smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)[N-]c2c3nonc3ccc2Cl)o1 ZINC001339438456 936372766 /nfs/dbraw/zinc/37/27/66/936372766.db2.gz OQPCDCZPCYOJKV-UHFFFAOYSA-N -1 3 277.667 3.030 20 10 CGCDHM COc1cccc(F)c1CNCc1cc(F)cc(F)c1[O-] ZINC001308535670 933127399 /nfs/dbraw/zinc/12/73/99/933127399.db2.gz RTGXQDYKGAJTFG-UHFFFAOYSA-N -1 3 297.276 3.108 20 10 CGCDHM CC[C@H](C)C[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001312086031 933336275 /nfs/dbraw/zinc/33/62/75/933336275.db2.gz GVKKUUMMOFNDPB-WDEREUQCSA-N -1 3 282.359 3.155 20 10 CGCDHM [O-]c1c(F)cccc1CN[C@@H](CF)c1ccc(F)cc1 ZINC001474676097 933665297 /nfs/dbraw/zinc/66/52/97/933665297.db2.gz WJGCDKVTWGEHPE-AWEZNQCLSA-N -1 3 281.277 3.471 20 10 CGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])C1CCCCCC1 ZINC001466757564 937712308 /nfs/dbraw/zinc/71/23/08/937712308.db2.gz UYRRQSQHAXWMOI-LLVKDONJSA-N -1 3 277.364 3.187 20 10 CGCDHM Cc1sccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC001471086622 937761551 /nfs/dbraw/zinc/76/15/51/937761551.db2.gz ZISPPRPJHXTCPO-UHFFFAOYSA-N -1 3 263.318 3.028 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@H](C)OCC23CCC3)cc1Cl ZINC001474612714 937870262 /nfs/dbraw/zinc/87/02/62/937870262.db2.gz PLFXYMIURONESX-LBPRGKRZSA-N -1 3 295.810 3.497 20 10 CGCDHM [O-]c1cc(Cl)ccc1CNc1cccc2c1OCO2 ZINC001560751101 938274005 /nfs/dbraw/zinc/27/40/05/938274005.db2.gz JAJSKPGNLPSXPY-UHFFFAOYSA-N -1 3 277.707 3.386 20 10 CGCDHM C[C@H]([NH2+][C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1[O-] ZINC001589123179 963342683 /nfs/dbraw/zinc/34/26/83/963342683.db2.gz JRPABNKOEKHIPO-KNXALSJPSA-N -1 3 297.354 3.356 20 10 CGCDHM C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])CC(F)F ZINC001592707329 979188133 /nfs/dbraw/zinc/18/81/33/979188133.db2.gz ZDABFRRDGLVELZ-BDAKNGLRSA-N -1 3 287.306 3.032 20 10 CGCDHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000193073092 375821949 /nfs/dbraw/zinc/82/19/49/375821949.db2.gz VNAUELVKRZUSAI-GXTWGEPZSA-N -1 3 297.354 3.116 20 10 CGCDHM CC(C)(C)c1nnc(NCc2c([O-])cccc2Cl)o1 ZINC000273630602 378757839 /nfs/dbraw/zinc/75/78/39/378757839.db2.gz SKGVKVMQAHQFBZ-UHFFFAOYSA-N -1 3 281.743 3.338 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ccccc1[O-])c1c(F)cncc1F ZINC000285707424 380152340 /nfs/dbraw/zinc/15/23/40/380152340.db2.gz PHEQEMDYOOZZNH-VHSXEESVSA-N -1 3 278.302 3.477 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1CCCc2c[nH]nc21 ZINC000365166017 382282201 /nfs/dbraw/zinc/28/22/01/382282201.db2.gz DLPFAGUVVJUMAY-NSHDSACASA-N -1 3 295.745 3.075 20 10 CGCDHM CCOCCN(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000156088842 261113781 /nfs/dbraw/zinc/11/37/81/261113781.db2.gz ZJTCUXXYFJWNMG-UHFFFAOYSA-N -1 3 278.179 3.167 20 10 CGCDHM Cc1ccccc1[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000186982110 262119939 /nfs/dbraw/zinc/11/99/39/262119939.db2.gz SFCYUKRGCYJZDB-OAHLLOKOSA-N -1 3 297.354 3.384 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CCC[C@@H](OCC2CC2)C1 ZINC000368735262 267200173 /nfs/dbraw/zinc/20/01/73/267200173.db2.gz ZBUMBGQGDQKPFM-CQSZACIVSA-N -1 3 295.810 3.437 20 10 CGCDHM C[C@H](N[C@@H](C)c1ccc2ccccc2c1[O-])c1nncn1C ZINC000273598060 334767828 /nfs/dbraw/zinc/76/78/28/334767828.db2.gz RCQSLIVYBHOYOI-RYUDHWBXSA-N -1 3 296.374 3.086 20 10 CGCDHM CCc1nnc(CN[C@@H](CC)c2ccc(F)cc2[O-])s1 ZINC000290267502 522744081 /nfs/dbraw/zinc/74/40/81/522744081.db2.gz VUTRRVXKLDCROS-NSHDSACASA-N -1 3 295.383 3.186 20 10 CGCDHM CCc1nnc(NCc2c([O-])cccc2Cl)s1 ZINC000225935239 522776954 /nfs/dbraw/zinc/77/69/54/522776954.db2.gz ZMGBNNQBQQAOPE-UHFFFAOYSA-N -1 3 269.757 3.072 20 10 CGCDHM Cc1csc(CN[C@@H](C)c2ccc(F)cc2[O-])n1 ZINC000062747902 526359775 /nfs/dbraw/zinc/35/97/75/526359775.db2.gz DRDKOYRPGDVJSF-VIFPVBQESA-N -1 3 266.341 3.147 20 10 CGCDHM CC(C)(C)C[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000731872394 572430999 /nfs/dbraw/zinc/43/09/99/572430999.db2.gz HZMZPNCWIIYSHM-JTQLQIEISA-N -1 3 267.394 3.495 20 10 CGCDHM CCCC[C@H](CC)CNC(=O)c1cc([O-])cs1 ZINC000731868056 572433027 /nfs/dbraw/zinc/43/30/27/572433027.db2.gz JVVAWANMPUTCRI-JTQLQIEISA-N -1 3 255.383 3.400 20 10 CGCDHM CC(C)(C)c1csc(CNC(=O)c2cc([O-])cs2)n1 ZINC000732287941 572459228 /nfs/dbraw/zinc/45/92/28/572459228.db2.gz JOGNMFGUSIVUIK-UHFFFAOYSA-N -1 3 296.417 3.138 20 10 CGCDHM Cn1ccc2ccc(NC(=O)c3cc([O-])cs3)cc21 ZINC000743318211 572647291 /nfs/dbraw/zinc/64/72/91/572647291.db2.gz CYVMRAWICSLXRL-UHFFFAOYSA-N -1 3 272.329 3.198 20 10 CGCDHM C[C@@H](NC(=O)c1cc([O-])cs1)C1CCCCC1 ZINC000743549602 572670858 /nfs/dbraw/zinc/67/08/58/572670858.db2.gz XWKDAAYHPQYVDZ-SECBINFHSA-N -1 3 253.367 3.152 20 10 CGCDHM COc1cccc(F)c1[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000743711911 572680477 /nfs/dbraw/zinc/68/04/77/572680477.db2.gz FRONPCSUGSKXCY-MRVPVSSYSA-N -1 3 295.335 3.092 20 10 CGCDHM O=C(Nc1ccc(-c2ncc[nH]2)cc1)c1cc([O-])cs1 ZINC000734862202 572690094 /nfs/dbraw/zinc/69/00/94/572690094.db2.gz GJBVDCXEAPUSAV-UHFFFAOYSA-N -1 3 285.328 3.096 20 10 CGCDHM CCCC[C@@H](C(=O)OC)N(CCC)Cc1ccccc1[O-] ZINC000743870584 572694546 /nfs/dbraw/zinc/69/45/46/572694546.db2.gz YEOHTVLXLVCOIX-HNNXBMFYSA-N -1 3 293.407 3.336 20 10 CGCDHM CCC[N@H+](CC(=O)[O-])Cc1cc(-c2ccccc2)ccc1[O-] ZINC000829473176 604476316 /nfs/dbraw/zinc/47/63/16/604476316.db2.gz NMSPWMKXQPLYNL-UHFFFAOYSA-N -1 3 299.370 3.356 20 10 CGCDHM CCC[N@@H+](CC(=O)[O-])Cc1cc(-c2ccccc2)ccc1[O-] ZINC000829473176 604476319 /nfs/dbraw/zinc/47/63/19/604476319.db2.gz NMSPWMKXQPLYNL-UHFFFAOYSA-N -1 3 299.370 3.356 20 10 CGCDHM Cc1ccc(C(=O)Nc2ccc3ncccc3c2)c([O-])c1O ZINC000177675488 618834796 /nfs/dbraw/zinc/83/47/96/618834796.db2.gz HJUYWYQBHQLGKL-UHFFFAOYSA-N -1 3 294.310 3.207 20 10 CGCDHM [O-]c1ccc(F)cc1CN[C@H]1c2ccccc2OC[C@H]1F ZINC000896423489 620007163 /nfs/dbraw/zinc/00/71/63/620007163.db2.gz SHLYDGFZJLCDHQ-CJNGLKHVSA-N -1 3 291.297 3.093 20 10 CGCDHM COc1cccc(C)c1CNCc1c([O-])cccc1F ZINC000896636906 620041510 /nfs/dbraw/zinc/04/15/10/620041510.db2.gz GMEGMCZERONQLW-UHFFFAOYSA-N -1 3 275.323 3.138 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1cnc(C2CC2)nc1 ZINC000902089552 621141965 /nfs/dbraw/zinc/14/19/65/621141965.db2.gz DUIYMBCCCNHKIU-UHFFFAOYSA-N -1 3 275.739 3.325 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)S[C@@H](C)C2)c1[O-] ZINC000070384275 625002256 /nfs/dbraw/zinc/00/22/56/625002256.db2.gz GTUWJBWVJLJQAT-AOOOYVTPSA-N -1 3 297.395 3.060 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2CC=C(C)CC2)c1[O-] ZINC000756635154 626722933 /nfs/dbraw/zinc/72/29/33/626722933.db2.gz IVYLQPFDKSAXKB-UHFFFAOYSA-N -1 3 279.767 3.400 20 10 CGCDHM Cc1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c([O-])c1 ZINC000775408172 