVGZBQCBX-NEPJUHHUSA-N -1 3 229.364 3.153 20 0 BGADHM CC[C@H](CC(=O)[N-]OC[C@@H](C)CC)C(C)C ZINC000794843570 586050738 /nfs/dbraw/zinc/05/07/38/586050738.db2.gz SCAITPVGZBQCBX-NWDGAFQWSA-N -1 3 229.364 3.153 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)C[C@H](CC)C(C)C ZINC000794843571 586050768 /nfs/dbraw/zinc/05/07/68/586050768.db2.gz SCAITPVGZBQCBX-RYUDHWBXSA-N -1 3 229.364 3.153 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)C[C@@H](CC)C(C)C ZINC000794843572 586050495 /nfs/dbraw/zinc/05/04/95/586050495.db2.gz SCAITPVGZBQCBX-VXGBXAGGSA-N -1 3 229.364 3.153 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)CC1(C)CCCC1 ZINC000794844263 586050955 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586050959 /nfs/dbraw/zinc/05/09/59/586050959.db2.gz IRHZBFIXAVBOMI-NEPJUHHUSA-N -1 3 229.364 3.153 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)C[C@H](C)CC(C)C ZINC000794850265 586050781 /nfs/dbraw/zinc/05/07/81/586050781.db2.gz IRHZBFIXAVBOMI-NWDGAFQWSA-N -1 3 229.364 3.153 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H](C)CC(C)C ZINC000794850267 586050721 /nfs/dbraw/zinc/05/07/21/586050721.db2.gz IRHZBFIXAVBOMI-RYUDHWBXSA-N -1 3 229.364 3.153 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)C[C@H](C)CC(C)C ZINC000794850895 586050694 /nfs/dbraw/zinc/05/06/94/586050694.db2.gz IRHZBFIXAVBOMI-VXGBXAGGSA-N -1 3 229.364 3.153 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)CC1CCCCC1 ZINC000794851676 586051318 /nfs/dbraw/zinc/05/13/18/586051318.db2.gz HHSOXBQFXDIXHV-LLVKDONJSA-N -1 3 227.348 3.051 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)CC1CCCCC1 ZINC000794851677 586051158 /nfs/dbraw/zinc/05/11/58/586051158.db2.gz HHSOXBQFXDIXHV-NSHDSACASA-N -1 3 227.348 3.051 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)CCCC(C)(C)C ZINC000794851911 586051162 /nfs/dbraw/zinc/05/11/62/586051162.db2.gz MPGDGPGLQOOWGS-LLVKDONJSA-N -1 3 229.364 3.297 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)CCCC(C)(C)C ZINC000794851913 586051272 /nfs/dbraw/zinc/05/12/72/586051272.db2.gz MPGDGPGLQOOWGS-NSHDSACASA-N -1 3 229.364 3.297 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)CCC1CCCC1 ZINC000794853692 586051284 /nfs/dbraw/zinc/05/12/84/586051284.db2.gz NHWMFKADAQHICU-LLVKDONJSA-N -1 3 227.348 3.051 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)CCC1CCCC1 ZINC000794853693 586051289 /nfs/dbraw/zinc/05/12/89/586051289.db2.gz NHWMFKADAQHICU-NSHDSACASA-N -1 3 227.348 3.051 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)C[C@H]1CCC[C@H](C)C1 ZINC000794854307 586051344 /nfs/dbraw/zinc/05/13/44/586051344.db2.gz QVDANWDYBKVVOP-AVGNSLFASA-N -1 3 241.375 3.297 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000794854310 586051211 /nfs/dbraw/zinc/05/12/11/586051211.db2.gz QVDANWDYBKVVOP-RWMBFGLXSA-N -1 3 241.375 3.297 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000794854312 586051202 /nfs/dbraw/zinc/05/12/02/586051202.db2.gz QVDANWDYBKVVOP-XQQFMLRXSA-N -1 3 241.375 3.297 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000794854316 586051308 /nfs/dbraw/zinc/05/13/08/586051308.db2.gz QVDANWDYBKVVOP-YNEHKIRRSA-N -1 3 241.375 3.297 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)/C=C(\C)c1ccccc1 ZINC000794862835 586051886 /nfs/dbraw/zinc/05/18/86/586051886.db2.gz GWYKSEWFTOFHDK-CVCOIXHCSA-N -1 3 247.338 3.184 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)/C=C(\C)c1ccccc1 ZINC000794862836 583623733 /nfs/dbraw/zinc/62/37/33/583623733.db2.gz GWYKSEWFTOFHDK-GMCKNXKJSA-N -1 3 247.338 3.184 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)/C=C(/C)c1ccccc1 ZINC000794862837 583623664 /nfs/dbraw/zinc/62/36/64/583623664.db2.gz GWYKSEWFTOFHDK-IXJPEXDMSA-N -1 3 247.338 3.184 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)/C=C(/C)c1ccccc1 ZINC000794862838 583623649 /nfs/dbraw/zinc/62/36/49/583623649.db2.gz GWYKSEWFTOFHDK-YGYTWAPGSA-N -1 3 247.338 3.184 20 0 BGADHM CCCC(C)(C)CC(=O)[N-]OC[C@H](C)CC ZINC000794867185 586052461 /nfs/dbraw/zinc/05/24/61/586052461.db2.gz WYUPKHSANLNWID-LLVKDONJSA-N -1 3 229.364 3.297 20 0 BGADHM CCCC(C)(C)CC(=O)[N-]OC[C@@H](C)CC ZINC000794867186 586052716 /nfs/dbraw/zinc/05/27/16/586052716.db2.gz WYUPKHSANLNWID-NSHDSACASA-N -1 3 229.364 3.297 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)CC1CCCCCC1 ZINC000794874549 586053186 /nfs/dbraw/zinc/05/31/86/586053186.db2.gz IDAUWEBFEIAAJQ-GFCCVEGCSA-N -1 3 241.375 3.441 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)CC1CCCCCC1 ZINC000794874564 586053235 /nfs/dbraw/zinc/05/32/35/586053235.db2.gz IDAUWEBFEIAAJQ-LBPRGKRZSA-N -1 3 241.375 3.441 20 0 BGADHM CCc1cccc(F)c1C=Cc1nccc(=O)[n-]1 ZINC000794942143 586057323 /nfs/dbraw/zinc/05/73/23/586057323.db2.gz IVZICLYKCFQWEZ-SREVYHEPSA-N -1 3 244.269 3.054 20 0 BGADHM CCc1cccc(F)c1C=Cc1nccc(=O)[n-]1 ZINC000794942144 586056954 /nfs/dbraw/zinc/05/69/54/586056954.db2.gz IVZICLYKCFQWEZ-VOTSOKGWSA-N -1 3 244.269 3.054 20 0 BGADHM O=c1ccnc(C=Cc2ccc(C(F)F)cc2)[n-]1 ZINC000794943280 586056925 /nfs/dbraw/zinc/05/69/25/586056925.db2.gz WYEUKYJUKMHKBP-UTCJRWHESA-N -1 3 248.232 3.290 20 0 BGADHM O=c1ccnc(C=Cc2ccc(C(F)F)cc2)[n-]1 ZINC000794943282 586057056 /nfs/dbraw/zinc/05/70/56/586057056.db2.gz WYEUKYJUKMHKBP-ZZXKWVIFSA-N -1 3 248.232 3.290 20 0 BGADHM O=C(CCC1CCCCC1)[N-]OCCCCF ZINC000795206735 586071754 /nfs/dbraw/zinc/07/17/54/586071754.db2.gz ZLEDIKDCLAGLHN-UHFFFAOYSA-N -1 3 245.338 3.144 20 0 BGADHM C/C=C\COC(=O)c1cc([O-])c2ccccc2c1 ZINC000795679486 586090861 /nfs/dbraw/zinc/09/08/61/586090861.db2.gz HPFRCVJQVWXOIH-IHWYPQMZSA-N -1 3 242.274 3.278 20 0 BGADHM C/C=C/COC(=O)c1cc([O-])c2ccccc2c1 ZINC000795679487 586090710 /nfs/dbraw/zinc/09/07/10/586090710.db2.gz HPFRCVJQVWXOIH-NSCUHMNNSA-N -1 3 242.274 3.278 20 0 BGADHM O=C(OCC1CC1)c1cc([O-])c2ccccc2c1 ZINC000795680700 586091201 /nfs/dbraw/zinc/09/12/01/586091201.db2.gz DYFBIZDNIHWFNR-UHFFFAOYSA-N -1 3 242.274 3.112 20 0 BGADHM O=C(OCCCF)c1cc([O-])c2ccccc2c1 ZINC000795680780 586091142 /nfs/dbraw/zinc/09/11/42/586091142.db2.gz GKFJMLGAAIGGKK-UHFFFAOYSA-N -1 3 248.253 3.062 20 0 BGADHM CC1(C)CCC[C@H]1OC(=O)c1ccc([O-])cc1 ZINC000799455199 586176108 /nfs/dbraw/zinc/17/61/08/586176108.db2.gz HFCXUDQHSSGNEB-GFCCVEGCSA-N -1 3 234.295 3.128 20 0 BGADHM CC1(C)CCC[C@@H]1OC(=O)c1ccc([O-])cc1 ZINC000799455200 586176133 /nfs/dbraw/zinc/17/61/33/586176133.db2.gz HFCXUDQHSSGNEB-LBPRGKRZSA-N -1 3 234.295 3.128 20 0 BGADHM CC1(C)CCC[C@H]1OC(=O)c1cc2occc2[n-]1 ZINC000799514491 586183484 /nfs/dbraw/zinc/18/34/84/586183484.db2.gz JABDGXDEMUAMKJ-GFCCVEGCSA-N -1 3 247.294 3.496 20 0 BGADHM CC1(C)CCC[C@@H]1OC(=O)c1cc2occc2[n-]1 ZINC000799514492 586183518 /nfs/dbraw/zinc/18/35/18/586183518.db2.gz JABDGXDEMUAMKJ-LBPRGKRZSA-N -1 3 247.294 3.496 20 0 BGADHM C/C=C/C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000800647934 586226550 /nfs/dbraw/zinc/22/65/50/586226550.db2.gz LZNQVMVZRQBVHE-AATRIKPKSA-N -1 3 233.311 3.204 20 0 BGADHM C/C=C\C(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000800647935 586226603 /nfs/dbraw/zinc/22/66/03/586226603.db2.gz LZNQVMVZRQBVHE-WAYWQWQTSA-N -1 3 233.311 3.204 20 0 BGADHM CCC(C)(C)C1CCC(CC(=O)[N-]OC)CC1 ZINC000801086637 586242029 /nfs/dbraw/zinc/24/20/29/586242029.db2.gz MRNOYRGTPKEDIV-UHFFFAOYSA-N -1 3 241.375 3.297 20 0 BGADHM CC[C@@H](C)CCC(=O)[N-]OC1CCCCC1 ZINC000803127974 586335559 /nfs/dbraw/zinc/33/55/59/586335559.db2.gz CDMCUNZEADLZIM-LLVKDONJSA-N -1 3 227.348 3.193 20 0 BGADHM CC[C@H](C)CCC(=O)[N-]OC1CCCCC1 ZINC000803127975 586335877 /nfs/dbraw/zinc/33/58/77/586335877.db2.gz CDMCUNZEADLZIM-NSHDSACASA-N -1 3 227.348 3.193 20 0 BGADHM O=C(OCCCCF)c1cc2ccsc2[n-]1 ZINC000803250400 586340635 /nfs/dbraw/zinc/34/06/35/586340635.db2.gz