smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C1(NC(=O)c2sc3ccccc3c2Cl)CCCCC1 ZINC000060796878 939031633 /nfs/dbraw/zinc/03/16/33/939031633.db2.gz RMDVAFJXBJPYPV-UHFFFAOYSA-N -1 0 337.828 4.072 20 0 EIADRM CC(C)(C)c1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000684746089 939048141 /nfs/dbraw/zinc/04/81/41/939048141.db2.gz XLQHAZZTXJJAAF-INIZCTEOSA-N -1 0 344.386 4.071 20 0 EIADRM CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000762211597 939071941 /nfs/dbraw/zinc/07/19/41/939071941.db2.gz QUCMFOJSXFMLEW-KRWDZBQOSA-N -1 0 339.416 4.019 20 0 EIADRM O=C([O-])C1(NC(=O)Nc2ccc3c(c2)oc2ccccc23)CCCC1 ZINC000780401369 939116650 /nfs/dbraw/zinc/11/66/50/939116650.db2.gz CNJBWLSRKBLGMB-UHFFFAOYSA-N -1 0 338.363 4.105 20 0 EIADRM CCC1CCC(NC(=O)[C@H](C)c2ccc(Cl)s2)(C(=O)[O-])CC1 ZINC000431788787 939157690 /nfs/dbraw/zinc/15/76/90/939157690.db2.gz NHDPAGXAGSVFFG-VHTNMKBUSA-N -1 0 343.876 4.045 20 0 EIADRM Cc1cc(C)cc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC000431889156 939169793 /nfs/dbraw/zinc/16/97/93/939169793.db2.gz GVCGLGSESBPBQN-LJQANCHMSA-N -1 0 333.387 4.012 20 0 EIADRM CCc1ccc(NC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)cc1 ZINC000518706661 939250529 /nfs/dbraw/zinc/25/05/29/939250529.db2.gz SPFLUOBNEOACOW-IBGZPJMESA-N -1 0 348.402 4.350 20 0 EIADRM Cc1ccc([C@H](NC(=O)Nc2cccc3ccccc32)C(=O)[O-])cc1C ZINC000569907295 939378761 /nfs/dbraw/zinc/37/87/61/939378761.db2.gz XHULMTAFHMQBED-IBGZPJMESA-N -1 0 348.402 4.404 20 0 EIADRM Cc1cccc([C@@H](NC(=O)Nc2cccc3ccccc32)C(=O)[O-])c1C ZINC000570887023 939387220 /nfs/dbraw/zinc/38/72/20/939387220.db2.gz IVBSOCUEEFIEKS-LJQANCHMSA-N -1 0 348.402 4.404 20 0 EIADRM CC(C)c1cccc(-c2ccc(C(=O)N[C@](C)(C(=O)[O-])C3CC3)o2)c1 ZINC000577570842 939747350 /nfs/dbraw/zinc/74/73/50/939747350.db2.gz JJKQBARGFNEZRV-FQEVSTJZSA-N -1 0 341.407 4.053 20 0 EIADRM Cc1cccc([C@@H](NC(=O)Nc2cccc(C(F)F)c2)C(=O)[O-])c1C ZINC000580272219 939769096 /nfs/dbraw/zinc/76/90/96/939769096.db2.gz YLRFOPACPQUNQX-OAHLLOKOSA-N -1 0 348.349 4.188 20 0 EIADRM C[C@@H](C(=O)NC1(C(=O)[O-])CCCCC1)c1c(Cl)cccc1Cl ZINC000603055425 939807302 /nfs/dbraw/zinc/80/73/02/939807302.db2.gz VXFAIEUPQKBVSH-SNVBAGLBSA-N -1 0 344.238 4.001 20 0 EIADRM O=C([O-])[C@@H](C(=O)Nc1ccc(CCC(F)(F)F)cc1)C1CCCC1 ZINC000663074891 939852713 /nfs/dbraw/zinc/85/27/13/939852713.db2.gz DLSOQBPWQTXMAR-CQSZACIVSA-N -1 0 343.345 4.011 20 0 EIADRM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c(C)s1 ZINC000683331668 939871059 /nfs/dbraw/zinc/87/10/59/939871059.db2.gz JNZRCMXHSDPMFE-QGZVFWFLSA-N -1 0 339.416 4.074 20 0 EIADRM CC(C)Cn1cc(C(=O)Nc2cccc(Cl)c2[O-])c(C(F)F)n1 ZINC000449859335 1032081327 /nfs/dbraw/zinc/08/13/27/1032081327.db2.gz XQGPNYBJALWMHC-UHFFFAOYSA-N -1 0 343.761 4.088 20 0 EIADRM O=C([O-])CN(Cc1csc(-c2ccccc2F)n1)c1ccccc1 ZINC000347350288 1032084540 /nfs/dbraw/zinc/08/45/40/1032084540.db2.gz MREPTWXIESWRNI-UHFFFAOYSA-N -1 0 342.395 4.040 20 0 EIADRM Cc1cccc([C@@H]2CCCN2C(=O)Cc2ccc(O)c(F)c2)c1C ZINC000449930412 1032131429 /nfs/dbraw/zinc/13/14/29/1032131429.db2.gz VSRIOXOSDQKZOY-SFHVURJKSA-N -1 0 327.399 4.054 20 0 EIADRM COC(=O)[C@H](C)c1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC001211969727 1032140021 /nfs/dbraw/zinc/14/00/21/1032140021.db2.gz XGEHLMQMGCEHBV-SNVBAGLBSA-N -1 0 333.771 4.058 20 0 EIADRM O=C([O-])c1ccc(Nc2cc(F)c(F)c(Br)c2)cc1 ZINC001176715228 1052187242 /nfs/dbraw/zinc/18/72/42/1052187242.db2.gz KDBMXQZHNDFCRM-UHFFFAOYSA-N -1 0 328.112 4.169 20 0 EIADRM [O-]c1ccc(Br)nc1N=C1CCC(C(F)(F)F)CC1 ZINC001195836193 1053502318 /nfs/dbraw/zinc/50/23/18/1053502318.db2.gz XIGWPVUVWABRMN-ZETCQYMHSA-N -1 0 337.139 4.208 20 0 EIADRM CC(C)N(CCC(=O)[O-])C(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000236762259 1032200450 /nfs/dbraw/zinc/20/04/50/1032200450.db2.gz DJGAMDBSCUNOMG-UHFFFAOYSA-N -1 0 345.826 4.332 20 0 EIADRM CC(C)c1cnc(-c2ccc(NC(=O)c3ccc(C(=O)[O-])o3)cc2)o1 ZINC000236872707 1032207329 /nfs/dbraw/zinc/20/73/29/1032207329.db2.gz 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O=C([O-])c1ccc(NC(=O)[C@H]2SCCc3ccccc32)cc1Cl ZINC000238181821 1032240261 /nfs/dbraw/zinc/24/02/61/1032240261.db2.gz ZWWMZYZQTANZBT-HNNXBMFYSA-N -1 0 347.823 4.007 20 0 EIADRM O=C([O-])CCSCc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000238213565 1032241949 /nfs/dbraw/zinc/24/19/49/1032241949.db2.gz DEGRXJYEOQOWPX-UHFFFAOYSA-N -1 0 349.839 4.300 20 0 EIADRM C[C@H]1CCc2sc(C(=O)Nc3cccc(CCC(=O)[O-])c3)cc2C1 ZINC000325382896 1032246787 /nfs/dbraw/zinc/24/67/87/1032246787.db2.gz NWMDFWQJMSXFEL-LBPRGKRZSA-N -1 0 343.448 4.142 20 0 EIADRM CCCC[C@H](N=c1nc([C@@H](C)OC)[n-]s1)c1ccc(OC)cc1 ZINC000509667580 1032270709 /nfs/dbraw/zinc/27/07/09/1032270709.db2.gz NUFOELQHTLVRCI-DOMZBBRYSA-N -1 0 335.473 4.019 20 0 EIADRM CCn1nccc1/C=C(\CC(=O)[O-])c1nc2cc(Cl)ccc2s1 ZINC000532800087 1032317824 /nfs/dbraw/zinc/31/78/24/1032317824.db2.gz QRCJMDQUGLLAGJ-JXMROGBWSA-N -1 0 347.827 4.181 20 0 EIADRM COc1cc([C@@H](C)N=c2[n-]nc(C(C)C)o2)ccc1OC1CCCC1 ZINC000450252153 1032369324 /nfs/dbraw/zinc/36/93/24/1032369324.db2.gz GPZHWWADMUIZAN-CYBMUJFWSA-N -1 0 345.443 4.118 20 0 EIADRM Cc1cc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)nn1C(C)C ZINC000450316274 1032416140 /nfs/dbraw/zinc/41/61/40/1032416140.db2.gz HADDANIFNNFPAS-UHFFFAOYSA-N -1 0 328.199 4.037 20 0 EIADRM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1CC12CCSCC2 ZINC000450317371 1032417375 /nfs/dbraw/zinc/41/73/75/1032417375.db2.gz KEFRAFPYTIMVED-VIFPVBQESA-N -1 0 332.252 4.171 20 0 EIADRM C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000450542448 1032548971 /nfs/dbraw/zinc/54/89/71/1032548971.db2.gz UHTGUIXRIABTER-JTQLQIEISA-N -1 0 349.839 4.111 20 0 EIADRM C[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])CC1 ZINC000262938597 1032565218 /nfs/dbraw/zinc/56/52/18/1032565218.db2.gz LXDPTZMZJSDBGU-OAHLLOKOSA-N -1 0 337.419 4.314 20 0 EIADRM O=S(=O)([O-])c1ccc(Cl)c(Nc2ccc(C3CC3)cc2F)c1 ZINC001213464281 1032657833 /nfs/dbraw/zinc/65/78/33/1032657833.db2.gz GKKUOWJVLVLRDK-UHFFFAOYSA-N -1 0 341.791 4.347 20 0 EIADRM CCCCc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 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EIADRM COc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])c1F ZINC001625783542 1018920594 /nfs/dbraw/zinc/92/05/94/1018920594.db2.gz VURAMOBKVMRVBJ-UHFFFAOYSA-N -1 0 330.142 4.099 20 0 EIADRM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C)c(Cl)cc1F ZINC000471128374 1019038550 /nfs/dbraw/zinc/03/85/50/1019038550.db2.gz BWMKMBLCESHFQZ-UHFFFAOYSA-N -1 0 331.771 4.036 20 0 EIADRM Cc1cc2cc(CN[C@@H](C(=O)[O-])c3cc(F)ccc3F)oc2cc1C ZINC000683174382 1019095409 /nfs/dbraw/zinc/09/54/09/1019095409.db2.gz RTMCWHVOUHIRDU-GOSISDBHSA-N -1 0 345.345 4.243 20 0 EIADRM CCC(CC)(CC(=O)Nc1cccc(CC(F)(F)F)c1)C(=O)[O-] ZINC000236879610 1032836685 /nfs/dbraw/zinc/83/66/85/1032836685.db2.gz BFCNWFULODPABE-UHFFFAOYSA-N -1 0 331.334 4.011 20 0 EIADRM CCOc1ccc(N(C)C(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000073903245 1019832015 /nfs/dbraw/zinc/83/20/15/1019832015.db2.gz UTQXKURDWCSYLT-UHFFFAOYSA-N -1 0 328.393 4.166 20 0 EIADRM CC(C)COc1ccccc1CNC(=O)c1cccc(Cl)c1[O-] ZINC001125308402 1019903182 /nfs/dbraw/zinc/90/31/82/1019903182.db2.gz 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ZINC000683304555 1020164893 /nfs/dbraw/zinc/16/48/93/1020164893.db2.gz VGIBWJCMXWVVJY-HNNXBMFYSA-N -1 0 331.456 4.267 20 0 EIADRM Cc1coc(C)c1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000339963496 1020205320 /nfs/dbraw/zinc/20/53/20/1020205320.db2.gz IUQROZBSWXNOQZ-UHFFFAOYSA-N -1 0 344.592 4.270 20 0 EIADRM Cc1ccc(-c2csc(NC(=O)CCCCC(=O)[O-])n2)cc1C ZINC000655550208 1020237242 /nfs/dbraw/zinc/23/72/42/1020237242.db2.gz MKMQDJUXHXECCA-UHFFFAOYSA-N -1 0 332.425 4.010 20 0 EIADRM CC(C)[C@@H](CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655580354 1020459118 /nfs/dbraw/zinc/45/91/18/1020459118.db2.gz MCFUFKJMNUFPDS-XOYOTBSWSA-N -1 0 345.483 4.068 20 0 EIADRM Cc1cc(NC(=O)c2ccc(Br)cc2)cc(C(=O)[O-])c1C ZINC000062337847 1020461873 /nfs/dbraw/zinc/46/18/73/1020461873.db2.gz JQBJODHZJZSHSI-UHFFFAOYSA-N -1 0 348.196 4.016 20 0 EIADRM O=C([O-])c1cc(F)cc(Nc2cc(Br)ccc2F)c1 ZINC001209889788 1020591885 /nfs/dbraw/zinc/59/18/85/1020591885.db2.gz TZITVNFKSKKIOZ-UHFFFAOYSA-N -1 0 328.112 4.169 20 0 EIADRM COc1ccc(Nc2c(Cl)ncc3ccccc32)cc1C(=O)[O-] ZINC001209896833 1020596521 /nfs/dbraw/zinc/59/65/21/1020596521.db2.gz MLBCIZTZIPIZOP-UHFFFAOYSA-N -1 0 328.755 4.339 20 0 EIADRM CCC[C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000236876803 1020666677 /nfs/dbraw/zinc/66/66/77/1020666677.db2.gz FOXSIWZCJWLKIG-ROUUACIJSA-N -1 0 337.504 4.477 20 0 EIADRM O=S(=O)([N-]c1cccnc1-c1ccccc1)c1ccccc1Cl ZINC000533624130 1020787147 /nfs/dbraw/zinc/78/71/47/1020787147.db2.gz FNKMGHPHGDQUAR-UHFFFAOYSA-N -1 0 344.823 4.203 20 0 EIADRM Cc1ccc(F)cc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000237562716 1020815677 /nfs/dbraw/zinc/81/56/77/1020815677.db2.gz VYDATORHSXOELG-UHFFFAOYSA-N -1 0 329.352 4.299 20 0 EIADRM Cc1ccc(Oc2ccccc2NC(=O)c2ccc(C(=O)[O-])nc2)cc1 ZINC000237809787 1020839408 /nfs/dbraw/zinc/83/94/08/1020839408.db2.gz PMPITMYUHQFEMM-UHFFFAOYSA-N -1 0 348.358 4.133 20 0 EIADRM Cc1cccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)c1C ZINC000237920296 1020870325 /nfs/dbraw/zinc/87/03/25/1020870325.db2.gz 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CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)Cc1ccc(O)c(Cl)c1 ZINC001136488292 1049675948 /nfs/dbraw/zinc/67/59/48/1049675948.db2.gz KEKCURNHOTXDGB-KBMXLJTQSA-N -1 0 337.891 4.413 20 0 EIADRM CCC[C@@H](NC(=O)CCCCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263320724 1049679235 /nfs/dbraw/zinc/67/92/35/1049679235.db2.gz RIPIYAQXIXLIRJ-CQSZACIVSA-N -1 0 345.361 4.308 20 0 EIADRM Cc1ccc([C@H](C)N(C)C(=O)N=c2[n-]nc(CC(C)C)s2)c(C)c1 ZINC000615474344 1049691185 /nfs/dbraw/zinc/69/11/85/1049691185.db2.gz MLHMZYHPCFSOOH-AWEZNQCLSA-N -1 0 346.500 4.000 20 0 EIADRM CC(C)(C)Sc1ccc(NC(=O)c2cc3c(cc2O)OCO3)cc1 ZINC001136522692 1049719462 /nfs/dbraw/zinc/71/94/62/1049719462.db2.gz WJFYXKNFPDGXHY-UHFFFAOYSA-N -1 0 345.420 4.264 20 0 EIADRM Cc1cccc2c(CCC(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)c[nH]c21 ZINC000237762178 1049748768 /nfs/dbraw/zinc/74/87/68/1049748768.db2.gz MRGNGXZCSQVLEP-KPKJPENVSA-N -1 0 348.402 4.145 20 0 EIADRM Cc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)c(C)n1Cc1ccccc1 ZINC000237793525 1049765788 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1050338072 /nfs/dbraw/zinc/33/80/72/1050338072.db2.gz PCWGKSPZHLMTAC-UHFFFAOYSA-N -1 0 339.388 4.289 20 0 EIADRM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1csc2ccccc21 ZINC001186509237 1050347379 /nfs/dbraw/zinc/34/73/79/1050347379.db2.gz VMVZMSNHIVPURT-UHFFFAOYSA-N -1 0 335.425 4.458 20 0 EIADRM COc1ccc([C@H]2CCCN2C(=O)c2ccc([O-])c(Cl)c2)cc1F ZINC000618396250 1050365476 /nfs/dbraw/zinc/36/54/76/1050365476.db2.gz OWTSMDUWAXPCHM-OAHLLOKOSA-N -1 0 349.789 4.171 20 0 EIADRM Cc1ccc(OC(C)C)cc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC001186779339 1050414111 /nfs/dbraw/zinc/41/41/11/1050414111.db2.gz LBNAODAGABGLSN-UHFFFAOYSA-N -1 0 339.313 4.157 20 0 EIADRM CC(C)=CCC/C(C)=C/CNC(=O)c1cc(F)c(F)c([O-])c1F ZINC001186788127 1050416979 /nfs/dbraw/zinc/41/69/79/1050416979.db2.gz OJZOXTNKESSDSI-YRNVUSSQSA-N -1 0 327.346 4.232 20 0 EIADRM CC(C)c1ccnc(CC(=O)Nc2ccc3[n-]c(=S)sc3c2)c1 ZINC001178227161 1050417089 /nfs/dbraw/zinc/41/70/89/1050417089.db2.gz YAQHZLKTIMFQSL-UHFFFAOYSA-N -1 0 343.477 4.285 20 0 EIADRM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1Cl)c1ccco1 ZINC001186856758 1050438631 /nfs/dbraw/zinc/43/86/31/1050438631.db2.gz XHGAEBGCBLCZQT-UHFFFAOYSA-N -1 0 326.588 4.041 20 0 EIADRM Cc1cc(F)c(S(=O)(=O)N[C@@H](CCC(C)C)C(C)(C)C)cc1F ZINC001187005724 1050457366 /nfs/dbraw/zinc/45/73/66/1050457366.db2.gz OTKOFMZAOQSOPB-INIZCTEOSA-N -1 0 347.471 4.402 20 0 EIADRM CN(C(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(F)c(Cl)c1 ZINC000182143247 1050506528 /nfs/dbraw/zinc/50/65/28/1050506528.db2.gz AYDDMTNHKHWHMQ-UHFFFAOYSA-N -1 0 336.775 4.186 20 0 EIADRM CSc1ccccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187206941 1050508091 /nfs/dbraw/zinc/50/80/91/1050508091.db2.gz MKLMRSKGHMXEBD-UHFFFAOYSA-N -1 0 339.507 4.150 20 0 EIADRM O=S(=O)([N-]c1ccc2c(c1)N=NC2)c1cc2c(s1)CCCC2 ZINC001187218173 1050510607 /nfs/dbraw/zinc/51/06/07/1050510607.db2.gz HREFQLTUCBPQNV-UHFFFAOYSA-N -1 0 333.438 4.025 20 0 EIADRM CCC(=O)c1ccccc1[N-]S(=O)(=O)c1cc2c(s1)CCCC2 ZINC001187215854 1050511185 /nfs/dbraw/zinc/51/11/85/1050511185.db2.gz 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1050596654 /nfs/dbraw/zinc/59/66/54/1050596654.db2.gz SXLIMLVVUBGYQY-UHFFFAOYSA-N -1 0 325.817 4.201 20 0 EIADRM Cc1cc(C)cc(Nc2ccc3ccccc3c2S(=O)(=O)[O-])c1 ZINC001173829725 1050599488 /nfs/dbraw/zinc/59/94/88/1050599488.db2.gz YGAMMWDIDFFPCS-UHFFFAOYSA-N -1 0 327.405 4.447 20 0 EIADRM Cc1cc(C)cc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c1 ZINC001173828923 1050599558 /nfs/dbraw/zinc/59/95/58/1050599558.db2.gz LGDMWOZKEJVXEN-UHFFFAOYSA-N -1 0 327.405 4.447 20 0 EIADRM O=S(=O)([N-]c1ccccc1Sc1ccccc1)c1nccs1 ZINC001187890336 1050646086 /nfs/dbraw/zinc/64/60/86/1050646086.db2.gz FSAFAMUYWALOGM-UHFFFAOYSA-N -1 0 348.474 4.095 20 0 EIADRM Cc1cccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c1C ZINC001173953282 1050662736 /nfs/dbraw/zinc/66/27/36/1050662736.db2.gz YQSWUYUMLSKNJX-UHFFFAOYSA-N -1 0 327.405 4.447 20 0 EIADRM CC(C)(C)C1CCC(C[N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001187983171 1050663609 /nfs/dbraw/zinc/66/36/09/1050663609.db2.gz CQLBUNSLBXWOIN-UHFFFAOYSA-N -1 0 345.455 4.096 20 0 EIADRM Cc1ccc(Nc2ccc3c(cccc3S(=O)(=O)[O-])c2)c(C)c1 ZINC001174015673 1050702436 /nfs/dbraw/zinc/70/24/36/1050702436.db2.gz YOHHWVPDAMVWKB-UHFFFAOYSA-N -1 0 327.405 4.447 20 0 EIADRM CS(=O)(=O)c1cccc(Nc2cc(C(F)(F)F)ccc2[S-])c1 ZINC001174028967 1050712162 /nfs/dbraw/zinc/71/21/62/1050712162.db2.gz HVRLDOYVHGTEFA-UHFFFAOYSA-N -1 0 347.383 4.141 20 0 EIADRM Cc1cc(S(=O)(=O)[O-])c(Nc2cncc3ccccc32)cc1Cl ZINC001174101745 1050727725 /nfs/dbraw/zinc/72/77/25/1050727725.db2.gz UYGNNNSHSNVEKT-UHFFFAOYSA-N -1 0 348.811 4.187 20 0 EIADRM O=C(Cc1ccc(F)cc1Br)Nc1ccccc1[S-] ZINC001179624800 1050743991 /nfs/dbraw/zinc/74/39/91/1050743991.db2.gz FAJOTJPFOUIFOX-UHFFFAOYSA-N -1 0 340.217 4.058 20 0 EIADRM O=C([O-])c1ccc(Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1 ZINC001174075690 1050749059 /nfs/dbraw/zinc/74/90/59/1050749059.db2.gz CTSWRCMLLDZUPF-UHFFFAOYSA-N -1 0 346.386 4.058 20 0 EIADRM COc1cc(Nc2ccc(C(=O)NCC(C)C)cc2)ccc1[S-] ZINC001174080357 1050755040 /nfs/dbraw/zinc/75/50/40/1050755040.db2.gz UEXBINGZAKIGAW-UHFFFAOYSA-N 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1041482293 /nfs/dbraw/zinc/48/22/93/1041482293.db2.gz SOCUGFQIZYLUBO-UHFFFAOYSA-N -1 0 