628091958 /nfs/dbraw/zinc/09/19/58/628091958.db2.gz XKEIRIOQRQCHBI-CYBMUJFWSA-N -1 3 298.386 3.258 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CNCc1ccco1 ZINC000775784573 628136373 /nfs/dbraw/zinc/13/63/73/628136373.db2.gz RSAYCKVSWGUKLO-UHFFFAOYSA-N -1 3 255.676 3.068 20 10 CGCDHM CSc1ccc(C)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790915775 629240930 /nfs/dbraw/zinc/24/09/30/629240930.db2.gz MHCLBYNJHOQJPH-UHFFFAOYSA-N -1 3 289.356 3.380 20 10 CGCDHM C[C@H](NCc1cc(Cl)cc(F)c1[O-])c1ccns1 ZINC000862539713 629396056 /nfs/dbraw/zinc/39/60/56/629396056.db2.gz QNRFZCXJABINRF-ZETCQYMHSA-N -1 3 286.759 3.492 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1cccc(CO)c1 ZINC000127276469 635597673 /nfs/dbraw/zinc/59/76/73/635597673.db2.gz XORMXKAHLAQCBK-UHFFFAOYSA-N -1 3 263.724 3.150 20 10 CGCDHM COc1ccc(N(C)Cc2c(F)ccc([O-])c2F)cc1F ZINC000816566119 632015323 /nfs/dbraw/zinc/01/53/23/632015323.db2.gz LSSHZLJVIPWCQU-UHFFFAOYSA-N -1 3 297.276 3.455 20 10 CGCDHM O=C(Nc1ccc(C2CCC2)cn1)c1cccc(O)c1[O-] ZINC000819025279 632366964 /nfs/dbraw/zinc/36/69/64/632366964.db2.gz HVTITAOFZALDQL-UHFFFAOYSA-N -1 3 284.315 3.013 20 10 CGCDHM C[C@H](NCc1nn(C)cc1C(F)F)c1ccc(F)cc1[O-] ZINC000866566057 633197409 /nfs/dbraw/zinc/19/74/09/633197409.db2.gz XEWAVJHSFLCOTE-QMMMGPOBSA-N -1 3 299.296 3.053 20 10 CGCDHM C[C@@]1(C2CC2)CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000826877185 633439948 /nfs/dbraw/zinc/43/99/48/633439948.db2.gz CEMCZLOKUXUFIM-HNNXBMFYSA-N -1 3 281.783 3.047 20 10 CGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1Cl ZINC000126311903 634959039 /nfs/dbraw/zinc/95/90/39/634959039.db2.gz YKDVPJKQVKQOJI-VIFPVBQESA-N -1 3 291.734 3.242 20 10 CGCDHM Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1[O-] ZINC000840997011 635101075 /nfs/dbraw/zinc/10/10/75/635101075.db2.gz GUXYAVLNNNZNIA-NSHDSACASA-N -1 3 297.782 3.041 20 10 CGCDHM Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1[O-] ZINC000840997011 635101090 /nfs/dbraw/zinc/10/10/90/635101090.db2.gz GUXYAVLNNNZNIA-NSHDSACASA-N -1 3 297.782 3.041 20 10 CGCDHM Cc1ccc(NCc2c([O-])cccc2Cl)cc1C(N)=O ZINC000129438846 636248538 /nfs/dbraw/zinc/24/85/38/636248538.db2.gz TYTSPYRIROZPNU-UHFFFAOYSA-N -1 3 290.750 3.065 20 10 CGCDHM C[C@@H](N[C@@H](C)C(F)F)c1cc(Br)ccc1[O-] ZINC000883399211 636740297 /nfs/dbraw/zinc/74/02/97/636740297.db2.gz HJWKOZQYYZXMEB-RQJHMYQMSA-N -1 3 294.139 3.459 20 10 CGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)CC(C)(C)O1 ZINC000133112064 636874119 /nfs/dbraw/zinc/87/41/19/636874119.db2.gz SIJGVYLRUFIASH-SNVBAGLBSA-N -1 3 269.772 3.045 20 10 CGCDHM CCCn1cc(N[C@H](C)c2c([O-])cccc2F)cn1 ZINC000886576438 637587396 /nfs/dbraw/zinc/58/73/96/637587396.db2.gz GJEOODAXAACLEL-SNVBAGLBSA-N -1 3 263.316 3.311 20 10 CGCDHM Cc1ccc(CN[C@@H](C)c2c([O-])cccc2F)nc1C ZINC000886623483 637614046 /nfs/dbraw/zinc/61/40/46/637614046.db2.gz FFWDSZZXRIMOFP-LBPRGKRZSA-N -1 3 274.339 3.394 20 10 CGCDHM C/C(=C/C(=O)NCc1c([O-])cccc1F)C(C)(C)C ZINC000928712596 638889812 /nfs/dbraw/zinc/88/98/12/638889812.db2.gz SLDQOHDOBVMXOA-NTMALXAHSA-N -1 3 265.328 3.140 20 10 CGCDHM CC(C)c1cccc(N(C)C(=O)c2cccc(O)c2[O-])c1 ZINC000188289266 640128333 /nfs/dbraw/zinc/12/83/33/640128333.db2.gz MQIUYMFAODDLIG-UHFFFAOYSA-N -1 3 285.343 3.498 20 10 CGCDHM Cc1oc2ccccc2c1CNC(=O)c1cccc(O)c1[O-] ZINC000193166158 640437321 /nfs/dbraw/zinc/43/73/21/640437321.db2.gz PJMXHDJLRNHATA-UHFFFAOYSA-N -1 3 297.310 3.082 20 10 CGCDHM C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000114428825 640996729 /nfs/dbraw/zinc/99/67/29/640996729.db2.gz XTNGMKYCGHEZCK-ZBEGNZNMSA-N -1 3 297.354 3.151 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C)C2)c1[O-] ZINC000037322638 798865914 /nfs/dbraw/zinc/86/59/14/798865914.db2.gz OYSSWBCZQQORBG-SNVBAGLBSA-N -1 3 281.783 3.480 20 10 CGCDHM CCOc1ccccc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC000388480321 799454076 /nfs/dbraw/zinc/45/40/76/799454076.db2.gz AUTWRDJTZWCEDE-UHFFFAOYSA-N -1 3 298.298 3.214 20 10 CGCDHM C[C@@H](N[C@H]1CCCC1(F)F)c1ccc(F)cc1[O-] ZINC000398189915 799528377 /nfs/dbraw/zinc/52/83/77/799528377.db2.gz MFDRBXRHJJHOIR-PELKAZGASA-N -1 3 259.271 3.370 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CCC(F)(F)CC1 ZINC000404807919 799579442 /nfs/dbraw/zinc/57/94/42/799579442.db2.gz VBSMRFCGYNOTBA-UHFFFAOYSA-N -1 3 261.699 3.277 20 10 CGCDHM C[C@]1(C(F)(F)F)CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000708435309 799988754 /nfs/dbraw/zinc/98/87/54/799988754.db2.gz ZLUCDVHUVLSXDZ-LBPRGKRZSA-N -1 3 295.251 3.445 20 10 CGCDHM [O-]c1cccc(F)c1CN1CC[C@@H]1c1ccccc1 ZINC001137839120 803779819 /nfs/dbraw/zinc/77/98/19/803779819.db2.gz RRVMEKWBPBPGFH-OAHLLOKOSA-N -1 3 257.308 3.478 20 10 CGCDHM CN(Cc1ccccc1O)Cc1c([O-])c(F)ccc1F ZINC001139686030 804254129 /nfs/dbraw/zinc/25/41/29/804254129.db2.gz KMRPLTFGLLTACC-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM C[C@@]1(CF)CC(F)(F)CN1Cc1cc(F)ccc1[O-] ZINC001140058314 804364440 /nfs/dbraw/zinc/36/44/40/804364440.db2.gz WVEUUXACQFGJQA-LBPRGKRZSA-N -1 3 277.261 3.101 20 10 CGCDHM Cc1nc2c(s1)CN(Cc1c([O-])cccc1Cl)CC2 ZINC001140341191 804420750 /nfs/dbraw/zinc/42/07/50/804420750.db2.gz BKGWDFWDRAMTJV-UHFFFAOYSA-N -1 3 294.807 3.369 20 10 CGCDHM CC(C)(C)[C@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC001142066557 804694063 /nfs/dbraw/zinc/69/40/63/804694063.db2.gz UFSZGBBKNDJSJU-NWDGAFQWSA-N -1 3 277.364 3.042 20 10 CGCDHM CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])CC1 ZINC001148225249 805169332 /nfs/dbraw/zinc/16/93/32/805169332.db2.gz HRQKWMYSGQDKNP-TXEJJXNPSA-N -1 3 291.391 3.433 20 10 CGCDHM Cc1ccc(CC(=O)NCc2c([O-])cccc2F)cc1C ZINC001178409249 809864616 /nfs/dbraw/zinc/86/46/16/809864616.db2.gz BYPUXQFBIRBINW-UHFFFAOYSA-N -1 3 287.334 3.007 20 10 CGCDHM [O-]c1c(F)cccc1CNc1cccc2c1OCC2 ZINC001206680459 813398057 /nfs/dbraw/zinc/39/80/57/813398057.db2.gz KNMLGWVPMOVNSH-UHFFFAOYSA-N -1 3 259.280 3.078 20 10 CGCDHM CCCC[NH+](CCCC)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231563892 818124670 /nfs/dbraw/zinc/12/46/70/818124670.db2.gz GAJJXXXSVPTTPH-UHFFFAOYSA-N -1 3 279.380 3.493 20 10 CGCDHM CC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231870334 818194441 /nfs/dbraw/zinc/19/44/41/818194441.db2.gz UVYMPYIRFFUNKK-AWEZNQCLSA-N -1 3 281.783 3.298 20 10 CGCDHM Cc1nc2c(o1)CCN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001231871267 818194757 /nfs/dbraw/zinc/19/47/57/818194757.db2.gz IATNCKRCFHLCBS-UHFFFAOYSA-N -1 3 292.766 3.209 20 10 CGCDHM CCCOC1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334669 818585569 /nfs/dbraw/zinc/58/55/69/818585569.db2.gz PIGLXUXFJLGOEU-UHFFFAOYSA-N -1 3 285.334 3.061 20 10 CGCDHM [O-]c1c(Br)cc(F)cc1CN1CCCCC1 