WFVRNHUFGNMPNC-UHFFFAOYSA-N -1 3 241.287 3.136 20 0 BGADHM CC(C)CO[N-]C(=O)CCCCC(C)(C)C ZINC000804481213 586396883 /nfs/dbraw/zinc/39/68/83/586396883.db2.gz FHGXDBAUGFYAEO-UHFFFAOYSA-N -1 3 229.364 3.297 20 0 BGADHM CSCCO[N-]C(=O)CCCCC(C)(C)C ZINC000804636402 586404248 /nfs/dbraw/zinc/40/42/48/586404248.db2.gz AMZHOSWNYSPHHI-UHFFFAOYSA-N -1 3 247.404 3.004 20 0 BGADHM CC(C)=CCO[N-]C(=O)CCC1CCCCC1 ZINC000808257062 586469085 /nfs/dbraw/zinc/46/90/85/586469085.db2.gz KMRZVQWYCDCLNB-UHFFFAOYSA-N -1 3 239.359 3.361 20 0 BGADHM CC1(CC(=O)[N-]OCc2ccccc2)CCCC1 ZINC000808376732 586469982 /nfs/dbraw/zinc/46/99/82/586469982.db2.gz KJVOUGVNIWNKTB-UHFFFAOYSA-N -1 3 247.338 3.205 20 0 BGADHM CC1(CC(=O)[N-]OC2CCCCC2)CCCC1 ZINC000808419930 586471776 /nfs/dbraw/zinc/47/17/76/586471776.db2.gz RSXZLTLVAHCNMA-UHFFFAOYSA-N -1 3 239.359 3.337 20 0 BGADHM CC(C)=CCOC(=O)c1cc([O-])ccc1Cl ZINC000808544157 586478841 /nfs/dbraw/zinc/47/88/41/586478841.db2.gz LINKOTCOIMKFQS-UHFFFAOYSA-N -1 3 240.686 3.169 20 0 BGADHM O=C(Nc1ccccc1[O-])C1(F)CCCCC1 ZINC000809986599 586529075 /nfs/dbraw/zinc/52/90/75/586529075.db2.gz KHPBXBTUWBNBGR-UHFFFAOYSA-N -1 3 237.274 3.003 20 0 BGADHM CCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810539412 586540672 /nfs/dbraw/zinc/54/06/72/586540672.db2.gz PICSZMMWIDJMFP-UHFFFAOYSA-N -1 3 243.715 3.450 20 0 BGADHM O=C(OCCF)c1cc2cc(Cl)sc2[n-]1 ZINC000810593224 586541957 /nfs/dbraw/zinc/54/19/57/586541957.db2.gz UBLOYWKZONPYGS-UHFFFAOYSA-N -1 3 247.678 3.009 20 0 BGADHM O=C(OC1CC1)c1cc2cc(Cl)sc2[n-]1 ZINC000810706236 586544893 /nfs/dbraw/zinc/54/48/93/586544893.db2.gz SZBLQUAZSSRHLD-UHFFFAOYSA-N -1 3 241.699 3.202 20 0 BGADHM C[C@@H](O[N-]C(=O)CC(C)(C)C)c1ccccc1 ZINC000811022581 586553219 /nfs/dbraw/zinc/55/32/19/586553219.db2.gz NYIDMNYXKCXFOI-LLVKDONJSA-N -1 3 235.327 3.232 20 0 BGADHM C[C@H](O[N-]C(=O)CC(C)(C)C)c1ccccc1 ZINC000811022582 586553453 /nfs/dbraw/zinc/55/34/53/586553453.db2.gz NYIDMNYXKCXFOI-NSHDSACASA-N -1 3 235.327 3.232 20 0 BGADHM CC(C)CCC(=O)[N-]O[C@H](C)c1ccccc1 ZINC000811023930 586553461 /nfs/dbraw/zinc/55/34/61/586553461.db2.gz LUQVCBXKQRVJMQ-GFCCVEGCSA-N -1 3 235.327 3.232 20 0 BGADHM CC(C)CCC(=O)[N-]O[C@@H](C)c1ccccc1 ZINC000811023931 586553247 /nfs/dbraw/zinc/55/32/47/586553247.db2.gz LUQVCBXKQRVJMQ-LBPRGKRZSA-N -1 3 235.327 3.232 20 0 BGADHM CCc1cc(C(=O)OC2CCCC2)ccc1[O-] ZINC000811304569 586557993 /nfs/dbraw/zinc/55/79/93/586557993.db2.gz URRJFZQJKQNCGD-UHFFFAOYSA-N -1 3 234.295 3.054 20 0 BGADHM O=C(CCCC1CCCC1)[N-]OC/C=C/Cl ZINC000812397611 586575266 /nfs/dbraw/zinc/57/52/66/586575266.db2.gz HWWVMXRCQHWMSL-RUDMXATFSA-N -1 3 245.750 3.147 20 0 BGADHM O=C(CCCC1CCCC1)[N-]OC/C=C\Cl ZINC000812397612 586575379 /nfs/dbraw/zinc/57/53/79/586575379.db2.gz HWWVMXRCQHWMSL-WTKPLQERSA-N -1 3 245.750 3.147 20 0 BGADHM CC[C@@H](C)CCCCC(=O)[N-]OC/C=C\Cl ZINC000812398351 586575467 /nfs/dbraw/zinc/57/54/67/586575467.db2.gz OXWZDCXVGNFFCC-DHHDDZJSSA-N -1 3 247.766 3.393 20 0 BGADHM CC[C@H](C)CCCCC(=O)[N-]OC/C=C/Cl ZINC000812398354 586575291 /nfs/dbraw/zinc/57/52/91/586575291.db2.gz OXWZDCXVGNFFCC-LAHYYIKRSA-N -1 3 247.766 3.393 20 0 BGADHM CC[C@@H](C)CCCCC(=O)[N-]OC/C=C/Cl ZINC000812398356 586575302 /nfs/dbraw/zinc/57/53/02/586575302.db2.gz OXWZDCXVGNFFCC-OALRPVAKSA-N -1 3 247.766 3.393 20 0 BGADHM CC[C@H](C)CCCCC(=O)[N-]OC/C=C\Cl ZINC000812398357 586575335 /nfs/dbraw/zinc/57/53/35/586575335.db2.gz OXWZDCXVGNFFCC-WDDYJBPVSA-N -1 3 247.766 3.393 20 0 BGADHM O=C(CCC1CCCCC1)[N-]OC/C=C/Cl ZINC000812399351 586575620 /nfs/dbraw/zinc/57/56/20/586575620.db2.gz MVNYMRHTPKEFPO-RUDMXATFSA-N -1 3 245.750 3.147 20 0 BGADHM O=C(CCC1CCCCC1)[N-]OC/C=C\Cl ZINC000812399352 586575655 /nfs/dbraw/zinc/57/56/55/586575655.db2.gz MVNYMRHTPKEFPO-WTKPLQERSA-N -1 3 245.750 3.147 20 0 BGADHM CCCC[C@@H](CC)CC(=O)[N-]OC/C=C\Cl ZINC000812400365 586575764 /nfs/dbraw/zinc/57/57/64/586575764.db2.gz KNMLRKWKAJCJJI-BPOWMSRESA-N -1 3 247.766 3.393 20 0 BGADHM CCCC[C@H](CC)CC(=O)[N-]OC/C=C/Cl ZINC000812400366 586575542 /nfs/dbraw/zinc/57/55/42/586575542.db2.gz KNMLRKWKAJCJJI-IOCXFXADSA-N -1 3 247.766 3.393 20 0 BGADHM CCCC[C@H](CC)CC(=O)[N-]OC/C=C\Cl ZINC000812400367 586575629 /nfs/dbraw/zinc/57/56/29/586575629.db2.gz KNMLRKWKAJCJJI-JYKYSHPRSA-N -1 3 247.766 3.393 20 0 BGADHM CCCC[C@@H](CC)CC(=O)[N-]OC/C=C/Cl ZINC000812400368 586575756 /nfs/dbraw/zinc/57/57/56/586575756.db2.gz KNMLRKWKAJCJJI-LXSSAFMLSA-N -1 3 247.766 3.393 20 0 BGADHM CC(C)CCCCCC(=O)[N-]OC/C=C/Cl ZINC000812400373 586575562 /nfs/dbraw/zinc/57/55/62/586575562.db2.gz KQZUCYCIUQAHBZ-RMKNXTFCSA-N -1 3 247.766 3.393 20 0 BGADHM CC(C)CCCCCC(=O)[N-]OC/C=C\Cl ZINC000812400374 586575568 /nfs/dbraw/zinc/57/55/68/586575568.db2.gz KQZUCYCIUQAHBZ-TWGQIWQCSA-N -1 3 247.766 3.393 20 0 BGADHM CCCCC[C@@H](C)CC(=O)[N-]OC/C=C\Cl ZINC000812400615 586575664 /nfs/dbraw/zinc/57/56/64/586575664.db2.gz AAXODKHBHYONES-BPOWMSRESA-N -1 3 247.766 3.393 20 0 BGADHM CCCCC[C@H](C)CC(=O)[N-]OC/C=C/Cl ZINC000812400616 586575670 /nfs/dbraw/zinc/57/56/70/586575670.db2.gz AAXODKHBHYONES-IOCXFXADSA-N -1 3 247.766 3.393 20 0 BGADHM CCCCC[C@H](C)CC(=O)[N-]OC/C=C\Cl ZINC000812400617 586575519 /nfs/dbraw/zinc/57/55/19/586575519.db2.gz AAXODKHBHYONES-JYKYSHPRSA-N -1 3 247.766 3.393 20 0 BGADHM CCCCC[C@@H](C)CC(=O)[N-]OC/C=C/Cl ZINC000812400618 586575623 /nfs/dbraw/zinc/57/56/23/586575623.db2.gz AAXODKHBHYONES-LXSSAFMLSA-N -1 3 247.766 3.393 20 0 BGADHM C[C@@H]1CCC[C@H](CC(=O)[N-]OC/C=C\Cl)C1 ZINC000812403298 586575962 /nfs/dbraw/zinc/57/59/62/586575962.db2.gz QCTJFYBDBQUCMZ-APUFIWCYSA-N -1 3 245.750 3.003 20 0 BGADHM C[C@@H]1CCC[C@@H](CC(=O)[N-]OC/C=C\Cl)C1 ZINC000812403299 582514844 /nfs/dbraw/zinc/51/48/44/582514844.db2.gz QCTJFYBDBQUCMZ-KQLCGWBMSA-N -1 3 245.750 3.003 20 0 BGADHM C[C@@H]1CCC[C@H](CC(=O)[N-]OC/C=C/Cl)C1 ZINC000812403300 582514708 /nfs/dbraw/zinc/51/47/08/582514708.db2.gz QCTJFYBDBQUCMZ-MFFLNWJUSA-N -1 3 245.750 3.003 20 0 BGADHM C[C@@H]1CCC[C@@H](CC(=O)[N-]OC/C=C/Cl)C1 ZINC000812403304 582514881 /nfs/dbraw/zinc/51/48/81/582514881.db2.gz QCTJFYBDBQUCMZ-NNPIPJJVSA-N -1 3 245.750 3.003 20 0 BGADHM C[C@H](CC(=O)[N-]OC/C=C/Cl)CC(C)(C)C ZINC000812403928 586575821 /nfs/dbraw/zinc/57/58/21/586575821.db2.gz ULUGIKPHONPUOC-BRAIEQGRSA-N -1 3 247.766 3.249 20 0 BGADHM C[C@@H](CC(=O)[N-]OC/C=C\Cl)CC(C)(C)C ZINC000812403930 586575852 /nfs/dbraw/zinc/57/58/52/586575852.db2.gz ULUGIKPHONPUOC-OMMCCPJFSA-N -1 3 247.766 3.249 20 0 BGADHM C[C@@H](CC(=O)[N-]OC/C=C/Cl)CC(C)(C)C ZINC000812403931 586575965 /nfs/dbraw/zinc/57/59/65/586575965.db2.gz ULUGIKPHONPUOC-PORFMDCZSA-N -1 3 247.766 3.249 20 0 BGADHM C[C@H](CC(=O)[N-]OC/C=C\Cl)CC(C)(C)C ZINC000812403933 586575845 /nfs/dbraw/zinc/57/58/45/586575845.db2.gz ULUGIKPHONPUOC-WWQCOOJYSA-N -1 3 247.766 3.249 20 0 BGADHM CC1(C(=O)[N-]OC/C=C/Cl)CCCCCC1 ZINC000812403982 586575989 /nfs/dbraw/zinc/57/59/89/586575989.db2.gz VITDWFAJPMUNKB-RMKNXTFCSA-N -1 3 245.750 3.147 20 0 BGADHM CC1(C(=O)[N-]OC/C=C\Cl)CCCCCC1 ZINC000812403983 586575938 /nfs/dbraw/zinc/57/59/38/586575938.db2.gz VITDWFAJPMUNKB-TWGQIWQCSA-N -1 3 245.750 3.147 20 0 BGADHM CCCCCC(C)(C)C(=O)[N-]OC/C=C\Cl ZINC000812404768 586576176 /nfs/dbraw/zinc/57/61/76/586576176.db2.gz KLIFTFFESNJQFB-CLFYSBASSA-N -1 3 247.766 3.393 20 0 BGADHM CCCCCC(C)(C)C(=O)[N-]OC/C=C/Cl ZINC000812404769 586576357 /nfs/dbraw/zinc/57/63/57/586576357.db2.gz KLIFTFFESNJQFB-VQHVLOKHSA-N -1 3 247.766 3.393 20 0 BGADHM O=C(CC1CCCCCC1)[N-]OC/C=C/Cl ZINC000812404916 586576338 /nfs/dbraw/zinc/57/63/38/586576338.db2.gz MDDJXOAFBSTAKD-VMPITWQZSA-N -1 3 245.750 3.147 20 0 BGADHM O=C(CC1CCCCCC1)[N-]OC/C=C\Cl ZINC000812404917 586576355 /nfs/dbraw/zinc/57/63/55/586576355.db2.gz MDDJXOAFBSTAKD-YVMONPNESA-N -1 3 245.750 3.147 20 