346.358 4.355 20 0 EIADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000436792242 1041483899 /nfs/dbraw/zinc/48/38/99/1041483899.db2.gz MQFMVINCIZZHRE-OAHLLOKOSA-N -1 0 329.827 4.456 20 0 EIADRM O=C(NC[C@@H](c1ccccc1)C1CC1)c1cc(F)c([O-])c(Cl)c1 ZINC000436839187 1041496449 /nfs/dbraw/zinc/49/64/49/1041496449.db2.gz NAGDONXHPJVAAA-AWEZNQCLSA-N -1 0 333.790 4.108 20 0 EIADRM Cc1cccc([C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3O)C2)c1 ZINC000436834523 1041499332 /nfs/dbraw/zinc/49/93/32/1041499332.db2.gz PSKAVGNVKAATAD-CQSZACIVSA-N -1 0 349.352 4.349 20 0 EIADRM CC(C)Oc1c(F)cc(NC(=O)c2ccc([O-])c(Cl)c2)cc1F ZINC000436825686 1041503985 /nfs/dbraw/zinc/50/39/85/1041503985.db2.gz HHGWBERICWVLPU-UHFFFAOYSA-N -1 0 341.741 4.363 20 0 EIADRM Cc1cc(C(F)(F)F)ccc1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000436845669 1041512513 /nfs/dbraw/zinc/51/25/13/1041512513.db2.gz FCCOVSLWBKYZBD-UHFFFAOYSA-N -1 0 343.732 4.303 20 0 EIADRM 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1041574890 /nfs/dbraw/zinc/57/48/90/1041574890.db2.gz ZWVIUWLSZFJFBD-UHFFFAOYSA-N -1 0 338.754 4.014 20 0 EIADRM O=C(NCCc1nc(C2CCCCC2)cs1)c1c(O)cccc1F ZINC000436971501 1041576804 /nfs/dbraw/zinc/57/68/04/1041576804.db2.gz KELRFFHEAKNIJD-UHFFFAOYSA-N -1 0 348.443 4.008 20 0 EIADRM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc([O-])c(Cl)c1 ZINC000436974466 1041579613 /nfs/dbraw/zinc/57/96/13/1041579613.db2.gz ZBTVHPINRZKSHV-ZANVPECISA-N -1 0 340.181 4.124 20 0 EIADRM C[C@@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccc(Cl)cn1 ZINC000436981239 1041580950 /nfs/dbraw/zinc/58/09/50/1041580950.db2.gz QFWNCRNOBVJUFO-SSDOTTSWSA-N -1 0 345.613 4.238 20 0 EIADRM O=C(c1c([O-])cccc1F)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000437007331 1041590823 /nfs/dbraw/zinc/59/08/23/1041590823.db2.gz ZVCVSGHCZLIGDJ-OAHLLOKOSA-N -1 0 335.325 4.177 20 0 EIADRM Cc1sc([C@@H]2CCCN2c2ncc(C(C)C)s2)nc1C(=O)[O-] ZINC000516476537 1041592521 /nfs/dbraw/zinc/59/25/21/1041592521.db2.gz SROAEKUBTMVMOP-JTQLQIEISA-N -1 0 337.470 4.071 20 0 EIADRM 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1023501478 /nfs/dbraw/zinc/50/14/78/1023501478.db2.gz PZPIKGVMXLBKSR-FMIVXFBMSA-N -1 0 348.358 4.000 20 0 EIADRM Cc1nc(-c2ccc(NC[C@@H]3CCCC3(C)C)nc2)[nH]c(=O)c1C ZINC000549246357 1023547405 /nfs/dbraw/zinc/54/74/05/1023547405.db2.gz HFDNBMWITFYQCG-HNNXBMFYSA-N -1 0 326.444 4.099 20 0 EIADRM Cc1cc(Nc2ccc(C(=O)[O-])c(C)c2)n(Cc2cccc(F)c2)n1 ZINC001211655309 1023560221 /nfs/dbraw/zinc/56/02/21/1023560221.db2.gz SZCYAPMMZNEATF-UHFFFAOYSA-N -1 0 339.370 4.129 20 0 EIADRM c1ccc2c(c1)C1C[C@H](CN=c3[n-]nc(C4CC4)o3)C2c2ccccc21 ZINC000341345135 1023589192 /nfs/dbraw/zinc/58/91/92/1023589192.db2.gz JIXAYLAMJJXIGX-WPUWVODUSA-N -1 0 343.430 4.078 20 0 EIADRM Cc1ccc(SCCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000167669246 1023619129 /nfs/dbraw/zinc/61/91/29/1023619129.db2.gz KFDARIMZRRQQQH-UHFFFAOYSA-N -1 0 349.839 4.468 20 0 EIADRM Cc1ccc(F)c(NC(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000581703811 1023624187 /nfs/dbraw/zinc/62/41/87/1023624187.db2.gz DYXUTFMBKQRLGZ-PBHICJAKSA-N -1 0 348.418 4.021 20 0 EIADRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1cc(C)ccc1F ZINC000581703839 1023624260 /nfs/dbraw/zinc/62/42/60/1023624260.db2.gz HKFSAHAAZOOQSL-QGZVFWFLSA-N -1 0 344.386 4.204 20 0 EIADRM O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2nc3ccccc3s2)c1[O-] ZINC000025258849 1023627662 /nfs/dbraw/zinc/62/76/62/1023627662.db2.gz XEYQFVJIPFTGEC-REZTVBANSA-N -1 0 347.783 4.183 20 0 EIADRM Cc1cccnc1C(F)(F)C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000192574007 1023630430 /nfs/dbraw/zinc/63/04/30/1023630430.db2.gz MWHAOHGJNBASLB-JTQLQIEISA-N -1 0 342.748 4.152 20 0 EIADRM CC(C)n1ncc2ccc(NC(=O)c3ccc(Cl)cc3[O-])cc21 ZINC001143397048 1023714720 /nfs/dbraw/zinc/71/47/20/1023714720.db2.gz AXUOFDQWKGZYIK-UHFFFAOYSA-N -1 0 329.787 4.229 20 0 EIADRM Cc1ccc(C(=O)[O-])cc1NCc1ccc(OC(F)F)c(F)c1 ZINC000584536679 1023748868 /nfs/dbraw/zinc/74/88/68/1023748868.db2.gz XKNIUFIJJCBYLX-UHFFFAOYSA-N -1 0 325.286 4.046 20 0 EIADRM CCOc1ccc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)cc1OC ZINC000559192366 1023791472 /nfs/dbraw/zinc/79/14/72/1023791472.db2.gz OLEXUDJFHWBSBA-UITAMQMPSA-N -1 0 339.347 4.104 20 0 EIADRM Cc1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1Cl ZINC000431981646 1023824484 /nfs/dbraw/zinc/82/44/84/1023824484.db2.gz OKLOYLOQSINZDS-GFCCVEGCSA-N -1 0 331.799 4.164 20 0 EIADRM C[C@@H](Cc1ccc(NC(=O)c2ccc3sccc3c2)cc1)C(=O)[O-] ZINC000431996246 1023827676 /nfs/dbraw/zinc/82/76/76/1023827676.db2.gz UXNBJWHPDMYZCT-LBPRGKRZSA-N -1 0 339.416 4.417 20 0 EIADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H](C)CC)cc2)s1 ZINC000511682240 1023828193 /nfs/dbraw/zinc/82/81/93/1023828193.db2.gz OEPFIVPCTXKEPP-GFCCVEGCSA-N -1 0 339.482 4.289 20 0 EIADRM O=C([O-])Cc1ccc(NC(=O)c2cc3c(ccc4ccccc34)[nH]2)cc1 ZINC000432009870 1023832302 /nfs/dbraw/zinc/83/23/02/1023832302.db2.gz ZKNFQSICLSDXOT-UHFFFAOYSA-N -1 0 344.370 4.201 20 0 EIADRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(C)ccc2F)c1 ZINC000511739658 1023844837 /nfs/dbraw/zinc/84/48/37/1023844837.db2.gz SUHOXBXPKVCTLQ-CYBMUJFWSA-N -1 0 337.416 4.112 20 0 EIADRM CCOc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)cc(Cl)c1O ZINC000255386511 1023869409 /nfs/dbraw/zinc/86/94/09/1023869409.db2.gz XWDMWKWJTWMQIZ-XGICHPGQSA-N -1 0 333.746 4.076 20 0 EIADRM CCc1ccc(NC(=O)CCc2ccccc2C(=O)[O-])cc1CC ZINC000432098894 1023875168 /nfs/dbraw/zinc/87/51/68/1023875168.db2.gz OXBBNOOIHWKGRS-UHFFFAOYSA-N -1 0 325.408 4.081 20 0 EIADRM CC(C)c1ccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000432106616 1023878792 /nfs/dbraw/zinc/87/87/92/1023878792.db2.gz IOPCKPMUCOKQHL-LJQANCHMSA-N -1 0 339.435 4.016 20 0 EIADRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)CCc2ccc(C(=O)[O-])cc2)c1 ZINC000432119674 1023885832 /nfs/dbraw/zinc/88/58/32/1023885832.db2.gz HWMJWQIKBVRTFI-MRXNPFEDSA-N -1 0 339.435 4.154 20 0 EIADRM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c(C)c1O ZINC000047383652 1023888101 /nfs/dbraw/zinc/88/81/01/1023888101.db2.gz MVJWYNGLEPHYMW-UHFFFAOYSA-N -1 0 346.235 4.117 20 0 EIADRM O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000013173966 1023917615 /nfs/dbraw/zinc/91/76/15/1023917615.db2.gz BKKBTAGVAWTUCV-SNVBAGLBSA-N -1 0 344.219 4.001 20 0 EIADRM Cc1cc(C)c(NC(=O)Nc2cccc(CCC(=O)[O-])c2)c(C)c1 ZINC000261766965 1023925310 /nfs/dbraw/zinc/92/53/10/1023925310.db2.gz WJIVKFZNUWUTPM-UHFFFAOYSA-N -1 0 326.396 4.273 20 0 EIADRM CC(C)c1nc(=N[C@@H](C)c2ccc(Br)s2)s[n-]1 ZINC000548364940 1023931055 /nfs/dbraw/zinc/93/10/55/1023931055.db2.gz WQHKWKLUYFUFML-ZETCQYMHSA-N -1 0 332.292 4.081 20 0 EIADRM COc1cccc(Br)c1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211660639 1023931010 /nfs/dbraw/zinc/93/10/10/1023931010.db2.gz FGDKXGUHDMQJLX-UHFFFAOYSA-N -1 0 336.185 4.208 20 0 EIADRM O=S(=O)([N-]c1cccc2[nH]ccc21)c1cc(Cl)ccc1Cl ZINC000110137998 1033174239 /nfs/dbraw/zinc/17/42/39/1033174239.db2.gz VCSGYXRRORPECO-UHFFFAOYSA-N -1 0 341.219 4.276 20 0 EIADRM CCCCN(C)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000236707857 1024030099 /nfs/dbraw/zinc/03/00/99/1024030099.db2.gz ZNUZHUMYBPZIID-UHFFFAOYSA-N -1 0 347.436 4.142 20 0 EIADRM COc1ccc(CO)cc1Nc1cc(C(F)(F)F)ccc1[S-] ZINC001211524895 1024093878 /nfs/dbraw/zinc/09/38/78/1024093878.db2.gz HGKYCPRTRWJEQE-UHFFFAOYSA-N -1 0 329.343 4.239 20 0 EIADRM Cc1ccc(-c2ncco2)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000089222926 1024237328 /nfs/dbraw/zinc/23/73/28/1024237328.db2.gz NSGLGOBPABVOTD-UHFFFAOYSA-N -1 0 328.755 4.261 20 0 EIADRM CCn1nc(C)c(NC(=O)c2cc(Cl)c3ccccc3c2[O-])c1C ZINC000091684322 1024337081 /nfs/dbraw/zinc/33/70/81/1024337081.db2.gz YSKHQXYVACKXBE-UHFFFAOYSA-N -1 0 343.814 4.284 20 0 EIADRM COc1cccc([C@H]2CCCN2C(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000184211081 1024419032 /nfs/dbraw/zinc/41/90/32/1024419032.db2.gz CYYAQQGGMRAPOZ-MRXNPFEDSA-N -1 0 349.789 4.171 20 0 EIADRM O=C(Nc1ccccc1N1CCCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000184224493 1024496240 /nfs/dbraw/zinc/49/62/40/1024496240.db2.gz MURWGJSYJRLUMK-UHFFFAOYSA-N -1 0 334.778 4.037 20 0 EIADRM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000663034658 1024612699 /nfs/dbraw/zinc/61/26/99/1024612699.db2.gz SMJGSHHXGMLGGT-MRXNPFEDSA-N -1 0 332.444 4.117 20 0 EIADRM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc(Cl)cc1[O-] ZINC001143518571 1024613205 /nfs/dbraw/zinc/61/32/05/1024613205.db2.gz IRECIVLEMZHLGM-UHFFFAOYSA-N -1 0 348.189 4.137 20 0 EIADRM CC(C)(Cc1cccc(Cl)c1)C(=O)NCCCCCCC(=O)[O-] ZINC000236765869 1024755264 /nfs/dbraw/zinc/75/52/64/1024755264.db2.gz WVECBDMCKKTMHT-UHFFFAOYSA-N -1 0 339.863 4.060 20 0 EIADRM C[C@@H](CC1CCCCC1)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000510898453 1024767362 /nfs/dbraw/zinc/76/73/62/1024767362.db2.gz YHOHIMNYKAOXJA-NSHDSACASA-N -1 0 335.498 4.234 20 0 EIADRM O=C([O-])CN(Cc1cc(-c2ccccc2Cl)on1)C1CCCCC1 ZINC000652481975 1024849226 /nfs/dbraw/zinc/84/92/26/1024849226.db2.gz HJASDMVLTXIXCH-UHFFFAOYSA-N -1 0 348.830 4.214 20 0 EIADRM O=C([O-])c1ccc(CNC(=O)CCCc2ccc3ccccc3c2)cc1 ZINC000431218515 1024862040 /nfs/dbraw/zinc/86/20/40/1024862040.db2.gz VQJFIHUJLAXWSJ-UHFFFAOYSA-N -1 0 347.414 4.177 20 0 EIADRM O=C(Nc1ccccc1OCC1CC1)c1cc(F)c([O-])c(Cl)c1 ZINC000184436939 1024882927 /nfs/dbraw/zinc/88/29/27/1024882927.db2.gz KKQGOSMMSVDPTG-UHFFFAOYSA-N -1 0 335.762 4.226 20 0 EIADRM Fc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2Cl)cc1 ZINC000254394737 1024933051 /nfs/dbraw/zinc/93/30/51/1024933051.db2.gz OMBPOIDIWQEVMJ-UHFFFAOYSA-N -1 0 332.791 4.282 20 0 EIADRM CC(C)(C)CN(CC(=O)[O-])Cc1sc2ccccc2c1Cl ZINC000662227045 1024977958 /nfs/dbraw/zinc/97/79/58/1024977958.db2.gz JQIDFSITPGCOAP-UHFFFAOYSA-N -1 0 325.861 4.487 20 0 EIADRM Cc1cc(CN=c2[n-]nc(C3CC3)o2)ccc1Oc1ccc(F)cc1 ZINC000341925060 1024995894 /nfs/dbraw/zinc/99/58/94/1024995894.db2.gz GICBCHYRFDWHQE-UHFFFAOYSA-N -1 0 339.370 4.221 20 0 EIADRM CCC(=O)Nc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000254808434 1024998632 /nfs/dbraw/zinc/99/86/32/1024998632.db2.gz ITRQKTUOLSWNDK-UHFFFAOYSA-N -1 0 347.758 4.053 20 0 EIADRM COc1cc(NC(=O)c2ccc([O-])c(Cl)c2)ccc1OC(C)C ZINC000185826080 1025010659 /nfs/dbraw/zinc/01/06/59/1025010659.db2.gz ZKALNSXFSPJIMM-UHFFFAOYSA-N -1 0 335.787 4.094 20 0 EIADRM Cn1ccc(C(=O)Nc2cc(Br)ccc2O)c1C1CCC1 ZINC000343899914 1025189883 /nfs/dbraw/zinc/18/98/83/1025189883.db2.gz UIXGAEYSGXZWRM-UHFFFAOYSA-N -1 0 349.228 4.013 20 0 EIADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCSc1ccccc1F ZINC000471993290 1025246531 /nfs/dbraw/zinc/24/65/31/1025246531.db2.gz SSYMJLMWOAPTFJ-UHFFFAOYSA-N -1 0 347.411 4.262 20 0 EIADRM CC(C)C1CCC(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])CC1 ZINC000236586609 1025247852 /nfs/dbraw/zinc/24/78/52/1025247852.db2.gz GRKNYFVLIZUJPG-WLYUNCDWSA-N -1 0 349.496 4.196 20 0 EIADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000471995177 1025260101 /nfs/dbraw/zinc/26/01/01/1025260101.db2.gz JJJLAQIYSCGAOK-UHFFFAOYSA-N -1 0 327.858 4.171 20 0 EIADRM CCC(CC)CN(CC)C(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000236634265 1025264932 /nfs/dbraw/zinc/26/49/32/1025264932.db2.gz FBLZSJCAWKXOLK-CYBMUJFWSA-N -1 0 337.485 4.150 20 0 EIADRM Cc1cc(C)c(NC(=O)[C@](C)(CC(=O)[O-])c2ccsc2)c(C)c1 ZINC000634815639 1025294591 /nfs/dbraw/zinc/29/45/91/1025294591.db2.gz CBNUNOOENDHOMK-GOSISDBHSA-N -1 0 331.437 4.044 20 0 EIADRM CC(C)(Oc1ccc(-c2cncc(C(F)(F)F)c2)cc1)C(=O)[O-] ZINC000657206315 1025294687 /nfs/dbraw/zinc/29/46/87/1025294687.db2.gz GOASSRODMPOINX-UHFFFAOYSA-N -1 0 325.286 4.009 20 0 EIADRM O=C([O-])[C@@H]1C[C@H]1c1ccc(-c2ccc(C(F)(F)F)cc2CO)cc1 ZINC000657207998 1025294811 /nfs/dbraw/zinc/29/48/11/1025294811.db2.gz WKOODLDNBSEBNC-JKSUJKDBSA-N -1 0 336.309 4.053 20 0 EIADRM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC000472001250 1025312624 /nfs/dbraw/zinc/31/26/24/1025312624.db2.gz XHKUJJHKMYACJO-GOSISDBHSA-N -1 0 341.407 4.106 20 0 EIADRM C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C(F)(F)F ZINC000843595578 1025335500 /nfs/dbraw/zinc/33/55/00/1025335500.db2.gz UBWNOEDDYVTINA-RXMQYKEDSA-N -1 0 336.087 4.152 20 0 EIADRM O=C([O-])c1cc(NC(=O)c2cc(Cl)ccc2F)ccc1Cl ZINC000037403727 1025336180 /nfs/dbraw/zinc/33/61/80/1025336180.db2.gz NNOSETOHBHQLKQ-UHFFFAOYSA-N -1 0 328.126 4.083 20 0 EIADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H](C)CCc1ccccc1F ZINC000472015654 1025381037 /nfs/dbraw/zinc/38/10/37/1025381037.db2.gz GDHRPENFKAKYRW-LBPRGKRZSA-N -1 0 343.398 4.348 20 0 EIADRM CCCCOc1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000472016529 1025383540 /nfs/dbraw/zinc/38/35/40/1025383540.db2.gz GZJRKZOEHLGWDF-UHFFFAOYSA-N -1 0 341.407 4.433 20 0 EIADRM Cc1cc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)ccc1Cl ZINC000439933650 1025472524 /nfs/dbraw/zinc/47/25/24/1025472524.db2.gz YSYAYNYDRDWFDU-LBPRGKRZSA-N -1 0 331.799 4.164 20 0 EIADRM Cc1cc(Cl)ccc1C(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000439936283 1025473183 /nfs/dbraw/zinc/47/31/83/1025473183.db2.gz VTLABJQEGBQJKD-UHFFFAOYSA-N -1 0 349.839 4.219 20 0 EIADRM CCCCc1n[n-]c(=NC(=O)Nc2cccc(SCC)c2)s1 ZINC000506742443 1025554151 /nfs/dbraw/zinc/55/41/51/1025554151.db2.gz KRVLDKIFDAYLHM-UHFFFAOYSA-N -1 0 336.486 4.059 20 0 EIADRM COc1cc(C(=O)Nc2cccc(Cl)c2[O-])cc(OC)c1C(C)C ZINC000512003958 1025675938 /nfs/dbraw/zinc/67/59/38/1025675938.db2.gz ZSIMNFWAHICSOD-UHFFFAOYSA-N -1 0 349.814 4.439 20 0 EIADRM C[C@H](N=c1[n-]nc(C(F)F)o1)C(c1ccccc1)c1ccccc1 ZINC000432341479 1025678209 /nfs/dbraw/zinc/67/82/09/1025678209.db2.gz AFHRQZOVVMNFDR-LBPRGKRZSA-N -1 0 329.350 4.062 20 0 EIADRM C[C@@H](NCc1cc(Cl)sc1Cl)c1ncc(C(=O)[O-])s1 ZINC000315446273 1025767795 /nfs/dbraw/zinc/76/77/95/1025767795.db2.gz ZYRXJSFYAOJTBZ-RXMQYKEDSA-N -1 0 337.253 4.060 20 0 EIADRM Cc1ccccc1S(=O)(=O)[N-]c1ncc(-c2ccc(F)cc2)s1 ZINC000432360065 1025769951 /nfs/dbraw/zinc/76/99/51/1025769951.db2.gz VEMJPLBFMMJOEA-UHFFFAOYSA-N -1 0 348.424 4.058 20 0 EIADRM COc1ccc(-c2csc(-c3sccc3C)n2)c2occ([O-])c21 ZINC000519371385 1025783544 /nfs/dbraw/zinc/78/35/44/1025783544.db2.gz LEKXDRIIBNCLKZ-UHFFFAOYSA-N -1 0 343.429 4.431 20 0 EIADRM Cc1c(NC(=O)c2ccc(C(=O)[O-])cc2F)cccc1C(F)(F)F ZINC000432096615 1025808844 /nfs/dbraw/zinc/80/88/44/1025808844.db2.gz GGXOKILQQSPZED-UHFFFAOYSA-N -1 0 341.260 4.103 20 0 EIADRM CC[C@H](C(=O)[N-]S(=O)(=O)C=Cc1ccccc1)c1ccccc1 ZINC000048529523 1025901523 /nfs/dbraw/zinc/90/15/23/1025901523.db2.gz GJNCFXVHERTCJI-CLVCIHKQSA-N -1 0 329.421 4.137 20 0 EIADRM Fc1ccc(CN=c2[n-]nc(-c3cccs3)o2)c(Cl)c1Cl ZINC000432427873 1025914782 /nfs/dbraw/zinc/91/47/82/1025914782.db2.gz GFERAHZYQAYVDU-UHFFFAOYSA-N -1 0 344.198 4.278 20 0 EIADRM CC(=O)c1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1Cl ZINC000543951108 1025929323 /nfs/dbraw/zinc/92/93/23/1025929323.db2.gz QIARQWBRDFLKME-UHFFFAOYSA-N -1 0 349.795 4.090 20 0 EIADRM Cc1cnn(-c2ccc(F)cc2)c1Nc1cc(C)cc(C(=O)[O-])c1 ZINC001211539028 1026062922 /nfs/dbraw/zinc/06/29/22/1026062922.db2.gz BWPCHSYQANFLMH-UHFFFAOYSA-N -1 0 325.343 4.070 20 0 EIADRM CCCN(C(=O)c1cccc(F)c1[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001126318522 1026081539 /nfs/dbraw/zinc/08/15/39/1026081539.db2.gz HCDFMUFQGQDBOG-DLBZAZTESA-N -1 0 349.446 4.121 20 0 EIADRM O=C(c1c([O-])cc(F)cc1F)N(Cc1ccco1)Cc1cccs1 ZINC000124779848 1026274889 /nfs/dbraw/zinc/27/48/89/1026274889.db2.gz XNTOAELBZCZMTD-UHFFFAOYSA-N -1 0 349.358 4.168 20 0 EIADRM CSCc1ccc(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000391051858 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Cc1cnc(Br)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176580851 1052118838 /nfs/dbraw/zinc/11/88/38/1052118838.db2.gz BRNLBQQBIMMSFJ-UHFFFAOYSA-N -1 0 347.212 4.012 20 0 EIADRM O=C([O-])C1(c2ccc(Nc3snnc3-c3ccccc3)cc2)CC1 ZINC001176581320 1052119362 /nfs/dbraw/zinc/11/93/62/1052119362.db2.gz LCGTVRJYZCYDRA-UHFFFAOYSA-N -1 0 337.404 4.065 20 0 EIADRM CCOC(=O)c1cc(C)sc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176582328 1052120262 /nfs/dbraw/zinc/12/02/62/1052120262.db2.gz NJXOFQIMSYIWOD-UHFFFAOYSA-N -1 0 345.420 4.093 20 0 EIADRM O=C([O-])C1(c2ccc(Nc3cc(C(F)(F)F)cnc3F)cc2)CC1 ZINC001176585981 1052121328 /nfs/dbraw/zinc/12/13/28/1052121328.db2.gz AWXVWOSASOEYEF-UHFFFAOYSA-N -1 0 340.276 4.099 20 0 EIADRM O=C([O-])C1(c2ccc(Nc3nc(F)c(F)c(Cl)c3F)cc2)CC1 ZINC001176586680 1052121735 /nfs/dbraw/zinc/12/17/35/1052121735.db2.gz KRBBMUHOHWMFHH-UHFFFAOYSA-N -1 0 342.704 4.012 20 0 EIADRM CC(C)Oc1ccc(F)cc1Nc1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001176588397 1052122685 /nfs/dbraw/zinc/12/26/85/1052122685.db2.gz LPLDMBOOAIQJTE-UHFFFAOYSA-N -1 0 329.371 4.473 20 0 EIADRM O=C([O-])C1(c2ccc(Nc3cccc(O)c3Br)cc2)CC1 ZINC001176588947 1052123375 /nfs/dbraw/zinc/12/33/75/1052123375.db2.gz PXDRBGQAPGAYNM-UHFFFAOYSA-N -1 0 348.196 4.015 20 0 EIADRM COc1ccc(Br)c(Nc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001176592969 1052125389 /nfs/dbraw/zinc/12/53/89/1052125389.db2.gz SCSKJWIFTPCJMB-RUDMXATFSA-N -1 0 348.196 4.299 20 0 EIADRM O=C([O-])C1(c2ccc(Nc3ccc(C(F)(F)F)cc3O)cc2)CC1 ZINC001176590734 1052125567 /nfs/dbraw/zinc/12/55/67/1052125567.db2.gz VIKMTXBQFNBEHS-UHFFFAOYSA-N -1 0 337.297 4.271 20 0 EIADRM COc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)ccc1Br ZINC001176595097 1052127249 /nfs/dbraw/zinc/12/72/49/1052127249.db2.gz GJFZBUUUKXWCBH-RUDMXATFSA-N -1 0 348.196 4.299 20 0 EIADRM CC(C)CCc1nnc(NC(=O)c2c(F)ccc(F)c2Cl)s1 ZINC000622134467 1052127623 /nfs/dbraw/zinc/12/76/23/1052127623.db2.gz FKBIINSCNQDUFE-UHFFFAOYSA-N -1 0 345.802 4.311 20 0 EIADRM COc1cccc(Br)c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176595620 1052127707 /nfs/dbraw/zinc/12/77/07/1052127707.db2.gz NMZKHWGGZPAJQE-JXMROGBWSA-N -1 0 348.196 4.299 20 0 EIADRM O=S(=O)([O-])c1ccc2ccc(Nc3ccccc3Cl)cc2c1 ZINC001176552410 1052129064 /nfs/dbraw/zinc/12/90/64/1052129064.db2.gz ZYJSJMZLHBWIRX-UHFFFAOYSA-N -1 0 333.796 4.484 20 0 EIADRM O=S(=O)([O-])c1cc(O)c(Nc2ccccc2Cl)c2ccccc21 ZINC001176552141 1052129489 /nfs/dbraw/zinc/12/94/89/1052129489.db2.gz OOSVDXJRUDZNMD-UHFFFAOYSA-N -1 0 349.795 4.189 20 0 EIADRM O=C(Nc1ccccc1[S-])c1ccc(C(F)(F)F)c(Cl)n1 ZINC001194395172 1052139071 /nfs/dbraw/zinc/13/90/71/1052139071.db2.gz WRKCQMMTDCBKEX-UHFFFAOYSA-N -1 0 332.734 4.295 20 0 EIADRM COc1cccc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c1 ZINC001194402430 1052141799 /nfs/dbraw/zinc/14/17/99/1052141799.db2.gz AOHNEEMFLQFYDI-UHFFFAOYSA-N -1 0 347.823 4.303 20 0 EIADRM Cc1ccc(O)c([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c1 ZINC001194431913 1052153091 /nfs/dbraw/zinc/15/30/91/1052153091.db2.gz UROACNPTDYYVHN-UHFFFAOYSA-N -1 0 347.823 4.308 20 0 EIADRM CC(C)Oc1ccc(Cl)cc1Nc1ccc(S(=O)(=O)[O-])cc1 ZINC001176644743 1052153323 /nfs/dbraw/zinc/15/33/23/1052153323.db2.gz FESCCPIIMRHBOB-UHFFFAOYSA-N -1 0 341.816 4.118 20 0 EIADRM O=S(=O)([O-])c1ccc2c(cccc2Nc2ccc(Cl)cc2)c1 ZINC001176730068 1052175964 /nfs/dbraw/zinc/17/59/64/1052175964.db2.gz ZNQBPTYQPYBPDF-UHFFFAOYSA-N -1 0 333.796 4.484 20 0 EIADRM CC(C)Oc1ncccc1Nc1ccc(F)c(Br)c1[O-] ZINC001176738358 1052177171 /nfs/dbraw/zinc/17/71/71/1052177171.db2.gz YKDBTSPGVUFBHK-UHFFFAOYSA-N -1 0 341.180 4.220 20 0 EIADRM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC001194642468 1052184171 /nfs/dbraw/zinc/18/41/71/1052184171.db2.gz FSLJZGFBMZUXKK-UHFFFAOYSA-N -1 0 333.453 4.107 20 0 EIADRM Cc1cnn(-c2ccccc2Cl)c1Nc1ccc(C(=O)[O-])cc1 ZINC001176710785 1052185206 /nfs/dbraw/zinc/18/52/06/1052185206.db2.gz NKHXDZFLGSITMW-UHFFFAOYSA-N -1 0 327.771 4.276 20 0 EIADRM O=C([O-])c1ccc(Nc2ccc3cc(Br)cnc3c2)cc1 ZINC001176712139 1052186567 /nfs/dbraw/zinc/18/65/67/1052186567.db2.gz BTOOUTWLOFTLJM-UHFFFAOYSA-N -1 0 343.180 4.439 20 0 EIADRM CCCCOc1c(F)c(F)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC001185390296 1052227824 /nfs/dbraw/zinc/22/78/24/1052227824.db2.gz CCKRRJFMSUWVDY-UHFFFAOYSA-N -1 0 347.408 4.006 20 0 EIADRM CC(C)c1cccc([N-]S(=O)(=O)c2cc3ccccc3s2)n1 ZINC001185425409 1052235734 /nfs/dbraw/zinc/23/57/34/1052235734.db2.gz ORWKZIDYEYLTTM-UHFFFAOYSA-N -1 0 332.450 4.221 20 0 EIADRM O=S(=O)([N-]c1ccnc(C2CCC2)c1)c1cc2ccccc2s1 ZINC001185428708 1052236627 /nfs/dbraw/zinc/23/66/27/1052236627.db2.gz FRVBUXCJSIZZGJ-UHFFFAOYSA-N -1 0 344.461 4.365 20 0 EIADRM O=C(C=C([O-])c1ccccc1Cl)N1CCC[C@@H]1C1CCCCC1 ZINC001185435581 1052237773 /nfs/dbraw/zinc/23/77/73/1052237773.db2.gz NDPJYTQMPOQNJT-QGZVFWFLSA-N -1 0 333.859 4.484 20 0 EIADRM CN(C(=O)C=C([O-])c1ccccc1Cl)[C@@H](C1CCC1)C(F)(F)F ZINC001185436317 1052238173 /nfs/dbraw/zinc/23/81/73/1052238173.db2.gz RKDQXJWFOGIPRI-HNNXBMFYSA-N -1 0 347.764 4.102 20 0 EIADRM CC(C)(CNC(=O)C=C([O-])c1ccccc1Cl)CC(F)(F)F ZINC001185444052 1052239844 /nfs/dbraw/zinc/23/98/44/1052239844.db2.gz LSEZQWLZLZRERX-UHFFFAOYSA-N -1 0 335.753 4.008 20 0 EIADRM O=S(=O)([N-]c1ccc2cccnc2c1)c1cc2ccccc2s1 ZINC001185454606 1052243843 /nfs/dbraw/zinc/24/38/43/1052243843.db2.gz PYNUONFCIYZYSX-UHFFFAOYSA-N -1 0 340.429 4.250 20 0 EIADRM Cc1ccc(C(F)(F)F)cc1NC(=O)c1s[n-]c(=O)c1Cl ZINC000622406513 1052249256 /nfs/dbraw/zinc/24/92/56/1052249256.db2.gz XXWAJKDPUQMJHX-UHFFFAOYSA-N -1 0 336.722 4.082 20 0 EIADRM Cc1cc(S(=O)(=O)Nc2ccnc(C3CCC3)c2)ccc1Cl ZINC001185500041 1052252101 /nfs/dbraw/zinc/25/21/01/1052252101.db2.gz WFQXGHSECUGQBN-UHFFFAOYSA-N -1 0 336.844 4.112 20 0 EIADRM CCCCCN(CCCCC)S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001185506103 1052252468 /nfs/dbraw/zinc/25/24/68/1052252468.db2.gz DLMYXBIJJSTDCD-UHFFFAOYSA-N -1 0 347.908 4.417 20 0 EIADRM Cc1cc(S(=O)(=O)[N-]c2cccc3ncsc32)ccc1Cl ZINC001185524484 1052256287 /nfs/dbraw/zinc/25/62/87/1052256287.db2.gz FYVNLDMRPKOBTC-UHFFFAOYSA-N -1 0 338.841 4.059 20 0 EIADRM CCOc1ccccc1N(C)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000622463394 1052288946 /nfs/dbraw/zinc/28/89/46/1052288946.db2.gz AXESIAJHDPZWCK-UHFFFAOYSA-N -1 0 339.313 4.086 20 0 EIADRM CCCN(C)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1 ZINC000622519168 1052312656 /nfs/dbraw/zinc/31/26/56/1052312656.db2.gz SMWOFSIQVXPOAV-UHFFFAOYSA-N -1 0 336.794 4.283 20 0 EIADRM CN(CC1(c2ccccc2)CC1)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000622540512 1052318933 /nfs/dbraw/zinc/31/89/33/1052318933.db2.gz HSWRTYZDZJHTGY-UHFFFAOYSA-N -1 0 349.352 4.215 20 0 EIADRM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000622666892 1052381079 /nfs/dbraw/zinc/38/10/79/1052381079.db2.gz NZVIBSPINJKJLG-MRXNPFEDSA-N -1 0 333.790 4.470 20 0 EIADRM O=C(Nc1ccc2scnc2c1)c1ccc2[n-]c(=S)oc2c1 ZINC000073248027 1052838157 /nfs/dbraw/zinc/83/81/57/1052838157.db2.gz VQURUYFOWPYITP-UHFFFAOYSA-N -1 0 327.390 4.352 20 0 EIADRM Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccccc1F ZINC000181757802 1052896922 /nfs/dbraw/zinc/89/69/22/1052896922.db2.gz RQAOAVSZRPRWQY-UHFFFAOYSA-N -1 0 348.424 4.058 20 0 EIADRM CCC[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccccn1 ZINC000073388993 1052958120 /nfs/dbraw/zinc/95/81/20/1052958120.db2.gz SVLGKYYWIJMLCC-ZDUSSCGKSA-N -1 0 327.409 4.157 20 0 EIADRM COCOc1ccc(C)c(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)c1 ZINC001214359337 1053012788 /nfs/dbraw/zinc/01/27/88/1053012788.db2.gz DUYLFCPRNMJHRJ-UHFFFAOYSA-N -1 0 347.173 4.268 20 0 EIADRM CC[C@@H](C)Oc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000185434722 1053017646 /nfs/dbraw/zinc/01/76/46/1053017646.db2.gz VGUCZXAQQQMSFE-SECBINFHSA-N -1 0 339.313 4.239 20 0 EIADRM CC(C)CCOC(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001194882021 1053147427 /nfs/dbraw/zinc/14/74/27/1053147427.db2.gz LGPHZVWCKPWXSI-UHFFFAOYSA-N -1 0 336.613 4.403 20 0 EIADRM Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000764551243 1053179824 /nfs/dbraw/zinc/17/98/24/1053179824.db2.gz VHLIZFMKKIVFLE-UHFFFAOYSA-N -1 0 338.860 4.142 20 0 EIADRM CC1(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CCC(F)(F)CC1 ZINC000864099112 1053208752 /nfs/dbraw/zinc/20/87/52/1053208752.db2.gz BKWQNOUKVPPTMM-UHFFFAOYSA-N -1 0 331.746 4.192 20 0 EIADRM Cc1ccc(C(=O)Nc2ccccc2OC(C)(C)C)cc1C(=O)[O-] ZINC000864111048 1053211971 /nfs/dbraw/zinc/21/19/71/1053211971.db2.gz PSEFQDUPPOUADC-UHFFFAOYSA-N -1 0 327.380 4.123 20 0 EIADRM O=C([O-])c1ccc(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)cc1F ZINC000864122603 1053212267 /nfs/dbraw/zinc/21/22/67/1053212267.db2.gz UDUODWZYSJAGCB-ZIAGYGMSSA-N -1 0 327.355 4.046 20 0 EIADRM CC(C)(CC(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(F)cc1 ZINC000864121800 1053214127 /nfs/dbraw/zinc/21/41/27/1053214127.db2.gz KDTRCTACYSZEOR-UHFFFAOYSA-N -1 0 343.398 4.149 20 0 EIADRM C[C@H](CCc1ccc(F)cc1)C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC000864148523 1053214862 /nfs/dbraw/zinc/21/48/62/1053214862.db2.gz IMDMXZJIYMBLOZ-KGLIPLIRSA-N -1 0 343.398 4.221 20 0 EIADRM COc1cccc(Nc2ccc(NC(=O)CCCCC(=O)[O-])cc2)c1 ZINC000864161307 1053215262 /nfs/dbraw/zinc/21/52/62/1053215262.db2.gz OGRPVHULJNWOHB-UHFFFAOYSA-N -1 0 342.395 4.022 20 0 EIADRM O=C([O-])CCc1cccc(NC(=O)CCc2ccc(C(F)F)cc2)c1 ZINC000864135995 1053216271 /nfs/dbraw/zinc/21/62/71/1053216271.db2.gz QKFSDGQCALNDEY-UHFFFAOYSA-N -1 0 347.361 4.213 20 0 EIADRM Cc1ccc(N(CC2CC2)C(=O)CC2CCC(C(=O)[O-])CC2)cc1F ZINC000864178669 1053222521 /nfs/dbraw/zinc/22/25/21/1053222521.db2.gz IQSOTTFSMOQQLG-UHFFFAOYSA-N -1 0 347.430 4.158 20 0 EIADRM O=C([O-])C[C@@H]1CN(C(=O)CC(C2CCC2)C2CCC2)c2ccccc21 ZINC000864228345 1053223501 /nfs/dbraw/zinc/22/35/01/1053223501.db2.gz OBELXLKKCHBZAC-MRXNPFEDSA-N -1 0 341.451 4.198 20 0 EIADRM CCC(=O)c1ccc([O-])c(NC(=O)C(C)=Cc2ccc(F)cc2)c1 ZINC000794607435 1053225713 /nfs/dbraw/zinc/22/57/13/1053225713.db2.gz CHKMXPKNYXLBIX-BENRWUELSA-N -1 0 327.355 4.166 20 0 EIADRM O=C(Nc1ccc(F)c(Br)c1[O-])Oc1ccc(F)cc1 ZINC001195040204 1053236181 /nfs/dbraw/zinc/23/61/81/1053236181.db2.gz LITGKXLKJVPUSI-UHFFFAOYSA-N -1 0 344.111 4.044 20 0 EIADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)no2)c1 ZINC001195116012 1053276282 /nfs/dbraw/zinc/27/62/82/1053276282.db2.gz KJTWZUURMOEBDG-UHFFFAOYSA-N -1 0 336.457 4.187 20 0 EIADRM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ns2)c1 ZINC001195119850 1053279743 /nfs/dbraw/zinc/27/97/43/1053279743.db2.gz BOBPYTQVXPFTAC-UHFFFAOYSA-N -1 0 338.498 4.365 20 0 EIADRM CCC(CC)(CC(=O)Nc1ccc2cc(OC)ccc2c1)C(=O)[O-] ZINC000794694580 1053317033 /nfs/dbraw/zinc/31/70/33/1053317033.db2.gz GIYLMMBMUCBLCB-UHFFFAOYSA-N -1 0 329.396 4.068 20 0 EIADRM Cc1ccc(-c2ccccc2NC(=O)N2CC[C@](C)(C(=O)[O-])C2)s1 ZINC000864606564 1053325071 /nfs/dbraw/zinc/32/50/71/1053325071.db2.gz FLUGLPPKJYECHY-SFHVURJKSA-N -1 0 344.436 4.052 20 0 EIADRM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(Cl)c1[O-] ZINC000775647243 1053327130 /nfs/dbraw/zinc/32/71/30/1053327130.db2.gz SJFXOWLIMLTMQH-JTQLQIEISA-N -1 0 346.839 4.489 20 0 EIADRM COc1ccc([C@H]2CCCN2C(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775646006 1053339874 /nfs/dbraw/zinc/33/98/74/1053339874.db2.gz DVOBVEAREFCTOC-MRXNPFEDSA-N -1 0 331.799 4.032 20 0 EIADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC001195268648 1053354074 /nfs/dbraw/zinc/35/40/74/1053354074.db2.gz XFSUWDGAYKAIIS-UHFFFAOYSA-N -1 0 349.761 4.468 20 0 EIADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC001195268763 1053354468 /nfs/dbraw/zinc/35/44/68/1053354468.db2.gz ZWENYTNSDWRWGT-UHFFFAOYSA-N -1 0 338.841 4.059 20 0 EIADRM CCC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cccc2Cl)cc1 ZINC001195317097 1053373704 /nfs/dbraw/zinc/37/37/04/1053373704.db2.gz OJZRIGRZEBHNRG-UHFFFAOYSA-N -1 0 337.828 4.042 20 0 EIADRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2c[nH]c3ccccc23)cc1F ZINC001195310436 1053374942 /nfs/dbraw/zinc/37/49/42/1053374942.db2.gz FKRIVSXXXFJUMC-UHFFFAOYSA-N -1 0 346.427 4.405 20 0 EIADRM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc2ncsc21 ZINC001195309524 1053375220 /nfs/dbraw/zinc/37/52/20/1053375220.db2.gz LETBIEJYYHTTHX-UHFFFAOYSA-N -1 0 338.841 4.059 20 0 EIADRM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000109688392 1053400816 /nfs/dbraw/zinc/40/08/16/1053400816.db2.gz IESLVAVYTAXGGT-UHFFFAOYSA-N -1 0 345.251 4.313 20 0 EIADRM 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O=C([O-])c1ccc(C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)o1 ZINC000191683138 1042904405 /nfs/dbraw/zinc/90/44/05/1042904405.db2.gz ZSRAKLOHIWSMTQ-GWJCSSMESA-N -1 0 345.420 4.138 20 0 EIADRM CSCc1cnc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)s1 ZINC000417615368 1042906733 /nfs/dbraw/zinc/90/67/33/1042906733.db2.gz XFLVEQWNCIJDSK-NSHDSACASA-N -1 0 336.482 4.196 20 0 EIADRM CCCn1nc(C)c(CNc2ccc(C[C@H](CC)C(=O)[O-])cc2)c1C ZINC000417615362 1042906738 /nfs/dbraw/zinc/90/67/38/1042906738.db2.gz XEIICUZEHXJOKJ-KRWDZBQOSA-N -1 0 343.471 4.175 20 0 EIADRM CC[C@@H](Cc1ccc(NCc2ccnn2C2CCCC2)cc1)C(=O)[O-] ZINC000417612374 1042910956 /nfs/dbraw/zinc/91/09/56/1042910956.db2.gz REIFRODMZVYGNB-INIZCTEOSA-N -1 0 341.455 4.264 20 0 EIADRM O=C([O-])c1ccc(NC(=O)[C@H]2CCCc3ccccc32)cc1Cl ZINC000320542349 1043008704 /nfs/dbraw/zinc/00/87/04/1043008704.db2.gz RBCDHFIPHXWTKY-AWEZNQCLSA-N -1 0 329.783 4.097 20 0 EIADRM CC(C)Sc1ccc(Cl)cc1NC(=O)N(C)CCCC(=O)[O-] ZINC000417749340 1043030488 /nfs/dbraw/zinc/03/04/88/1043030488.db2.gz 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Cc1ccc(Cl)c(OCC(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000672485672 1043242623 /nfs/dbraw/zinc/24/26/23/1043242623.db2.gz WHDRJNQALIFPFY-UHFFFAOYSA-N -1 0 344.169 4.164 20 0 EIADRM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cc(Cl)c([O-])cc2F)o1 ZINC000672486481 1043243009 /nfs/dbraw/zinc/24/30/09/1043243009.db2.gz DRQJTKAEXVMXPW-KOLCDFICSA-N -1 0 337.778 4.472 20 0 EIADRM C[C@@H](CNC(=O)c1cc(O)c2ccccc2c1)COCc1ccccc1 