ZINC001235300381 819064118 /nfs/dbraw/zinc/06/41/18/819064118.db2.gz YGSZUPLTVISYJY-UHFFFAOYSA-N -1 3 288.160 3.280 20 10 CGCDHM C[C@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235300401 819064539 /nfs/dbraw/zinc/06/45/39/819064539.db2.gz YJJQWMXEIMZMGX-QMMMGPOBSA-N -1 3 288.160 3.136 20 10 CGCDHM CO[C@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236792556 819596299 /nfs/dbraw/zinc/59/62/99/819596299.db2.gz FCNNHMCNNKJXKE-JTQLQIEISA-N -1 3 290.190 3.310 20 10 CGCDHM COc1cc([O-])c(CN(C)C2CC(F)(F)C2)c(Cl)c1 ZINC001236797810 819600360 /nfs/dbraw/zinc/60/03/60/819600360.db2.gz JJJFAKBRISUAAH-UHFFFAOYSA-N -1 3 291.725 3.284 20 10 CGCDHM COc1cc([O-])c(CN(C)Cc2cncs2)c(Cl)c1 ZINC001236808647 819603975 /nfs/dbraw/zinc/60/39/75/819603975.db2.gz QONOUWBXKIYZSW-UHFFFAOYSA-N -1 3 298.795 3.143 20 10 CGCDHM C[C@H]1CC[C@@H](CO)N1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078561 819662750 /nfs/dbraw/zinc/66/27/50/819662750.db2.gz UQVLNBYCZSPPAR-IUCAKERBSA-N -1 3 290.190 3.044 20 10 CGCDHM C[C@H]1C[C@@H](CF)N(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237121400 819673928 /nfs/dbraw/zinc/67/39/28/819673928.db2.gz MHXYTUDDKJGTCR-IUCAKERBSA-N -1 3 275.726 3.365 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCNC2=CCCC[C@H]21 ZINC001237229177 819707403 /nfs/dbraw/zinc/70/74/03/819707403.db2.gz MIGSSMPWLJETQB-CQSZACIVSA-N -1 3 296.773 3.026 20 10 CGCDHM CC(C)OC(=O)[C@@H](NCc1ccc(Cl)cc1[O-])C(C)C ZINC001474534685 937205943 /nfs/dbraw/zinc/20/59/43/937205943.db2.gz FSUPXIMOYLFJJE-AWEZNQCLSA-N -1 3 299.798 3.111 20 10 CGCDHM [O-]c1cccc(F)c1CNc1ncnc2[nH]c(Cl)cc21 ZINC001458625748 937470696 /nfs/dbraw/zinc/47/06/96/937470696.db2.gz WWZKHUACKSFJSX-UHFFFAOYSA-N -1 3 292.701 3.068 20 10 CGCDHM CCOC(=O)CN(Cc1ccc(Cl)cc1[O-])CC(C)C ZINC001308559180 933133422 /nfs/dbraw/zinc/13/34/22/933133422.db2.gz CYRVFVVDJBCLKT-UHFFFAOYSA-N -1 3 299.798 3.067 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@@H](C)O[C@@H](C3CC3)C2)cc1Cl ZINC001308730954 933165825 /nfs/dbraw/zinc/16/58/25/933165825.db2.gz DHUKUBCPFVMKJP-BDJLRTHQSA-N -1 3 295.810 3.353 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC001308758065 933171421 /nfs/dbraw/zinc/17/14/21/933171421.db2.gz LKHXABNLAQONMF-CQSZACIVSA-N -1 3 291.782 3.496 20 10 CGCDHM CC[C@H]1CCCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC001468510644 937728883 /nfs/dbraw/zinc/72/88/83/937728883.db2.gz VZXIDGWYRIRJBT-RYUDHWBXSA-N -1 3 277.364 3.044 20 10 CGCDHM Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cccc(F)c1[O-] ZINC000290627185 346425449 /nfs/dbraw/zinc/42/54/49/346425449.db2.gz XRMNKWXZVPJQMR-CQSZACIVSA-N -1 3 289.354 3.208 20 10 CGCDHM Cc1cc(Cl)cc(CN2CCC[C@@H]2c2ncon2)c1[O-] ZINC000362043416 346545343 /nfs/dbraw/zinc/54/53/43/346545343.db2.gz FVMUJOQWVNJJOT-GFCCVEGCSA-N -1 3 293.754 3.074 20 10 CGCDHM Cc1csc(CNCc2cc(Cl)c(F)cc2[O-])n1 ZINC000294138194 372592160 /nfs/dbraw/zinc/59/21/60/372592160.db2.gz HGOPOQUXZXDTJG-UHFFFAOYSA-N -1 3 286.759 3.239 20 10 CGCDHM CCCN(Cc1ccccc1O)C(=O)c1cccc(C)c1[O-] ZINC000170732228 372653914 /nfs/dbraw/zinc/65/39/14/372653914.db2.gz TXNIZGNTRGEKOD-UHFFFAOYSA-N -1 3 299.370 3.459 20 10 CGCDHM CN(Cc1cccc(Cl)c1[O-])[C@@H](CO)c1ccccc1 ZINC000295062893 372690320 /nfs/dbraw/zinc/69/03/20/372690320.db2.gz OOIGFCSWVBYPFP-HNNXBMFYSA-N -1 3 291.778 3.211 20 10 CGCDHM COCCC1(C)CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000297494783 373271055 /nfs/dbraw/zinc/27/10/55/373271055.db2.gz VKIVTFGUGIRRJY-UHFFFAOYSA-N -1 3 287.762 3.043 20 10 CGCDHM CCc1cnc(CN(C)Cc2cc(F)ccc2[O-])s1 ZINC000180227164 373981402 /nfs/dbraw/zinc/98/14/02/373981402.db2.gz MAIXORCQWXLOFF-UHFFFAOYSA-N -1 3 280.368 3.182 20 10 CGCDHM Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c([O-])c1O ZINC000181897627 374187207 /nfs/dbraw/zinc/18/72/07/374187207.db2.gz PBJBMEDDIVIEFJ-ZYHUDNBSSA-N -1 3 277.364 3.057 20 10 CGCDHM Cc1ccc(CN(C)C(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000182323128 374258516 /nfs/dbraw/zinc/25/85/16/374258516.db2.gz MTAJPPVPZZHLBG-UHFFFAOYSA-N -1 3 291.372 3.048 20 10 CGCDHM COC[C@@H](N[C@@H](C)c1ccccc1[O-])c1ccc(C)o1 ZINC000183541162 374427065 /nfs/dbraw/zinc/42/70/65/374427065.db2.gz GHVWDBGPPDMZDM-GXTWGEPZSA-N -1 3 275.348 3.332 20 10 CGCDHM Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])c1 ZINC000188247828 375183297 /nfs/dbraw/zinc/18/32/97/375183297.db2.gz CNHBSMMUWPOTQM-HNNXBMFYSA-N -1 3 297.354 3.384 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H]2OCCC[C@H]2C1 ZINC000248907890 377427141 /nfs/dbraw/zinc/42/71/41/377427141.db2.gz XFEYAXQVSREDKR-IINYFYTJSA-N -1 3 299.773 3.186 20 10 CGCDHM CCc1nnc([C@H](C)N[C@@H](C)c2cc(Cl)ccc2[O-])[nH]1 ZINC000273524561 378752071 /nfs/dbraw/zinc/75/20/71/378752071.db2.gz UXSIALQTKDJNAQ-IUCAKERBSA-N -1 3 294.786 3.138 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ncn(C)n1)c1ccc2ccccc2c1[O-] ZINC000275636710 378956711 /nfs/dbraw/zinc/95/67/11/378956711.db2.gz BZTFVZHGXJAQDS-NEPJUHHUSA-N -1 3 296.374 3.086 20 10 CGCDHM CC(C)(C)c1cnc(COC(=O)c2cc([O-])cs2)o1 ZINC000733496372 572582111 /nfs/dbraw/zinc/58/21/11/572582111.db2.gz HBWQAPUHLZQUIS-UHFFFAOYSA-N -1 3 281.333 3.096 20 10 CGCDHM Cc1ccc(C(=O)N2C[C@H](C)[C@@H]2c2ccccc2)c([O-])c1O ZINC000179525173 392702115 /nfs/dbraw/zinc/70/21/15/392702115.db2.gz ULYPMOXAUXGEAU-SWLSCSKDSA-N -1 3 297.354 3.239 20 10 CGCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1ccncc1 ZINC000020140097 171027052 /nfs/dbraw/zinc/02/70/52/171027052.db2.gz IVFIPAMNZMMKLO-UHFFFAOYSA-N -1 3 283.158 3.384 20 10 CGCDHM COC[C@H](N[C@@H](C)c1cc(F)ccc1[O-])c1ccc(C)o1 ZINC000185631138 327841551 /nfs/dbraw/zinc/84/15/51/327841551.db2.gz QLLCSAQJHHLRHF-FZMZJTMJSA-N -1 3 293.338 3.471 20 10 CGCDHM CCCN(Cc1ccccc1[O-])[C@@H](C)c1nnc(C)o1 ZINC000076074287 521690953 /nfs/dbraw/zinc/69/09/53/521690953.db2.gz JWEDEGMSCQYJSV-NSHDSACASA-N -1 3 275.352 3.057 20 10 CGCDHM CCSc1cc(CNCc2cccc(F)c2[O-])ccn1 ZINC000275135633 521733932 /nfs/dbraw/zinc/73/39/32/521733932.db2.gz MHPIKMJYOQBVAD-UHFFFAOYSA-N -1 3 292.379 3.328 20 10 CGCDHM CC[C@H](OC(=O)c1cc([O-])cs1)C(=O)c1ccccc1 ZINC000738652747 572384763 /nfs/dbraw/zinc/38/47/63/572384763.db2.gz YKSHVCVOPALKBD-LBPRGKRZSA-N -1 3 290.340 3.272 20 10 CGCDHM Cc1cccc(C)c1COC(=O)c1cc([O-])cs1 ZINC000738653517 572385309 /nfs/dbraw/zinc/38/53/09/572385309.db2.gz ZTDBONUQVGNNCK-UHFFFAOYSA-N -1 3 262.330 3.428 20 10 CGCDHM COc1ccc(C)cc1[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000731866551 572430531 /nfs/dbraw/zinc/43/05/31/572430531.db2.gz WIWNFBIUHCUACC-JTQLQIEISA-N -1 3 291.372 3.262 20 10 CGCDHM CCOc1ccc([C@H](C)NC(=O)c2cc([O-])cs2)cc1 ZINC000731871507 572431201 /nfs/dbraw/zinc/43/12/01/572431201.db2.gz GSLZCYDSOIDHAT-JTQLQIEISA-N -1 