0 BGADHM CC1(CC(=O)[N-]OC/C=C/Cl)CCCCC1 ZINC000812405451 586576353 /nfs/dbraw/zinc/57/63/53/586576353.db2.gz YYDDJMJXTCBQFT-VMPITWQZSA-N -1 3 245.750 3.147 20 0 BGADHM CC1(CC(=O)[N-]OC/C=C\Cl)CCCCC1 ZINC000812405452 586576223 /nfs/dbraw/zinc/57/62/23/586576223.db2.gz YYDDJMJXTCBQFT-YVMONPNESA-N -1 3 245.750 3.147 20 0 BGADHM C[C@@H]1CCCC[C@H]1CC(=O)[N-]OC/C=C/Cl ZINC000812406098 586576189 /nfs/dbraw/zinc/57/61/89/586576189.db2.gz MOUYRUBFUARBKX-CEIHKIRRSA-N -1 3 245.750 3.003 20 0 BGADHM C[C@@H]1CCCC[C@@H]1CC(=O)[N-]OC/C=C\Cl ZINC000812406099 586576173 /nfs/dbraw/zinc/57/61/73/586576173.db2.gz MOUYRUBFUARBKX-HQPPDGJXSA-N -1 3 245.750 3.003 20 0 BGADHM C[C@@H]1CCCC[C@@H]1CC(=O)[N-]OC/C=C/Cl ZINC000812406100 586576359 /nfs/dbraw/zinc/57/63/59/586576359.db2.gz MOUYRUBFUARBKX-OZSGMGSPSA-N -1 3 245.750 3.003 20 0 BGADHM C[C@@H]1CCCC[C@H]1CC(=O)[N-]OC/C=C\Cl ZINC000812406101 586576280 /nfs/dbraw/zinc/57/62/80/586576280.db2.gz MOUYRUBFUARBKX-PGZRXROLSA-N -1 3 245.750 3.003 20 0 BGADHM CCC(CC)(CC)C(=O)[N-]OC/C=C/Cl ZINC000812406819 586576215 /nfs/dbraw/zinc/57/62/15/586576215.db2.gz HNNAYRONXBRRNS-BQYQJAHWSA-N -1 3 233.739 3.003 20 0 BGADHM CCC(CC)(CC)C(=O)[N-]OC/C=C\Cl ZINC000812406820 586576326 /nfs/dbraw/zinc/57/63/26/586576326.db2.gz HNNAYRONXBRRNS-FPLPWBNLSA-N -1 3 233.739 3.003 20 0 BGADHM CC(C)(C)CCCCC(=O)[N-]OC/C=C/Cl ZINC000812407071 586576363 /nfs/dbraw/zinc/57/63/63/586576363.db2.gz JHBQVXWLTUCIFV-RMKNXTFCSA-N -1 3 247.766 3.393 20 0 BGADHM CC(C)(C)CCCCC(=O)[N-]OC/C=C\Cl ZINC000812407073 586576365 /nfs/dbraw/zinc/57/63/65/586576365.db2.gz JHBQVXWLTUCIFV-TWGQIWQCSA-N -1 3 247.766 3.393 20 0 BGADHM CCCC(C)(C)CC(=O)[N-]OC/C=C\Cl ZINC000812407224 586576559 /nfs/dbraw/zinc/57/65/59/586576559.db2.gz HNMNDWKAXTWQLG-ALCCZGGFSA-N -1 3 233.739 3.003 20 0 BGADHM CCCC(C)(C)CC(=O)[N-]OC/C=C/Cl ZINC000812407225 586576549 /nfs/dbraw/zinc/57/65/49/586576549.db2.gz HNMNDWKAXTWQLG-FNORWQNLSA-N -1 3 233.739 3.003 20 0 BGADHM CCCC[C@@H](CC)CC(=O)[N-]OC1CCC1 ZINC000812787628 712586571 /nfs/dbraw/zinc/58/65/71/712586571.db2.gz AQBUUDOYHROIRR-LLVKDONJSA-N -1 3 227.348 3.193 20 0 BGADHM CCCC[C@H](CC)CC(=O)[N-]OC1CCC1 ZINC000812787629 712586575 /nfs/dbraw/zinc/58/65/75/712586575.db2.gz AQBUUDOYHROIRR-NSHDSACASA-N -1 3 227.348 3.193 20 0 BGADHM O=C(CCCC1CCCCC1)[N-]OC1CCC1 ZINC000812788294 712586557 /nfs/dbraw/zinc/58/65/57/712586557.db2.gz SISUTNSWUORBPL-UHFFFAOYSA-N -1 3 239.359 3.337 20 0 BGADHM CC[C@@H](C)CCCCC(=O)[N-]OC1CCC1 ZINC000812788741 586584662 /nfs/dbraw/zinc/58/46/62/586584662.db2.gz YBURPCGOJAUARO-LLVKDONJSA-N -1 3 227.348 3.193 20 0 BGADHM CC[C@H](C)CCCCC(=O)[N-]OC1CCC1 ZINC000812788742 586584506 /nfs/dbraw/zinc/58/45/06/586584506.db2.gz YBURPCGOJAUARO-NSHDSACASA-N -1 3 227.348 3.193 20 0 BGADHM CC(C)CCCCCC(=O)[N-]OC1CCC1 ZINC000812789030 586584511 /nfs/dbraw/zinc/58/45/11/586584511.db2.gz IXYWXNPOHATOGJ-UHFFFAOYSA-N -1 3 227.348 3.193 20 0 BGADHM CC1(C)CCC(CC(=O)[N-]OC2CCC2)CC1 ZINC000812789371 586584650 /nfs/dbraw/zinc/58/46/50/586584650.db2.gz WSWZRKJXEHLCFS-UHFFFAOYSA-N -1 3 239.359 3.193 20 0 BGADHM CC(C)CC1(C(=O)[N-]OC2CCC2)CCCC1 ZINC000812789730 643378985 /nfs/dbraw/zinc/37/89/85/643378985.db2.gz MLCIZJXMCRZSOV-UHFFFAOYSA-N -1 3 239.359 3.193 20 0 BGADHM CCCCC[C@@H](C)CC(=O)[N-]OC1CCC1 ZINC000812790534 586584805 /nfs/dbraw/zinc/58/48/05/586584805.db2.gz WUAAIPVBEIPYGR-LLVKDONJSA-N -1 3 227.348 3.193 20 0 BGADHM CCCCC[C@H](C)CC(=O)[N-]OC1CCC1 ZINC000812790535 586584851 /nfs/dbraw/zinc/58/48/51/586584851.db2.gz WUAAIPVBEIPYGR-NSHDSACASA-N -1 3 227.348 3.193 20 0 BGADHM C[C@H](CC(=O)[N-]OC1CCC1)C1CCCCC1 ZINC000812791649 586585179 /nfs/dbraw/zinc/58/51/79/586585179.db2.gz ZDDUVYWHPRWWPS-LLVKDONJSA-N -1 3 239.359 3.193 20 0 BGADHM C[C@@H](CC(=O)[N-]OC1CCC1)C1CCCCC1 ZINC000812791650 586585365 /nfs/dbraw/zinc/58/53/65/586585365.db2.gz ZDDUVYWHPRWWPS-NSHDSACASA-N -1 3 239.359 3.193 20 0 BGADHM C[C@@H](CC(=O)[N-]OC1CCC1)CC(C)(C)C ZINC000812791787 586585130 /nfs/dbraw/zinc/58/51/30/586585130.db2.gz XSFNZTURCWSWKL-JTQLQIEISA-N -1 3 227.348 3.049 20 0 BGADHM C[C@H](CC(=O)[N-]OC1CCC1)CC(C)(C)C ZINC000812791788 586585170 /nfs/dbraw/zinc/58/51/70/586585170.db2.gz XSFNZTURCWSWKL-SNVBAGLBSA-N -1 3 227.348 3.049 20 0 BGADHM CCCCCC(C)(C)C(=O)[N-]OC1CCC1 ZINC000812792049 586585175 /nfs/dbraw/zinc/58/51/75/586585175.db2.gz JHOPMQYXJITTFG-UHFFFAOYSA-N -1 3 227.348 3.193 20 0 BGADHM CC[C@H](CC(=O)[N-]OC1CCC1)c1ccccc1 ZINC000812792282 586585628 /nfs/dbraw/zinc/58/56/28/586585628.db2.gz SIIYKBCFOLLHDB-GFCCVEGCSA-N -1 3 247.338 3.171 20 0 BGADHM CC[C@@H](CC(=O)[N-]OC1CCC1)c1ccccc1 ZINC000812792283 586585518 /nfs/dbraw/zinc/58/55/18/586585518.db2.gz SIIYKBCFOLLHDB-LBPRGKRZSA-N -1 3 247.338 3.171 20 0 BGADHM Cc1ccccc1[C@H](C)CC(=O)[N-]OC1CCC1 ZINC000812792468 586585539 /nfs/dbraw/zinc/58/55/39/586585539.db2.gz AWTFHKGSGRGHML-GFCCVEGCSA-N -1 3 247.338 3.089 20 0 BGADHM Cc1ccccc1[C@@H](C)CC(=O)[N-]OC1CCC1 ZINC000812792469 586585672 /nfs/dbraw/zinc/58/56/72/586585672.db2.gz AWTFHKGSGRGHML-LBPRGKRZSA-N -1 3 247.338 3.089 20 0 BGADHM O=C(CC/C=C/c1ccccc1)[N-]OC1CCC1 ZINC000812793085 586585640 /nfs/dbraw/zinc/58/56/40/586585640.db2.gz NYCNOGDDGAMWGB-RUDMXATFSA-N -1 3 245.322 3.080 20 0 BGADHM O=C(CC/C=C\c1ccccc1)[N-]OC1CCC1 ZINC000812793086 586585642 /nfs/dbraw/zinc/58/56/42/586585642.db2.gz NYCNOGDDGAMWGB-WTKPLQERSA-N -1 3 245.322 3.080 20 0 BGADHM C[C@H](CCC(=O)[N-]OC1CCC1)c1ccccc1 ZINC000812795012 586585875 /nfs/dbraw/zinc/58/58/75/586585875.db2.gz UGNJFJCTMBLASG-GFCCVEGCSA-N -1 3 247.338 3.171 20 0 BGADHM C[C@@H](CCC(=O)[N-]OC1CCC1)c1ccccc1 ZINC000812795013 586585832 /nfs/dbraw/zinc/58/58/32/586585832.db2.gz UGNJFJCTMBLASG-LBPRGKRZSA-N -1 3 247.338 3.171 20 0 BGADHM CC1(C)CCCC[C@@H]1CC(=O)[N-]OC1CCC1 ZINC000812795188 586586186 /nfs/dbraw/zinc/58/61/86/586586186.db2.gz XJMNSJJAWAMDIB-LLVKDONJSA-N -1 3 239.359 3.193 20 0 BGADHM CC1(C)CCCC[C@H]1CC(=O)[N-]OC1CCC1 ZINC000812795189 586586195 /nfs/dbraw/zinc/58/61/95/586586195.db2.gz XJMNSJJAWAMDIB-NSHDSACASA-N -1 3 239.359 3.193 20 0 BGADHM CC(C)(C)CCCCC(=O)[N-]OC1CCC1 ZINC000812795818 586586029 /nfs/dbraw/zinc/58/60/29/586586029.db2.gz DDFZTDVXIVRIIN-UHFFFAOYSA-N -1 3 227.348 3.193 20 0 BGADHM CC1CC(OC(=O)c2cc3ccsc3[n-]2)C1 ZINC000813229614 586597633 /nfs/dbraw/zinc/59/76/33/586597633.db2.gz MBVUORIJUHLBGZ-UHFFFAOYSA-N -1 3 235.308 3.185 20 0 BGADHM CCCCCCNC(=O)c1ccc([O-])c(CC)c1 ZINC000813398381 586601789 /nfs/dbraw/zinc/60/17/89/586601789.db2.gz SOCOHHBGXGKUFK-UHFFFAOYSA-N -1 3 249.354 3.265 20 0 BGADHM CC[C@H](C)CON=c1ccnc(C(C)(C)C)[n-]1 ZINC000813621807 586604650 /nfs/dbraw/zinc/60/46/50/586604650.db2.gz GFVIVUTUJWJGGM-JTQLQIEISA-N -1 3 237.347 3.164 20 0 BGADHM CC[C@@H](C)CON=c1ccnc(C(C)(C)C)[n-]1 ZINC000813621808 586604684 /nfs/dbraw/zinc/60/46/84/586604684.db2.gz GFVIVUTUJWJGGM-SNVBAGLBSA-N -1 3 237.347 3.164 20 0 BGADHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(C)s1 ZINC000813824208 586607128 /nfs/dbraw/zinc/60/71/28/586607128.db2.gz MNBUDRWMURMHAD-MRVPVSSYSA-N -1 3 242.344 3.156 20 0 BGADHM CC[C@@H](C)CON=C([O-])Nc1ccc(C)s1 ZINC000813824208 586607127 /nfs/dbraw/zinc/60/71/27/586607127.db2.gz MNBUDRWMURMHAD-MRVPVSSYSA-N -1 3 242.344 3.156 20 0 BGADHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(C)s1 ZINC000813824209 586607074 /nfs/dbraw/zinc/60/70/74/586607074.db2.gz MNBUDRWMURMHAD-QMMMGPOBSA-N -1 3 242.344 3.156 20 0 BGADHM CC[C@H](C)CON=C([O-])Nc1ccc(C)s1 ZINC000813824209 586607073 /nfs/dbraw/zinc/60/70/73/586607073.db2.gz MNBUDRWMURMHAD-QMMMGPOBSA-N -1 3 242.344 3.156 20 0 BGADHM Cc1ccc(NC(=O)[N-]OCCC2CC2)c(C)c1 ZINC000814308189 586621252 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UIECDFMTRDJNRV-VMPITWQZSA-N -1 3 239.702 3.340 20 0 