ZINC000527450927 1043260565 /nfs/dbraw/zinc/26/05/65/1043260565.db2.gz VCAAJNXTASGEDD-INIZCTEOSA-N -1 0 349.430 4.128 20 0 EIADRM Clc1oc2ccccc2c1CN=c1[n-]nc(Cc2ccsc2)o1 ZINC000347867153 1043262135 /nfs/dbraw/zinc/26/21/35/1043262135.db2.gz CUANDFQRRUSPMA-UHFFFAOYSA-N -1 0 345.811 4.156 20 0 EIADRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000543536620 1043272300 /nfs/dbraw/zinc/27/23/00/1043272300.db2.gz PTJYPLRWHNBZLL-GWCFXTLKSA-N -1 0 329.362 4.144 20 0 EIADRM Cc1sc2ccc(Cl)cc2c1S(=O)(=O)[N-]c1ccccn1 ZINC000441825636 1043320968 /nfs/dbraw/zinc/32/09/68/1043320968.db2.gz 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Cc1ccc(-c2nc(CC(=O)Nc3cc(Cl)ccc3O)cs2)o1 ZINC000067145548 1043870563 /nfs/dbraw/zinc/87/05/63/1043870563.db2.gz DBTPKUGTLRHZIL-UHFFFAOYSA-N -1 0 348.811 4.252 20 0 EIADRM CCN(Cc1ccccc1C)C(=O)c1cc(Cl)c(O)c(OC)c1 ZINC000442854586 1043874707 /nfs/dbraw/zinc/87/47/07/1043874707.db2.gz KUHSYMILOMCLOA-UHFFFAOYSA-N -1 0 333.815 4.025 20 0 EIADRM CC[C@](C)(CC(=O)[O-])NC(=O)c1oc2c(ccc3ccccc23)c1C ZINC000761652481 1043884179 /nfs/dbraw/zinc/88/41/79/1043884179.db2.gz TXVOEERIHZXJOY-HXUWFJFHSA-N -1 0 339.391 4.268 20 0 EIADRM CC(C)CC1(C)CCN(C(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000494736895 1043983282 /nfs/dbraw/zinc/98/32/82/1043983282.db2.gz FCZCDCQIUJTOFG-UHFFFAOYSA-N -1 0 329.362 4.098 20 0 EIADRM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC[C@@H]2/C=C\c2cccs2)C1 ZINC000521832406 1044002849 /nfs/dbraw/zinc/00/28/49/1044002849.db2.gz RVKJXRGBHORECB-HXNYNQIDSA-N -1 0 347.480 4.033 20 0 EIADRM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000733002670 1044056683 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C[C@H](Cc1ccc(NCc2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000417610893 1023371856 /nfs/dbraw/zinc/37/18/56/1023371856.db2.gz ODULALPBSCXGOA-GFCCVEGCSA-N -1 0 335.350 4.163 20 0 EIADRM C[C@@H](Cc1ccc(NCc2cnc(C(C)(C)C)s2)cc1)C(=O)[O-] ZINC000417607326 1023371871 /nfs/dbraw/zinc/37/18/71/1023371871.db2.gz GGGMUENIYAEWJD-LBPRGKRZSA-N -1 0 332.469 4.316 20 0 EIADRM C[C@@H](CC(=O)[O-])c1ccc(NCc2ccc(Br)o2)cc1 ZINC000417609845 1023372683 /nfs/dbraw/zinc/37/26/83/1023372683.db2.gz LVISFEUNZAQMIL-JTQLQIEISA-N -1 0 338.201 4.232 20 0 EIADRM Cc1nc(-c2ccccc2)sc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000183554844 1023376689 /nfs/dbraw/zinc/37/66/89/1023376689.db2.gz QUEKJIODKAYSGL-UHFFFAOYSA-N -1 0 346.358 4.355 20 0 EIADRM COc1ccc2oc(CNc3ccc(C(C)(C)C(=O)[O-])cc3)cc2c1 ZINC000417633937 1023384918 /nfs/dbraw/zinc/38/49/18/1023384918.db2.gz YIDDSBBGFJISDI-UHFFFAOYSA-N -1 0 339.391 4.416 20 0 EIADRM C[C@H]1CCc2nc(CNc3ccccc3CCCC(=O)[O-])sc2C1 ZINC000417628476 1023388173 /nfs/dbraw/zinc/38/81/73/1023388173.db2.gz UVZFKUSGCTYOFC-ZDUSSCGKSA-N -1 0 344.480 4.287 20 0 EIADRM CCOc1ccc(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1F ZINC000417644794 1023394240 /nfs/dbraw/zinc/39/42/40/1023394240.db2.gz CDFPCINMXXHIHQ-LBPRGKRZSA-N -1 0 349.427 4.402 20 0 EIADRM CC(C)c1cnc(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)s1 ZINC000417661169 1023395520 /nfs/dbraw/zinc/39/55/20/1023395520.db2.gz RQKKCEFHALUJHE-LLVKDONJSA-N -1 0 336.482 4.444 20 0 EIADRM Cc1c(C(=O)/C=C/c2cccc(C(=O)[O-])c2Cl)cnn1C(C)C ZINC000188884723 1023541260 /nfs/dbraw/zinc/54/12/60/1023541260.db2.gz INMSHFWNMRAOGO-BQYQJAHWSA-N -1 0 332.787 4.020 20 0 EIADRM CCC1(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCC(F)(F)CC1 ZINC000656851972 1023589479 /nfs/dbraw/zinc/58/94/79/1023589479.db2.gz SSSPMIVMYZBTNJ-UHFFFAOYSA-N -1 0 329.318 4.068 20 0 EIADRM Cc1cccnc1C(F)(F)C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000192574021 1023630543 /nfs/dbraw/zinc/63/05/43/1023630543.db2.gz MWHAOHGJNBASLB-SNVBAGLBSA-N -1 0 342.748 4.152 20 0 EIADRM CCc1oc(C(=O)NC2(c3ccccc3)CCCCC2)cc1C(=O)[O-] ZINC000581738875 1023661510 /nfs/dbraw/zinc/66/15/10/1023661510.db2.gz GEMGEEJHUHBQDC-UHFFFAOYSA-N -1 0 341.407 4.130 20 0 EIADRM COc1ccc(Nc2ccc(C(=O)[O-])c(C)c2)cc1C(F)(F)F ZINC001211657476 1023705822 /nfs/dbraw/zinc/70/58/22/1023705822.db2.gz PCUQLJXTYVBVNL-UHFFFAOYSA-N -1 0 325.286 4.464 20 0 EIADRM COc1cc(Nc2ccc(C(=O)[O-])c(C)c2)cc(C(F)(F)F)c1 ZINC001211657623 1023730050 /nfs/dbraw/zinc/73/00/50/1023730050.db2.gz RTKKXITXFATUTO-UHFFFAOYSA-N -1 0 325.286 4.464 20 0 EIADRM Cc1noc(C)c1CN(C)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000177047734 1023739817 /nfs/dbraw/zinc/73/98/17/1023739817.db2.gz WFSLCLZVJBBIJF-UHFFFAOYSA-N -1 0 344.798 4.076 20 0 EIADRM Cc1c(NC(=O)CC2CCC(C(=O)[O-])CC2)cccc1C(F)(F)F ZINC000581826898 1023740357 /nfs/dbraw/zinc/74/03/57/1023740357.db2.gz ULLWPKXPQMTTHV-UHFFFAOYSA-N -1 0 343.345 4.233 20 0 EIADRM CN(Cc1csc2ccccc12)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000580332413 1023754962 /nfs/dbraw/zinc/75/49/62/1023754962.db2.gz SNQOTOBFBALAPL-UHFFFAOYSA-N -1 0 345.464 4.141 20 0 EIADRM CO[C@@H](C)c1nc(=Nc2ccc(NCC3CCCC3)cc2)s[n-]1 ZINC000509729060 1023782361 /nfs/dbraw/zinc/78/23/61/1023782361.db2.gz OJHJSMJJQNPRBA-LBPRGKRZSA-N -1 0 332.473 4.013 20 0 EIADRM C[C@@H](Cc1ccc(NC(=O)c2occc2-c2ccccc2)cc1)C(=O)[O-] ZINC000431995720 1023827683 /nfs/dbraw/zinc/82/76/83/1023827683.db2.gz OIZCIXWHGGGPKF-AWEZNQCLSA-N -1 0 349.386 4.462 20 0 EIADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cnc2ccccc2c1C ZINC000431996415 1023827770 /nfs/dbraw/zinc/82/77/70/1023827770.db2.gz WNCQSBAKHHOHNW-UHFFFAOYSA-N -1 0 334.375 4.111 20 0 EIADRM CCc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H](C)CC)cc2)s1 ZINC000511682241 1023828423 /nfs/dbraw/zinc/82/84/23/1023828423.db2.gz OEPFIVPCTXKEPP-LBPRGKRZSA-N -1 0 339.482 4.289 20 0 EIADRM Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000432000523 1023829933 /nfs/dbraw/zinc/82/99/33/1023829933.db2.gz NGGIYFDWGUZYCL-CVEARBPZSA-N -1 0 339.435 4.391 20 0 EIADRM C[C@@H](Cc1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1)C(=O)[O-] ZINC000432003104 1023830179 /nfs/dbraw/zinc/83/01/79/1023830179.db2.gz OBGVQLFVMICUTO-KBPBESRZSA-N -1 0 343.448 4.069 20 0 EIADRM C[C@@H](Cc1ccc(NC(=O)C/C=C\c2cccc(F)c2)cc1)C(=O)[O-] ZINC000432004662 1023831418 /nfs/dbraw/zinc/83/14/18/1023831418.db2.gz BWTQZDUABJWGMC-MFBWXBCUSA-N -1 0 341.382 4.131 20 0 EIADRM CCc1oc(C(=O)[O-])cc1CN(C)[C@H](C)c1nc2ccccc2s1 ZINC000581889266 1023833325 /nfs/dbraw/zinc/83/33/25/1023833325.db2.gz NDJHKEGYNAFKMP-LLVKDONJSA-N -1 0 344.436 4.343 20 0 EIADRM CC[C@H](CC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)[O-])c1ccc(C)cc1 ZINC000432119339 1023885046 /nfs/dbraw/zinc/88/50/46/1023885046.db2.gz DIKBGDIPMSUUNR-SYNHAJSKSA-N -1 0 331.456 4.028 20 0 EIADRM CC(C)c1n[n-]c(=NCC[C@H](c2ccccc2)C(F)(F)F)s1 ZINC000432151121 1023902631 /nfs/dbraw/zinc/90/26/31/1023902631.db2.gz PXLITIYCLWJSAB-GFCCVEGCSA-N -1 0 329.391 4.232 20 0 EIADRM Cc1cc(Nc2ccc(OC3CCOCC3)c(F)c2)ccc1C(=O)[O-] ZINC001211660576 1023929655 /nfs/dbraw/zinc/92/96/55/1023929655.db2.gz ARBDSPDCDMFRHD-UHFFFAOYSA-N -1 0 345.370 4.134 20 0 EIADRM Cc1cc(Nc2ccc(F)c(Br)c2O)ccc1C(=O)[O-] ZINC001211660759 1023939262 /nfs/dbraw/zinc/93/92/62/1023939262.db2.gz JSMZDHRDWPDDDN-UHFFFAOYSA-N -1 0 340.148 4.044 20 0 EIADRM Cc1cnc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)c(C)c1 ZINC001213355842 1023944007 /nfs/dbraw/zinc/94/40/07/1023944007.db2.gz AGBQVJATYZCQNZ-UHFFFAOYSA-N -1 0 340.433 4.314 20 0 EIADRM O=S(=O)([N-]c1ccsc1)c1csc2ccc(Cl)cc21 ZINC000432191581 1023971449 /nfs/dbraw/zinc/97/14/49/1023971449.db2.gz JMKCOVRINZLOAT-UHFFFAOYSA-N -1 0 329.855 4.417 20 0 EIADRM CC(C)Oc1ccccc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213190074 1024010095 /nfs/dbraw/zinc/01/00/95/1024010095.db2.gz SEEJUCBILROAQN-UHFFFAOYSA-N -1 0 342.395 4.021 20 0 EIADRM CCOC(=O)Cc1ccc(Cl)c(Nc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001211663489 1024131514 /nfs/dbraw/zinc/13/15/14/1024131514.db2.gz MEUPEGJIODCFDO-UHFFFAOYSA-N -1 0 347.798 4.196 20 0 EIADRM Cc1cc(Nc2c(N)cc(F)cc2C(F)(F)F)ccc1C(=O)[O-] ZINC001211663607 1024156469 /nfs/dbraw/zinc/15/64/69/1024156469.db2.gz RXSVLLQLBOUDCC-UHFFFAOYSA-N -1 0 328.265 4.177 20 0 EIADRM Clc1ccc(-c2ccc(CN=c3[n-]ncs3)o2)cc1Cl ZINC000540808170 1024322790 /nfs/dbraw/zinc/32/27/90/1024322790.db2.gz AKVDQPCJRQPVPX-UHFFFAOYSA-N -1 0 326.208 4.139 20 0 EIADRM CCc1onc(C)c1NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000091696590 1024351446 /nfs/dbraw/zinc/35/14/46/1024351446.db2.gz FIMJCMJBJKZVSX-UHFFFAOYSA-N -1 0 330.771 4.310 20 0 EIADRM Cc1c2ccccc2oc1[C@@H](C)N=c1[n-]nc(C2CCOCC2)s1 ZINC000549561760 1024371888 /nfs/dbraw/zinc/37/18/88/1024371888.db2.gz VNCBXKATTRUOSU-GFCCVEGCSA-N -1 0 343.452 4.082 20 0 EIADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000184215111 1024460185 /nfs/dbraw/zinc/46/01/85/1024460185.db2.gz SYHPQYAJILMSCY-AWEZNQCLSA-N -1 0 333.790 4.032 20 0 EIADRM CCCCCOc1ccc([C@H](C)N=c2[n-]nc(C3CC3)o2)cc1OC ZINC000341725258 1024508964 /nfs/dbraw/zinc/50/89/64/1024508964.db2.gz YCXJNZUQLGEMOO-ZDUSSCGKSA-N -1 0 345.443 4.120 20 0 EIADRM CC(C)Oc1ccccc1[C@H](C)NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000048383581 1024512897 /nfs/dbraw/zinc/51/28/97/1024512897.db2.gz CROXGRKCBXEZLU-HNNXBMFYSA-N -1 0 347.455 4.076 20 0 EIADRM Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473398030 1033221100 /nfs/dbraw/zinc/22/11/00/1033221100.db2.gz FHFADWXWNIPIHV-UHFFFAOYSA-N -1 0 334.199 4.242 20 0 EIADRM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1C ZINC000663055013 1024678933 /nfs/dbraw/zinc/67/89/33/1024678933.db2.gz SUDGFKXPWANUMM-GBESFXJTSA-N -1 0 349.430 4.012 20 0 EIADRM Cc1oc([C@H](C)N(C)Cc2nc3ccccc3s2)cc1C(=O)[O-] ZINC000652380844 1024786748 /nfs/dbraw/zinc/78/67/48/1024786748.db2.gz NNJLNININAUVJX-JTQLQIEISA-N -1 0 330.409 4.089 20 0 EIADRM C[C@@H](c1nc2ccccc2s1)N(C)Cc1ccsc1C(=O)[O-] ZINC000652397094 1024806176 /nfs/dbraw/zinc/80/61/76/1024806176.db2.gz SSXVXARPOUFPEA-JTQLQIEISA-N -1 0 332.450 4.249 20 0 EIADRM C[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)[C@@H](C)C(=O)[O-] ZINC000132548122 1024811019 /nfs/dbraw/zinc/81/10/19/1024811019.db2.gz HHFGLGAOQDMQGO-RNFRBKRXSA-N -1 0 346.235 4.047 20 0 EIADRM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000471959556 1024815944 /nfs/dbraw/zinc/81/59/44/1024815944.db2.gz WJUWVQPXZFMSRD-UHFFFAOYSA-N -1 0 341.885 4.480 20 0 EIADRM Cc1ccc(S(=O)(=O)[N-]c2ncsc2C(C)C)c(Cl)c1 ZINC000581995583 1024822782 /nfs/dbraw/zinc/82/27/82/1024822782.db2.gz RCDVJBKPYGXFFH-UHFFFAOYSA-N -1 0 330.862 4.029 20 0 EIADRM O=S(=O)([N-]c1cccc2ccsc21)c1c[nH]c2cccc(F)c21 ZINC000471972022 1024842488 /nfs/dbraw/zinc/84/24/88/1024842488.db2.gz YHGBUGFUVCVGPT-UHFFFAOYSA-N -1 0 346.408 4.323 20 0 EIADRM Fc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(Cl)cc1 ZINC000254488214 1024939364 /nfs/dbraw/zinc/93/93/64/1024939364.db2.gz JLCHEWZWKAZHGQ-UHFFFAOYSA-N -1 0 332.791 4.282 20 0 EIADRM CCN(Cc1csc(-c2ccc(C(C)C)cc2)n1)[C@@H](C)C(=O)[O-] ZINC000662216955 1024970629 /nfs/dbraw/zinc/97/06/29/1024970629.db2.gz REODIYCQKFUSLQ-ZDUSSCGKSA-N -1 0 332.469 4.229 20 0 EIADRM Cc1cc(S(=O)(=O)Nc2ccc(-c3ccc[nH]3)cc2)c(C)s1 ZINC000341948682 1025006603 /nfs/dbraw/zinc/00/66/03/1025006603.db2.gz VJVNLJJUEXPHIH-UHFFFAOYSA-N -1 0 332.450 4.161 20 0 EIADRM Cc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)c2cccnc2c1C ZINC000186839066 1025109420 /nfs/dbraw/zinc/10/94/20/1025109420.db2.gz FCNCDMIXXDSSLJ-UHFFFAOYSA-N -1 0 328.318 4.088 20 0 EIADRM Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c(C)c1 ZINC000236636203 1025265257 /nfs/dbraw/zinc/26/52/57/1025265257.db2.gz LDOLZMMIWRYXKW-UHFFFAOYSA-N -1 0 327.380 4.041 20 0 EIADRM CC(C)Sc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000236630248 1025265661 /nfs/dbraw/zinc/26/56/61/1025265661.db2.gz IDIPSTUCLNQHHF-KRWDZBQOSA-N -1 0 343.448 4.133 20 0 EIADRM O=C(Cc1cc2c(ccc3ccccc23)o1)[N-]OCCC(F)(F)F ZINC000162933482 1025270947 /nfs/dbraw/zinc/27/09/47/1025270947.db2.gz JMADBJIPIUZNHK-UHFFFAOYSA-N -1 0 337.297 4.129 20 0 EIADRM CC(C)CC(C)(C)CNC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000236660588 1025271798 /nfs/dbraw/zinc/27/17/98/1025271798.db2.gz STKZVWJNELJLHW-ZDUSSCGKSA-N -1 0 337.485 4.054 20 0 EIADRM O=C([O-])c1c(Cl)cccc1-c1cccc(CO[C@H]2CCOC2)c1 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QJSMBIVMHYGFRZ-UHFFFAOYSA-N -1 0 339.844 4.236 20 0 EIADRM CC(=O)c1ccc([O-])c(NC(=O)C[C@@H](C)c2c[nH]c3ccccc32)c1 ZINC000427089114 1026718876 /nfs/dbraw/zinc/71/88/76/1026718876.db2.gz XKJVQWDZQRPFJI-GFCCVEGCSA-N -1 0 336.391 4.208 20 0 EIADRM CC(C)C[C@H](C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000236733511 1026724638 /nfs/dbraw/zinc/72/46/38/1026724638.db2.gz AKNOSCPFDNJZLP-NHYWBVRUSA-N -1 0 343.826 4.183 20 0 EIADRM Cc1cn(-c2ccc(Nc3cc(C)cc(C(=O)[O-])c3)cc2F)cn1 ZINC001211547194 1026727965 /nfs/dbraw/zinc/72/79/65/1026727965.db2.gz JQDOMXOYMJRHFD-UHFFFAOYSA-N -1 0 325.343 4.070 20 0 EIADRM CC[C@H](C)c1ccc([C@H](NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])C(C)C)cc1 ZINC000507351739 1026757088 /nfs/dbraw/zinc/75/70/88/1026757088.db2.gz FUNCEWFVAQFHSP-HNONPPJISA-N -1 0 331.456 4.124 20 0 EIADRM Cc1c(NC(=O)CC2CCC(C(=O)[O-])CC2)sc2c1CCCC2 ZINC000582548703 1026780729 /nfs/dbraw/zinc/78/07/29/1026780729.db2.gz UHCXJXMVZNZFQP-UHFFFAOYSA-N -1 0 335.469 4.155 20 0 EIADRM 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CCn1nc(CNc2ccccc2CCCC(=O)[O-])c2ccccc21 ZINC000327673581 1027334165 /nfs/dbraw/zinc/33/41/65/1027334165.db2.gz AOFBVLOTXAPIJU-UHFFFAOYSA-N -1 0 337.423 4.076 20 0 EIADRM Cc1ccsc1-c1nc(=NC(=O)CCCc2cccs2)s[n-]1 ZINC000472261129 1027352333 /nfs/dbraw/zinc/35/23/33/1027352333.db2.gz VBHLVVBEHHENDO-UHFFFAOYSA-N -1 0 349.506 4.020 20 0 EIADRM C[C@H](c1cccc(Cl)c1)N(C)C(=O)CCc1ccccc1C(=O)[O-] ZINC000262262553 1027375319 /nfs/dbraw/zinc/37/53/19/1027375319.db2.gz XAYZYFFGPXISEC-CYBMUJFWSA-N -1 0 345.826 4.190 20 0 EIADRM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000013440058 1027433121 /nfs/dbraw/zinc/43/31/21/1027433121.db2.gz FGAGVTTWHXCUIW-NSHDSACASA-N -1 0 349.839 4.086 20 0 EIADRM O=C([O-])Cc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1 ZINC000013438759 1027434250 /nfs/dbraw/zinc/43/42/50/1027434250.db2.gz QEZXGNCFCZIIHZ-UHFFFAOYSA-N -1 0 343.448 4.287 20 0 EIADRM Cc1sc([C@@H]2CCCN2c2ccnc3ccsc32)nc1C(=O)[O-] ZINC000520412324 1027523782 /nfs/dbraw/zinc/52/37/82/1027523782.db2.gz 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20 0 EIADRM O=C([O-])c1cccc(C(=O)N(CCc2ccccc2)C2CCCC2)c1 ZINC000238201071 1049047925 /nfs/dbraw/zinc/04/79/25/1049047925.db2.gz SQTGMWCUHHLNDJ-UHFFFAOYSA-N -1 0 337.419 4.012 20 0 EIADRM CCC(=O)c1cccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c1 ZINC000135059815 1049062000 /nfs/dbraw/zinc/06/20/00/1049062000.db2.gz XPHLHOICPQOGGR-UHFFFAOYSA-N -1 0 331.412 4.033 20 0 EIADRM O=C(Nc1ccccc1CC(F)(F)F)c1ccc(Cl)c([O-])c1 ZINC001147113939 1049087743 /nfs/dbraw/zinc/08/77/43/1049087743.db2.gz TYAGJSMFYZZPGI-UHFFFAOYSA-N -1 0 