3 291.372 3.343 20 10 CGCDHM C[C@@H](CCc1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000731866839 572433512 /nfs/dbraw/zinc/43/35/12/572433512.db2.gz RWAYXRVHMTWRNB-NSHDSACASA-N -1 3 275.373 3.205 20 10 CGCDHM COc1cccc([O-])c1CNCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000725847285 572439707 /nfs/dbraw/zinc/43/97/07/572439707.db2.gz YMKYLSHFYOWSOU-DGCLKSJQSA-N -1 3 287.359 3.407 20 10 CGCDHM O=C(Nc1cccc2[nH]ccc21)c1cc([O-])cs1 ZINC000732282438 572458449 /nfs/dbraw/zinc/45/84/49/572458449.db2.gz NZVIGYDBVQMFIG-UHFFFAOYSA-N -1 3 258.302 3.187 20 10 CGCDHM COc1ccc(Cl)cc1COC(=O)c1cc([O-])cs1 ZINC000732354538 572461379 /nfs/dbraw/zinc/46/13/79/572461379.db2.gz UTFKUUPBMJBKFW-UHFFFAOYSA-N -1 3 298.747 3.473 20 10 CGCDHM Cc1occc1CNCc1c([O-])cccc1Cl ZINC000733325693 572556495 /nfs/dbraw/zinc/55/64/95/572556495.db2.gz UKHIXEGIWZAWCL-UHFFFAOYSA-N -1 3 251.713 3.237 20 10 CGCDHM CCCN(Cc1c([O-])ccc2ccncc21)CC(F)F ZINC000748304946 572973154 /nfs/dbraw/zinc/97/31/54/572973154.db2.gz YBPBVEDNQNNYDI-UHFFFAOYSA-N -1 3 280.318 3.418 20 10 CGCDHM Cc1ccc(C(=O)Nc2ncc(C(C)C)s2)c([O-])c1O ZINC000179521063 618794213 /nfs/dbraw/zinc/79/42/13/618794213.db2.gz GVVLBVIINQSQCE-UHFFFAOYSA-N -1 3 292.360 3.238 20 10 CGCDHM CN(Cc1nccs1)Cc1cc(Cl)ccc1[O-] ZINC000093582374 619204606 /nfs/dbraw/zinc/20/46/06/619204606.db2.gz DJHQWPFFGZTLPP-UHFFFAOYSA-N -1 3 268.769 3.134 20 10 CGCDHM CCc1nc(CNCc2c([O-])cc(C)cc2Cl)co1 ZINC000840950863 619254318 /nfs/dbraw/zinc/25/43/18/619254318.db2.gz PJPBLUJAZGBUCI-UHFFFAOYSA-N -1 3 280.755 3.194 20 10 CGCDHM C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894600704 619584126 /nfs/dbraw/zinc/58/41/26/619584126.db2.gz KTRUIVLYUFTVMT-XCBNKYQSSA-N -1 3 295.251 3.443 20 10 CGCDHM CCN(Cc1ccncc1)Cc1cc(F)cc(F)c1[O-] ZINC000894762682 619628516 /nfs/dbraw/zinc/62/85/16/619628516.db2.gz XLXGLTLZHKLWRC-UHFFFAOYSA-N -1 3 278.302 3.088 20 10 CGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C2CC2)O1 ZINC000793220111 619706289 /nfs/dbraw/zinc/70/62/89/619706289.db2.gz RATWOMGDYVSWBN-BMIGLBTASA-N -1 3 281.783 3.045 20 10 CGCDHM [O-]c1c(CN[C@H]2CCCc3cccnc32)ccc(F)c1F ZINC000897071352 620134693 /nfs/dbraw/zinc/13/46/93/620134693.db2.gz AVVKKGPSEXRICA-ZDUSSCGKSA-N -1 3 290.313 3.233 20 10 CGCDHM Cc1cc([O-])c(CN(C)Cc2cccc(=O)[nH]2)c(Cl)c1 ZINC000897391222 620282551 /nfs/dbraw/zinc/28/25/51/620282551.db2.gz JEUAMBQUNKJQRJ-UHFFFAOYSA-N -1 3 292.766 3.087 20 10 CGCDHM CCn1cccc(NCc2c([O-])cc(C)cc2Cl)c1=O ZINC000902120733 621159471 /nfs/dbraw/zinc/15/94/71/621159471.db2.gz ZUFYJWATFXCLBH-UHFFFAOYSA-N -1 3 292.766 3.148 20 10 CGCDHM CC[C@@H](NCc1csc(N)n1)c1cccc(Cl)c1[O-] ZINC000902498698 621345603 /nfs/dbraw/zinc/34/56/03/621345603.db2.gz IPQCIGGQUOONEV-LLVKDONJSA-N -1 3 297.811 3.325 20 10 CGCDHM Cc1ccn2cc(CN[C@@H](C)c3ccc(F)cc3[O-])nc2c1 ZINC000756534691 626713034 /nfs/dbraw/zinc/71/30/34/626713034.db2.gz MRXKQZCYFOHXJY-LBPRGKRZSA-N -1 3 299.349 3.338 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCOCC2(CCC2)C1 ZINC000761226472 627027411 /nfs/dbraw/zinc/02/74/11/627027411.db2.gz QHPGRANRHSPAIU-UHFFFAOYSA-N -1 3 299.773 3.187 20 10 CGCDHM Cc1[nH]nc2ncc(NCc3c([O-])cccc3Cl)cc12 ZINC000765944922 627280123 /nfs/dbraw/zinc/28/01/23/627280123.db2.gz WIMKUFFVYSANQT-UHFFFAOYSA-N -1 3 288.738 3.237 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CNCc1ccc(F)cn1 ZINC000776251354 628184782 /nfs/dbraw/zinc/18/47/82/628184782.db2.gz CCSGYGMEYYJHBH-UHFFFAOYSA-N -1 3 284.693 3.009 20 10 CGCDHM Cc1cc(C)cc([C@H](C)NC(=O)c2cccc(O)c2[O-])c1 ZINC000776652533 628224356 /nfs/dbraw/zinc/22/43/56/628224356.db2.gz NLZQCXMCMOMZMN-LBPRGKRZSA-N -1 3 285.343 3.206 20 10 CGCDHM Cc1ccc(C(=O)Nc2cncc3ccccc32)c([O-])c1O ZINC000781000733 628529341 /nfs/dbraw/zinc/52/93/41/628529341.db2.gz WJLVVLLRYOCBCU-UHFFFAOYSA-N -1 3 294.310 3.207 20 10 CGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cc2ccccc2o1 ZINC000787411718 629011404 /nfs/dbraw/zinc/01/14/04/629011404.db2.gz VNTSXUHZKXMDJV-JTQLQIEISA-N -1 3 297.310 3.335 20 10 CGCDHM CCCc1nc(C)c(NC(=O)c2cccc(O)c2[O-])s1 ZINC000790946441 629242249 /nfs/dbraw/zinc/24/22/49/629242249.db2.gz RGZIJQMCIDQJKE-UHFFFAOYSA-N -1 3 292.360 3.068 20 10 CGCDHM CC[C@@H](NCc1ncccc1F)c1ccc(F)cc1[O-] ZINC000796840267 629845938 /nfs/dbraw/zinc/84/59/38/629845938.db2.gz MMYYGGOHSNQVQT-CYBMUJFWSA-N -1 3 278.302 3.306 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCOc2cccc(F)c2C1 ZINC000802656218 630403295 /nfs/dbraw/zinc/40/32/95/630403295.db2.gz MDNLZIUHPVIWRV-UHFFFAOYSA-N -1 3 291.297 3.065 20 10 CGCDHM [O-]c1cccc(CNCc2ccc3c(c2)CCO3)c1Cl ZINC000815122714 631722879 /nfs/dbraw/zinc/72/28/79/631722879.db2.gz OVOKLRFRYVZFSP-UHFFFAOYSA-N -1 3 289.762 3.270 20 10 CGCDHM [O-]c1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816545111 632007819 /nfs/dbraw/zinc/00/78/19/632007819.db2.gz DQVCNPZEBOKYHJ-UHFFFAOYSA-N -1 3 281.714 3.180 20 10 CGCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)[C@H]2C)c1 ZINC000816648980 632035977 /nfs/dbraw/zinc/03/59/77/632035977.db2.gz RNQMJYYPQGHZLE-NXEZZACHSA-N -1 3 284.197 3.303 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666667 632040120 /nfs/dbraw/zinc/04/01/20/632040120.db2.gz SROANKNXTXHFIH-JKSUJKDBSA-N -1 3 293.794 3.189 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000816666664 632040382 /nfs/dbraw/zinc/04/03/82/632040382.db2.gz SROANKNXTXHFIH-CVEARBPZSA-N -1 3 293.794 3.189 20 10 CGCDHM Cc1cc(Cl)cc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000817880835 632229171 /nfs/dbraw/zinc/22/91/71/632229171.db2.gz JREJPLNTUVQXTJ-GHMZBOCLSA-N -1 3 297.782 3.039 20 10 CGCDHM Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000817880835 632229172 /nfs/dbraw/zinc/22/91/72/632229172.db2.gz JREJPLNTUVQXTJ-GHMZBOCLSA-N -1 3 297.782 3.039 20 10 CGCDHM C[C@@H]1C[C@H](NCc2c([O-])cccc2Cl)c2nccn21 ZINC000825017555 633318620 /nfs/dbraw/zinc/31/86/20/633318620.db2.gz ULSHAYKUZVPOCN-SKDRFNHKSA-N -1 3 277.755 3.038 20 10 CGCDHM CCCCC1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000830181429 633836944 /nfs/dbraw/zinc/83/69/44/633836944.db2.gz ZWXQLWXFUFPOCZ-UHFFFAOYSA-N -1 3 265.328 3.118 20 10 CGCDHM CCn1ncc(N[C@@H](C)c2ccc(F)cc2[O-])c1C ZINC000872136112 634058698 /nfs/dbraw/zinc/05/86/98/634058698.db2.gz CNMNCTYXKXZEFY-VIFPVBQESA-N -1 3 263.316 3.229 20 10 CGCDHM C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccc(F)cc1[O-] ZINC000834894949 634271677 /nfs/dbraw/zinc/27/16/77/634271677.db2.gz NEFDFPHMKSCKSZ-NRUUGDAUSA-N -1 3 275.327 3.084 20 10 CGCDHM Cc1cc([O-])c(CN[C@@H]2C[C@@H](C)n3ccnc32)c(Cl)c1 ZINC000840949798 635091137 /nfs/dbraw/zinc/09/11/37/635091137.db2.gz CEAJIGWRIMXSGL-ZWNOBZJWSA-N -1 3 291.782 3.346 20 10 CGCDHM [O-]c1c(CNc2ccc3c(n2)CCC3)ccc(F)c1F