BGADHM CC/C=C(/C)C(=O)Nc1c([O-])cccc1Cl ZINC000820510923 587051994 /nfs/dbraw/zinc/05/19/94/587051994.db2.gz UIECDFMTRDJNRV-YVMONPNESA-N -1 3 239.702 3.340 20 0 BGADHM CC[C@@H](C)CSc1ccccc1-c1nn[n-]n1 ZINC000820869583 587078587 /nfs/dbraw/zinc/07/85/87/587078587.db2.gz IAYNYMFMJFQNCU-SECBINFHSA-N -1 3 248.355 3.005 20 0 BGADHM CC[C@@H](C)CSc1ccccc1-c1nnn[n-]1 ZINC000820869583 587078585 /nfs/dbraw/zinc/07/85/85/587078585.db2.gz IAYNYMFMJFQNCU-SECBINFHSA-N -1 3 248.355 3.005 20 0 BGADHM CC[C@H](C)CSc1ccccc1-c1nn[n-]n1 ZINC000820869584 587078719 /nfs/dbraw/zinc/07/87/19/587078719.db2.gz IAYNYMFMJFQNCU-VIFPVBQESA-N -1 3 248.355 3.005 20 0 BGADHM CC[C@H](C)CSc1ccccc1-c1nnn[n-]1 ZINC000820869584 587078717 /nfs/dbraw/zinc/07/87/17/587078717.db2.gz IAYNYMFMJFQNCU-VIFPVBQESA-N -1 3 248.355 3.005 20 0 BGADHM CC[C@@H](C)CSc1cccc(-c2nn[n-]n2)c1 ZINC000820869790 587078362 /nfs/dbraw/zinc/07/83/62/587078362.db2.gz IUDRFWGIQYFKAK-SECBINFHSA-N -1 3 248.355 3.005 20 0 BGADHM CC[C@@H](C)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820869790 587078361 /nfs/dbraw/zinc/07/83/61/587078361.db2.gz IUDRFWGIQYFKAK-SECBINFHSA-N -1 3 248.355 3.005 20 0 BGADHM CC[C@H](C)CSc1cccc(-c2nn[n-]n2)c1 ZINC000820869792 587078544 /nfs/dbraw/zinc/07/85/44/587078544.db2.gz IUDRFWGIQYFKAK-VIFPVBQESA-N -1 3 248.355 3.005 20 0 BGADHM CC[C@H](C)CSc1cccc(-c2nnn[n-]2)c1 ZINC000820869792 587078542 /nfs/dbraw/zinc/07/85/42/587078542.db2.gz IUDRFWGIQYFKAK-VIFPVBQESA-N -1 3 248.355 3.005 20 0 BGADHM CC[C@@H](C)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820869982 587078380 /nfs/dbraw/zinc/07/83/80/587078380.db2.gz KKRRPJJBGWXBEL-SECBINFHSA-N -1 3 248.355 3.005 20 0 BGADHM CC[C@@H](C)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820869982 587078378 /nfs/dbraw/zinc/07/83/78/587078378.db2.gz KKRRPJJBGWXBEL-SECBINFHSA-N -1 3 248.355 3.005 20 0 BGADHM CC[C@H](C)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000820869983 587078429 /nfs/dbraw/zinc/07/84/29/587078429.db2.gz KKRRPJJBGWXBEL-VIFPVBQESA-N -1 3 248.355 3.005 20 0 BGADHM CC[C@H](C)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000820869983 587078428 /nfs/dbraw/zinc/07/84/28/587078428.db2.gz KKRRPJJBGWXBEL-VIFPVBQESA-N -1 3 248.355 3.005 20 0 BGADHM CCC[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821014986 587088405 /nfs/dbraw/zinc/08/84/05/587088405.db2.gz MTGSFEWGIPNKOP-SECBINFHSA-N -1 3 248.355 3.147 20 0 BGADHM CCC[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821014986 587088404 /nfs/dbraw/zinc/08/84/04/587088404.db2.gz MTGSFEWGIPNKOP-SECBINFHSA-N -1 3 248.355 3.147 20 0 BGADHM CCC[C@H](C)Sc1cccc(-c2nn[n-]n2)c1 ZINC000821014987 587088642 /nfs/dbraw/zinc/08/86/42/587088642.db2.gz MTGSFEWGIPNKOP-VIFPVBQESA-N -1 3 248.355 3.147 20 0 BGADHM CCC[C@H](C)Sc1cccc(-c2nnn[n-]2)c1 ZINC000821014987 587088641 /nfs/dbraw/zinc/08/86/41/587088641.db2.gz MTGSFEWGIPNKOP-VIFPVBQESA-N -1 3 248.355 3.147 20 0 BGADHM CCC[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000821015018 587088421 /nfs/dbraw/zinc/08/84/21/587088421.db2.gz MYFBWNIAKIQFIT-SECBINFHSA-N -1 3 248.355 3.147 20 0 BGADHM CCC[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000821015018 587088419 /nfs/dbraw/zinc/08/84/19/587088419.db2.gz MYFBWNIAKIQFIT-SECBINFHSA-N -1 3 248.355 3.147 20 0 BGADHM CCC[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000821015019 587088622 /nfs/dbraw/zinc/08/86/22/587088622.db2.gz MYFBWNIAKIQFIT-VIFPVBQESA-N -1 3 248.355 3.147 20 0 BGADHM CCC[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000821015019 587088621 /nfs/dbraw/zinc/08/86/21/587088621.db2.gz MYFBWNIAKIQFIT-VIFPVBQESA-N -1 3 248.355 3.147 20 0 BGADHM CCC[C@@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000821015649 587088455 /nfs/dbraw/zinc/08/84/55/587088455.db2.gz RSUKTQGDAJFTJS-SECBINFHSA-N -1 3 248.355 3.147 20 0 BGADHM CCC[C@@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000821015649 587088454 /nfs/dbraw/zinc/08/84/54/587088454.db2.gz RSUKTQGDAJFTJS-SECBINFHSA-N -1 3 248.355 3.147 20 0 BGADHM CCC[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000821015650 587088352 /nfs/dbraw/zinc/08/83/52/587088352.db2.gz RSUKTQGDAJFTJS-VIFPVBQESA-N -1 3 248.355 3.147 20 0 BGADHM CCC[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000821015650 587088351 /nfs/dbraw/zinc/08/83/51/587088351.db2.gz RSUKTQGDAJFTJS-VIFPVBQESA-N -1 3 248.355 3.147 20 0 BGADHM CCCCCSc1cccc(-c2nn[n-]n2)c1 ZINC000821060354 587091903 /nfs/dbraw/zinc/09/19/03/587091903.db2.gz BONNEVZJEWWMKF-UHFFFAOYSA-N -1 3 248.355 3.149 20 0 BGADHM CCCCCSc1cccc(-c2nnn[n-]2)c1 ZINC000821060354 587091902 /nfs/dbraw/zinc/09/19/02/587091902.db2.gz BONNEVZJEWWMKF-UHFFFAOYSA-N -1 3 248.355 3.149 20 0 BGADHM CCCCCSc1ccccc1-c1nn[n-]n1 ZINC000821061053 587092390 /nfs/dbraw/zinc/09/23/90/587092390.db2.gz LSLONIOVMZOTEI-UHFFFAOYSA-N -1 3 248.355 3.149 20 0 BGADHM CCCCCSc1ccccc1-c1nnn[n-]1 ZINC000821061053 587092389 /nfs/dbraw/zinc/09/23/89/587092389.db2.gz LSLONIOVMZOTEI-UHFFFAOYSA-N -1 3 248.355 3.149 20 0 BGADHM CC(C)(C)CC(C)(C)C(=O)[N-]OC1CCC1 ZINC000821221829 587102571 /nfs/dbraw/zinc/10/25/71/587102571.db2.gz MNISKBALMDSVFZ-UHFFFAOYSA-N -1 3 227.348 3.049 20 0 BGADHM CC1=C(C)C[C@@](C)(C(=O)[N-]OC2CCC2)CC1 ZINC000821222657 587102441 /nfs/dbraw/zinc/10/24/41/587102441.db2.gz VHWVBKMNAYYAEC-AWEZNQCLSA-N -1 3 237.343 3.113 20 0 BGADHM CC1=C(C)C[C@](C)(C(=O)[N-]OC2CCC2)CC1 ZINC000821222659 587102529 /nfs/dbraw/zinc/10/25/29/587102529.db2.gz VHWVBKMNAYYAEC-CQSZACIVSA-N -1 3 237.343 3.113 20 0 BGADHM CCC[C@@H](CC)C(=O)Nc1cccc([O-])c1F ZINC000821393672 587116077 /nfs/dbraw/zinc/11/60/77/587116077.db2.gz ABBWMJCJJFCVHO-SECBINFHSA-N -1 3 239.290 3.296 20 0 BGADHM CCC[C@H](CC)C(=O)Nc1cccc([O-])c1F ZINC000821393673 587116094 /nfs/dbraw/zinc/11/60/94/587116094.db2.gz ABBWMJCJJFCVHO-VIFPVBQESA-N -1 3 239.290 3.296 20 0 BGADHM CCC[C@@H](CC)C(=O)Nc1c(C)cccc1[O-] ZINC000821497085 587122778 /nfs/dbraw/zinc/12/27/78/587122778.db2.gz JFWHLSOAGYQPSU-LLVKDONJSA-N -1 3 235.327 3.465 20 0 BGADHM CCC[C@H](CC)C(=O)Nc1c(C)cccc1[O-] ZINC000821497086 587122654 /nfs/dbraw/zinc/12/26/54/587122654.db2.gz JFWHLSOAGYQPSU-NSHDSACASA-N -1 3 235.327 3.465 20 0 BGADHM CCC[C@@H](CC)C(=O)Nc1ccc([O-])cc1F ZINC000821779565 587137389 /nfs/dbraw/zinc/13/73/89/587137389.db2.gz YNTBTLZXBJAURX-SECBINFHSA-N -1 3 239.290 3.296 20 0 BGADHM CCC[C@H](CC)C(=O)Nc1ccc([O-])cc1F ZINC000821779566 587137391 /nfs/dbraw/zinc/13/73/91/587137391.db2.gz YNTBTLZXBJAURX-VIFPVBQESA-N -1 3 239.290 3.296 20 0 BGADHM CC(C)=C(C)CC(=O)[N-]OC1CCCCC1 ZINC000822153760 585025503 /nfs/dbraw/zinc/02/55/03/585025503.db2.gz AAGDCMBHWVRZNX-UHFFFAOYSA-N -1 3 225.332 3.113 20 0 BGADHM C[C@@H]1CCC[C@]1(C)C(=O)[N-]OCc1ccccc1 ZINC000822232491 587159169 /nfs/dbraw/zinc/15/91/69/587159169.db2.gz LIBMDZQXAPVYRM-DOMZBBRYSA-N -1 3 247.338 3.061 20 0 BGADHM C[C@@H]1CCC[C@@]1(C)C(=O)[N-]OCc1ccccc1 ZINC000822232492 587159305 /nfs/dbraw/zinc/15/93/05/587159305.db2.gz LIBMDZQXAPVYRM-IUODEOHRSA-N -1 3 247.338 3.061 20 0 BGADHM C[C@H]1CCC[C@@]1(C)C(=O)[N-]OCc1ccccc1 ZINC000822232493 587159033 /nfs/dbraw/zinc/15/90/33/587159033.db2.gz LIBMDZQXAPVYRM-SWLSCSKDSA-N -1 3 247.338 3.061 20 0 BGADHM C[C@H]1CCC[C@]1(C)C(=O)[N-]OCc1ccccc1 ZINC000822232494 587159281 /nfs/dbraw/zinc/15/92/81/587159281.db2.gz LIBMDZQXAPVYRM-WFASDCNBSA-N -1 3 247.338 3.061 20 0 BGADHM CC(C)CCCC(=O)[N-]OCc1ccccc1 ZINC000822232615 587159021 /nfs/dbraw/zinc/15/90/21/587159021.db2.gz SDBAWPKUEPAJAX-UHFFFAOYSA-N -1 3 235.327 3.061 20 0 BGADHM CCO[N-]C(=O)C1=C(c2ccccc2)CCCC1 ZINC000822341243 587163637 /nfs/dbraw/zinc/16/36/37/587163637.db2.gz AVLZAKMKMUCVIX-UHFFFAOYSA-N -1 3 245.322 3.082 20 0 BGADHM CCO[N-]C(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000822342528 