329.705 4.403 20 0 EIADRM O=C(Nc1ccc(F)c(Br)c1)c1ccc([O-])c(Cl)c1 ZINC000135391422 1049143905 /nfs/dbraw/zinc/14/39/05/1049143905.db2.gz LJAJWABATRAVPN-UHFFFAOYSA-N -1 0 344.567 4.200 20 0 EIADRM CCc1ccc(N(CC)C(=O)c2cccc(Br)c2[O-])cc1 ZINC001136169209 1049219639 /nfs/dbraw/zinc/21/96/39/1049219639.db2.gz DIGBMSCSHGXCTP-UHFFFAOYSA-N -1 0 348.240 4.384 20 0 EIADRM CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001136190814 1049270479 /nfs/dbraw/zinc/27/04/79/1049270479.db2.gz PYWNNIXNYYTEFH-DYVFJYSZSA-N -1 0 341.407 4.163 20 0 EIADRM CCCOc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)c1 ZINC000811814946 1049292247 /nfs/dbraw/zinc/29/22/47/1049292247.db2.gz DCGWPKRZMPZYFC-UHFFFAOYSA-N -1 0 347.798 4.388 20 0 EIADRM O=C([O-])c1ccc(Cl)c(C(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000811814336 1049292363 /nfs/dbraw/zinc/29/23/63/1049292363.db2.gz UUKICHZHJLPBLE-ZDUSSCGKSA-N -1 0 335.812 4.077 20 0 EIADRM C[C@@]1(NC(=O)c2cc(C(=O)[O-])ccc2Cl)CCCc2ccccc21 ZINC000811819702 1049296786 /nfs/dbraw/zinc/29/67/86/1049296786.db2.gz GNDBKRIZXSHHJE-LJQANCHMSA-N -1 0 343.810 4.020 20 0 EIADRM O=C(Nc1ccccc1[S-])c1ccc(C(=O)c2ccccc2)cc1 ZINC001148290781 1049298005 /nfs/dbraw/zinc/29/80/05/1049298005.db2.gz VISTWIJLWXUWBA-UHFFFAOYSA-N -1 0 333.412 4.459 20 0 EIADRM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000811823812 1049298337 /nfs/dbraw/zinc/29/83/37/1049298337.db2.gz WXWVSZUWXAZRRG-GTNSWQLSSA-N -1 0 343.810 4.092 20 0 EIADRM O=C(Nc1cccc(-n2ccnc2)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001136270303 1049379018 /nfs/dbraw/zinc/37/90/18/1049379018.db2.gz OKSXNHNUIVXALJ-UHFFFAOYSA-N -1 0 348.189 4.137 20 0 EIADRM O=C(Nc1cccc2c1C(=O)CCC2)c1ccc(C(F)(F)F)cc1[O-] ZINC001148800875 1049382671 /nfs/dbraw/zinc/38/26/71/1049382671.db2.gz KWMAYYZGOWRQSD-UHFFFAOYSA-N -1 0 349.308 4.182 20 0 EIADRM CC(C)c1cccnc1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805054 1049382785 /nfs/dbraw/zinc/38/27/85/1049382785.db2.gz DEBUXXXGHIUHCQ-UHFFFAOYSA-N -1 0 325.195 4.470 20 0 EIADRM O=C(NCc1ccccc1OC1CCCC1)c1ccc(Cl)c([O-])c1 ZINC001136317286 1049469567 /nfs/dbraw/zinc/46/95/67/1049469567.db2.gz JDOWLUWMSNZZMN-UHFFFAOYSA-N -1 0 345.826 4.297 20 0 EIADRM O=C(Nc1ccc(N2CCCC2)c(F)c1)c1ccc(Cl)c([O-])c1 ZINC001136322975 1049474421 /nfs/dbraw/zinc/47/44/21/1049474421.db2.gz MOUQBMNCFWRFHQ-UHFFFAOYSA-N -1 0 334.778 4.037 20 0 EIADRM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CCCCC(=O)[O-])cc1 ZINC000263275225 1049476756 /nfs/dbraw/zinc/47/67/56/1049476756.db2.gz ISMZLTISUMTVSH-KRWDZBQOSA-N -1 0 331.456 4.293 20 0 EIADRM O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1c([O-])cccc1Cl ZINC001136338283 1049500688 /nfs/dbraw/zinc/50/06/88/1049500688.db2.gz NPRXGMAVXDUNDS-UHFFFAOYSA-N -1 0 333.819 4.144 20 0 EIADRM O=C(c1s[n-]c(=O)c1Cl)N(Cc1ccccc1)c1ccccc1 ZINC001136346265 1049517168 /nfs/dbraw/zinc/51/71/68/1049517168.db2.gz CTMHNCYEJUKCSK-UHFFFAOYSA-N -1 0 344.823 4.349 20 0 EIADRM CN(CCc1cccs1)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000080032284 1049547504 /nfs/dbraw/zinc/54/75/04/1049547504.db2.gz JMWAEQPQSGTCKO-UHFFFAOYSA-N -1 0 330.236 4.075 20 0 EIADRM O=C([N-]OC1CCC1)[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC000812792919 1049593450 /nfs/dbraw/zinc/59/34/50/1049593450.db2.gz LFPVGAYKTXUNMD-QGZVFWFLSA-N -1 0 349.402 4.399 20 0 EIADRM Cc1ccccc1COc1cccc(NC(=O)CCCCC(=O)[O-])c1 ZINC000263304335 1049629458 /nfs/dbraw/zinc/62/94/58/1049629458.db2.gz OBHWUBQRMGSLRG-UHFFFAOYSA-N -1 0 341.407 4.158 20 0 EIADRM O=C([O-])CCCCNC(=O)c1sc2cccc(Cl)c2c1Cl ZINC000773225877 1049669421 /nfs/dbraw/zinc/66/94/21/1049669421.db2.gz LMXSNOPEMVSFRN-UHFFFAOYSA-N -1 0 346.235 4.193 20 0 EIADRM Cc1ccc(NC(=O)/C=C/c2cnc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC000237654892 1049686128 /nfs/dbraw/zinc/68/61/28/1049686128.db2.gz NFYNDIIKPHXDQX-BQYQJAHWSA-N -1 0 344.436 4.099 20 0 EIADRM CC[C@@H](CNC(=O)c1cccc(Br)c1[O-])c1ccccc1 ZINC001136513719 1049710810 /nfs/dbraw/zinc/71/08/10/1049710810.db2.gz HSRJAGPJHLDIBO-LBPRGKRZSA-N -1 0 348.240 4.078 20 0 EIADRM CC1(CC(F)(F)F)CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000822158352 1049737475 /nfs/dbraw/zinc/73/74/75/1049737475.db2.gz HIHVPJKCUWNWFA-UHFFFAOYSA-N -1 0 342.144 4.114 20 0 EIADRM O=C(Nc1cc(Cl)cc(Cl)c1[O-])[C@H](O)c1ccc(Cl)cc1 ZINC000813506704 1049786117 /nfs/dbraw/zinc/78/61/17/1049786117.db2.gz MHGZVFUDSHIGBV-GFCCVEGCSA-N -1 0 346.597 4.025 20 0 EIADRM CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000180016640 1049828447 /nfs/dbraw/zinc/82/84/47/1049828447.db2.gz KXYWAKQLJFKQOZ-ZOBUZTSGSA-N -1 0 347.455 4.177 20 0 EIADRM CC(C)C[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1cccs1 ZINC000616022216 1049830336 /nfs/dbraw/zinc/83/03/36/1049830336.db2.gz BKEWCLQQOTXRBD-JKSUJKDBSA-N -1 0 345.464 4.210 20 0 EIADRM Cc1cnc(C(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)c([O-])c1 ZINC001136735889 1049855115 /nfs/dbraw/zinc/85/51/15/1049855115.db2.gz MBQKQDXQNBVSSY-UHFFFAOYSA-N -1 0 339.395 4.078 20 0 EIADRM O=C([O-])CCCCCCCNC(=O)c1ccc(Cl)cc1Cl ZINC000238105822 1049874747 /nfs/dbraw/zinc/87/47/47/1049874747.db2.gz MGCLHEJCOKABLO-UHFFFAOYSA-N -1 0 332.227 4.148 20 0 EIADRM CCc1oc(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)cc1C(=O)[O-] ZINC000263580544 1050075253 /nfs/dbraw/zinc/07/52/53/1050075253.db2.gz WBMCIJHYRAQIST-AWEZNQCLSA-N -1 0 341.407 4.330 20 0 EIADRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)c1cccs1 ZINC000069475885 1050115267 /nfs/dbraw/zinc/11/52/67/1050115267.db2.gz GRLJRGQAPZQOSN-UHFFFAOYSA-N -1 0 337.466 4.048 20 0 EIADRM C[C@@H](S[C@H](C)C(=O)Nc1cccc(Oc2ccccc2)c1)C(=O)[O-] ZINC000618023703 1050178587 /nfs/dbraw/zinc/17/85/87/1050178587.db2.gz PJHDMDFTTIKBPK-CHWSQXEVSA-N -1 0 345.420 4.012 20 0 EIADRM Cc1c(Cl)cc(NC(=O)/C=C/c2nccs2)c([O-])c1Cl ZINC001177523873 1050238442 /nfs/dbraw/zinc/23/84/42/1050238442.db2.gz PNAPIHUHPONKSR-NSCUHMNNSA-N -1 0 329.208 4.116 20 0 EIADRM COc1ccccc1CNC(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001186136282 1050246087 /nfs/dbraw/zinc/24/60/87/1050246087.db2.gz WTMMYKGUECCNMX-UHFFFAOYSA-N -1 0 341.194 4.029 20 0 EIADRM O=C(c1cccc([S-])c1)N1CC[C@@H](c2ccccc2)C(F)(F)C1 ZINC001186153164 1050251001 /nfs/dbraw/zinc/25/10/01/1050251001.db2.gz XPSPHMXWCGGHTA-INIZCTEOSA-N -1 0 333.403 4.240 20 0 EIADRM O=C(N[C@H]1CC[C@@H](OCc2ccccc2)CC1)c1cccc([S-])c1 ZINC001186167340 1050261348 /nfs/dbraw/zinc/26/13/48/1050261348.db2.gz MVLULFXPNKZTIH-HDICACEKSA-N -1 0 341.476 4.233 20 0 EIADRM CSC1(CNC(=O)c2cccc(C(F)(F)F)c2[O-])CCCCC1 ZINC001178015698 1050355159 /nfs/dbraw/zinc/35/51/59/1050355159.db2.gz DCUHOMYNHGGTNK-UHFFFAOYSA-N -1 0 347.402 4.207 20 0 EIADRM CC(C)(Cc1cccnc1)C(=O)Nc1c(Cl)ccc([O-])c1Cl ZINC001178060848 1050366294 /nfs/dbraw/zinc/36/62/94/1050366294.db2.gz FMLKFZQRSINMHD-UHFFFAOYSA-N -1 0 339.222 4.301 20 0 EIADRM O=C([O-])c1ccc(-c2ccc(CC(=O)Oc3ccccc3)cc2)cc1 ZINC001250259652 1050398290 /nfs/dbraw/zinc/39/82/90/1050398290.db2.gz LLUSKSDRNGHEDF-UHFFFAOYSA-N -1 0 332.355 4.200 20 0 EIADRM O=C(Nc1cncc(-c2ccccc2)c1)c1cc(F)c(F)c([O-])c1F ZINC001186771476 1050412051 /nfs/dbraw/zinc/41/20/51/1050412051.db2.gz YSYJLYBOHDCERV-UHFFFAOYSA-N -1 0 344.292 4.124 20 0 EIADRM CSc1ccc(-c2cccc([N-]S(=O)(=O)c3ccco3)c2)cc1 ZINC001186863021 1050440443 /nfs/dbraw/zinc/44/04/43/1050440443.db2.gz HKVNZHXXKDQSOH-UHFFFAOYSA-N -1 0 345.445 4.469 20 0 EIADRM Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3ccco3)c2)cc1 ZINC001186863390 1050440579 /nfs/dbraw/zinc/44/05/79/1050440579.db2.gz NLDQEWKCYZJIPI-UHFFFAOYSA-N -1 0 329.377 4.181 20 0 EIADRM CCCc1occc1C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000450514677 1050454408 /nfs/dbraw/zinc/45/44/08/1050454408.db2.gz DULPMUCDRUEWEY-UHFFFAOYSA-N -1 0 349.433 4.137 20 0 EIADRM CC(=O)c1cc(F)c([O-])c(NC(=O)C[C@H](C)c2ccccc2F)c1 ZINC001178432838 1050455955 /nfs/dbraw/zinc/45/59/55/1050455955.db2.gz BLPBXKIUKBGNIV-JTQLQIEISA-N -1 0 333.334 4.005 20 0 EIADRM CC(=O)c1cc(F)c([O-])c(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 ZINC001178428760 1050468768 /nfs/dbraw/zinc/46/87/68/1050468768.db2.gz OWZCFZJXFPRIAB-UHFFFAOYSA-N -1 0 347.773 4.058 20 0 EIADRM CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000070029416 1050476397 /nfs/dbraw/zinc/47/63/97/1050476397.db2.gz HAHDOGNXUZFDAR-AWEZNQCLSA-N -1 0 331.437 4.006 20 0 EIADRM O=S(=O)([N-]c1cccnc1C1CCC1)c1cc2c(s1)CCCC2 ZINC001187188784 1050496986 /nfs/dbraw/zinc/49/69/86/1050496986.db2.gz LALCDEVWOPRONA-UHFFFAOYSA-N -1 0 348.493 4.090 20 0 EIADRM Cc1c(F)cc([N-]S(=O)(=O)c2cc3c(s2)CCCC3)cc1F ZINC001187209394 1050509741 /nfs/dbraw/zinc/50/97/41/1050509741.db2.gz LMZFMVZRWLYTFU-UHFFFAOYSA-N -1 0 343.420 4.014 20 0 EIADRM CSc1ccc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cc1 ZINC001173814357 1050563407 /nfs/dbraw/zinc/56/34/07/1050563407.db2.gz YNFLKHQDFYYLAV-UHFFFAOYSA-N -1 0 329.830 4.052 20 0 EIADRM Cc1cc(CO)cc(Nc2ccc([C@H](C(=O)[O-])C(C)(C)C)cc2)c1 ZINC001212757957 1050567453 /nfs/dbraw/zinc/56/74/53/1050567453.db2.gz UJWNAZVNRJLXLZ-GOSISDBHSA-N -1 0 327.424 4.445 20 0 EIADRM CCOc1ccccc1Nc1ccc2c(cccc2S(=O)(=O)[O-])c1 ZINC001173850718 1050585952 /nfs/dbraw/zinc/58/59/52/1050585952.db2.gz LHJKFSIQBXZMSJ-UHFFFAOYSA-N -1 0 343.404 4.229 20 0 EIADRM Cc1cc(C)cc(Nc2c(O)cc(S(=O)(=O)[O-])c3ccccc32)c1 ZINC001173827902 1050600627 /nfs/dbraw/zinc/60/06/27/1050600627.db2.gz AAQIEFBGZIJOFC-UHFFFAOYSA-N -1 0 343.404 4.153 20 0 EIADRM O=S(=O)([N-]c1ccc2c3c(cccc31)-c1ccccc1-2)c1c[nH]cn1 ZINC001187761644 1050620478 /nfs/dbraw/zinc/62/04/78/1050620478.db2.gz ZALWYYWTDSTPBZ-UHFFFAOYSA-N -1 0 347.399 4.011 20 0 EIADRM Cc1cccc([N-]S(=O)(=O)c2nccs2)c1Oc1ccccc1 ZINC001187890981 1050646361 /nfs/dbraw/zinc/64/63/61/1050646361.db2.gz DRIDSWSGRWDOMN-UHFFFAOYSA-N -1 0 346.433 4.045 20 0 EIADRM 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ZINC000414605319 1023266101 /nfs/dbraw/zinc/26/61/01/1023266101.db2.gz CQKBHDZNMCIWTP-GOSISDBHSA-N -1 0 346.471 4.267 20 0 EIADRM Cc1cc(-c2nc(C3CC3)no2)ccc1NCc1cccc(C(=O)[O-])c1 ZINC000414634007 1023307890 /nfs/dbraw/zinc/30/78/90/1023307890.db2.gz ANJLZGIXNQPHJE-UHFFFAOYSA-N -1 0 349.390 4.233 20 0 EIADRM Cn1ncc(C2CC2)c1/C=C1/CCc2c1nc1ccccc1c2C(=O)[O-] ZINC000656613085 1023312073 /nfs/dbraw/zinc/31/20/73/1023312073.db2.gz QSBVCSOZJSMVKN-RAXLEYEMSA-N -1 0 345.402 4.031 20 0 EIADRM Cc1cc(-c2ccc(NC(=O)C(C)(C)C)nc2)c(C)cc1C(=O)[O-] ZINC000584794013 1023320683 /nfs/dbraw/zinc/32/06/83/1023320683.db2.gz ZIDMVDJNXRTPFQ-UHFFFAOYSA-N -1 0 326.396 4.048 20 0 EIADRM Cc1cc(Nc2ncc(Cl)cc2Br)ccc1C(=O)[O-] ZINC000707051369 1023326871 /nfs/dbraw/zinc/32/68/71/1023326871.db2.gz UCXWAGNPPKBVCQ-UHFFFAOYSA-N -1 0 341.592 4.248 20 0 EIADRM O=C([O-])CCCc1ccc(NCc2ccccc2OC(F)F)cc1 ZINC000417582733 1023364783 /nfs/dbraw/zinc/36/47/83/1023364783.db2.gz JFKUAJJCZRLVKY-UHFFFAOYSA-N -1 0 335.350 4.307 20 0 EIADRM COc1ccc2oc(C[NH2+][C@H](CCC(=O)[O-])c3ccccc3)cc2c1 ZINC000417605084 1023369522 /nfs/dbraw/zinc/36/95/22/1023369522.db2.gz XCYLXCNQKKHMQD-GOSISDBHSA-N -1 0 339.391 4.137 20 0 EIADRM CC(C)Oc1cccc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000417607042 1023371078 /nfs/dbraw/zinc/37/10/78/1023371078.db2.gz FTZZOUYUBJHVEH-OAHLLOKOSA-N -1 0 327.424 4.349 20 0 EIADRM O=C([O-])CCCc1ccccc1NCc1ccc(OC(F)F)cc1 ZINC000417617346 1023375460 /nfs/dbraw/zinc/37/54/60/1023375460.db2.gz FUOYNGOBUYOWKX-UHFFFAOYSA-N -1 0 335.350 4.307 20 0 EIADRM CC(C)Oc1cccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)c1 ZINC000417623455 1023378880 /nfs/dbraw/zinc/37/88/80/1023378880.db2.gz IXYIDWSBSUWLKT-UHFFFAOYSA-N -1 0 327.424 4.448 20 0 EIADRM COc1ccc2oc(CNc3ccccc3CCCC(=O)[O-])cc2c1 ZINC000417625938 1023386701 /nfs/dbraw/zinc/38/67/01/1023386701.db2.gz QOEQRMUTOHQNNL-UHFFFAOYSA-N -1 0 339.391 4.461 20 0 EIADRM COc1cc(CNc2ccccc2CCCC(=O)[O-])ccc1SC ZINC000417626273 1023387148 /nfs/dbraw/zinc/38/71/48/1023387148.db2.gz QSXHRGXKVQVVLU-UHFFFAOYSA-N -1 0 345.464 4.437 20 0 EIADRM COc1cc(C)ccc1CNc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000417662645 1023396377 /nfs/dbraw/zinc/39/63/77/1023396377.db2.gz VIKFJOYTQNSXRC-CYBMUJFWSA-N -1 0 331.437 4.181 20 0 EIADRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)s1 ZINC000042676959 1023397359 /nfs/dbraw/zinc/39/73/59/1023397359.db2.gz YFCRRAFYNSVXMX-UHFFFAOYSA-N -1 0 338.841 4.059 20 0 EIADRM CSc1ccc(Cl)cc1Nc1cccc(S(=O)(=O)[O-])c1 ZINC001215913880 1023397288 /nfs/dbraw/zinc/39/72/88/1023397288.db2.gz UIIOIENQYLUZKL-UHFFFAOYSA-N -1 0 329.830 4.052 20 0 EIADRM CCCn1nc(C)c(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)c1C ZINC000417654373 1023399821 /nfs/dbraw/zinc/39/98/21/1023399821.db2.gz IKMNZNWZZCCGNW-CQSZACIVSA-N -1 0 347.484 4.087 20 0 EIADRM Cc1cccn2c(/C=C(\CC(=O)[O-])c3nc4ccccc4s3)cnc12 ZINC000525560011 1023459485 /nfs/dbraw/zinc/45/94/85/1023459485.db2.gz XSZDSVPVXLBKTQ-UKTHLTGXSA-N -1 0 349.415 4.268 20 0 EIADRM O=C([O-])[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2Cl)[C@H]2CCCC[C@@H]12 ZINC000656762472 1023503414 /nfs/dbraw/zinc/50/34/14/1023503414.db2.gz BBLREQZJQNPLKR-LZWOXQAQSA-N -1 0 342.266 4.459 20 0 EIADRM Cc1cnn(-c2ccccc2F)c1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211655025 1023507429 /nfs/dbraw/zinc/50/74/29/1023507429.db2.gz KUHUCKUFGJAKER-UHFFFAOYSA-N -1 0 325.343 4.070 20 0 EIADRM Cc1cc(Nc2nc(Cl)c(Cl)nc2Cl)ccc1C(=O)[O-] ZINC001211655211 1023516031 /nfs/dbraw/zinc/51/60/31/1023516031.db2.gz QYFNRJCRHMDOGI-UHFFFAOYSA-N -1 0 332.574 4.187 20 0 EIADRM CCC(CC)(C(=O)NCCCCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000236869245 1023669057 /nfs/dbraw/zinc/66/90/57/1023669057.db2.gz DHPHEDBANBNDGW-UHFFFAOYSA-N -1 0 339.863 4.159 20 0 EIADRM O=C([O-])C1(CC(=O)N2CCC[C@@H]2c2ccccc2Cl)CCCC1 ZINC000320564378 1023691131 /nfs/dbraw/zinc/69/11/31/1023691131.db2.gz AOSHWWIUOBSSKC-OAHLLOKOSA-N -1 0 335.831 4.039 20 0 EIADRM COc1cc(Nc2ccc(C(=O)[O-])c(C)c2)ccc1C(F)(F)F ZINC001211657632 1023731533 /nfs/dbraw/zinc/73/15/33/1023731533.db2.gz SFVNLVMPDIWWNS-UHFFFAOYSA-N -1 0 325.286 4.464 20 0 EIADRM CCc1oc(C(=O)NC(c2ccccc2)c2ccccc2)cc1C(=O)[O-] ZINC000559152416 1023767585 /nfs/dbraw/zinc/76/75/85/1023767585.db2.gz LNEJYAYKDPSHLX-UHFFFAOYSA-N -1 0 349.386 4.060 20 0 EIADRM CO[C@H](C)c1nc(=Nc2ccc(NCC3CCCC3)cc2)s[n-]1 ZINC000509729059 1023781605 /nfs/dbraw/zinc/78/16/05/1023781605.db2.gz OJHJSMJJQNPRBA-GFCCVEGCSA-N -1 0 332.473 4.013 20 0 EIADRM CCn1c(C)cc(C([O-])=C[S@](=O)Cc2ccccc2C2CC2)c1C ZINC000341491697 1023809632 /nfs/dbraw/zinc/80/96/32/1023809632.db2.gz LISNFVRBJHCBNB-XMMPIXPASA-N -1 0 343.492 4.134 20 0 EIADRM CCC[C@@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000431996034 1023827163 /nfs/dbraw/zinc/82/71/63/1023827163.db2.gz RRKUKPKLIJPDQV-DNVCBOLYSA-N -1 0 339.435 4.472 20 0 EIADRM CCC[C@@H](C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1)c1ccccc1 ZINC000431996035 1023827655 /nfs/dbraw/zinc/82/76/55/1023827655.db2.gz RRKUKPKLIJPDQV-HNAYVOBHSA-N -1 0 339.435 4.472 20 0 EIADRM Cc1ccc(CCCC(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000432000151 1023827842 /nfs/dbraw/zinc/82/78/42/1023827842.db2.gz GEEPFNVDIJTPHQ-MRXNPFEDSA-N -1 0 339.435 4.220 20 0 EIADRM C[C@@H](Cc1ccc(NC(=O)c2csc3c2CCCC3)cc1)C(=O)[O-] ZINC000432001113 1023829906 /nfs/dbraw/zinc/82/99/06/1023829906.db2.gz OYVLNCMBNITMPA-LBPRGKRZSA-N -1 0 343.448 4.142 20 0 EIADRM CCc1cc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)sc1C ZINC000432001304 1023829959 /nfs/dbraw/zinc/82/99/59/1023829959.db2.gz PYEMCIIQGXUICS-LLVKDONJSA-N -1 0 331.437 4.134 20 0 EIADRM C[C@H](Cc1ccc(NC(=O)c2c[nH]cc2-c2ccccc2)cc1)C(=O)[O-] ZINC000432006023 1023830888 /nfs/dbraw/zinc/83/08/88/1023830888.db2.gz IBMMDXRYNIVSOV-CQSZACIVSA-N -1 0 348.402 4.197 20 0 EIADRM Fc1ccc2oc(Sc3n[n-]c(=Nc4ccccc4)s3)nc2c1 ZINC000511704928 1023833752 /nfs/dbraw/zinc/83/37/52/1023833752.db2.gz CYTHTXMOHMRSNN-UHFFFAOYSA-N -1 0 344.396 4.135 20 0 EIADRM CC1(C(=O)[O-])CCN(C(=O)Nc2ccccc2-c2cccs2)CC1 ZINC000647691012 1023861876 /nfs/dbraw/zinc/86/18/76/1023861876.db2.gz FLHWRSDCTUVHFS-UHFFFAOYSA-N -1 0 344.436 4.134 20 0 EIADRM O=C([O-])[C@H]1CCC[C@H](C(=O)NC2(c3cccc(Cl)c3)CCCC2)C1 ZINC000432121244 1023885866 /nfs/dbraw/zinc/88/58/66/1023885866.db2.gz DWYDSNQDHOJTES-KBPBESRZSA-N -1 0 349.858 4.117 20 0 EIADRM O=C([O-])c1cccc(C(=O)N2CCCC[C@@H]2CCc2ccccc2)c1 ZINC000432123984 1023888394 /nfs/dbraw/zinc/88/83/94/1023888394.db2.gz HMWDKVXKOGOBRK-LJQANCHMSA-N -1 0 337.419 4.012 20 0 EIADRM O=C(Nc1ccc2ncsc2c1)c1ccc(Br)cc1[O-] ZINC000223883852 1023927119 /nfs/dbraw/zinc/92/71/19/1023927119.db2.gz AKANAMYVASHUBW-UHFFFAOYSA-N -1 0 349.209 4.017 20 0 EIADRM COc1c(Br)cccc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211660923 1023946191 /nfs/dbraw/zinc/94/61/91/1023946191.db2.gz SVSWLVPXZUZKDC-UHFFFAOYSA-N -1 0 336.185 4.208 20 0 EIADRM Cc1c(Cl)cc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1Cl ZINC000647694704 1023950657 /nfs/dbraw/zinc/95/06/57/1023950657.db2.gz OECSIAQFKGKVQR-UHFFFAOYSA-N -1 0 345.226 4.020 20 0 EIADRM Cc1cc(F)cc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000432223638 1024002803 /nfs/dbraw/zinc/00/28/03/1024002803.db2.gz QDIFBQSNWOGEKA-UHFFFAOYSA-N -1 0 334.199 4.242 20 0 EIADRM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1F ZINC000027056989 1024071237 /nfs/dbraw/zinc/07/12/37/1024071237.db2.gz AMPQJNTUWDJVFB-JKSUJKDBSA-N -1 0 339.366 4.098 20 0 EIADRM CC(C)(CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)CC(F)F ZINC000909361817 1024115686 /nfs/dbraw/zinc/11/56/86/1024115686.db2.gz PSVIRCZYGWJDAF-LBPRGKRZSA-N -1 0 347.789 4.044 20 0 EIADRM O=C(Nc1ccccc1N1CCCCC1)c1cc(F)c([O-])c(Cl)c1 ZINC000184175386 1024222649 /nfs/dbraw/zinc/22/26/49/1024222649.db2.gz LXCYWBABECBVHD-UHFFFAOYSA-N -1 0 348.805 4.427 20 0 EIADRM O=C([O-])CCC1CCN(c2nc(-c3ccccc3F)cs2)CC1 ZINC000662882833 1024233241 /nfs/dbraw/zinc/23/32/41/1024233241.db2.gz GXBMOYQIRJBIHF-UHFFFAOYSA-N -1 0 334.416 4.030 20 0 EIADRM CCC1(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)CCCC1 ZINC000236871951 1024239100 /nfs/dbraw/zinc/23/91/00/1024239100.db2.gz OWUFZZAFTXFZMY-UHFFFAOYSA-N -1 0 335.469 4.303 20 0 EIADRM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000184213774 1024443261 /nfs/dbraw/zinc/44/32/61/1024443261.db2.gz CAQNFWMLWIYDTL-MRVPVSSYSA-N -1 0 343.732 4.296 20 0 EIADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)s1 ZINC000431174360 1024773544 /nfs/dbraw/zinc/77/35/44/1024773544.db2.gz BKIPCRGGTZPXHS-UHFFFAOYSA-N -1 0 348.449 4.184 20 0 EIADRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)s1 ZINC000431173333 1024775331 /nfs/dbraw/zinc/77/53/31/1024775331.db2.gz QGKOJXGTIXMHGM-UHFFFAOYSA-N -1 0 349.481 4.096 20 0 EIADRM CCc1ccccc1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000410424008 1024782129 /nfs/dbraw/zinc/78/21/29/1024782129.db2.gz DLWQKIZSVMNESV-UHFFFAOYSA-N -1 0 344.461 4.173 20 0 EIADRM O=C([O-])CN(Cc1ncc(-c2cccc(Cl)c2)o1)C1CCCCC1 ZINC000652482703 1024849015 /nfs/dbraw/zinc/84/90/15/1024849015.db2.gz QWWRGKZRTQFJPN-UHFFFAOYSA-N -1 0 348.830 4.214 20 0 EIADRM Cc1cc(C)c(Br)c(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000431204141 1024854823 /nfs/dbraw/zinc/85/48/23/1024854823.db2.gz SETZQTXCHSKFQQ-UHFFFAOYSA-N -1 0 348.196 4.016 20 0 EIADRM C[C@@H](CNC(=O)c1cc(F)c([O-])c(Cl)c1)Sc1ccccc1 ZINC000184455291 1024887717 /nfs/dbraw/zinc/88/77/17/1024887717.db2.gz ZSPMGZUECTYUME-JTQLQIEISA-N -1 0 339.819 4.095 20 0 EIADRM Fc1ccccc1C=Nn1c(=S)[n-]nc1-c1cccc(Cl)c1 ZINC000254354840 1024916784 /nfs/dbraw/zinc/91/67/84/1024916784.db2.gz WTLZHZYPJOIUFF-UHFFFAOYSA-N -1 0 332.791 4.282 20 0 EIADRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000535780574 1024929528 /nfs/dbraw/zinc/92/95/28/1024929528.db2.gz VIQVMICEWGIVTH-UHFFFAOYSA-N -1 0 348.424 4.058 20 0 EIADRM C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Br)cc1 ZINC000022769111 1024936024 /nfs/dbraw/zinc/93/60/24/1024936024.db2.gz JSAOKPRDKFGDMN-IYPWXLATSA-N -1 0 349.184 4.243 20 0 EIADRM CCN(C(=O)c1cccc(Br)c1[O-])[C@H]1CCCC[C@H]1C ZINC000535792058 1024947149 /nfs/dbraw/zinc/94/71/49/1024947149.db2.gz QTYHZDDGLHMHJP-RISCZKNCSA-N -1 0 340.261 4.196 20 0 EIADRM CCc1c(NC(=O)c2ccc([O-])c(Cl)c2)cnn1CCC(C)C ZINC000277051293 1025013093 /nfs/dbraw/zinc/01/30/93/1025013093.db2.gz 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1041796675 /nfs/dbraw/zinc/79/66/75/1041796675.db2.gz DUMRETXOOHJHRB-UHFFFAOYSA-N -1 0 348.358 4.133 20 0 EIADRM CC(C)c1cccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)cs2)c1 ZINC000437424054 1041796719 /nfs/dbraw/zinc/79/67/19/1041796719.db2.gz VMSZYPZUJYFDHM-UHFFFAOYSA-N -1 0 338.498 4.365 20 0 EIADRM CC(C)(C)c1csc([N-]S(=O)(=O)c2cc(Cl)ccc2F)n1 ZINC000517037452 1041845718 /nfs/dbraw/zinc/84/57/18/1041845718.db2.gz STWQMIIWVAIULS-UHFFFAOYSA-N -1 0 348.852 4.034 20 0 EIADRM C[C@H]1CCC[C@H](OCc2cccc([N-]S(=O)(=O)c3ccco3)c2)C1 ZINC000437657559 1041872080 /nfs/dbraw/zinc/87/20/80/1041872080.db2.gz VBKPLIWOPSQLAA-YOEHRIQHSA-N -1 0 349.452 4.176 20 0 EIADRM Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2ccccc2F)cs1 ZINC000437678998 1041877130 /nfs/dbraw/zinc/87/71/30/1041877130.db2.gz XIHBCYSSFUJNPP-UHFFFAOYSA-N -1 0 348.424 4.058 20 0 EIADRM Cc1nc(=NC(=O)c2sc3cc(Cl)ccc3c2Cl)s[n-]1 ZINC000464419506 1041995269 /nfs/dbraw/zinc/99/52/69/1041995269.db2.gz KDFYSVLVFSXCGE-UHFFFAOYSA-N -1 0 344.248 4.042 20 0 EIADRM O=C(Nc1ccc(O)c(Cl)c1)c1ncsc1-c1ccccc1 ZINC000438139016 1042061064 /nfs/dbraw/zinc/06/10/64/1042061064.db2.gz CAEPZOCFKSLNSN-UHFFFAOYSA-N -1 0 330.796 4.421 20 0 EIADRM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000541672046 1042062778 /nfs/dbraw/zinc/06/27/78/1042062778.db2.gz RXSMVVBWECPKCZ-LLVKDONJSA-N -1 0 337.341 4.260 20 0 EIADRM Cc1cc(-c2n[n-]c(=NCc3cc4cc(C)c(C)cc4o3)o2)c(C)o1 ZINC000541824039 1042129078 /nfs/dbraw/zinc/12/90/78/1042129078.db2.gz GETMKJIKWFQPLE-UHFFFAOYSA-N -1 0 337.379 4.343 20 0 EIADRM Cc1cccc(C(NC(=O)c2cc(C(=O)[O-])co2)c2cccc(C)c2)c1 ZINC000541838686 1042142232 /nfs/dbraw/zinc/14/22/32/1042142232.db2.gz PVPSXQOSYJVWHQ-UHFFFAOYSA-N -1 0 349.386 4.114 20 0 EIADRM Cc1ncc(CN(C)[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)s1 ZINC000517750435 1042161304 /nfs/dbraw/zinc/16/13/04/1042161304.db2.gz JLZLLSBVJUVBBS-CYBMUJFWSA-N -1 0 345.251 4.016 20 0 EIADRM Cc1ccc(NCc2csc(Br)c2)cc1C(=O)[O-] ZINC000517972429 1042299934 /nfs/dbraw/zinc/29/99/34/1042299934.db2.gz 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Cc1cccc(OCCN(C)C(=O)c2cc(O)c3ccccc3c2)c1 ZINC000527451816 1043260319 /nfs/dbraw/zinc/26/03/19/1043260319.db2.gz YEUYXXJCYXSMAN-UHFFFAOYSA-N -1 0 335.403 4.005 20 0 EIADRM Cc1cccc2[nH]cc(CCNC(=O)c3cc(O)c4ccccc4c3)c21 ZINC000527450310 1043260818 /nfs/dbraw/zinc/26/08/18/1043260818.db2.gz WNPYPXAIYSUIJA-UHFFFAOYSA-N -1 0 344.414 4.308 20 0 EIADRM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000543536622 1043273322 /nfs/dbraw/zinc/27/33/22/1043273322.db2.gz PTJYPLRWHNBZLL-MFKMUULPSA-N -1 0 329.362 4.144 20 0 EIADRM CSc1cccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000509203495 1043319500 /nfs/dbraw/zinc/31/95/00/1043319500.db2.gz QWLGZBYPKHBDJC-UHFFFAOYSA-N -1 0 347.383 4.228 20 0 EIADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1OCc1ccccc1 ZINC000311223883 1043321311 /nfs/dbraw/zinc/32/13/11/1043321311.db2.gz WCDCBQJFYNHCFB-UHFFFAOYSA-N -1 0 341.407 4.095 20 0 EIADRM O=C([O-])Cc1ccccc1NC(=O)c1cccc(Nc2ccccc2)c1 ZINC000428084778 1043327284 /nfs/dbraw/zinc/32/72/84/1043327284.db2.gz 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FC(F)c1n[n-]c(=NCC[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000432128333 1023890179 /nfs/dbraw/zinc/89/01/79/1023890179.db2.gz DSTLWYMGOMMOCO-VIFPVBQESA-N -1 0 337.317 4.046 20 0 EIADRM COC(=O)c1cc2cccc(Nc3ccc(C(=O)[O-])c(C)c3)c2s1 ZINC001211660880 1023947557 /nfs/dbraw/zinc/94/75/57/1023947557.db2.gz QJQCRCFIQWOSPP-UHFFFAOYSA-N -1 0 341.388 4.438 20 0 EIADRM Cc1cc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c(C)n1C(C)C ZINC000236710493 1024077860 /nfs/dbraw/zinc/07/78/60/1024077860.db2.gz VYQALZZBMGKIHM-JXMROGBWSA-N -1 0 326.396 4.036 20 0 EIADRM CC(C)(C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000236725414 1024082953 /nfs/dbraw/zinc/08/29/53/1024082953.db2.gz IHQQIXMRJZWXBX-UHFFFAOYSA-N -1 0 345.826 4.274 20 0 EIADRM COc1ccc(-c2cc3[n-]c(C4CCCC4)nc(=O)c3s2)cc1 ZINC000510614803 1024094584 /nfs/dbraw/zinc/09/45/84/1024094584.db2.gz WAVNKMQLBFPLHW-UHFFFAOYSA-N -1 0 326.421 4.318 20 0 EIADRM Cc1cc(Nc2c(F)cccc2OC2CCOCC2)ccc1C(=O)[O-] ZINC001211663346 1024109686 /nfs/dbraw/zinc/10/96/86/1024109686.db2.gz FUQFNHCDEGXPAH-UHFFFAOYSA-N -1 0 345.370 4.134 20 0 EIADRM Cc1cc(Nc2cccc(F)c2OC[C@@H]2CCCO2)ccc1C(=O)[O-] ZINC001211663434 1024116566 /nfs/dbraw/zinc/11/65/66/1024116566.db2.gz JOIQXVMZMZDTDF-AWEZNQCLSA-N -1 0 345.370 4.134 20 0 EIADRM O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(F)c([O-])c(Cl)c1 ZINC000184206966 1024391623 /nfs/dbraw/zinc/39/16/23/1024391623.db2.gz XBKVNDBAVLPVHP-UHFFFAOYSA-N -1 0 347.695 4.134 20 0 EIADRM CCc1cccc(C(=O)N2CC=C(c3c(F)cccc3F)CC2)c1O ZINC000548435113 1024477721 /nfs/dbraw/zinc/47/77/21/1024477721.db2.gz GAUTXECCPKOARI-UHFFFAOYSA-N -1 0 343.373 4.162 20 0 EIADRM O=C(Nc1ccccc1OC(F)F)c1cc(F)c([O-])c(Cl)c1 ZINC000184218163 1024483170 /nfs/dbraw/zinc/48/31/70/1024483170.db2.gz URICJSOIZCJATC-UHFFFAOYSA-N -1 0 331.677 4.038 20 0 EIADRM O=C([O-])c1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(F)c1 ZINC000063008837 1024561211 /nfs/dbraw/zinc/56/12/11/1024561211.db2.gz WRYJRGFIJAVLMK-UHFFFAOYSA-N -1 0 328.126 4.083 20 0 EIADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(NC2CCCCC2)cc1 ZINC000663034657 1024610182 /nfs/dbraw/zinc/61/01/82/1024610182.db2.gz SMJGSHHXGMLGGT-INIZCTEOSA-N -1 0 332.444 4.117 20 0 EIADRM CSC[C@H](C)C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000156564303 1024611384 /nfs/dbraw/zinc/61/13/84/1024611384.db2.gz QRTAGHGNWOCTAA-YFKPBYRVSA-N -1 0 328.648 4.290 20 0 EIADRM COc1c(F)cc(Nc2c(Cl)c(F)[n-]c(=O)c2Cl)cc1F ZINC001211676241 1024720312 /nfs/dbraw/zinc/72/03/12/1024720312.db2.gz BGKMGEXSOFMHPK-UHFFFAOYSA-N -1 0 339.100 4.264 20 0 EIADRM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(Nc2ccccc2)c1 ZINC000663080190 1024770687 /nfs/dbraw/zinc/77/06/87/1024770687.db2.gz OIONPYUYPYXOBH-INIZCTEOSA-N -1 0 326.396 4.116 20 0 EIADRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)s1 ZINC000431173669 1024779278 /nfs/dbraw/zinc/77/92/78/1024779278.db2.gz ULBFTWGPJDCHRH-UHFFFAOYSA-N -1 0 337.800 4.097 20 0 EIADRM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000049124567 1024802823 /nfs/dbraw/zinc/80/28/23/1024802823.db2.gz PCVNLOAEJYICJZ-UHFFFAOYSA-N -1 0 327.858 4.171 20 0 EIADRM C[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)[C@H](C)C(=O)[O-] ZINC000132547888 1024810746 /nfs/dbraw/zinc/81/07/46/1024810746.db2.gz HHFGLGAOQDMQGO-NKWVEPMBSA-N -1 0 346.235 4.047 20 0 EIADRM O=C([O-])CN(Cc1nc(C2CCCCC2)cs1)C1CCCCC1 ZINC000652482214 1024849538 /nfs/dbraw/zinc/84/95/38/1024849538.db2.gz SNTZOEHXTZDDJO-UHFFFAOYSA-N -1 0 336.501 4.410 20 0 EIADRM O=C([O-])C1(CC(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)CCC1 ZINC000473408693 1033245336 /nfs/dbraw/zinc/24/53/36/1033245336.db2.gz OXOQCPYYCBYPTQ-YUIUBULTSA-N -1 0 341.451 4.116 20 0 EIADRM COC[C@H](C)Oc1ccc(CNc2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000663261163 1024964759 /nfs/dbraw/zinc/96/47/59/1024964759.db2.gz ZGWAQWOZKNPSKB-HNNXBMFYSA-N -1 0 343.423 4.027 20 0 EIADRM S=c1[n-]nc(-c2ccco2)n1N=Cc1c(Cl)cccc1Cl ZINC000254752980 1024982480 /nfs/dbraw/zinc/98/24/80/1024982480.db2.gz CUKPMPLHZPXTQA-UHFFFAOYSA-N -1 0 339.207 4.390 20 0 EIADRM C[C@H](CC(=O)[O-])CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000061836308 1025022402 /nfs/dbraw/zinc/02/24/02/1025022402.db2.gz UZBZOFOAHQZONQ-UWVGGRQHSA-N -1 0 332.227 4.014 20 0 EIADRM CC(C)(C)c1ccc(/C=C/C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000236781896 1025022916 /nfs/dbraw/zinc/02/29/16/1025022916.db2.gz QIYSMHYPRASXIJ-UEICXMAYSA-N -1 0 343.467 4.101 20 0 EIADRM O=C(Nc1nc(-c2ccccc2)cs1)c1cc(F)c([O-])c(F)c1 ZINC000186412389 1025038343 /nfs/dbraw/zinc/03/83/43/1025038343.db2.gz WWBPLSWZLVGEBM-UHFFFAOYSA-N -1 0 332.331 4.046 20 0 EIADRM C[C@H](c1ccccc1Cl)N(C)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000186570189 1025053928 /nfs/dbraw/zinc/05/39/28/1025053928.db2.gz RTSCOKALNAKOHL-SECBINFHSA-N -1 0 325.742 4.157 20 0 EIADRM CC(C)C1CCC(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CC1 ZINC000236586586 1025246579 /nfs/dbraw/zinc/24/65/79/1025246579.db2.gz GRKNYFVLIZUJPG-NFOMZHRRSA-N -1 0 349.496 4.196 20 0 EIADRM Cc1cc(-c2ccccc2OC[C@@H]2CCOC2)cc(Cl)c1C(=O)[O-] ZINC000657204014 1025276399 /nfs/dbraw/zinc/27/63/99/1025276399.db2.gz BZNRCXCCBADRBI-CYBMUJFWSA-N -1 0 346.810 4.429 20 0 EIADRM Cc1ccc(NC(=O)[C@@](C)(CC(=O)[O-])c2ccsc2)c(Cl)c1 ZINC000634815380 1025281051 /nfs/dbraw/zinc/28/10/51/1025281051.db2.gz PCORNCNCZKMVAG-INIZCTEOSA-N -1 0 337.828 4.081 20 0 EIADRM Cc1cc(OC(F)F)ccc1-c1ccc2c(c1)[C@H](C(=O)[O-])CCO2 ZINC000657205827 1025281212 /nfs/dbraw/zinc/28/12/12/1025281212.db2.gz RPNLIYKCIDLQHL-CQSZACIVSA-N -1 0 334.318 4.214 20 0 EIADRM O=C([O-])CCn1cc(-c2cc(F)cc(COC3CCCCC3)c2)cn1 ZINC000657205547 1025287580 /nfs/dbraw/zinc/28/75/80/1025287580.db2.gz DOJWVFZGDYMVGV-UHFFFAOYSA-N -1 0 346.402 4.013 20 0 EIADRM COC[C@H](C)Oc1cccc(-c2cccc(Cl)c2CC(=O)[O-])c1 ZINC000657205410 1025288575 /nfs/dbraw/zinc/28/85/75/1025288575.db2.gz YEIOIQNETLEHIW-LBPRGKRZSA-N -1 0 334.799 4.048 20 0 EIADRM Cn1nc(C(F)(F)F)cc1-c1ccc(SCCCC(=O)[O-])cc1 ZINC000657205700 1025290225 /nfs/dbraw/zinc/29/02/25/1025290225.db2.gz HIYRZOBKPHIAFT-UHFFFAOYSA-N -1 0 344.358 4.063 20 0 EIADRM C[C@@H](C(=O)[O-])c1ccc(-c2ccc(C(F)(F)F)cc2CO)s1 ZINC000657207343 1025294616 /nfs/dbraw/zinc/29/46/16/1025294616.db2.gz JSSNZSVDXKIXAS-MRVPVSSYSA-N -1 0 330.327 4.114 20 0 EIADRM