ZINC000877572279 635097799 /nfs/dbraw/zinc/09/77/99/635097799.db2.gz OCEIQUMDCDBERM-UHFFFAOYSA-N -1 3 276.286 3.166 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@]2(CC2(F)F)C1 ZINC000846117411 636146678 /nfs/dbraw/zinc/14/66/78/636146678.db2.gz PTAYPAMYLARNIY-GFCCVEGCSA-N -1 3 291.700 3.416 20 10 CGCDHM CCOc1ccccc1CNCc1cc(F)cc(F)c1[O-] ZINC000882912843 636460666 /nfs/dbraw/zinc/46/06/66/636460666.db2.gz DBVGVKIEDYEGQN-UHFFFAOYSA-N -1 3 293.313 3.359 20 10 CGCDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])CC2(CCCCC2)O1 ZINC000848928817 636700384 /nfs/dbraw/zinc/70/03/84/636700384.db2.gz OIRLMOJBKXJBOQ-CYBMUJFWSA-N -1 3 293.382 3.455 20 10 CGCDHM C[C@H](N[C@@H](CCO)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000886801711 637697623 /nfs/dbraw/zinc/69/76/23/637697623.db2.gz RGIPFOMBGDXVOE-CPCISQLKSA-N -1 3 297.704 3.010 20 10 CGCDHM CC[C@H](Nc1cnn(CCF)c1)c1ccc(F)cc1[O-] ZINC000858492226 638742956 /nfs/dbraw/zinc/74/29/56/638742956.db2.gz UXKPOUTZILIGIG-ZDUSSCGKSA-N -1 3 281.306 3.261 20 10 CGCDHM C[C@@H]1[C@@H](C(=O)NCc2c([O-])cccc2F)[C@@H]1c1ccccc1 ZINC000928708389 638889434 /nfs/dbraw/zinc/88/94/34/638889434.db2.gz KLMHSFAQLQGLTG-MZPVMMEZSA-N -1 3 299.345 3.197 20 10 CGCDHM CCCN(Cc1ccccc1O)C(=O)c1ccc(C)cc1[O-] ZINC000092602162 640740406 /nfs/dbraw/zinc/74/04/06/640740406.db2.gz FVBBESROPNVMMM-UHFFFAOYSA-N -1 3 299.370 3.459 20 10 CGCDHM C/C(=C/C(=O)NCc1c([O-])cccc1F)c1cccs1 ZINC001156170280 805661688 /nfs/dbraw/zinc/66/16/88/805661688.db2.gz JSIBLZDHOGLOEW-NTMALXAHSA-N -1 3 291.347 3.313 20 10 CGCDHM C[C@H](N[C@H]1CCCC1(F)F)c1cc(F)ccc1[O-] ZINC000398212090 799527923 /nfs/dbraw/zinc/52/79/23/799527923.db2.gz SRMAEKWIDGTGJD-UFBFGSQYSA-N -1 3 259.271 3.370 20 10 CGCDHM CC[C@H]1CN(Cc2cccc(Cl)c2[O-])[C@@H](CC)CO1 ZINC000403891383 799572404 /nfs/dbraw/zinc/57/24/04/799572404.db2.gz WZFOLKDVBCXFAO-STQMWFEESA-N -1 3 283.799 3.435 20 10 CGCDHM CCC(F)(F)CNCc1ccc(Br)cc1[O-] ZINC000691446205 799783995 /nfs/dbraw/zinc/78/39/95/799783995.db2.gz RVMWMUFOXXZDQN-UHFFFAOYSA-N -1 3 294.139 3.290 20 10 CGCDHM CC[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])[C@@H](CC)CO1 ZINC000708422323 799988847 /nfs/dbraw/zinc/98/88/47/799988847.db2.gz MJYCEPUHURNHCO-QWHCGFSZSA-N -1 3 285.334 3.060 20 10 CGCDHM CC(C)N(C(=O)c1cccc(O)c1[O-])C1CC(C)(C)C1 ZINC000837182643 800490634 /nfs/dbraw/zinc/49/06/34/800490634.db2.gz IMHHMVBMFCFMKE-UHFFFAOYSA-N -1 3 277.364 3.137 20 10 CGCDHM O=C1CCN(Cc2c([O-])cccc2Cl)[C@H]2CCCC[C@@H]12 ZINC001140337910 804417679 /nfs/dbraw/zinc/41/76/79/804417679.db2.gz MHVBGUDKYYMHPE-RISCZKNCSA-N -1 3 293.794 3.379 20 10 CGCDHM O=C1CCN(Cc2c([O-])cccc2Cl)[C@@H]2CCCC[C@H]12 ZINC001140337911 804418480 /nfs/dbraw/zinc/41/84/80/804418480.db2.gz MHVBGUDKYYMHPE-SMDDNHRTSA-N -1 3 293.794 3.379 20 10 CGCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@H]1CCCC[C@@H]1C ZINC001143553177 804865018 /nfs/dbraw/zinc/86/50/18/804865018.db2.gz LMNHTSWIIOPAKY-AAEUAGOBSA-N -1 3 277.364 3.139 20 10 CGCDHM C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC001148219973 805169906 /nfs/dbraw/zinc/16/99/06/805169906.db2.gz ITFZGACRICEGDL-HZMBPMFUSA-N -1 3 283.327 3.076 20 10 CGCDHM O=C(Cc1coc2ccccc12)NCc1c([O-])cccc1F ZINC001178413722 809864595 /nfs/dbraw/zinc/86/45/95/809864595.db2.gz XYGZBYNVYIXMQU-UHFFFAOYSA-N -1 3 299.301 3.136 20 10 CGCDHM [O-]c1cccc(F)c1C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001183919191 810169500 /nfs/dbraw/zinc/16/95/00/810169500.db2.gz GLLUJYZDFWPBNN-UHFFFAOYSA-N -1 3 281.714 3.180 20 10 CGCDHM Cc1cc2c(cn1)CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203663644 812420337 /nfs/dbraw/zinc/42/03/37/812420337.db2.gz CGXMPYLHNRAARV-UHFFFAOYSA-N -1 3 274.751 3.265 20 10 CGCDHM [O-]c1c(F)cccc1CN[C@H]1COc2cc(F)cc(F)c21 ZINC001205394565 812978654 /nfs/dbraw/zinc/97/86/54/812978654.db2.gz SOCUYUIKCQCQHF-LBPRGKRZSA-N -1 3 295.260 3.033 20 10 CGCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1C=CCC1 ZINC001227940070 817760674 /nfs/dbraw/zinc/76/06/74/817760674.db2.gz HWHJTPNSIRFMOK-ZDUSSCGKSA-N -1 3 296.322 3.426 20 10 CGCDHM C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447439 818100357 /nfs/dbraw/zinc/10/03/57/818100357.db2.gz UEFIVQKNMNHPML-GFCCVEGCSA-N -1 3 297.354 3.210 20 10 CGCDHM C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447439 818100362 /nfs/dbraw/zinc/10/03/62/818100362.db2.gz UEFIVQKNMNHPML-GFCCVEGCSA-N -1 3 297.354 3.210 20 10 CGCDHM Cc1cc([O-])c(CN2CC3(C2)CCCCO3)cc1Cl ZINC001231868573 818193980 /nfs/dbraw/zinc/19/39/80/818193980.db2.gz VTCUSDZDZFSHKS-UHFFFAOYSA-N -1 3 281.783 3.109 20 10 CGCDHM CCCCOC1CN(Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232264047 818297867 /nfs/dbraw/zinc/29/78/67/818297867.db2.gz DMOYKBREGGFSDD-UHFFFAOYSA-N -1 3 299.798 3.055 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@H]1c1ccncc1 ZINC001233334348 818584823 /nfs/dbraw/zinc/58/48/23/818584823.db2.gz CIMVVACDZLUQGS-AWEZNQCLSA-N -1 3 290.313 3.403 20 10 CGCDHM CN(Cc1cccc(O)c1)Cc1c([O-])ccc(F)c1F ZINC001233332661 818585984 /nfs/dbraw/zinc/58/59/84/818585984.db2.gz SXHCAZAPKVHJBA-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM COc1cc([O-])c(CN2CCC(F)(F)CC2)c(Cl)c1 ZINC001236798361 819598937 /nfs/dbraw/zinc/59/89/37/819598937.db2.gz NODIILMEOLVMTH-UHFFFAOYSA-N -1 3 291.725 3.285 20 10 CGCDHM CN(Cc1ccncn1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236803596 819601379 /nfs/dbraw/zinc/60/13/79/819601379.db2.gz NABZFXVNAAUYFU-UHFFFAOYSA-N -1 3 298.173 3.121 20 10 CGCDHM C[C@@H]1CC[C@H](O)CN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078783 819661959 /nfs/dbraw/zinc/66/19/59/819661959.db2.gz WYRNNTZVUPYBDW-BDAKNGLRSA-N -1 3 290.190 3.044 20 10 CGCDHM COC[C@H]1CCCCN1Cc1c([O-])ccc(F)c1Cl ZINC001237122127 819673528 /nfs/dbraw/zinc/67/35/28/819673528.db2.gz SERURHLVXTYFST-SNVBAGLBSA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@H]2CCCO[C@H]2C1 ZINC001237799177 819845237 /nfs/dbraw/zinc/84/52/37/819845237.db2.gz DSTZZDDWUBNCAB-YGRLFVJLSA-N -1 3 299.773 3.186 20 10 CGCDHM [O-]c1cc(Cl)ccc1CNc1cnn2c1CCCC2 ZINC001462506377 937646059 /nfs/dbraw/zinc/64/60/59/937646059.db2.gz RRULEDRAPGBCCT-UHFFFAOYSA-N -1 3 277.755 3.191 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN(CCO)c1ccccc1 ZINC001560765911 938274537 /nfs/dbraw/zinc/27/45/37/938274537.db2.gz YMNNNRYOUVNLJT-UHFFFAOYSA-N -1 3 277.751 3.045 20 10 CGCDHM CCN(C(=O)c1cccc(O)c1[O-])c1cccc(Cl)c1 ZINC001588309314 963269427 /nfs/dbraw/zinc/26/94/27/963269427.db2.gz YJNZPQAWAFUYGT-UHFFFAOYSA-N -1 3 291.734 3.418 20 10 CGCDHM CCCC[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])[C@H](C)CC ZINC001595747637 982415127 /nfs/dbraw/zinc/41/51/27/982415127.db2.gz HFYTYTUTBDKQAR-CJNGLKHVSA-N -1 3 293.407 3.494 20 10 