587163367 /nfs/dbraw/zinc/16/33/67/587163367.db2.gz WJYPFEFSGBOKKQ-ZIAGYGMSSA-N -1 3 247.338 3.028 20 0 BGADHM CCCC[C@@](C)(F)C(=O)Nc1ccccc1[O-] ZINC000823044133 587199150 /nfs/dbraw/zinc/19/91/50/587199150.db2.gz BVIPRTJIDCXRJC-CYBMUJFWSA-N -1 3 239.290 3.249 20 0 BGADHM CCCC[C@](C)(F)C(=O)Nc1ccccc1[O-] ZINC000823044135 587199287 /nfs/dbraw/zinc/19/92/87/587199287.db2.gz BVIPRTJIDCXRJC-ZDUSSCGKSA-N -1 3 239.290 3.249 20 0 BGADHM CC(C(=O)Nc1ccc(C)cc1[O-])=C1CCC1 ZINC000823671509 587235531 /nfs/dbraw/zinc/23/55/31/587235531.db2.gz OZXTUTWKDISUQL-UHFFFAOYSA-N -1 3 231.295 3.140 20 0 BGADHM CC(C)O[N-]C(=O)Nc1ccccc1C(F)F ZINC000824435280 587270441 /nfs/dbraw/zinc/27/04/41/587270441.db2.gz RMSKCICEAQTGGI-UHFFFAOYSA-N -1 3 244.241 3.086 20 0 BGADHM CC(C)ON=C([O-])Nc1ccccc1C(F)F ZINC000824435280 587270440 /nfs/dbraw/zinc/27/04/40/587270440.db2.gz RMSKCICEAQTGGI-UHFFFAOYSA-N -1 3 244.241 3.086 20 0 BGADHM CCO[N-]C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000825255143 587311166 /nfs/dbraw/zinc/31/11/66/587311166.db2.gz YBWFQSVPGRNTPM-UHFFFAOYSA-N -1 3 246.310 3.109 20 0 BGADHM C/C(=C\CN(C)[C@H](C)c1ccc(C)cc1)C(=O)[O-] ZINC000825730164 587334275 /nfs/dbraw/zinc/33/42/75/587334275.db2.gz SAXKXRKFRYSXSJ-CNELAYHGSA-N -1 3 247.338 3.019 20 0 BGADHM C/C(=C/CN(C)[C@H](C)c1ccc(C)cc1)C(=O)[O-] ZINC000825730165 587334632 /nfs/dbraw/zinc/33/46/32/587334632.db2.gz SAXKXRKFRYSXSJ-KIWPFMIBSA-N -1 3 247.338 3.019 20 0 BGADHM C/C(=C\CN(C)[C@@H](C)c1ccc(C)cc1)C(=O)[O-] ZINC000825730166 587334126 /nfs/dbraw/zinc/33/41/26/587334126.db2.gz SAXKXRKFRYSXSJ-SRXBQZRASA-N -1 3 247.338 3.019 20 0 BGADHM C/C(=C/CN(C)[C@@H](C)c1ccc(C)cc1)C(=O)[O-] ZINC000825730168 587333920 /nfs/dbraw/zinc/33/39/20/587333920.db2.gz SAXKXRKFRYSXSJ-SUIFULHWSA-N -1 3 247.338 3.019 20 0 BGADHM CC[C@@H](C)CCNCc1c(F)ccc([O-])c1F ZINC000826919787 584896436 /nfs/dbraw/zinc/89/64/36/584896436.db2.gz ACEFPNHHNBVUIK-SECBINFHSA-N -1 3 243.297 3.196 20 0 BGADHM CC[C@H](C)CCNCc1c(F)ccc([O-])c1F ZINC000826919788 584896278 /nfs/dbraw/zinc/89/62/78/584896278.db2.gz ACEFPNHHNBVUIK-VIFPVBQESA-N -1 3 243.297 3.196 20 0 BGADHM CC/C(C)=C\C(=O)Nc1cc(Cl)ccc1[O-] ZINC000827501260 587383992 /nfs/dbraw/zinc/38/39/92/587383992.db2.gz MQZQHTCDGWAOEB-VURMDHGXSA-N -1 3 239.702 3.340 20 0 BGADHM CC/C(C)=C/C(=O)Nc1ccc(Cl)cc1[O-] ZINC000827802822 587403148 /nfs/dbraw/zinc/40/31/48/587403148.db2.gz HRXOJSONERNDIH-SOFGYWHQSA-N -1 3 239.702 3.340 20 0 BGADHM CC/C(C)=C\C(=O)Nc1ccc(Cl)cc1[O-] ZINC000827802823 587403307 /nfs/dbraw/zinc/40/33/07/587403307.db2.gz HRXOJSONERNDIH-VURMDHGXSA-N -1 3 239.702 3.340 20 0 BGADHM CC/C(C)=C\C(=O)N1CCCc2cccc([O-])c21 ZINC000828123645 587420303 /nfs/dbraw/zinc/42/03/03/587420303.db2.gz VXTAMWPBEMMUPL-KHPPLWFESA-N -1 3 245.322 3.028 20 0 BGADHM CC/C(C)=C/C(=O)N1CCCc2cccc([O-])c21 ZINC000828123648 587420007 /nfs/dbraw/zinc/42/00/07/587420007.db2.gz VXTAMWPBEMMUPL-ZHACJKMWSA-N -1 3 245.322 3.028 20 0 BGADHM CCCO[N-]C(=O)Nc1cccc2c1CCCC2 ZINC000828221888 587424832 /nfs/dbraw/zinc/42/48/32/587424832.db2.gz AZLSVOHURHAVBV-UHFFFAOYSA-N -1 3 248.326 3.029 20 0 BGADHM CCCO[N-]C(=O)Nc1c(C)cc(C)cc1C ZINC000828221897 587424825 /nfs/dbraw/zinc/42/48/25/587424825.db2.gz BHTFOLLAESMEMA-UHFFFAOYSA-N -1 3 236.315 3.075 20 0 BGADHM CCCO[N-]C(=O)Nc1ccc(C)cc1Cl ZINC000828221900 587424993 /nfs/dbraw/zinc/42/49/93/587424993.db2.gz BMOXBPGCMFFORC-UHFFFAOYSA-N -1 3 242.706 3.112 20 0 BGADHM CCCO[N-]C(=O)Nc1ccc(C(C)C)cc1 ZINC000828221932 587425338 /nfs/dbraw/zinc/42/53/38/587425338.db2.gz CYHVOOWNDJGOMX-UHFFFAOYSA-N -1 3 236.315 3.273 20 0 BGADHM CCCO[N-]C(=O)Nc1ccccc1C(C)C ZINC000828222082 587425428 /nfs/dbraw/zinc/42/54/28/587425428.db2.gz LGWTYAZZBUAXGM-UHFFFAOYSA-N -1 3 236.315 3.273 20 0 BGADHM CCCO[N-]C(=O)Nc1cc(Cl)ccc1C ZINC000828222094 587425346 /nfs/dbraw/zinc/42/53/46/587425346.db2.gz LZEDCBWZIPWEOY-UHFFFAOYSA-N -1 3 242.706 3.112 20 0 BGADHM CCCO[N-]C(=O)Nc1cccc(Cl)c1C ZINC000828222270 587424803 /nfs/dbraw/zinc/42/48/03/587424803.db2.gz SXVAQRVEIUANJT-UHFFFAOYSA-N -1 3 242.706 3.112 20 0 BGADHM CCCO[N-]C(=O)Nc1ccc(Cl)cc1C ZINC000828222277 587425477 /nfs/dbraw/zinc/42/54/77/587425477.db2.gz TWZSGGCQWXUSAU-UHFFFAOYSA-N -1 3 242.706 3.112 20 0 BGADHM CCCO[N-]C(=O)Nc1c(C)cccc1CC ZINC000828222309 587425301 /nfs/dbraw/zinc/42/53/01/587425301.db2.gz VJPDQWMKJSRDGY-UHFFFAOYSA-N -1 3 236.315 3.021 20 0 BGADHM CCCO[N-]C(=O)Nc1ccc(C)c(Cl)c1 ZINC000828222319 587425265 /nfs/dbraw/zinc/42/52/65/587425265.db2.gz VTGLOICGHHTLPY-UHFFFAOYSA-N -1 3 242.706 3.112 20 0 BGADHM 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/nfs/dbraw/zinc/00/49/46/588004946.db2.gz NOZXBSHGAQKJGT-SNVBAGLBSA-N -1 3 240.372 3.158 20 0 BGADHM C/C=C(/C)COC(=O)c1cc2ccsc2[n-]1 ZINC000842851023 588069931 /nfs/dbraw/zinc/06/99/31/588069931.db2.gz BTDGSSKKTQYTGQ-BAQGIRSFSA-N -1 3 235.308 3.352 20 0 BGADHM C/C=C(\C)COC(=O)c1cc2ccsc2[n-]1 ZINC000842851025 588070175 /nfs/dbraw/zinc/07/01/75/588070175.db2.gz BTDGSSKKTQYTGQ-FPYGCLRLSA-N -1 3 235.308 3.352 20 0 BGADHM Cc1ccc(NC(=O)/C=C\C2CCCC2)c([O-])c1 ZINC000843752682 588137511 /nfs/dbraw/zinc/13/75/11/588137511.db2.gz ADYWMVZMESCUKM-CLFYSBASSA-N -1 3 245.322 3.386 20 0 BGADHM CCCc1ccc(CCCC(=O)[N-]OCC)cc1 ZINC000843761280 588137817 /nfs/dbraw/zinc/13/78/17/588137817.db2.gz IXIBOBDQKMMQFM-UHFFFAOYSA-N -1 3 249.354 3.030 20 0 BGADHM O=C(/C=C/C1CCCC1)Nc1cc(F)ccc1[O-] ZINC000843842874 588144250 /nfs/dbraw/zinc/14/42/50/588144250.db2.gz NHFYGIKVNAETLL-VMPITWQZSA-N -1 3 249.285 3.216 20 0 BGADHM O=C(/C=C\C1CCCC1)Nc1cc(F)ccc1[O-] ZINC000843842875 588144109 /nfs/dbraw/zinc/14/41/09/588144109.db2.gz NHFYGIKVNAETLL-YVMONPNESA-N -1 3 249.285 3.216 20 0 BGADHM CC(C)=CCC[C@H](C)CC(=O)[N-]OCC(F)F ZINC000843854568 588145356 /nfs/dbraw/zinc/14/53/56/588145356.db2.gz STROBSWDFZZYRF-JTQLQIEISA-N -1 3 249.301 3.072 20 0 BGADHM CC(C)=CCC[C@@H](C)CC(=O)[N-]OCC(F)F ZINC000843854569 588145519 /nfs/dbraw/zinc/14/55/19/588145519.db2.gz STROBSWDFZZYRF-SNVBAGLBSA-N -1 3 249.301 3.072 20 0 BGADHM CC(C)=CCC[C@@H](C)CC(=O)[N-]OCC1CC1 ZINC000843892793 588147992 /nfs/dbraw/zinc/14/79/92/588147992.db2.gz HFSSUTVIEWDNGD-GFCCVEGCSA-N -1 3 239.359 3.217 20 0 BGADHM CC(C)=CCC[C@H](C)CC(=O)[N-]OCC1CC1 ZINC000843892794 588148281 /nfs/dbraw/zinc/14/82/81/588148281.db2.gz HFSSUTVIEWDNGD-LBPRGKRZSA-N -1 3 239.359 3.217 20 0 BGADHM CC(C)=CCC[C@@H](C)CC(=O)[N-]OC1CCC1 ZINC000843899948 588149241 /nfs/dbraw/zinc/14/92/41/588149241.db2.gz QFFBSIFGQIMTBT-GFCCVEGCSA-N -1 3 239.359 3.359 20 0 BGADHM CC(C)=CCC[C@H](C)CC(=O)[N-]OC1CCC1 ZINC000843899950 588149041 /nfs/dbraw/zinc/14/90/41/588149041.db2.gz QFFBSIFGQIMTBT-LBPRGKRZSA-N -1 3 239.359 3.359 20 0 BGADHM CCCO[N-]C(=O)CCc1ccc(C(C)C)cc1 ZINC000844082565 588162230 /nfs/dbraw/zinc/16/22/30/588162230.db2.gz KJXITJRACLHZDM-UHFFFAOYSA-N -1 3 249.354 3.200 20 0 BGADHM CCCO[N-]C(=O)CCCCc1ccc(C)cc1 ZINC000844084406 588163105 /nfs/dbraw/zinc/16/31/05/588163105.db2.gz OMJURZFNVHCQPV-UHFFFAOYSA-N -1 3 249.354 3.166 20 0 BGADHM CCCO[N-]C(=O)C[C@@H](CC)c1ccccc1 ZINC000844084495 582568923 /nfs/dbraw/zinc/56/89/23/582568923.db2.gz SMHUCNUAPZBMHP-GFCCVEGCSA-N -1 3 235.327 3.028 20 0 BGADHM CCCO[N-]C(=O)C[C@H](CC)c1ccccc1 ZINC000844084496 582568629 /nfs/dbraw/zinc/56/86/29/582568629.db2.gz SMHUCNUAPZBMHP-LBPRGKRZSA-N -1 3 235.327 3.028 20 0 BGADHM CCCO[N-]C(=O)C[C@H](c1ccccc1)C(C)C ZINC000844084685 582569181 /nfs/dbraw/zinc/56/91/81/582569181.db2.gz XJTXZTSTWGUTPW-AWEZNQCLSA-N -1 3 249.354 3.274 20 0 BGADHM CCCO[N-]C(=O)C[C@@H](c1ccccc1)C(C)C ZINC000844084686 582569031 /nfs/dbraw/zinc/56/90/31/582569031.db2.gz XJTXZTSTWGUTPW-CQSZACIVSA-N -1 3 249.354 3.274 20 0 BGADHM CCCO[N-]C(=O)C[C@@H](C)C1CCCCC1 ZINC000844084727 588163387 /nfs/dbraw/zinc/16/33/87/588163387.db2.gz ZMIHPTRFFOYKLA-LLVKDONJSA-N -1 3 227.348 3.051 20 0 BGADHM CCCO[N-]C(=O)C[C@H](C)C1CCCCC1 ZINC000844084728 588163065 /nfs/dbraw/zinc/16/30/65/588163065.db2.gz ZMIHPTRFFOYKLA-NSHDSACASA-N -1 3 227.348 3.051 20 0 BGADHM CCCCC[C@@H](C)CC(=O)[N-]OCCC ZINC000844084835 588163091 /nfs/dbraw/zinc/16/30/91/588163091.db2.gz HGYLXVXJYFIVDV-LLVKDONJSA-N -1 3 215.337 3.051 20 0 BGADHM CCCCC[C@H](C)CC(=O)[N-]OCCC ZINC000844084836 588163163 /nfs/dbraw/zinc/16/31/63/588163163.db2.gz HGYLXVXJYFIVDV-NSHDSACASA-N -1 3 215.337 3.051 20 0 BGADHM CCCCCC(C)(C)C(=O)[N-]OCCC ZINC000844084850 588163030 /nfs/dbraw/zinc/16/30/30/588163030.db2.gz HZUQQJSZHHNZNK-UHFFFAOYSA-N -1 3 215.337 3.051 20 0 BGADHM CCCO[N-]C(=O)C(C)(C)C1CCCCC1 ZINC000844084943 582568600 /nfs/dbraw/zinc/56/86/00/582568600.db2.gz FTEFZMGOPLKKBT-UHFFFAOYSA-N -1 3 227.348 3.051 20 0 BGADHM CCCO[N-]C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC000844085418 582569472 /nfs/dbraw/zinc/56/94/72/582569472.db2.gz CAIVGELXVZLELO-GFCCVEGCSA-N -1 3 249.354 3.200 20 0 BGADHM CCCO[N-]C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC000844085423 582569796 /nfs/dbraw/zinc/56/97/96/582569796.db2.gz CAIVGELXVZLELO-LBPRGKRZSA-N -1 3 249.354 3.200 20 0 BGADHM CCCO[N-]C(=O)CCCCCC(C)C ZINC000844085583 588163694 /nfs/dbraw/zinc/16/36/94/588163694.db2.gz QZZNLIFOEGIVCI-UHFFFAOYSA-N -1 3 215.337 3.051 20 0 BGADHM CCCC[C@@H](CC)CC(=O)[N-]OCCC ZINC000844085596 588163945 /nfs/dbraw/zinc/16/39/45/588163945.db2.gz FBPDJAFMRXFWCU-LLVKDONJSA-N -1 3 215.337 3.051 20 0 BGADHM CCCC[C@H](CC)CC(=O)[N-]OCCC ZINC000844085597 588163909 /nfs/dbraw/zinc/16/39/09/588163909.db2.gz FBPDJAFMRXFWCU-NSHDSACASA-N -1 3 215.337 3.051 20 0 BGADHM CCCO[N-]C(=O)C[C@H]1CCCCC1(C)C ZINC000844085685 588163697 /nfs/dbraw/zinc/16/36/97/588163697.db2.gz JOANEONYRVDKDJ-LLVKDONJSA-N -1 3 227.348 3.051 20 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CCCO[N-]C(=O)CC[C@H](C)c1ccccc1 ZINC000844086170 588164306 /nfs/dbraw/zinc/16/43/06/588164306.db2.gz NUJCUYZCPWOVLR-LBPRGKRZSA-N -1 3 235.327 3.028 20 0 BGADHM CCCO[N-]C(=O)CCC(C)(C)c1ccccc1 ZINC000844086185 588164143 /nfs/dbraw/zinc/16/41/43/588164143.db2.gz OOPJUYILPDGWMB-UHFFFAOYSA-N -1 3 249.354 3.202 20 0 BGADHM CCCO[N-]C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000844086657 588164444 /nfs/dbraw/zinc/16/44/44/588164444.db2.gz XHQBQVXMWBVIME-LLVKDONJSA-N -1 3 227.348 3.051 20 0 BGADHM CCCO[N-]C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000844086658 582569705 /nfs/dbraw/zinc/56/97/05/582569705.db2.gz XHQBQVXMWBVIME-NSHDSACASA-N -1 3 227.348 3.051 20 0 BGADHM CCCO[N-]C(=O)CC1CCC(C)(C)CC1 ZINC000844086674 588164237 /nfs/dbraw/zinc/16/42/37/588164237.db2.gz YCKBSUNLDPSNHB-UHFFFAOYSA-N -1 3 227.348 3.051 20 0 BGADHM CCCCCC[C@@H](C)C(=O)[N-]OCCC ZINC000844087172 588164682 /nfs/dbraw/zinc/16/46/82/588164682.db2.gz XWJQTCZFUPTIFT-LLVKDONJSA-N -1 3 215.337 3.051 20 0 BGADHM CCCCCC[C@H](C)C(=O)[N-]OCCC ZINC000844087173 582569834 /nfs/dbraw/zinc/56/98/34/582569834.db2.gz XWJQTCZFUPTIFT-NSHDSACASA-N -1 3 215.337 3.051 20 0 BGADHM CCCO[N-]C(=O)CCCC[C@H](C)CC ZINC000844087638 643383167 /nfs/dbraw/zinc/38/31/67/643383167.db2.gz AIBMFQTUIBSEMB-LLVKDONJSA-N -1 3 215.337 3.051 20 0 BGADHM CCCO[N-]C(=O)CCCC[C@@H](C)CC ZINC000844087639 643383812 /nfs/dbraw/zinc/38/38/12/643383812.db2.gz AIBMFQTUIBSEMB-NSHDSACASA-N -1 3 215.337 3.051 20 0 BGADHM CCCO[N-]C(=O)CC1CC(c2ccccc2)C1 ZINC000844087817 582570843 /nfs/dbraw/zinc/57/08/43/582570843.db2.gz DOURJELTQCJHCV-UHFFFAOYSA-N -1 3 247.338 3.028 20 0 BGADHM CCCO[N-]C(=O)CCCCC(C)(C)C ZINC000844087841 588165195 /nfs/dbraw/zinc/16/51/95/588165195.db2.gz FRICSEUOQOGAFI-UHFFFAOYSA-N -1 3 215.337 3.051 20 0 BGADHM CCCO[N-]C(=O)C[C@H](C)CCC=C(C)C ZINC000844089673 588166305 /nfs/dbraw/zinc/16/63/05/588166305.db2.gz XJFTZTPFOJMETN-GFCCVEGCSA-N -1 3 227.348 3.217 20 0 BGADHM CCCO[N-]C(=O)C[C@@H](C)CCC=C(C)C ZINC000844089674 588166139 /nfs/dbraw/zinc/16/61/39/588166139.db2.gz XJFTZTPFOJMETN-LBPRGKRZSA-N -1 3 227.348 3.217 20 0 BGADHM CCCO[N-]C(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC000844090691 588166640 /nfs/dbraw/zinc/16/66/40/588166640.db2.gz YKKFUJYTIOZLHW-KBPBESRZSA-N -1 3 247.338 3.028 20 0 BGADHM CCCO[N-]C(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000844090692 588166780 /nfs/dbraw/zinc/16/67/80/588166780.db2.gz YKKFUJYTIOZLHW-KGLIPLIRSA-N -1 3 247.338 3.028 20 0 BGADHM CCCO[N-]C(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000844090694 588166593 /nfs/dbraw/zinc/16/65/93/588166593.db2.gz YKKFUJYTIOZLHW-UONOGXRCSA-N -1 3 247.338 3.028 20 0 BGADHM CCCO[N-]C(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000844090695 588166714 /nfs/dbraw/zinc/16/67/14/588166714.db2.gz YKKFUJYTIOZLHW-ZIAGYGMSSA-N -1 3 247.338 3.028 20 0 BGADHM CCO[N-]C(=O)Nc1ccc2c(c1)CCCCC2 ZINC000844803242 588217419 /nfs/dbraw/zinc/21/74/19/588217419.db2.gz RAKUKZAXLGXOGC-UHFFFAOYSA-N -1 3 248.326 3.029 20 0 BGADHM CCCC(C)(C)C(=O)[N-]OCc1ccccc1 ZINC000845103721 588221543 /nfs/dbraw/zinc/22/15/43/588221543.db2.gz SZDLOIADYJZBSS-UHFFFAOYSA-N -1 3 235.327 3.061 20 0 BGADHM CCCC(C)(C)C(=O)[N-]OC1CCCCC1 ZINC000845960027 588251776 /nfs/dbraw/zinc/25/17/76/588251776.db2.gz GCSJCIYEDLJINC-UHFFFAOYSA-N -1 3 227.348 3.193 20 0 BGADHM CC[C@H]([N-]C(=O)C(C)(F)F)c1ccccc1F ZINC000846432217 588266131 /nfs/dbraw/zinc/26/61/31/588266131.db2.gz NVHGDJYCLBWYRW-JTQLQIEISA-N -1 3 245.244 3.048 20 0 BGADHM Cc1cc(NC(=O)[N-]OC(C)C)ccc1Cl ZINC000847252981 588309998 /nfs/dbraw/zinc/30/99/98/588309998.db2.gz PETWXXPRXRDLGB-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM Cc1cc(NC([O-])=NOC(C)C)ccc1Cl ZINC000847252981 588309997 /nfs/dbraw/zinc/30/99/97/588309997.db2.gz PETWXXPRXRDLGB-UHFFFAOYSA-N -1 3 242.706 3.110 20 0 BGADHM CCCO[N-]C(=O)Nc1ccc(Cl)c(C)c1 ZINC000847253136 588309766 /nfs/dbraw/zinc/30/97/66/588309766.db2.gz VFMXURWVKWEFGO-UHFFFAOYSA-N -1 3 242.706 3.112 20 0 BGADHM C[Si](C)(C)CCCC(=O)[N-]OC1CCCC1 ZINC000847661678 588324386 /nfs/dbraw/zinc/32/43/86/588324386.db2.gz GCUUJSGVTBGGKL-UHFFFAOYSA-N -1 3 243.423 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PJIAPJBBQLXCBG-UHFFFAOYSA-N -1 3 248.282 3.142 20 0 BGADHM CC(C)O[N-]C(=O)CC(C1CCC1)C1CCC1 ZINC000861878840 589181304 /nfs/dbraw/zinc/18/13/04/589181304.db2.gz ATCXYOCNIOQSIY-UHFFFAOYSA-N -1 3 239.359 3.049 20 0 BGADHM CCCO[N-]C(=O)CC(C1CCC1)C1CCC1 ZINC000862104477 589191830 /nfs/dbraw/zinc/19/18/30/589191830.db2.gz YNWOABVUURPSGH-UHFFFAOYSA-N -1 3 239.359 3.051 20 0 BGADHM C[C@H]1C[C@H]1CO[N-]C(=O)CCC1CCCCC1 ZINC000863456992 589289331 /nfs/dbraw/zinc/28/93/31/589289331.db2.gz PHBZURSBVOESHD-AAEUAGOBSA-N -1 3 239.359 3.051 20 0 BGADHM C[C@@H]1C[C@@H]1CO[N-]C(=O)CCC1CCCCC1 ZINC000863456993 589289618 /nfs/dbraw/zinc/28/96/18/589289618.db2.gz PHBZURSBVOESHD-DGCLKSJQSA-N -1 3 239.359 3.051 20 0 BGADHM C[C@H]1C[C@@H]1CO[N-]C(=O)CCC1CCCCC1 ZINC000863457174 589289587 /nfs/dbraw/zinc/28/95/87/589289587.db2.gz PHBZURSBVOESHD-WCQYABFASA-N -1 3 239.359 3.051 20 0 BGADHM C[C@@H]1C[C@H]1CO[N-]C(=O)CCC1CCCCC1 ZINC000863457175 589289616 /nfs/dbraw/zinc/28/96/16/589289616.db2.gz PHBZURSBVOESHD-YPMHNXCESA-N -1 3 239.359 3.051 20 0 BGADHM CC(C)CCc1nnc([N-]c2ccccc2)o1 ZINC000863980087 589332227 /nfs/dbraw/zinc/33/22/27/589332227.db2.gz ABUCMIHSXXYPJR-UHFFFAOYSA-N -1 3 231.299 3.402 20 0 BGADHM CC[C@@H](C)c1nnc([N-]c2ccccc2)o1 ZINC000863980106 589332309 /nfs/dbraw/zinc/33/23/09/589332309.db2.gz APVOJCVMVYCXQY-SECBINFHSA-N -1 3 217.272 3.327 20 0 BGADHM CC[C@H](C)c1nnc([N-]c2ccccc2)o1 ZINC000863980107 589332361 /nfs/dbraw/zinc/33/23/61/589332361.db2.gz APVOJCVMVYCXQY-VIFPVBQESA-N -1 3 217.272 3.327 20 0 BGADHM