CCN(CCC(=O)[O-])C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000236831372 1025306305 /nfs/dbraw/zinc/30/63/05/1025306305.db2.gz DZKKRWNGLRWYRR-UHFFFAOYSA-N -1 0 337.828 4.005 20 0 EIADRM C[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl)C(F)(F)F ZINC000843595579 1025334373 /nfs/dbraw/zinc/33/43/73/1025334373.db2.gz UBWNOEDDYVTINA-YFKPBYRVSA-N -1 0 336.087 4.152 20 0 EIADRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000472017691 1025386541 /nfs/dbraw/zinc/38/65/41/1025386541.db2.gz LEDGLDQWHNTKCY-HZPDHXFCSA-N -1 0 343.810 4.397 20 0 EIADRM CCCc1ccc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)cc1 ZINC000303234970 1025493542 /nfs/dbraw/zinc/49/35/42/1025493542.db2.gz ZJUFUCDLNKENGE-UHFFFAOYSA-N -1 0 340.448 4.297 20 0 EIADRM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCc1ccc(C2CCCCC2)cc1 ZINC000644847593 1025640047 /nfs/dbraw/zinc/64/00/47/1025640047.db2.gz JUDADDLTRAYVJT-MOPGFXCFSA-N -1 0 341.451 4.018 20 0 EIADRM C[C@H](CC(=O)[O-])CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000315787641 1025789960 /nfs/dbraw/zinc/78/99/60/1025789960.db2.gz YESSMNPZPMVZHN-IINYFYTJSA-N -1 0 344.238 4.158 20 0 EIADRM O=C(Nc1cccc(CC(F)(F)F)c1)c1cc(Cl)ccc1[O-] ZINC000440296497 1025806094 /nfs/dbraw/zinc/80/60/94/1025806094.db2.gz LJQVPZDBZWKZBR-UHFFFAOYSA-N -1 0 329.705 4.403 20 0 EIADRM Cc1ccnc([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)c1 ZINC000432371429 1025810975 /nfs/dbraw/zinc/81/09/75/1025810975.db2.gz YTDIIQBIZXDTSU-UHFFFAOYSA-N -1 0 338.841 4.059 20 0 EIADRM Cc1cc(Nc2ccc(Cl)nc2Br)cc(C(=O)[O-])c1 ZINC001211537741 1025885317 /nfs/dbraw/zinc/88/53/17/1025885317.db2.gz YZGQDLCTQKGYBE-UHFFFAOYSA-N -1 0 341.592 4.248 20 0 EIADRM CCOc1cc(C)ccc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000048382406 1025932888 /nfs/dbraw/zinc/93/28/88/1025932888.db2.gz XCNYBGTWPWPHJT-UHFFFAOYSA-N -1 0 333.428 4.148 20 0 EIADRM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)nc2ccccc12 ZINC000431341378 1026040853 /nfs/dbraw/zinc/04/08/53/1026040853.db2.gz ICUJOWVGJBUBOW-UHFFFAOYSA-N -1 0 340.766 4.147 20 0 EIADRM Cc1cc(Nc2ccc3nc(-c4ccccc4)nn3c2)cc(C(=O)[O-])c1 ZINC001211539067 1026062942 /nfs/dbraw/zinc/06/29/42/1026062942.db2.gz DGRGRKVHCVLEJX-UHFFFAOYSA-N -1 0 344.374 4.147 20 0 EIADRM O=C([O-])[C@H]1CCCCCN1C(=O)Nc1cccc(-c2cccs2)c1 ZINC000684743710 1026091678 /nfs/dbraw/zinc/09/16/78/1026091678.db2.gz BLSQABPIUZKNHK-OAHLLOKOSA-N -1 0 344.436 4.276 20 0 EIADRM O=c1nc(-c2ccc(Cl)s2)[n-]c2c(-c3ccccc3)nsc21 ZINC000548685498 1026200117 /nfs/dbraw/zinc/20/01/17/1026200117.db2.gz OOFZIRKJCANBCD-UHFFFAOYSA-N -1 0 345.836 4.429 20 0 EIADRM Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1C(=O)[O-] ZINC000261801657 1026204578 /nfs/dbraw/zinc/20/45/78/1026204578.db2.gz FTQVEZBBIHMURJ-YPMHNXCESA-N -1 0 329.318 4.000 20 0 EIADRM CCc1cccc(Oc2cc(-c3nc(=O)c4sccc4[n-]3)ccn2)c1 ZINC000101698274 1026290387 /nfs/dbraw/zinc/29/03/87/1026290387.db2.gz RYBVXGFAMDZTHJ-UHFFFAOYSA-N -1 0 349.415 4.401 20 0 EIADRM CC(C)(C)c1ccccc1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000261600703 1026386880 /nfs/dbraw/zinc/38/68/80/1026386880.db2.gz BDZODDVFAIPJHD-UHFFFAOYSA-N -1 0 325.408 4.254 20 0 EIADRM CCc1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1CC ZINC000582349757 1026477380 /nfs/dbraw/zinc/47/73/80/1026477380.db2.gz DBDAWHALPJFIBU-UHFFFAOYSA-N -1 0 326.396 4.083 20 0 EIADRM Cc1cc(C)cc([C@@H](NCc2csc3ccccc23)C(=O)[O-])c1 ZINC000426750978 1026536066 /nfs/dbraw/zinc/53/60/66/1026536066.db2.gz RMHWPMIUQDNUKY-GOSISDBHSA-N -1 0 325.433 4.434 20 0 EIADRM Cc1cc2cc(CN[C@H](C(=O)[O-])c3c(F)cccc3F)oc2cc1C ZINC000426751296 1026537273 /nfs/dbraw/zinc/53/72/73/1026537273.db2.gz UUXDELXSOHDTDQ-SFHVURJKSA-N -1 0 345.345 4.243 20 0 EIADRM O=C([O-])[C@@H](NCc1cccc(Cl)c1Cl)c1ccccc1F ZINC000426769275 1026548336 /nfs/dbraw/zinc/54/83/36/1026548336.db2.gz HLSROSRUHWGFNF-AWEZNQCLSA-N -1 0 328.170 4.048 20 0 EIADRM O=C([O-])[C@H](NCc1ccc(Cl)cc1Cl)c1ccccc1F ZINC000426772226 1026549128 /nfs/dbraw/zinc/54/91/28/1026549128.db2.gz CJCMIJYWKSKMNQ-CQSZACIVSA-N -1 0 328.170 4.048 20 0 EIADRM O=C([O-])[C@@H](NCc1ccc(-c2cccc(F)c2F)o1)c1ccsc1 ZINC000426785864 1026558211 /nfs/dbraw/zinc/55/82/11/1026558211.db2.gz ZIEBQNRTHJFMFQ-INIZCTEOSA-N -1 0 349.358 4.202 20 0 EIADRM O=C([O-])[C@H](NCc1cc(-c2ccccc2)cs1)c1ccsc1 ZINC000426790241 1026564355 /nfs/dbraw/zinc/56/43/55/1026564355.db2.gz BTVCQNCILYBMJT-MRXNPFEDSA-N -1 0 329.446 4.392 20 0 EIADRM Cc1c(F)cccc1-c1ccc(CN[C@@H](C(=O)[O-])c2cccs2)o1 ZINC000426809487 1026575927 /nfs/dbraw/zinc/57/59/27/1026575927.db2.gz VRRDNVOBBIGDNM-QGZVFWFLSA-N -1 0 345.395 4.371 20 0 EIADRM CCC[C@@H](C)C[C@H](NCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000426823559 1026581269 /nfs/dbraw/zinc/58/12/69/1026581269.db2.gz JJCVPPIGBCMHGQ-CJNGLKHVSA-N -1 0 332.469 4.179 20 0 EIADRM Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc3cccnc32)c(Cl)c1 ZINC000507007968 1026586005 /nfs/dbraw/zinc/58/60/05/1026586005.db2.gz NJTILTHYZFXKPW-UHFFFAOYSA-N -1 0 346.839 4.306 20 0 EIADRM CC(C)[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC000236618899 1026647693 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20 0 EIADRM Oc1ccc(-c2noc(-c3cscc3Br)n2)c(F)c1 ZINC000436880736 1041539384 /nfs/dbraw/zinc/53/93/84/1041539384.db2.gz SBFOGCODAJLDAR-UHFFFAOYSA-N -1 0 341.161 4.072 20 0 EIADRM O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000436884183 1041540589 /nfs/dbraw/zinc/54/05/89/1041540589.db2.gz KLKKIOJSSULIGW-HNNXBMFYSA-N -1 0 337.753 4.301 20 0 EIADRM O=C(c1c([O-])cccc1F)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000436885305 1041540721 /nfs/dbraw/zinc/54/07/21/1041540721.db2.gz CCIVCDKAXWUHER-UHFFFAOYSA-N -1 0 331.774 4.114 20 0 EIADRM CC(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2cccc(Cl)c2F)c1 ZINC000436893114 1041545867 /nfs/dbraw/zinc/54/58/67/1041545867.db2.gz MOCQUQWKKNAKFF-UHFFFAOYSA-N -1 0 349.789 4.304 20 0 EIADRM CCC(CC)c1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])on1 ZINC000436905707 1041547071 /nfs/dbraw/zinc/54/70/71/1041547071.db2.gz INLMADHLXMJZOC-UHFFFAOYSA-N -1 0 326.755 4.329 20 0 EIADRM O=C(NCCc1csc2ccccc12)c1cc(F)c([O-])c(Cl)c1 ZINC000436904589 1041547130 /nfs/dbraw/zinc/54/71/30/1041547130.db2.gz 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1041569856 /nfs/dbraw/zinc/56/98/56/1041569856.db2.gz IFIPMSTWACXDKY-UHFFFAOYSA-N -1 0 328.368 4.216 20 0 EIADRM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c([O-])cccc1F ZINC000436945830 1041570534 /nfs/dbraw/zinc/57/05/34/1041570534.db2.gz VLJLWJKXKTVBMN-UHFFFAOYSA-N -1 0 328.170 4.110 20 0 EIADRM CN(Cc1cccc(Cl)c1Cl)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436966052 1041572069 /nfs/dbraw/zinc/57/20/69/1041572069.db2.gz UNLVJLPCKLKGSX-UHFFFAOYSA-N -1 0 346.160 4.249 20 0 EIADRM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1cc(F)c([O-])c(F)c1 ZINC000436967447 1041573254 /nfs/dbraw/zinc/57/32/54/1041573254.db2.gz PKGIUWHQYSXUFC-OAHLLOKOSA-N -1 0 347.336 4.175 20 0 EIADRM CC(C)n1cc2ccc(NC(=O)c3cc(Cl)ccc3[O-])cc2n1 ZINC000436957324 1041574380 /nfs/dbraw/zinc/57/43/80/1041574380.db2.gz WZBGNUXVBWHHDF-UHFFFAOYSA-N -1 0 329.787 4.229 20 0 EIADRM CCCN(C(=O)c1ccc([O-])c(Cl)c1)[C@H]1CCCc2cccnc21 ZINC000436953980 1041575300 /nfs/dbraw/zinc/57/53/00/1041575300.db2.gz COLCOMHJFKPCNB-INIZCTEOSA-N -1 0 344.842 4.370 20 0 EIADRM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1ccc([O-])c(Cl)c1 ZINC000436974465 1041579824 /nfs/dbraw/zinc/57/98/24/1041579824.db2.gz ZBTVHPINRZKSHV-TVQRCGJNSA-N -1 0 340.181 4.124 20 0 EIADRM C[C@@H](CNC(=O)c1cc(Cl)c2ccccc2c1[O-])c1nccs1 ZINC000436979995 1041580205 /nfs/dbraw/zinc/58/02/05/1041580205.db2.gz LWNUDCLBNPCBAU-JTQLQIEISA-N -1 0 346.839 4.189 20 0 EIADRM Cc1cccc([C@H](NC(=O)c2cc(F)c([O-])c(F)c2)C(F)(F)F)c1 ZINC000436968661 1041581702 /nfs/dbraw/zinc/58/17/02/1041581702.db2.gz VCWGGJCWHBCKAK-AWEZNQCLSA-N -1 0 345.267 4.012 20 0 EIADRM CC(C)C[C@@H](NC(=O)CC1CCC(C(=O)[O-])CC1)c1cccs1 ZINC000516473157 1041590284 /nfs/dbraw/zinc/59/02/84/1041590284.db2.gz OZYSVVLUWQBWNQ-YMAMQOFZSA-N -1 0 337.485 4.233 20 0 EIADRM Cc1ccc([C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])C2)c(C)c1 ZINC000436998469 1041594347 /nfs/dbraw/zinc/59/43/47/1041594347.db2.gz HIGTUSOVPWKKAU-ZDUSSCGKSA-N -1 0 347.817 4.431 20 0 EIADRM CC(C)Oc1c(Cl)cccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000540774604 1041660220 /nfs/dbraw/zinc/66/02/20/1041660220.db2.gz WNVGDENLQYJRPY-UHFFFAOYSA-N -1 0 347.798 4.007 20 0 EIADRM Cc1cc(OC(C)C)ccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000540774121 1041662670 /nfs/dbraw/zinc/66/26/70/1041662670.db2.gz AANONDPZKZDWFQ-UHFFFAOYSA-N -1 0 341.407 4.052 20 0 EIADRM Cc1cccc([C@H](NC(=O)Cc2ccccc2C(=O)[O-])C(C)(C)C)c1 ZINC000540774326 1041662909 /nfs/dbraw/zinc/66/29/09/1041662909.db2.gz IMLDUBYZZIZXMU-IBGZPJMESA-N -1 0 339.435 4.139 20 0 EIADRM O=C([O-])c1cccc(CC(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000540774022 1041663009 /nfs/dbraw/zinc/66/30/09/1041663009.db2.gz AIKIMCNZTFRQDX-UHFFFAOYSA-N -1 0 331.371 4.233 20 0 EIADRM CC(C)c1cnc([N-]S(=O)(=O)c2cccc3ccccc32)s1 ZINC000437176542 1041684236 /nfs/dbraw/zinc/68/42/36/1041684236.db2.gz OYIZSBZBUNOLJS-UHFFFAOYSA-N -1 0 332.450 4.221 20 0 EIADRM CSc1ccc(S(=O)(=O)[N-]c2cscc2C)cc1Cl ZINC000463796601 1041754320 /nfs/dbraw/zinc/75/43/20/1041754320.db2.gz GFTMQIRQHNSXBJ-UHFFFAOYSA-N -1 0 333.887 4.233 20 0 EIADRM Cc1ccc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)c(Cl)c1 ZINC000437323817 1041756381 /nfs/dbraw/zinc/75/63/81/1041756381.db2.gz CLUXUWCGLXZICT-UHFFFAOYSA-N -1 0 344.889 4.203 20 0 EIADRM Cc1ccsc1S(=O)(=O)[N-]c1nc2ccc(Cl)cc2s1 ZINC000437404412 1041789432 /nfs/dbraw/zinc/78/94/32/1041789432.db2.gz JNVFZHURUPVIQI-UHFFFAOYSA-N -1 0 344.870 4.120 20 0 EIADRM O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)c1cccc(F)c1[O-] ZINC001270208381 1041792264 /nfs/dbraw/zinc/79/22/64/1041792264.db2.gz ZBPAWWOUEOIZBQ-UHFFFAOYSA-N -1 0 340.181 4.257 20 0 EIADRM C[C@H](Oc1ccccc1[N-]S(=O)(=O)c1ccco1)c1ccccc1 ZINC000437670929 1041874703 /nfs/dbraw/zinc/87/47/03/1041874703.db2.gz HEHIWPJUACHQLW-AWEZNQCLSA-N -1 0 343.404 4.220 20 0 EIADRM O=C(N[C@H](c1ccccc1)C1CC1)c1cccc(Br)c1[O-] ZINC000517347668 1041977251 /nfs/dbraw/zinc/97/72/51/1041977251.db2.gz CCDRVIJEPRMCPB-OAHLLOKOSA-N -1 0 346.224 4.036 20 0 EIADRM CC(C)(C)Oc1ccc(NC(=O)N=c2nc(C(C)(C)C)[n-]s2)cc1 ZINC000437981017 1042001975 /nfs/dbraw/zinc/00/19/75/1042001975.db2.gz SUQSFMNHGVZIIV-UHFFFAOYSA-N -1 0 348.472 4.079 20 0 EIADRM O=C(c1cc(F)c(F)c([O-])c1F)N1CCCC[C@@H]1Cc1ccccc1 ZINC000541694407 1042068659 /nfs/dbraw/zinc/06/86/59/1042068659.db2.gz WIOGBWSWQWTOOA-CYBMUJFWSA-N -1 0 349.352 4.047 20 0 EIADRM CCCN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@H]1CCc2ccccc21 ZINC000541694464 1042068746 /nfs/dbraw/zinc/06/87/46/1042068746.db2.gz ZLPHBVLIPGDKAD-HNNXBMFYSA-N -1 0 349.352 4.349 20 0 EIADRM CCc1ccc(C(=O)N=c2[n-]nc(-c3ccccc3Cl)s2)cc1 ZINC000517656380 1042120806 /nfs/dbraw/zinc/12/08/06/1042120806.db2.gz HCSJUGVTNADTFZ-UHFFFAOYSA-N -1 0 343.839 4.095 20 0 EIADRM COc1ccc(S(=O)(=O)Nc2ccc(F)c(C)c2)c2ccccc12 ZINC000303231545 1042372533 /nfs/dbraw/zinc/37/25/33/1042372533.db2.gz YNWMWQFRLBPXHC-UHFFFAOYSA-N -1 0 345.395 4.097 20 0 EIADRM COc1ccccc1S(=O)(=O)[N-]c1cccc(-c2cccs2)c1 ZINC000509579664 1042387614 /nfs/dbraw/zinc/38/76/14/1042387614.db2.gz VSHIUQKOMRMFKM-UHFFFAOYSA-N -1 0 345.445 4.225 20 0 EIADRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000491592207 1042477220 /nfs/dbraw/zinc/47/72/20/1042477220.db2.gz SGRHCXYEDIEFQE-UWVGGRQHSA-N -1 0 329.362 4.096 20 0 EIADRM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc3ccccc3c2)cc1C ZINC000491930612 1042517055 /nfs/dbraw/zinc/51/70/55/1042517055.db2.gz JDORPYGOYAFYAU-UHFFFAOYSA-N -1 0 338.428 4.113 20 0 EIADRM O=C(Nc1ccccc1)c1cc(Br)cc(Cl)c1[O-] ZINC000303877336 1042523763 /nfs/dbraw/zinc/52/37/63/1042523763.db2.gz OBSUDPYIOSAXGW-UHFFFAOYSA-N -1 0 326.577 4.060 20 0 EIADRM O=C([O-])C1(CC(=O)N[C@H]2CCCC[C@H]2c2ccccc2)CCCCC1 ZINC000518545626 1042565732 /nfs/dbraw/zinc/56/57/32/1042565732.db2.gz VRDDLVRHVAECKS-ROUUACIJSA-N -1 0 343.467 4.254 20 0 EIADRM CCOc1cc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)ccc1OC ZINC000439274269 1042569950 /nfs/dbraw/zinc/56/99/50/1042569950.db2.gz LSDZHKDZPKKKRK-CSKARUKUSA-N -1 0 339.347 4.104 20 0 EIADRM O=C([O-])c1ccc2oc(/C=C/c3csc(-c4ccccn4)n3)nc2c1 ZINC000439271351 1042570009 /nfs/dbraw/zinc/57/00/09/1042570009.db2.gz IXIVBACHIZUGRG-FNORWQNLSA-N -1 0 349.371 4.215 20 0 EIADRM COc1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)ccc1SC ZINC000439284518 1042572949 /nfs/dbraw/zinc/57/29/49/1042572949.db2.gz ZHJNARGOBUEVDQ-XBXARRHUSA-N -1 0 341.388 4.427 20 0 EIADRM CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3ccsc3)n2)cc1 ZINC000439422851 1042616044 /nfs/dbraw/zinc/61/60/44/1042616044.db2.gz QZHBVTKXDSLIIT-UHFFFAOYSA-N -1 0 327.409 4.015 20 0 EIADRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000761476458 1042666682 /nfs/dbraw/zinc/66/66/82/1042666682.db2.gz IXAHUEVYSPOPMN-UHFFFAOYSA-N -1 0 325.364 4.416 20 0 EIADRM COc1cc(C)ccc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000506622519 1042701259 /nfs/dbraw/zinc/70/12/59/1042701259.db2.gz DLYIZAZYIGNZSV-UHFFFAOYSA-N -1 0 333.434 4.019 20 0 EIADRM O=C([O-])/C=C\c1cnc(/C=C\c2ccc(Cl)nc2Cl)s1 ZINC000761478973 1042725122 /nfs/dbraw/zinc/72/51/22/1042725122.db2.gz IVGAGQHXKKBIAS-SXUARNTMSA-N -1 0 327.192 4.113 20 0 EIADRM COc1ccc([N-]S(=O)(=O)c2csc3ccccc32)c(C)c1 ZINC000506661041 1042748997 /nfs/dbraw/zinc/74/89/97/1042748997.db2.gz FIXSYZCCCUGYTQ-UHFFFAOYSA-N -1 0 333.434 4.019 20 0 EIADRM CC(C)c1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])s1 ZINC000439930788 1042806335 /nfs/dbraw/zinc/80/63/35/1042806335.db2.gz FLOXOFWQFGDQGW-AWEZNQCLSA-N -1 0 345.464 4.235 20 0 EIADRM Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])ccc1Cl ZINC000439931467 1042810307 /nfs/dbraw/zinc/81/03/07/1042810307.db2.gz GGYMEIPINIJSKW-CQSZACIVSA-N -1 0 345.826 4.012 20 0 EIADRM CCC(CC)(CC(=O)Nc1c(F)cc(Cl)c(C)c1F)C(=O)[O-] ZINC000536389476 1042828211 /nfs/dbraw/zinc/82/82/11/1042828211.db2.gz CSWLPTZLWPMGHD-UHFFFAOYSA-N -1 0 333.762 4.146 20 0 EIADRM C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)[O-])c1C ZINC000761523161 1042873534 /nfs/dbraw/zinc/87/35/34/1042873534.db2.gz ISHNNMQXWIZIEC-ZHACJKMWSA-N -1 0 329.783 4.389 20 0 EIADRM [O-]c1c(Cl)cccc1-c1nc(-c2ccccc2OC(F)F)no1 ZINC000761580287 1042885871 /nfs/dbraw/zinc/88/58/71/1042885871.db2.gz DGDAMUDGXINQFL-UHFFFAOYSA-N -1 0 338.697 4.364 20 0 EIADRM O=C(Nc1cc(Cl)cc(F)c1F)c1c(F)c(F)cc(F)c1F ZINC000441563335 1042888256 /nfs/dbraw/zinc/88/82/56/1042888256.db2.gz FYBGFMCQRDNTRY-UHFFFAOYSA-N -1 0 339.622 4.427 20 0 EIADRM CC1(C)CN(C(=O)c2ccc([O-])c(Cl)c2)CC[C@H]1C(F)(F)F ZINC000190671899 1042942783 /nfs/dbraw/zinc/94/27/83/1042942783.db2.gz