CGCDHM CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])[C@H](C)CC ZINC001595747637 982415132 /nfs/dbraw/zinc/41/51/32/982415132.db2.gz HFYTYTUTBDKQAR-CJNGLKHVSA-N -1 3 293.407 3.494 20 10 CGCDHM C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219801 994304442 /nfs/dbraw/zinc/30/44/42/994304442.db2.gz OUMUTPUJZHTFLK-PWSUYJOCSA-N -1 3 277.364 3.320 20 10 CGCDHM C[C@@H]([NH2+]CCC(C)(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593261203 994548581 /nfs/dbraw/zinc/54/85/81/994548581.db2.gz KXVXOHUQLXZIPK-SNVBAGLBSA-N -1 3 265.353 3.177 20 10 CGCDHM COc1nc(C)cc(C)c1CN(C)Cc1ccccc1[O-] ZINC000287828689 371710186 /nfs/dbraw/zinc/71/01/86/371710186.db2.gz PZLQQHGMKWCDOJ-UHFFFAOYSA-N -1 3 286.375 3.045 20 10 CGCDHM CN(Cc1c([O-])cccc1Cl)[C@H](CO)c1ccccc1 ZINC000295097447 372692759 /nfs/dbraw/zinc/69/27/59/372692759.db2.gz SGKQKBDVALZXOM-OAHLLOKOSA-N -1 3 291.778 3.211 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCO[C@H](c2ccccc2)C1 ZINC000272310281 378610441 /nfs/dbraw/zinc/61/04/41/378610441.db2.gz RIVDUKIUVTVLAQ-KRWDZBQOSA-N -1 3 287.334 3.105 20 10 CGCDHM CN(C)c1cccc(CN(C)Cc2cccc(F)c2[O-])c1 ZINC000272363566 378620202 /nfs/dbraw/zinc/62/02/02/378620202.db2.gz FSFJNGUXHGFNPY-UHFFFAOYSA-N -1 3 288.366 3.229 20 10 CGCDHM CC(C)c1nnc([C@H](C)N[C@@H](C)c2ccc(F)cc2[O-])[nH]1 ZINC000273451643 378748489 /nfs/dbraw/zinc/74/84/89/378748489.db2.gz GCHFILSEWQVDQD-UWVGGRQHSA-N -1 3 292.358 3.185 20 10 CGCDHM CCCCN(Cc1cocn1)Cc1ccccc1[O-] ZINC000282966725 380018915 /nfs/dbraw/zinc/01/89/15/380018915.db2.gz IIXWLMJVGIMIIE-UHFFFAOYSA-N -1 3 260.337 3.183 20 10 CGCDHM CC(C)C[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000732281434 572457769 /nfs/dbraw/zinc/45/77/69/572457769.db2.gz HUOPZSBERVYHKR-JTQLQIEISA-N -1 3 253.367 3.104 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCC(C(F)(F)F)CC1 ZINC000160245200 392581798 /nfs/dbraw/zinc/58/17/98/392581798.db2.gz VFSZPTYJAGASSR-UHFFFAOYSA-N -1 3 277.261 3.306 20 10 CGCDHM Cc1ccc(C(=O)N(Cc2ccccc2)C2CC2)c([O-])c1O ZINC000177668485 392665134 /nfs/dbraw/zinc/66/51/34/392665134.db2.gz HUJGWCADVPBZNC-UHFFFAOYSA-N -1 3 297.354 3.211 20 10 CGCDHM Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)c([O-])c1O ZINC000179416939 392699821 /nfs/dbraw/zinc/69/98/21/392699821.db2.gz IXVDYMAXWAAJED-ZWNOBZJWSA-N -1 3 277.364 3.057 20 10 CGCDHM C[C@H](NCc1cc(Cl)ccc1[O-])c1ccccn1 ZINC000020123509 171005091 /nfs/dbraw/zinc/00/50/91/171005091.db2.gz YVZBXGAAYCGBRF-JTQLQIEISA-N -1 3 262.740 3.291 20 10 CGCDHM COC(=O)[C@@H](c1ccccc1C)N(C)Cc1ccccc1[O-] ZINC000163149088 261307627 /nfs/dbraw/zinc/30/76/27/261307627.db2.gz UCILDBQPCWKUMZ-QGZVFWFLSA-N -1 3 299.370 3.047 20 10 CGCDHM C[C@H]1Oc2ccccc2[C@@H]1NCc1cccc(F)c1[O-] ZINC000368141841 267148405 /nfs/dbraw/zinc/14/84/05/267148405.db2.gz HAOAXZBIOIWCFP-MEBBXXQBSA-N -1 3 273.307 3.143 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCC3(CC3)CC2)c1[O-] ZINC000376800497 268019378 /nfs/dbraw/zinc/01/93/78/268019378.db2.gz ZUBFUNCIFXCWAV-UHFFFAOYSA-N -1 3 277.339 3.110 20 10 CGCDHM CCc1nnc(CN[C@H](CC)c2ccccc2[O-])s1 ZINC000273116848 327852684 /nfs/dbraw/zinc/85/26/84/327852684.db2.gz HAGIGGOZTGYADO-LLVKDONJSA-N -1 3 277.393 3.047 20 10 CGCDHM COCCN(Cc1ccccc1)Cc1cccc(F)c1[O-] ZINC000272286198 328199735 /nfs/dbraw/zinc/19/97/35/328199735.db2.gz NMTYRFTUNLPDLB-UHFFFAOYSA-N -1 3 289.350 3.180 20 10 CGCDHM CC(C)COC[C@@H](NCc1ccccc1[O-])c1ccco1 ZINC000236622724 519755510 /nfs/dbraw/zinc/75/55/10/519755510.db2.gz WPUOUGLEPFUTGE-OAHLLOKOSA-N -1 3 289.375 3.489 20 10 CGCDHM CCCCO[C@@H]1C[C@H](NC(=O)c2cc([O-])cs2)C1(C)C ZINC000748860606 572986957 /nfs/dbraw/zinc/98/69/57/572986957.db2.gz SLBMZXMDEWGIEM-QWHCGFSZSA-N -1 3 297.420 3.167 20 10 CGCDHM O=C(Nc1ccc(OC(F)F)cc1)c1cc([O-])cs1 ZINC000731865337 572430548 /nfs/dbraw/zinc/43/05/48/572430548.db2.gz BJLDPLGXOFOPDR-UHFFFAOYSA-N -1 3 285.271 3.307 20 10 CGCDHM COc1ccc([C@H](C)N(C)C(=O)c2cc([O-])cs2)cc1 ZINC000732267047 572455170 /nfs/dbraw/zinc/45/51/70/572455170.db2.gz UGKKCHTVPWQKLG-JTQLQIEISA-N -1 3 291.372 3.296 20 10 CGCDHM Cc1ccccc1[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000732283523 572458356 /nfs/dbraw/zinc/45/83/56/572458356.db2.gz LYMVCXDYNOWDOG-LBPRGKRZSA-N -1 3 287.384 3.392 20 10 CGCDHM CC(C)c1ccc(C(=O)NCc2ccccc2O)c([O-])c1 ZINC000748345354 572974491 /nfs/dbraw/zinc/97/44/91/572974491.db2.gz KEILGLBPZJRVAO-UHFFFAOYSA-N -1 3 285.343 3.151 20 10 CGCDHM C[S@@](=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000121834563 618650811 /nfs/dbraw/zinc/65/08/11/618650811.db2.gz AMDFAHADXHGQKT-IBGZPJMESA-N -1 3 295.791 3.395 20 10 CGCDHM Cc1ncc(CN(C)Cc2cc(F)cc(F)c2[O-])s1 ZINC000893966114 619341524 /nfs/dbraw/zinc/34/15/24/619341524.db2.gz HFBKPJNKLHCDPB-UHFFFAOYSA-N -1 3 284.331 3.067 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN(Cc1cccnc1)C1CC1 ZINC000894780157 619634208 /nfs/dbraw/zinc/63/42/08/619634208.db2.gz YEJUQJGVGFWNRH-UHFFFAOYSA-N -1 3 290.313 3.230 20 10 CGCDHM [O-]c1c(CN2CC[C@H]2C(F)F)ccc2ccccc21 ZINC000895432011 619825345 /nfs/dbraw/zinc/82/53/45/619825345.db2.gz SHXKMYWUNKCHHK-ZDUSSCGKSA-N -1 3 263.287 3.385 20 10 CGCDHM CN(Cc1ccncc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000757890980 626812534 /nfs/dbraw/zinc/81/25/34/626812534.db2.gz WZQUFUOGTNOQEN-UHFFFAOYSA-N -1 3 280.730 3.212 20 10 CGCDHM CC(C)N(Cc1c([O-])ccc2ccncc21)CC(F)F ZINC000767767343 627435525 /nfs/dbraw/zinc/43/55/25/627435525.db2.gz JIHYJPOMARMIBS-UHFFFAOYSA-N -1 3 280.318 3.416 20 10 CGCDHM CN(Cc1ccc[nH]1)Cc1cccc(Br)c1[O-] ZINC000769541593 627564716 /nfs/dbraw/zinc/56/47/16/627564716.db2.gz DOORZBQEIBHRSB-UHFFFAOYSA-N -1 3 295.180 3.115 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1ncccc1F ZINC000776263377 628185973 /nfs/dbraw/zinc/18/59/73/628185973.db2.gz BDERYWMAPDAXBQ-UHFFFAOYSA-N -1 3 252.676 3.192 20 10 CGCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@@H]1c1ccccc1 ZINC000790572398 629218854 /nfs/dbraw/zinc/21/88/54/629218854.db2.gz JIWQNLBVAMNVPS-MRXNPFEDSA-N -1 3 297.354 3.321 20 10 CGCDHM CSc1cccc(NC(=O)c2cccc(O)c2[O-])c1C ZINC000790915200 629240995 /nfs/dbraw/zinc/24/09/95/629240995.db2.gz KDHPQNZXAFOERS-UHFFFAOYSA-N -1 3 289.356 3.380 20 10 CGCDHM CC[C@@H](Nc1ccc(OC)cn1)c1ccc(F)cc1[O-] ZINC000796892731 629854596 /nfs/dbraw/zinc/85/45/96/629854596.db2.gz ZDYLDNROQCMNQO-CYBMUJFWSA-N -1 3 276.311 3.498 20 10 CGCDHM CN(Cc1cc(F)ccc1[O-])Cc1c(F)cccc1F ZINC000816651972 632038708 /nfs/dbraw/zinc/03/87/08/632038708.db2.gz VKRFGAKWILNGOL-UHFFFAOYSA-N -1 3 281.277 3.442 20 10 CGCDHM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cccc(O)c1[O-] ZINC000816789455 632051276 /nfs/dbraw/zinc/05/12/76/632051276.db2.gz OXNZYXYQASUICQ-SNVBAGLBSA-N -1 3 299.317 3.043 20 10 CGCDHM