CC(C)Cc1nnc([N-]c2ccccc2)o1 ZINC000863980110 589332287 /nfs/dbraw/zinc/33/22/87/589332287.db2.gz AQJYCCJHCSPEEE-UHFFFAOYSA-N -1 3 217.272 3.012 20 0 BGADHM CC(C)c1nnc([N-]c2cccc(F)c2)o1 ZINC000863980373 589332371 /nfs/dbraw/zinc/33/23/71/589332371.db2.gz HXPOWJKQMYWQQO-UHFFFAOYSA-N -1 3 221.235 3.076 20 0 BGADHM CC(C)Cc1nnc([N-]c2cccc(F)c2)o1 ZINC000863980506 589332326 /nfs/dbraw/zinc/33/23/26/589332326.db2.gz JPNQMQGCICTJLR-UHFFFAOYSA-N -1 3 235.262 3.151 20 0 BGADHM CC(C)(C)Cc1nnc([N-]c2ccccc2)o1 ZINC000863980507 589332301 /nfs/dbraw/zinc/33/23/01/589332301.db2.gz JRDRXFFBSZGNHU-UHFFFAOYSA-N -1 3 231.299 3.402 20 0 BGADHM CC[C@@H](C)c1nnc([N-]c2cccc(F)c2)o1 ZINC000863980722 589332313 /nfs/dbraw/zinc/33/23/13/589332313.db2.gz NIHBAVPIFQUAMM-MRVPVSSYSA-N -1 3 235.262 3.466 20 0 BGADHM CC[C@H](C)c1nnc([N-]c2cccc(F)c2)o1 ZINC000863980723 589332267 /nfs/dbraw/zinc/33/22/67/589332267.db2.gz NIHBAVPIFQUAMM-QMMMGPOBSA-N -1 3 235.262 3.466 20 0 BGADHM CC(C)(C)c1nnc([N-]c2cccc(F)c2)o1 ZINC000863980985 589332509 /nfs/dbraw/zinc/33/25/09/589332509.db2.gz SMXQGXKYVBRNQG-UHFFFAOYSA-N -1 3 235.262 3.250 20 0 BGADHM c1ccc([N-]c2nnc(C3CCC3)o2)cc1 ZINC000863981250 589332886 /nfs/dbraw/zinc/33/28/86/589332886.db2.gz XRGUXNPJNVJRSM-UHFFFAOYSA-N -1 3 215.256 3.081 20 0 BGADHM c1ccc([N-]c2nnc(C3CCCC3)o2)cc1 ZINC000863981277 589332645 /nfs/dbraw/zinc/33/26/45/589332645.db2.gz YMWQGJLMTJUGOC-UHFFFAOYSA-N -1 3 229.283 3.471 20 0 BGADHM Fc1cccc([N-]c2nnc(C3CCC3)o2)c1 ZINC000863981321 583998622 /nfs/dbraw/zinc/99/86/22/583998622.db2.gz ZPPWFJXHSJPLMD-UHFFFAOYSA-N -1 3 233.246 3.220 20 0 BGADHM C[C@H](C[S@](=O)c1ccc([O-])cc1)C(C)(C)C ZINC000864472539 589373422 /nfs/dbraw/zinc/37/34/22/589373422.db2.gz RCWGRFPNRBLMHK-HWPZZCPQSA-N -1 3 240.368 3.182 20 0 BGADHM C[C@@H](C[S@@](=O)c1ccc([O-])cc1)C(C)(C)C ZINC000864472541 589373216 /nfs/dbraw/zinc/37/32/16/589373216.db2.gz RCWGRFPNRBLMHK-MGPLVRAMSA-N -1 3 240.368 3.182 20 0 BGADHM C[C@@H](C[S@](=O)c1ccc([O-])cc1)C(C)(C)C ZINC000864472542 589373507 /nfs/dbraw/zinc/37/35/07/589373507.db2.gz RCWGRFPNRBLMHK-QFYYESIMSA-N -1 3 240.368 3.182 20 0 BGADHM C[C@H](C[S@@](=O)c1ccc([O-])cc1)C(C)(C)C ZINC000864472543 589373336 /nfs/dbraw/zinc/37/33/36/589373336.db2.gz RCWGRFPNRBLMHK-QLJPJBMISA-N -1 3 240.368 3.182 20 0 BGADHM C[C@H](C[S@](=O)c1cccc([O-])c1)C(C)(C)C ZINC000864476559 589373662 /nfs/dbraw/zinc/37/36/62/589373662.db2.gz OWUCXTAHURBADF-HWPZZCPQSA-N -1 3 240.368 3.182 20 0 BGADHM C[C@@H](C[S@@](=O)c1cccc([O-])c1)C(C)(C)C ZINC000864476560 589373885 /nfs/dbraw/zinc/37/38/85/589373885.db2.gz OWUCXTAHURBADF-MGPLVRAMSA-N -1 3 240.368 3.182 20 0 BGADHM C[C@@H](C[S@](=O)c1cccc([O-])c1)C(C)(C)C ZINC000864476561 589373832 /nfs/dbraw/zinc/37/38/32/589373832.db2.gz OWUCXTAHURBADF-QFYYESIMSA-N -1 3 240.368 3.182 20 0 BGADHM C[C@H](C[S@@](=O)c1cccc([O-])c1)C(C)(C)C ZINC000864476562 589373622 /nfs/dbraw/zinc/37/36/22/589373622.db2.gz OWUCXTAHURBADF-QLJPJBMISA-N -1 3 240.368 3.182 20 0 BGADHM CC(C)c1csc(-c2ccc(=O)[n-]c2F)n1 ZINC000864541604 589377431 /nfs/dbraw/zinc/37/74/31/589377431.db2.gz SWWABBWKRBLKIB-UHFFFAOYSA-N -1 3 238.287 3.173 20 0 BGADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1ccccc1[O-] ZINC000864961690 589402639 /nfs/dbraw/zinc/40/26/39/589402639.db2.gz CWQBRMRNRWYUGS-NXEZZACHSA-N -1 3 233.311 3.013 20 0 BGADHM O=C(Nc1cc(F)ccc1[O-])[C@@]12C[C@@H]1CCCC2 ZINC000867006221 585098333 /nfs/dbraw/zinc/09/83/33/585098333.db2.gz FDGQJZAHANOVBS-XPTSAGLGSA-N -1 3 249.285 3.050 20 0 BGADHM O=C(Nc1cc(F)ccc1[O-])[C@]12C[C@H]1CCCC2 ZINC000867006222 585098480 /nfs/dbraw/zinc/09/84/80/585098480.db2.gz FDGQJZAHANOVBS-YMTOWFKASA-N -1 3 249.285 3.050 20 0 BGADHM O=C(Nc1cccc([O-])c1F)[C@@]12C[C@@H]1CCCC2 ZINC000867059573 587477543 /nfs/dbraw/zinc/47/75/43/587477543.db2.gz XOWNKMSJQZAAOU-XPTSAGLGSA-N -1 3 249.285 3.050 20 0 BGADHM O=C(Nc1cccc([O-])c1F)[C@]12C[C@H]1CCCC2 ZINC000867059574 587477451 /nfs/dbraw/zinc/47/74/51/587477451.db2.gz XOWNKMSJQZAAOU-YMTOWFKASA-N -1 3 249.285 3.050 20 0 BGADHM CC[C@@H](CC(=O)[N-]OC1CCC1)C(C)(C)C ZINC000868659756 589570812 /nfs/dbraw/zinc/57/08/12/589570812.db2.gz IWIUNGFMEGRDMB-JTQLQIEISA-N -1 3 227.348 3.049 20 0 BGADHM CC[C@H](CC(=O)[N-]OC1CCC1)C(C)(C)C ZINC000868659757 589571178 /nfs/dbraw/zinc/57/11/78/589571178.db2.gz IWIUNGFMEGRDMB-SNVBAGLBSA-N -1 3 227.348 3.049 20 0 BGADHM CC(=O)[N-]OCc1c(C)ccc2cc(C)ccc21 ZINC000871729344 589799519 /nfs/dbraw/zinc/79/95/19/589799519.db2.gz KZZIFLZVLQKSDN-UHFFFAOYSA-N -1 3 243.306 3.024 20 0 BGADHM CC(C)(C)CC(=O)[N-]OCC1CC2(CCC2)C1 ZINC000871752583 589806062 /nfs/dbraw/zinc/80/60/62/589806062.db2.gz AWPZYJSCIYKNMI-UHFFFAOYSA-N -1 3 239.359 3.051 20 0 BGADHM c1cc2[n-]c(-c3nc(C4CCC4)no3)cc2o1 ZINC000872015284 589856286 /nfs/dbraw/zinc/85/62/86/589856286.db2.gz KSPAXOPYMSVGGX-UHFFFAOYSA-N -1 3 229.239 3.078 20 0 BGADHM Cc1occc1CN[C@H](C)c1cccc([O-])c1F ZINC000872027456 589857897 /nfs/dbraw/zinc/85/78/97/589857897.db2.gz JVIUPRIWPPWSBB-SECBINFHSA-N -1 3 249.285 3.284 20 0 BGADHM Cc1occc1CN[C@@H](C)c1cccc([O-])c1F ZINC000872027459 589857690 /nfs/dbraw/zinc/85/76/90/589857690.db2.gz JVIUPRIWPPWSBB-VIFPVBQESA-N -1 3 249.285 3.284 20 0 BGADHM C[C@@H](N[C@H](C)c1cccc([O-])c1F)c1ccc[nH]1 ZINC000872053302 589861558 /nfs/dbraw/zinc/86/15/58/589861558.db2.gz XCMFFBAMQSJXGD-NXEZZACHSA-N -1 3 248.301 3.271 20 0 BGADHM C[C@H](N[C@@H](C)c1cccc([O-])c1F)c1ccc[nH]1 ZINC000872053304 589861170 /nfs/dbraw/zinc/86/11/70/589861170.db2.gz XCMFFBAMQSJXGD-UWVGGRQHSA-N -1 3 248.301 3.271 20 0 BGADHM C[C@@H](N[C@@H](C)c1cccc([O-])c1F)c1ccc[nH]1 ZINC000872053306 589861182 /nfs/dbraw/zinc/86/11/82/589861182.db2.gz XCMFFBAMQSJXGD-VHSXEESVSA-N -1 3 248.301 3.271 20 0 BGADHM C[C@@H](N[C@@H](C)c1ccc[nH]1)c1cccc([O-])c1F ZINC000872053307 589861066 /nfs/dbraw/zinc/86/10/66/589861066.db2.gz XCMFFBAMQSJXGD-ZJUUUORDSA-N -1 3 248.301 3.271 20 0 BGADHM CC(C)=CCN[C@@H](C)c1cccc([O-])c1F ZINC000872067588 589863665 /nfs/dbraw/zinc/86/36/65/589863665.db2.gz ZKPGTRUXMZHYMX-JTQLQIEISA-N -1 3 223.291 3.148 20 0 BGADHM CC(C)=CCN[C@H](C)c1cccc([O-])c1F ZINC000872067589 589863420 /nfs/dbraw/zinc/86/34/20/589863420.db2.gz ZKPGTRUXMZHYMX-SNVBAGLBSA-N -1 3 223.291 3.148 20 0 BGADHM Cc1ccoc1CN[C@@H](C)c1cccc([O-])c1F ZINC000872072033 589864039 /nfs/dbraw/zinc/86/40/39/589864039.db2.gz CFZDGPVMZZWULL-JTQLQIEISA-N -1 3 249.285 3.284 20 0 BGADHM Cc1ccoc1CN[C@H](C)c1cccc([O-])c1F ZINC000872072034 589864202 /nfs/dbraw/zinc/86/42/02/589864202.db2.gz CFZDGPVMZZWULL-SNVBAGLBSA-N -1 3 249.285 3.284 20 0 BGADHM C[C@@H](NCCC(C)(F)F)c1cccc([O-])c1F ZINC000872072105 589864225 /nfs/dbraw/zinc/86/42/25/589864225.db2.gz DZXRTYJBEFKXDN-MRVPVSSYSA-N -1 3 247.260 3.227 20 0 BGADHM C[C@H](NCCC(C)(F)F)c1cccc([O-])c1F ZINC000872072106 589863888 /nfs/dbraw/zinc/86/38/88/589863888.db2.gz DZXRTYJBEFKXDN-QMMMGPOBSA-N -1 3 247.260 3.227 20 0 BGADHM CC/C=C\CN[C@@H](C)c1cccc([O-])c1F ZINC000872076287 589865829 /nfs/dbraw/zinc/86/58/29/589865829.db2.gz YULXPMRUWAGLQN-LWTINBJPSA-N -1 3 223.291 3.148 20 0 BGADHM CC/C=C/CN[C@H](C)c1cccc([O-])c1F ZINC000872076288 589865381 /nfs/dbraw/zinc/86/53/81/589865381.db2.gz YULXPMRUWAGLQN-ORAHPGNNSA-N -1 3 223.291 3.148 20 0 BGADHM CC/C=C\CN[C@H](C)c1cccc([O-])c1F ZINC000872076289 589865771 /nfs/dbraw/zinc/86/57/71/589865771.db2.gz YULXPMRUWAGLQN-UMCURTJPSA-N -1 3 223.291 3.148 20 0 BGADHM CC/C=C/CN[C@@H](C)c1cccc([O-])c1F ZINC000872076290 589865688 /nfs/dbraw/zinc/86/56/88/589865688.db2.gz YULXPMRUWAGLQN-YEZKRMTDSA-N -1 3 223.291 3.148 20 0 BGADHM C[C@H](NCC1=CCCC1)c1cccc([O-])c1F ZINC000872089359 589867760 /nfs/dbraw/zinc/86/77/60/589867760.db2.gz XRYKEOXDWFBLIQ-JTQLQIEISA-N -1 3 235.302 3.292 20 0 BGADHM C[C@@H](NCC1=CCCC1)c1cccc([O-])c1F ZINC000872089360 589867922 /nfs/dbraw/zinc/86/79/22/589867922.db2.gz XRYKEOXDWFBLIQ-SNVBAGLBSA-N -1 3 235.302 3.292 20 0 BGADHM Cc1ccc(CN[C@@H](C)c2cccc([O-])c2F)o1 ZINC000872090346 589868210 /nfs/dbraw/zinc/86/82/10/589868210.db2.gz BCYOHTIASAYDSD-JTQLQIEISA-N -1 3 249.285 3.284 20 0 BGADHM Cc1ccc(CN[C@H](C)c2cccc([O-])c2F)o1 ZINC000872090347 589868175 /nfs/dbraw/zinc/86/81/75/589868175.db2.gz BCYOHTIASAYDSD-SNVBAGLBSA-N -1 3 249.285 3.284 20 0 BGADHM CCC(F)(F)CN[C@H](C)c1cccc([O-])c1F ZINC000872091010 589868234 /nfs/dbraw/zinc/86/82/34/589868234.db2.gz UXRUBZJINPDAEA-MRVPVSSYSA-N -1 3 247.260 3.227 20 0 BGADHM CCC(F)(F)CN[C@@H](C)c1cccc([O-])c1F ZINC000872091012 589868462 /nfs/dbraw/zinc/86/84/62/589868462.db2.gz UXRUBZJINPDAEA-QMMMGPOBSA-N -1 3 247.260 3.227 20 0 BGADHM O=c1[n-]nc(Cl)cc1SC1CCCCC1 ZINC000872387953 589930731 /nfs/dbraw/zinc/93/07/31/589930731.db2.gz VCQVHAUJXHDSHO-UHFFFAOYSA-N -1 3 244.747 3.260 20 0 BGADHM CC(C)CC[C@@H](C)Nc1cc(Cl)n[n-]c1=O ZINC000872421997 589938614 /nfs/dbraw/zinc/93/86/14/589938614.db2.gz CMBRCBQSWIZIGD-MRVPVSSYSA-N -1 3 243.738 3.072 20 0 BGADHM CC(C)CC[C@H](C)Nc1cc(Cl)n[n-]c1=O ZINC000872421998 589938373 /nfs/dbraw/zinc/93/83/73/589938373.db2.gz CMBRCBQSWIZIGD-QMMMGPOBSA-N -1 3 243.738 3.072 20 0 BGADHM CCCCC[C@@H](C)Nc1cc(Cl)n[n-]c1=O ZINC000872422826 589938594 /nfs/dbraw/zinc/93/85/94/589938594.db2.gz VSDRBJABWMFTLW-MRVPVSSYSA-N -1 3 243.738 3.216 20 0 BGADHM CCCCC[C@H](C)Nc1cc(Cl)n[n-]c1=O ZINC000872422827 589938397 /nfs/dbraw/zinc/93/83/97/589938397.db2.gz VSDRBJABWMFTLW-QMMMGPOBSA-N -1 3 243.738 3.216 20 0 BGADHM CCC(CC)Sc1cc(Cl)n[n-]c1=O ZINC000872437505 589938762 /nfs/dbraw/zinc/93/87/62/589938762.db2.gz DXQDHGHUECRASZ-UHFFFAOYSA-N -1 3 232.736 3.116 20 0 BGADHM CC(C)(C)CCCNc1cc(Cl)n[n-]c1=O ZINC000872460228 589941347 /nfs/dbraw/zinc/94/13/47/589941347.db2.gz AEOVCAYVDCAWCO-UHFFFAOYSA-N -1 3 243.738 3.074 20 0 BGADHM CC[C@@H](C)C[C@@H](C)Nc1cc(Cl)n[n-]c1=O ZINC000872467628 589942644 /nfs/dbraw/zinc/94/26/44/589942644.db2.gz NESQWMWYAGWACP-HTQZYQBOSA-N -1 3 243.738 3.072 20 0 BGADHM CC[C@H](C)C[C@@H](C)Nc1cc(Cl)n[n-]c1=O ZINC000872467629 589942614 /nfs/dbraw/zinc/94/26/14/589942614.db2.gz NESQWMWYAGWACP-JGVFFNPUSA-N -1 3 243.738 3.072 20 0 BGADHM CC[C@@H](C)C[C@H](C)Nc1cc(Cl)n[n-]c1=O ZINC000872467630 589942672 /nfs/dbraw/zinc/94/26/72/589942672.db2.gz NESQWMWYAGWACP-SFYZADRCSA-N -1 3 243.738 3.072 20 0 BGADHM CC[C@H](C)C[C@H](C)Nc1cc(Cl)n[n-]c1=O ZINC000872467631 589942834 /nfs/dbraw/zinc/94/28/34/589942834.db2.gz NESQWMWYAGWACP-YUMQZZPRSA-N -1 3 243.738 3.072 20 0 BGADHM CC(C)CCCSc1cc(Cl)n[n-]c1=O ZINC000872502926 589945277 /nfs/dbraw/zinc/94/52/77/589945277.db2.gz BEYSSJYRFSOOQR-UHFFFAOYSA-N -1 3 246.763 3.364 20 0 BGADHM CCCCCSc1cc(Cl)n[n-]c1=O ZINC000872503229 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VSFRPBZTLZIDLY-NWDGAFQWSA-N -1 3 236.359 3.055 20 0 BGADHM Cc1[n-]n([C@H]2CCCC2(C)C)c(=O)c1C(C)C ZINC000899356013 637081634 /nfs/dbraw/zinc/08/16/34/637081634.db2.gz VSFRPBZTLZIDLY-RYUDHWBXSA-N -1 3 236.359 3.055 20 0 BGADHM Cc1[n-]n([C@@H]2CCCC2(C)C)c(=O)c1C(C)C ZINC000899356014 637081561 /nfs/dbraw/zinc/08/15/61/637081561.db2.gz VSFRPBZTLZIDLY-VXGBXAGGSA-N -1 3 236.359 3.055 20 0 BGADHM Cc1[n-]n(CC2(C)CCCC2)c(=O)c1C(C)C ZINC000899356621 584202401 /nfs/dbraw/zinc/20/24/01/584202401.db2.gz OCGXHLWTKNVUDW-GFCCVEGCSA-N -1 3 236.359 3.057 20 0 BGADHM Cc1[n-]n(CC2(C)CCCC2)c(=O)c1C(C)C ZINC000899356622 584202444 /nfs/dbraw/zinc/20/24/44/584202444.db2.gz OCGXHLWTKNVUDW-LBPRGKRZSA-N -1 3 236.359 3.057 20 0 BGADHM C/C(=C(/F)C(=O)Nc1ccc(C)cc1[O-])C1CC1 ZINC000899942202 584258897 /nfs/dbraw/zinc/25/88/97/584258897.db2.gz PBEXBWDUYBBODG-LCYFTJDESA-N -1 3 249.285 3.293 20 0 BGADHM C/C(=C(\F)C(=O)Nc1ccc(C)cc1[O-])C1CC1 ZINC000899942203 584259161 /nfs/dbraw/zinc/25/91/61/584259161.db2.gz PBEXBWDUYBBODG-UKTHLTGXSA-N -1 3 249.285 3.293 20 0 BGADHM Cc1cccc([O-])c1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000901293514 584423416 /nfs/dbraw/zinc/42/34/16/584423416.db2.gz HQIZPCVSQGDZJO-RYUDHWBXSA-N -1 3 245.322 3.075 20 0 BGADHM CC1(CCc2nc(-c3ccc([O-])cc3)no2)CC1 ZINC000901906820 584505314 /nfs/dbraw/zinc/50/53/14/584505314.db2.gz XJTGZAOEQSSMRY-UHFFFAOYSA-N -1 3 244.294 3.175 20 0 BGADHM CCCC(CCC)NCc1cc(C(=O)[O-])co1 ZINC000901954230 584508016 /nfs/dbraw/zinc/50/80/16/584508016.db2.gz MKPGDWDEMZMQAO-UHFFFAOYSA-N -1 3 239.315 3.036 20 0 BGADHM CCCC[C@@H](CC)NCc1cc(C(=O)[O-])co1 ZINC000901954791 584508271 /nfs/dbraw/zinc/50/82/71/584508271.db2.gz SFHZVQYBYQCCTD-LLVKDONJSA-N -1 3 239.315 3.036 20 0 BGADHM CCCC[C@H](CC)NCc1cc(C(=O)[O-])co1 ZINC000901954792 584507902 /nfs/dbraw/zinc/50/79/02/584507902.db2.gz SFHZVQYBYQCCTD-NSHDSACASA-N -1 3 239.315 3.036 20 0 BGADHM C[C@H](NC/C=C/Cl)c1cc(F)cc(F)c1[O-] ZINC000903444343 584769580 /nfs/dbraw/zinc/76/95/80/584769580.db2.gz OVLDDYDIQZYGHT-AIYRYJHASA-N -1 3 247.672 3.074 20 0 BGADHM C[C@@H](NC/C=C\Cl)c1cc(F)cc(F)c1[O-] ZINC000903444344 584769686 /nfs/dbraw/zinc/76/96/86/584769686.db2.gz OVLDDYDIQZYGHT-SKRYNEFJSA-N -1 3 247.672 3.074 20 0 BGADHM C[C@@H](NC/C=C/Cl)c1cc(F)cc(F)c1[O-] ZINC000903444345 584769396 /nfs/dbraw/zinc/76/93/96/584769396.db2.gz OVLDDYDIQZYGHT-TYWZFMJISA-N -1 3 247.672 3.074 20 0 BGADHM C[C@H](NC/C=C\Cl)c1cc(F)cc(F)c1[O-] ZINC000903444346 584769360 /nfs/dbraw/zinc/76/93/60/584769360.db2.gz OVLDDYDIQZYGHT-XDVGHUOJSA-N -1 3 247.672 3.074 20 0 BGADHM CC(C)c1nn(C)cc1-c1ccc(F)c([O-])c1 ZINC000904760896 637461077 /nfs/dbraw/zinc/46/10/77/637461077.db2.gz ZLUODRVMDUHGCT-UHFFFAOYSA-N -1 3 234.274 3.055 20 0 BGADHM CC(C)(C)n1cc(-c2ccc(F)c([O-])c2)cn1 ZINC000904832447 637496564 /nfs/dbraw/zinc/49/65/64/637496564.db2.gz ZFMUCZXTQYGZSI-UHFFFAOYSA-N -1 3 234.274 3.150 20 0 BGADHM O=C(Nc1cccc([O-])c1F)C1(C2CC2)CCC1 ZINC000907160557 638315568 /nfs/dbraw/zinc/31/55/68/638315568.db2.gz CNPOYDXKLPJSCB-UHFFFAOYSA-N -1 3 249.285 3.050 20 0 BGADHM O=C(Oc1ccccc1)c1cc2ccsc2[n-]1 ZINC000916852451 641982048 /nfs/dbraw/zinc/98/20/48/641982048.db2.gz QYNRGBJOQZYOIP-UHFFFAOYSA-N -1 3 243.287 3.449 20 0 BGADHM O=C(OC1CCCC1)c1cc(Cl)c(Cl)[n-]1 ZINC000920123862 642439610 /nfs/dbraw/zinc/43/96/10/642439610.db2.gz KFMNHPBNCQUCRR-UHFFFAOYSA-N -1 3 248.109 3.421 20 0 BGADHM CCC(F)(F)CN[C@H](C)c1cc([O-])cc(F)c1 ZINC000926760300 645409548 /nfs/dbraw/zinc/40/95/48/645409548.db2.gz ZCKMVTLBPIRBND-MRVPVSSYSA-N -1 3 247.260 3.227 20 0 BGADHM CCC(F)(F)CN[C@@H](C)c1cc([O-])cc(F)c1 ZINC000926760303 645408738 /nfs/dbraw/zinc/40/87/38/645408738.db2.gz ZCKMVTLBPIRBND-QMMMGPOBSA-N -1 3 247.260 3.227 20 0 BGADHM Cc1coc(C(=O)[N-]c2c(C)noc2C(C)C)c1 ZINC000928781329 636357334 /nfs/dbraw/zinc/35/73/34/636357334.db2.gz TVMPGEQXSIVLOS-UHFFFAOYSA-N -1 3 248.282 3.260 20 0 BGADHM CC(C)=CCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000928966854 645922229 /nfs/dbraw/zinc/92/22/29/645922229.db2.gz PSQHBFJBZCZLHC-UHFFFAOYSA-N -1 3 248.109 3.445 20 0 BGADHM CC1(CCC(=O)Nc2cccc([O-])c2F)CC1 ZINC000935135702 641346242 /nfs/dbraw/zinc/34/62/42/641346242.db2.gz VIZICUUUXMBIGW-UHFFFAOYSA-N -1 3 237.274 3.050 20 0 BGADHM O=C(C[C@H]1CC=CCC1)Nc1cccc([O-])c1F ZINC000935138575 641348280 /nfs/dbraw/zinc/34/82/80/641348280.db2.gz VTAWKOUGPXVSBI-JTQLQIEISA-N -1 3 249.285 3.216 20 0 BGADHM O=C(C[C@@H]1CC=CCC1)Nc1cccc([O-])c1F ZINC000935138577 641348679 /nfs/dbraw/zinc/34/86/79/641348679.db2.gz VTAWKOUGPXVSBI-SNVBAGLBSA-N -1 3 249.285 3.216 20 0 BGADHM O=C(C[C@@H]1CC=CCC1)[N-]OC1CCCCC1 ZINC000935499345 632806675 /nfs/dbraw/zinc/80/66/75/632806675.db2.gz MMASUPATDFHCJI-GFCCVEGCSA-N -1 3 237.343 3.113 20 0 BGADHM O=C(C[C@H]1CC=CCC1)[N-]OC1CCCCC1 ZINC000935499346 632806411 /nfs/dbraw/zinc/80/64/11/632806411.db2.gz MMASUPATDFHCJI-LBPRGKRZSA-N -1 3 237.343 3.113 20 0 BGADHM