KSILGRXKGZCWKF-GFCCVEGCSA-N -1 0 335.753 4.096 20 0 EIADRM CCc1cccc(Cl)c1CNCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000417694969 1042971702 /nfs/dbraw/zinc/97/17/02/1042971702.db2.gz ATUHLDNDDDTTNI-UHFFFAOYSA-N -1 0 344.842 4.163 20 0 EIADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)cc1 ZINC000536460343 1043023183 /nfs/dbraw/zinc/02/31/83/1043023183.db2.gz UIEYLTYDKKPZFA-KBPBESRZSA-N -1 0 347.484 4.168 20 0 EIADRM O=C(Nc1cc(Br)cc(Cl)c1[O-])c1ccccc1 ZINC000536461224 1043023729 /nfs/dbraw/zinc/02/37/29/1043023729.db2.gz TYHXSPFQBXDZIL-UHFFFAOYSA-N -1 0 326.577 4.060 20 0 EIADRM O=C(NC1(c2ccccc2)CCCC1)c1cc(F)c(F)c([O-])c1F ZINC000183620835 1043051456 /nfs/dbraw/zinc/05/14/56/1043051456.db2.gz WVSVIODPFGBJLN-UHFFFAOYSA-N -1 0 335.325 4.009 20 0 EIADRM CC(C)(C)c1ccc(CCCC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000507294437 1043062840 /nfs/dbraw/zinc/06/28/40/1043062840.db2.gz GPOJJPXNJVGDPR-UHFFFAOYSA-N -1 0 345.483 4.066 20 0 EIADRM Cc1c2cccc(Cl)c2oc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000013261514 1043070319 /nfs/dbraw/zinc/07/03/19/1043070319.db2.gz WYCWCWWHFXPVJN-UHFFFAOYSA-N -1 0 343.766 4.023 20 0 EIADRM O=C(Nc1ccc(O)c(Cl)c1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184001973 1043071783 /nfs/dbraw/zinc/07/17/83/1043071783.db2.gz LTVKRLCOQGTFQA-ZJUUUORDSA-N -1 0 341.716 4.205 20 0 EIADRM CC[C@H](C)Oc1cccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1 ZINC000391899017 1043074647 /nfs/dbraw/zinc/07/46/47/1043074647.db2.gz FHJSVHQDHXLXOC-AWEZNQCLSA-N -1 0 333.428 4.228 20 0 EIADRM O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000013250087 1043088021 /nfs/dbraw/zinc/08/80/21/1043088021.db2.gz AQZIVTFKUJWPTC-LBPRGKRZSA-N -1 0 338.190 4.190 20 0 EIADRM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000262137937 1043088154 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CCC(=O)c1ccc([O-])c(NC(=O)c2cc3ccccc3nc2C)c1 ZINC000436647664 1041403728 /nfs/dbraw/zinc/40/37/28/1041403728.db2.gz RGYHRBSEKTXGQO-UHFFFAOYSA-N -1 0 334.375 4.094 20 0 EIADRM CSc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])ccn1 ZINC000436672282 1041411210 /nfs/dbraw/zinc/41/12/10/1041411210.db2.gz MWBYCYPPKUGWKR-UHFFFAOYSA-N -1 0 329.208 4.068 20 0 EIADRM CC(=O)c1ccc([O-])c(NC(=O)c2occc2-c2ccc(F)cc2)c1 ZINC000436679572 1041417562 /nfs/dbraw/zinc/41/75/62/1041417562.db2.gz KSMUVPNLRVXBDO-UHFFFAOYSA-N -1 0 339.322 4.246 20 0 EIADRM O=C(NCCc1cccc(Cl)c1Cl)c1ccc([O-])c(Cl)c1 ZINC000436683022 1041419296 /nfs/dbraw/zinc/41/92/96/1041419296.db2.gz XDQFHQSKUNEAFV-UHFFFAOYSA-N -1 0 344.625 4.325 20 0 EIADRM O=C([O-])CCC1CCN(C(=O)C2(c3cccs3)CCCCC2)CC1 ZINC000538586918 1041423923 /nfs/dbraw/zinc/42/39/23/1041423923.db2.gz XDISQDUPSAVIML-UHFFFAOYSA-N -1 0 349.496 4.053 20 0 EIADRM CC[C@@H]1CCc2c(sc3[nH]c(-c4ccc([O-])c(F)c4)nc(=O)c23)C1 ZINC000436698566 1041432071 /nfs/dbraw/zinc/43/20/71/1041432071.db2.gz QDUGPRYZUKYHAF-SECBINFHSA-N -1 0 344.411 4.424 20 0 EIADRM O=C(NCCc1csc2ccccc12)c1ccc([O-])c(Cl)c1 ZINC000436716158 1041439016 /nfs/dbraw/zinc/43/90/16/1041439016.db2.gz ZTSJHJIYPSZSKZ-UHFFFAOYSA-N -1 0 331.824 4.233 20 0 EIADRM CCCCc1n[n-]c(=NCc2ccc(-c3ccc(F)cc3C)o2)o1 ZINC000538591763 1041442543 /nfs/dbraw/zinc/44/25/43/1041442543.db2.gz HNIXGHHTURXSRW-UHFFFAOYSA-N -1 0 329.375 4.154 20 0 EIADRM Cc1c(CNC(=O)c2ccc([O-])c(Cl)c2)oc2ccc(F)cc12 ZINC000436744739 1041452032 /nfs/dbraw/zinc/45/20/32/1041452032.db2.gz PFZCOORHZRRXEW-UHFFFAOYSA-N -1 0 333.746 4.169 20 0 EIADRM Cc1cccc2nc(N3CCC[C@@H]3c3nc(C(=O)[O-])cs3)sc21 ZINC000516185296 1041454332 /nfs/dbraw/zinc/45/43/32/1041454332.db2.gz YQUSQKVYHWBOCA-GFCCVEGCSA-N -1 0 345.449 4.101 20 0 EIADRM C[C@@H](CCc1ccco1)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436746983 1041460478 /nfs/dbraw/zinc/46/04/78/1041460478.db2.gz JEPZRXJOGAUOPA-VIFPVBQESA-N -1 0 328.195 4.043 20 0 EIADRM C[C@@H](N=c1nc(-c2ccccc2)[n-]s1)c1ccccc1OC(F)F ZINC000461454421 1041460743 /nfs/dbraw/zinc/46/07/43/1041460743.db2.gz SPDVJSHWSKHDBP-LLVKDONJSA-N -1 0 347.390 4.402 20 0 EIADRM CC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436772994 1041468147 /nfs/dbraw/zinc/46/81/47/1041468147.db2.gz PVWNMSLKPJCLHT-CQSZACIVSA-N -1 0 335.806 4.278 20 0 EIADRM O=C(c1cc(-c2ccccc2)cc(Cl)c1[O-])N1CCC(F)(F)C1 ZINC000436767691 1041476257 /nfs/dbraw/zinc/47/62/57/1041476257.db2.gz HGHDXFMFCOYEMH-UHFFFAOYSA-N -1 0 337.753 4.194 20 0 EIADRM O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000436807654 1041491193 /nfs/dbraw/zinc/49/11/93/1041491193.db2.gz JPWSATWGHYVXGO-UHFFFAOYSA-N -1 0 331.677 4.038 20 0 EIADRM O=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cc(F)c([O-])c(F)c1 ZINC000436815233 1041492398 /nfs/dbraw/zinc/49/23/98/1041492398.db2.gz KDSVSOUKXMKBMX-UHFFFAOYSA-N -1 0 336.096 4.369 20 0 EIADRM Cc1cc(Br)c(O)c(NC(=O)c2ccoc2C(C)C)c1 ZINC000480732613 1041494630 /nfs/dbraw/zinc/49/46/30/1041494630.db2.gz SSEUTPYJRYLMQR-UHFFFAOYSA-N -1 0 338.201 4.432 20 0 EIADRM C[C@H](C(=O)[O-])c1cccc(-c2cc(F)ccc2OC[C@H]2CCOC2)c1 ZINC000568664036 1041503837 /nfs/dbraw/zinc/50/38/37/1041503837.db2.gz IIGRIXYGJQJEQJ-KBPBESRZSA-N -1 0 344.382 4.096 20 0 EIADRM Cc1c(NC(=O)c2ccc([O-])c(Cl)c2)cccc1-c1ncco1 ZINC000436825541 1041504750 /nfs/dbraw/zinc/50/47/50/1041504750.db2.gz LULZIANVLYSFGW-UHFFFAOYSA-N -1 0 328.755 4.261 20 0 EIADRM C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccccc1Cl ZINC000436853407 1041506483 /nfs/dbraw/zinc/50/64/83/1041506483.db2.gz CABHXLDUYVKEHU-MRVPVSSYSA-N -1 0 328.170 4.329 20 0 EIADRM CCC(=O)c1ccc([O-])c(NC(=O)c2c(C)nc3ccccc3c2C)c1 ZINC000436840508 1041510058 /nfs/dbraw/zinc/51/00/58/1041510058.db2.gz WZODXUCJTRKXFJ-UHFFFAOYSA-N -1 0 348.402 4.402 20 0 EIADRM Cc1cccc([C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])C2)c1 ZINC000436841890 1041510083 /nfs/dbraw/zinc/51/00/83/1041510083.db2.gz BORSQDQONXLGLH-CYBMUJFWSA-N -1 0 333.790 4.123 20 0 EIADRM CCC(CC)CN(CC)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436848089 1041516285 /nfs/dbraw/zinc/51/62/85/1041516285.db2.gz NAFHYRRICWBRDY-UHFFFAOYSA-N -1 0 346.240 4.192 20 0 EIADRM Cc1nc2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc2s1 ZINC000436851381 1041518724 /nfs/dbraw/zinc/51/87/24/1041518724.db2.gz DMGNLXRMCXPVTL-UHFFFAOYSA-N -1 0 336.775 4.355 20 0 EIADRM Cc1ccc(SCCNC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000436861295 1041520330 /nfs/dbraw/zinc/52/03/30/1041520330.db2.gz KJLOFQAYROIBFS-UHFFFAOYSA-N -1 0 339.819 4.015 20 0 EIADRM CC(=O)c1ccc([O-])c(NC(=O)c2ccc(Oc3ccccc3)o2)c1 ZINC000436860849 1041520344 /nfs/dbraw/zinc/52/03/44/1041520344.db2.gz IIXDZCXDYGGFQO-UHFFFAOYSA-N -1 0 337.331 4.232 20 0 EIADRM C[C@@H](NC(=O)c1ccc(F)cc1[O-])c1ccc(-c2ccncc2)cc1 ZINC000436870500 1041530409 /nfs/dbraw/zinc/53/04/09/1041530409.db2.gz PXIKCLCQGMYTJC-CYBMUJFWSA-N -1 0 336.366 4.084 20 0 EIADRM [O-]c1cc(Cl)ccc1-c1nc(-c2ccccc2OC(F)F)no1 ZINC000436893587 1041534357 /nfs/dbraw/zinc/53/43/57/1041534357.db2.gz ODCVRVYSOSYASZ-UHFFFAOYSA-N -1 0 338.697 4.364 20 0 EIADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000436895050 1041535614 /nfs/dbraw/zinc/53/56/14/1041535614.db2.gz SVRGIHZOZNODPA-UHFFFAOYSA-N -1 0 349.764 4.253 20 0 EIADRM O=C(Nc1nc2c(s1)CCCCC2)c1cc(F)c([O-])c(Cl)c1 ZINC000436882695 1041540470 /nfs/dbraw/zinc/54/04/70/1041540470.db2.gz UUBXMYYABIKTDO-UHFFFAOYSA-N -1 0 340.807 4.162 20 0 EIADRM CCCCCn1nc(C)cc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436933351 1041563606 /nfs/dbraw/zinc/56/36/06/1041563606.db2.gz BTMQJMOIGGRKRI-UHFFFAOYSA-N -1 0 339.798 4.132 20 0 EIADRM CCC(C)(C)OCc1ccccc1NC(=O)c1ccc(O)cc1O ZINC000436937592 1041566643 /nfs/dbraw/zinc/56/66/43/1041566643.db2.gz GJVDJYPAYRHGPQ-UHFFFAOYSA-N -1 0 329.396 4.055 20 0 EIADRM Cc1cc(NC(=O)c2c([O-])cccc2F)ccc1Oc1cccnc1 ZINC000436963178 1041571575 /nfs/dbraw/zinc/57/15/75/1041571575.db2.gz YNDUGUGHIDDABR-UHFFFAOYSA-N -1 0 338.338 4.279 20 0 EIADRM CC1(c2ccccc2)CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000436963675 1041572038 /nfs/dbraw/zinc/57/20/38/1041572038.db2.gz FDNXDBKNUJRPTQ-UHFFFAOYSA-N -1 0 347.817 4.379 20 0 EIADRM O=C(c1cc(F)c([O-])c(F)c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000436969252 1041573679 /nfs/dbraw/zinc/57/36/79/1041573679.db2.gz YAFSLCPRWMZAPG-UHFFFAOYSA-N -1 0 349.764 4.253 20 0 EIADRM CC1(C)CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C[C@@H]1c1ccccc1 ZINC000436960332 1041576697 /nfs/dbraw/zinc/57/66/97/1041576697.db2.gz CNWPOTBJMHXROX-CQSZACIVSA-N -1 0 347.817 4.451 20 0 EIADRM O=C(c1c([O-])cccc1F)N1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000436977606 1041579584 /nfs/dbraw/zinc/57/95/84/1041579584.db2.gz RZWJFUNATNAAEK-UHFFFAOYSA-N -1 0 347.336 4.129 20 0 EIADRM CCCOc1ccc2c(c1)CCN(C(=O)c1ccc([O-])c(Cl)c1)C2 ZINC000436992511 1041584722 /nfs/dbraw/zinc/58/47/22/1041584722.db2.gz ZOBFIHBODABADJ-UHFFFAOYSA-N -1 0 345.826 4.033 20 0 EIADRM CCCc1nc(=N[C@H](C)c2ccc(OCC(F)(F)F)cc2)s[n-]1 ZINC000461783465 1041586267 /nfs/dbraw/zinc/58/62/67/1041586267.db2.gz HUUFUXXNWIZTBJ-SNVBAGLBSA-N -1 0 345.390 4.027 20 0 EIADRM Cc1ccc([C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3[O-])C2)c(C)c1 ZINC000436998467 1041594790 /nfs/dbraw/zinc/59/47/90/1041594790.db2.gz HIGTUSOVPWKKAU-CYBMUJFWSA-N -1 0 347.817 4.431 20 0 EIADRM Cc1ccc(NC(=O)C[C@@H](C)Cc2cccc(F)c2)cc1C(=O)[O-] ZINC000540702692 1041604030 /nfs/dbraw/zinc/60/40/30/1041604030.db2.gz WCVZLMZUJLJWPQ-LBPRGKRZSA-N -1 0 329.371 4.040 20 0 EIADRM Cc1cccc(O)c1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000540697446 1041612762 /nfs/dbraw/zinc/61/27/62/1041612762.db2.gz SKNYQISIFHIQAD-UHFFFAOYSA-N -1 0 347.823 4.308 20 0 EIADRM CSCc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000463522155 1041614954 /nfs/dbraw/zinc/61/49/54/1041614954.db2.gz HYLBMBVJOASJBG-UHFFFAOYSA-N -1 0 345.848 4.143 20 0 EIADRM Cc1cc(F)ccc1-c1ccc(CN=c2[n-]nc(CC(C)C)o2)o1 ZINC000540791313 1041673459 /nfs/dbraw/zinc/67/34/59/1041673459.db2.gz SBIFIJTWHFXIBO-UHFFFAOYSA-N -1 0 329.375 4.010 20 0 EIADRM Fc1ccccc1-c1ccc(CN=c2[n-]nc(-c3ccco3)o2)s1 ZINC000540808362 1041683281 /nfs/dbraw/zinc/68/32/81/1041683281.db2.gz VKISECMWWPNWRM-UHFFFAOYSA-N -1 0 341.367 4.231 20 0 EIADRM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)cc1 ZINC000437318873 1041753542 /nfs/dbraw/zinc/75/35/42/1041753542.db2.gz PPXRQXMGNBNLRZ-UHFFFAOYSA-N -1 0 338.498 4.266 20 0 EIADRM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccc([O-])c(Cl)c1 ZINC000437368712 1041769545 /nfs/dbraw/zinc/76/95/45/1041769545.db2.gz BXWVDIPXUATCBP-IINYFYTJSA-N -1 0 340.181 4.124 20 0 EIADRM Cc1cccc(S(=O)(=O)[N-]c2scnc2-c2ccccc2)c1F ZINC000541007322 1041770324 /nfs/dbraw/zinc/77/03/24/1041770324.db2.gz OQLWFQHEMNRVJN-UHFFFAOYSA-N -1 0 348.424 4.058 20 0 EIADRM C[C@@H]1CCC[C@@H](OCc2cccc([N-]S(=O)(=O)c3ccco3)c2)C1 ZINC000437657557 1041871878 /nfs/dbraw/zinc/87/18/78/1041871878.db2.gz VBKPLIWOPSQLAA-RHSMWYFYSA-N -1 0 349.452 4.176 20 0 EIADRM C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1ccco1)c1ccccc1 ZINC000437670935 1041875031 /nfs/dbraw/zinc/87/50/31/1041875031.db2.gz HEHIWPJUACHQLW-CQSZACIVSA-N -1 0 343.404 4.220 20 0 EIADRM COc1cc(/C=C\c2ccc3ccccc3n2)ccc1OCCC(=O)[O-] ZINC000541417465 1041937530 /nfs/dbraw/zinc/93/75/30/1041937530.db2.gz WKYAYEWMYNWIJH-TWGQIWQCSA-N -1 0 349.386 4.267 20 0 EIADRM O=C(N[C@@H](c1ccccc1)C1CC1)c1cccc(Br)c1[O-] ZINC000517347663 1041976828 /nfs/dbraw/zinc/97/68/28/1041976828.db2.gz CCDRVIJEPRMCPB-HNNXBMFYSA-N -1 0 346.224 4.036 20 0 EIADRM CC1(C)CCN(C(=O)c2cc(F)c(F)c([O-])c2F)c2ccccc21 ZINC000425960604 1042087114 /nfs/dbraw/zinc/08/71/14/1042087114.db2.gz PARGYBPAPITKCZ-UHFFFAOYSA-N -1 0 335.325 4.138 20 0 EIADRM Cc1occc1-c1n[n-]c(=NCc2cnc(C3CCCCC3)s2)o1 ZINC000541825334 1042129842 /nfs/dbraw/zinc/12/98/42/1042129842.db2.gz UEHMSFGNEKAZNP-UHFFFAOYSA-N -1 0 344.440 4.176 20 0 EIADRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n(CC)n2)cc1 ZINC000426005658 1042175682 /nfs/dbraw/zinc/17/56/82/1042175682.db2.gz CNABOVUANJVPLH-ZDUSSCGKSA-N -1 0 347.484 4.095 20 0 EIADRM Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000261955525 1042255374 /nfs/dbraw/zinc/25/53/74/1042255374.db2.gz QRDTVCWZCAJEPK-UHFFFAOYSA-N -1 0 348.399 4.199 20 0 EIADRM 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1060188272 /nfs/dbraw/zinc/18/82/72/1060188272.db2.gz MTSPSSLAQMSOPD-UHFFFAOYSA-N -1 0 345.399 4.328 20 0 EIADRM COc1ccc2cc(NC(=O)c3c([O-])cc(F)cc3F)ccc2c1 ZINC000804309287 1060652053 /nfs/dbraw/zinc/65/20/53/1060652053.db2.gz ZAAXWYRIBJJKHE-UHFFFAOYSA-N -1 0 329.302 4.085 20 0 EIADRM O=c1cc(CNc2c(C(F)(F)F)cccc2C(F)(F)F)o[n-]1 ZINC001169484300 1060829695 /nfs/dbraw/zinc/82/96/95/1060829695.db2.gz LOSYLUBAZSSCBM-UHFFFAOYSA-N -1 0 326.196 4.030 20 0 EIADRM O=C([N-]OCC(F)(F)F)[C@H](Sc1ccccc1)c1ccccc1 ZINC000766758210 1060864808 /nfs/dbraw/zinc/86/48/08/1060864808.db2.gz ISLBRGCABFXIPZ-CQSZACIVSA-N -1 0 341.354 4.130 20 0 EIADRM S=c1[n-]c2cc(N[C@@H]3CCO[C@@H](c4ccccc4)C3)ccc2o1 ZINC001169756487 1060943235 /nfs/dbraw/zinc/94/32/35/1060943235.db2.gz BMZYGSSGTUKDJO-RHSMWYFYSA-N -1 0 326.421 4.449 20 0 EIADRM O=C([O-])Cc1c[nH]c2cc(Cl)c(N[C@@H]3C[C@H]3c3ccccc3)cc12 ZINC001169816496 1060986157 /nfs/dbraw/zinc/98/61/57/1060986157.db2.gz PBBNNBDFMWFEGD-SUMWQHHRSA-N -1 0 340.810 4.416 20 0 EIADRM O=C([O-])c1ccc2c(c1)CCN2C(=O)CCc1ccc2ccccc2c1 ZINC000766842021 1060986331 /nfs/dbraw/zinc/98/63/31/1060986331.db2.gz WLWPYZWZYVDEMH-UHFFFAOYSA-N -1 0 345.398 4.060 20 0 EIADRM O=C([O-])c1cc(NC(=O)c2cccc(OC3CCCC3)c2)ccc1F ZINC000767090656 1061109394 /nfs/dbraw/zinc/10/93/94/1061109394.db2.gz WBVOOUSUOGQAPH-UHFFFAOYSA-N -1 0 343.354 4.098 20 0 EIADRM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000767089090 1061109434 /nfs/dbraw/zinc/10/94/34/1061109434.db2.gz TWIIDPBHVMUFGH-XXYUJHKVSA-N -1 0 341.382 4.131 20 0 EIADRM O=C(/C=C/c1ccsc1)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000767169722 1061124389 /nfs/dbraw/zinc/12/43/89/1061124389.db2.gz IWSSLCLNHVAYAH-OWOJBTEDSA-N -1 0 349.458 4.052 20 0 EIADRM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000767207207 1061148264 /nfs/dbraw/zinc/14/82/64/1061148264.db2.gz JBMHBCXEZBQKGF-LBPRGKRZSA-N -1 0 345.370 4.053 20 0 EIADRM CCC(CC)(C(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000767204753 1061148416 /nfs/dbraw/zinc/14/84/16/1061148416.db2.gz BBTHJDIFORAUOW-UHFFFAOYSA-N -1 0 329.371 4.220 20 0 EIADRM O=C([O-])c1cc(Cl)cc(NC(=O)[C@H]2SCCc3ccccc32)c1 ZINC000767180407 1061152623 /nfs/dbraw/zinc/15/26/23/1061152623.db2.gz RWVTXGYFJRONBO-HNNXBMFYSA-N -1 0 347.823 4.007 20 0 EIADRM Cc1nc(Cl)sc1S(=O)(=O)[N-]c1ccc2ccccc2c1 ZINC000037985245 213183089 /nfs/dbraw/zinc/18/30/89/213183089.db2.gz ARFRVDVSUHKWJO-UHFFFAOYSA-N -1 0 338.841 4.059 20 0 EIADRM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCCCC(=O)[O-] ZINC000037829112 526052613 /nfs/dbraw/zinc/05/26/13/526052613.db2.gz MGCWZSLFRWGMSY-SNVBAGLBSA-N -1 0 332.227 4.158 20 0 EIADRM