CS[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000824683768 633273546 /nfs/dbraw/zinc/27/35/46/633273546.db2.gz UYQJILIPSJYXEE-JTQLQIEISA-N -1 3 275.776 3.122 20 10 CGCDHM Cc1cc([O-])c(CN2CCOCC23CCC3)cc1Cl ZINC000824828458 633297577 /nfs/dbraw/zinc/29/75/77/633297577.db2.gz BRUJVLCOAVQWMT-UHFFFAOYSA-N -1 3 281.783 3.109 20 10 CGCDHM CCC[C@](C)(NCc1cc(Cl)c(C)cc1[O-])C(=O)OC ZINC000825037428 633319860 /nfs/dbraw/zinc/31/98/60/633319860.db2.gz BROPMNYZJAJFOH-HNNXBMFYSA-N -1 3 299.798 3.175 20 10 CGCDHM CCc1nnc(CNCc2cc(Cl)c(C)cc2[O-])s1 ZINC000825955987 633392191 /nfs/dbraw/zinc/39/21/91/633392191.db2.gz VUJIMOZZXUKKKJ-UHFFFAOYSA-N -1 3 297.811 3.058 20 10 CGCDHM COc1ccc2c(c1)CCN(Cc1cccc(F)c1[O-])C2 ZINC000827295998 633480013 /nfs/dbraw/zinc/48/00/13/633480013.db2.gz AILIGLQXNXGSKS-UHFFFAOYSA-N -1 3 287.334 3.098 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H]2C[C@H]2C1 ZINC000827506243 633495511 /nfs/dbraw/zinc/49/55/11/633495511.db2.gz FKGIWYLDKGIQRW-IUCAKERBSA-N -1 3 255.720 3.027 20 10 CGCDHM CCc1nc(CN[C@@H](CC)c2ccc(F)cc2[O-])co1 ZINC000834900137 634276974 /nfs/dbraw/zinc/27/69/74/634276974.db2.gz SYTGPIOWYGXMSV-ZDUSSCGKSA-N -1 3 278.327 3.323 20 10 CGCDHM CCON(CC1CCCCC1)C(=O)c1cccc(O)c1[O-] ZINC000837200821 634870251 /nfs/dbraw/zinc/87/02/51/634870251.db2.gz SYGOZWJMYRWTDS-UHFFFAOYSA-N -1 3 293.363 3.072 20 10 CGCDHM [O-]c1c(CN2CCC(OCC3CC3)CC2)ccc(F)c1F ZINC000876772441 634896968 /nfs/dbraw/zinc/89/69/68/634896968.db2.gz MQXXPGZMNOAESM-UHFFFAOYSA-N -1 3 297.345 3.061 20 10 CGCDHM [O-]c1c(CN2CCC[C@@H](OCC3CC3)C2)ccc(F)c1F ZINC000877425519 635038380 /nfs/dbraw/zinc/03/83/80/635038380.db2.gz CLWWPCSLFWYVPV-CYBMUJFWSA-N -1 3 297.345 3.061 20 10 CGCDHM [O-]c1c(CN2CC(c3ccccc3)C2)ccc(F)c1F ZINC000877666156 635139024 /nfs/dbraw/zinc/13/90/24/635139024.db2.gz YFWFRYRHWMZJHR-UHFFFAOYSA-N -1 3 275.298 3.270 20 10 CGCDHM C[C@H](NCc1cc(C2CC2)no1)c1cc(F)cc(F)c1[O-] ZINC000886684228 637650052 /nfs/dbraw/zinc/65/00/52/637650052.db2.gz HUVQSRGDIGEELQ-QMMMGPOBSA-N -1 3 294.301 3.387 20 10 CGCDHM CC(F)(F)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000187374706 638880966 /nfs/dbraw/zinc/88/09/66/638880966.db2.gz VPBSITHVFMDSDD-UHFFFAOYSA-N -1 3 293.269 3.462 20 10 CGCDHM Cc1c(C(=O)NCc2c([O-])cccc2F)ccn1C(C)C ZINC000928706204 638889332 /nfs/dbraw/zinc/88/93/32/638889332.db2.gz OUUPCMBLGVGKLO-UHFFFAOYSA-N -1 3 290.338 3.152 20 10 CGCDHM CCc1nc(CNCc2c([O-])cccc2Cl)cs1 ZINC000113339749 640976553 /nfs/dbraw/zinc/97/65/53/640976553.db2.gz DRHCSBALJJJUCZ-UHFFFAOYSA-N -1 3 282.796 3.354 20 10 CGCDHM C[C@@H]1CCc2ccccc2[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000114428823 640997232 /nfs/dbraw/zinc/99/72/32/640997232.db2.gz XTNGMKYCGHEZCK-BZNIZROVSA-N -1 3 297.354 3.151 20 10 CGCDHM CS[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000394998328 799501562 /nfs/dbraw/zinc/50/15/62/799501562.db2.gz ILCRLPBFIYMVSK-GFCCVEGCSA-N -1 3 299.823 3.186 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN[C@@H]1CCCC1(F)F ZINC000398147051 799526772 /nfs/dbraw/zinc/52/67/72/799526772.db2.gz OGFXGGFYKOBKLA-LLVKDONJSA-N -1 3 261.699 3.323 20 10 CGCDHM C[C@@H](N[C@@H]1CCCC1(F)F)c1cc(F)ccc1[O-] ZINC000398212084 799528054 /nfs/dbraw/zinc/52/80/54/799528054.db2.gz SRMAEKWIDGTGJD-PRHODGIISA-N -1 3 259.271 3.370 20 10 CGCDHM CC[C@H]1COC(C)(C)CN1Cc1cccc(Cl)c1[O-] ZINC000403811913 799572071 /nfs/dbraw/zinc/57/20/71/799572071.db2.gz JWRYRMKVJCOPBO-LBPRGKRZSA-N -1 3 283.799 3.435 20 10 CGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H](CF)C1 ZINC000711501449 800064717 /nfs/dbraw/zinc/06/47/17/800064717.db2.gz FRLGYDPTTCHJFR-QMMMGPOBSA-N -1 3 278.154 3.490 20 10 CGCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC001137753145 803768093 /nfs/dbraw/zinc/76/80/93/803768093.db2.gz DWRKUVQTNOGNGG-CYBMUJFWSA-N -1 3 289.306 3.118 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCc2nc(Cl)ccc2C1 ZINC001140055063 804364095 /nfs/dbraw/zinc/36/40/95/804364095.db2.gz GKXADBTUIYCUDH-UHFFFAOYSA-N -1 3 292.741 3.138 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CC2(C1)CCCC2 ZINC001142508538 804727889 /nfs/dbraw/zinc/72/78/89/804727889.db2.gz CJCOZKJHGCTIPE-UHFFFAOYSA-N -1 3 253.292 3.046 20 10 CGCDHM CCN(Cc1cccnc1)Cc1cc(F)c(F)cc1[O-] ZINC001142524834 804732216 /nfs/dbraw/zinc/73/22/16/804732216.db2.gz MNEMJJWYCHZMAO-UHFFFAOYSA-N -1 3 278.302 3.088 20 10 CGCDHM [O-]c1c(O)cccc1-c1nnc(CC2CCCCC2)o1 ZINC001257004157 807025141 /nfs/dbraw/zinc/02/51/41/807025141.db2.gz FSAKZNKFMPYGMT-UHFFFAOYSA-N -1 3 274.320 3.271 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(F)cc1F ZINC001196407926 811341840 /nfs/dbraw/zinc/34/18/40/811341840.db2.gz XGQJKDUYOYOMHO-UHFFFAOYSA-N -1 3 296.248 3.131 20 10 CGCDHM O=C1CCN(Cc2cc(Cl)ccc2[O-])[C@H]2CCCC[C@@H]12 ZINC001203648144 812416091 /nfs/dbraw/zinc/41/60/91/812416091.db2.gz FCLWVJSRWISUNA-KGLIPLIRSA-N -1 3 293.794 3.379 20 10 CGCDHM CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453963 818102866 /nfs/dbraw/zinc/10/28/66/818102866.db2.gz MPPDMACLRAGTMO-UHFFFAOYSA-N -1 3 299.370 3.421 20 10 CGCDHM CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453963 818102869 /nfs/dbraw/zinc/10/28/69/818102869.db2.gz MPPDMACLRAGTMO-UHFFFAOYSA-N -1 3 299.370 3.421 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC001231563248 818124938 /nfs/dbraw/zinc/12/49/38/818124938.db2.gz GSFUVLZAUGYLNR-MRXNPFEDSA-N -1 3 297.354 3.428 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC001231563248 818124942 /nfs/dbraw/zinc/12/49/42/818124942.db2.gz GSFUVLZAUGYLNR-MRXNPFEDSA-N -1 3 297.354 3.428 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](F)C(F)(F)CC1 ZINC001233331881 818582237 /nfs/dbraw/zinc/58/22/37/818582237.db2.gz ONWIQIAWAGZNCZ-NSHDSACASA-N -1 3 295.251 3.240 20 10 CGCDHM C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])C[C@@H]1F ZINC001233415589 818614123 /nfs/dbraw/zinc/61/41/23/818614123.db2.gz BQDHAMVMACHKEU-KCJUWKMLSA-N -1 3 277.261 3.201 20 10 CGCDHM [O-]c1ccc(F)c(Cl)c1CN1CCC(F)CC1 ZINC001237119685 819671959 /nfs/dbraw/zinc/67/19/59/819671959.db2.gz DSFKDHDNBQJCLC-UHFFFAOYSA-N -1 3 261.699 3.119 20 10 CGCDHM CCOC(=O)[C@@H](NCc1ccc(Cl)cc1[O-])C(C)(C)C ZINC001462056476 937615110 /nfs/dbraw/zinc/61/51/10/937615110.db2.gz ZPDRPASVDVMMBB-CYBMUJFWSA-N -1 3 299.798 3.113 20 10 CGCDHM Cc1coc(CNCc2cccc(Cl)c2[O-])c1 ZINC001308547652 933129582 /nfs/dbraw/zinc/12/95/82/933129582.db2.gz CCGLJVZNIRDXFP-UHFFFAOYSA-N -1 3 251.713 3.237 20 10 CGCDHM CCc1ccccc1NC(=O)NCc1c([O-])cccc1F ZINC001310052566 933249864 /nfs/dbraw/zinc/24/98/64/933249864.db2.gz FPFVFRXHUUPWJJ-UHFFFAOYSA-N -1 3 288.322 3.415 20 10 CGCDHM C[C@@H]1CCC[C@H](NC(=O)NCc2c([O-])cccc2F)[C@H]1C ZINC001311418755 933298281 /nfs/dbraw/zinc/29/82/81/933298281.db2.gz RJGYDQIJBKWNOV-SUNKGSAMSA-N -1 3 294.370 3.155 20 10 CGCDHM CC[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC001468510642 937729204 /nfs/dbraw/zinc/72/92/04/937729204.db2.gz VZXIDGWYRIRJBT-NWDGAFQWSA-N -1 3 277.364 3.044 20 10 CGCDHM Cc1nn(C)c(C)c1N[C@H](C)c1c([O-])cccc1F ZINC001333466616 935538416 /nfs/dbraw/zinc/53/84/16/935538416.db2.gz MCGBSQWLGJOOGZ-MRVPVSSYSA-N -1 3 263.316 3.055 20 10 CGCDHM CC[C@H]1CN(Cc2c([O-])cc(C)cc2Cl)C[C@@H](C)O1 ZINC001474382458 937856318 /nfs/dbraw/zinc/85/63/18/937856318.db2.gz KFLHATMBQKDNJN-NEPJUHHUSA-N -1 3 283.799 3.353 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC001474546797 937866364 /nfs/dbraw/zinc/86/63/64/937866364.db2.gz PNECJYCGTHWHMC-HZPDHXFCSA-N -1 3 293.794 3.189 20 10 CGCDHM Cc1ccc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])c([O-])c1 ZINC001594361561 958454275 /nfs/dbraw/zinc/45/42/75/958454275.db2.gz WMCCXFKKECYYGI-ZDUSSCGKSA-N -1 3 279.380 3.070 20 10 CGCDHM C[C@@H]([NH2+]C1(C2CCC2)CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593208459 994226118 /nfs/dbraw/zinc/22/61/18/994226118.db2.gz CHRCWSVALGYJRG-LLVKDONJSA-N -1 3 289.375 3.464 20 10 CGCDHM C[C@@H]([NH2+]CCCc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593268541 994595607 /nfs/dbraw/zinc/59/56/07/994595607.db2.gz WGABWLLDGXYHLL-CYBMUJFWSA-N -1 3 299.370 3.374 20 10 CGCDHM C[C@H](NCCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000280913418 299295690 /nfs/dbraw/zinc/29/56/90/299295690.db2.gz DDRQAAJZLKHLOL-LURJTMIESA-N -1 3 252.116 3.319 20 10 CGCDHM CCN(Cc1ccncc1)Cc1cc(Cl)ccc1[O-] ZINC000004676948 368555895 /nfs/dbraw/zinc/55/58/95/368555895.db2.gz XPPKLDWATMUHRS-UHFFFAOYSA-N -1 3 276.767 3.463 20 10 CGCDHM C[C@H](N[C@H](CCO)c1ccco1)c1ccc(F)c(F)c1[O-] ZINC000187923403 299406781 /nfs/dbraw/zinc/40/67/81/299406781.db2.gz CVDXBAFYZRLIPA-JOYOIKCWSA-N -1 3 297.301 3.038 20 10 CGCDHM CC[C@@H](NCc1cc(C)nn1C)c1cccc(Cl)c1[O-] ZINC000287094500 371603363 /nfs/dbraw/zinc/60/33/63/371603363.db2.gz PPBRQUUUBMXCPA-CQSZACIVSA-N -1 3 293.798 3.328 20 10 CGCDHM C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1ccccc1[O-] ZINC000287432885 371655935 /nfs/dbraw/zinc/65/59/35/371655935.db2.gz SZDZLTZOFNMGMC-PELKAZGASA-N -1 3 259.271 3.384 20 10 CGCDHM CCc1noc(C)c1CN[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000293563057 372411700 /nfs/dbraw/zinc/41/17/00/372411700.db2.gz ARBIPIFSPRAYJL-MRVPVSSYSA-N -1 3 296.317 3.380 20 10 CGCDHM CC(C)c1nnc(CN[C@H](C)c2cc(Cl)ccc2[O-])[nH]1 ZINC000296440475 373135326 /nfs/dbraw/zinc/13/53/26/373135326.db2.gz MGBDPCUKEIMOIQ-SECBINFHSA-N -1 3 294.786 3.138 20 10 CGCDHM C[C@@H]1CCN(C(=O)/C=C\c2cccnc2)c2c([O-])cccc21 ZINC000492612481 375447301 /nfs/dbraw/zinc/44/73/01/375447301.db2.gz AQBDLKSJEYOYCV-MEJMFZKBSA-N -1 3 294.354 3.341 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCS[C@H](C)CC2)c1[O-] ZINC000192172095 375705957 /nfs/dbraw/zinc/70/59/57/375705957.db2.gz LPLGBOXKYLYOLP-SNVBAGLBSA-N -1 3 297.395 3.061 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ccc2ccccc2c1[O-])c1ncn(C)n1 ZINC000275636712 378956744 /nfs/dbraw/zinc/95/67/44/378956744.db2.gz BZTFVZHGXJAQDS-NWDGAFQWSA-N -1 3 296.374 3.086 20 10 CGCDHM [O-]c1ccc(F)cc1CN[C@@H]1COc2c1cccc2Cl ZINC000376168344 379524554 /nfs/dbraw/zinc/52/45/54/379524554.db2.gz WHHIVPITNNDBLA-CYBMUJFWSA-N -1 3 293.725 3.408 20 10 CGCDHM C[C@H](NCc1nccs1)c1cc(Cl)ccc1[O-] ZINC000185087593 262041081 /nfs/dbraw/zinc/04/10/81/262041081.db2.gz SIBJGLTUEJLHPR-QMMMGPOBSA-N -1 3 268.769 3.353 20 10 CGCDHM CCC1CCC(N(C)C(=O)c2cccc(O)c2[O-])CC1 ZINC000126292435 260349295 /nfs/dbraw/zinc/34/92/95/260349295.db2.gz CFVHWIYXUVGWDU-UHFFFAOYSA-N -1 3 277.364 3.139 20 10 CGCDHM CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000179482787 261789907 /nfs/dbraw/zinc/78/99/07/261789907.db2.gz WVFAZRJKNNHKBS-ZYHUDNBSSA-N -1 3 291.391 3.445 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCC[C@@H]1c1nccs1 ZINC000378492627 329052630 /nfs/dbraw/zinc/05/26/30/329052630.db2.gz HIELIZQSIDYXRH-GFCCVEGCSA-N -1 3 278.352 3.325 20 10 CGCDHM COc1ccccc1[C@@H](C)NCc1cccc(F)c1[O-] ZINC000164933963 331305482 /nfs/dbraw/zinc/30/54/82/331305482.db2.gz FRDZBSFSLKQREI-LLVKDONJSA-N -1 3 275.323 3.391 20 10 CGCDHM COCCOc1ccc(NCc2cc(F)ccc2[O-])cc1 ZINC000226580739 333265331 /nfs/dbraw/zinc/26/53/31/333265331.db2.gz VWYULSFHXVPGDZ-UHFFFAOYSA-N -1 3 291.322 3.169 20 10 CGCDHM CCCN(Cc1nnc(C(C)C)o1)Cc1ccccc1[O-] ZINC000076293254 521696210 /nfs/dbraw/zinc/69/62/10/521696210.db2.gz BVVKRVRMBSATSY-UHFFFAOYSA-N -1 3 289.379 3.311 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCC[C@@H]1c1ccncc1 ZINC000289730022 526328566 /nfs/dbraw/zinc/32/85/66/526328566.db2.gz HUZBZBYPIARZNV-OAHLLOKOSA-N -1 3 272.323 3.263 20 10 CGCDHM Cc1ncc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000276979759 527275612 /nfs/dbraw/zinc/27/56/12/527275612.db2.gz VRCXUYQZUMGIGI-ZETCQYMHSA-N -1 3 284.331 3.286 20 10 CGCDHM C[C@H](CCNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731872311 572431226 /nfs/dbraw/zinc/43/12/26/572431226.db2.gz DDOFDAFBPZNGAZ-LLVKDONJSA-N -1 3 275.373 3.377 20 10 CGCDHM CCc1nc(NC(=O)c2cc([O-])cs2)sc1C ZINC000731872046 572431449 /nfs/dbraw/zinc/43/14/49/572431449.db2.gz UZNCQEQUZVAUCF-UHFFFAOYSA-N -1 3 268.363 3.033 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]1Cc1ccccc1 ZINC000732265655 572454896 /nfs/dbraw/zinc/45/48/96/572454896.db2.gz FFLMDJZXBWBPES-CYBMUJFWSA-N -1 3 287.384 3.301 20 10 CGCDHM C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc([O-])cs1 ZINC000732267768 572456093 /nfs/dbraw/zinc/45/60/93/572456093.db2.gz VHELCHXJFWGSRU-MWLCHTKSSA-N -1 3 253.367 3.104 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000732275741 572456726 /nfs/dbraw/zinc/45/67/26/572456726.db2.gz ALWLXTOTXACFHV-ZDUSSCGKSA-N -1 3 289.356 3.137 20 10 CGCDHM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2cc([O-])cs2)o1 ZINC000732273855 572457201 /nfs/dbraw/zinc/45/72/01/572457201.db2.gz DRXWOIKWODFZDG-GZMMTYOYSA-N -1 3 277.345 3.100 20 10 CGCDHM CCCc1nc(COC(=O)c2cc([O-])cs2)cs1 ZINC000732353815 572461489 /nfs/dbraw/zinc/46/14/89/572461489.db2.gz WOSAEYOIAMWFLI-UHFFFAOYSA-N -1 3 283.374 3.220 20 10 CGCDHM C[C@@H]1CCC[C@H](C)N(C(=O)c2cc([O-])cs2)C1 ZINC000743603570 572673520 /nfs/dbraw/zinc/67/35/20/572673520.db2.gz DMXWJKJIYXSPMW-ZJUUUORDSA-N -1 3 253.367 3.104 20 10 CGCDHM CCC[C@H](C(=O)OCC)N(CCC)Cc1ccccc1[O-] ZINC000743870689 572694315 /nfs/dbraw/zinc/69/43/15/572694315.db2.gz ZUDZOBBHNHQWCB-OAHLLOKOSA-N -1 3 293.407 3.336 20 10 CGCDHM C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cc([O-])cs1 ZINC000736680086 572804748 /nfs/dbraw/zinc/80/47/48/572804748.db2.gz YGUCYWANESHXKA-XPTSAGLGSA-N -1 3 273.357 3.117 20 10 CGCDHM Cc1nc2cc(NC(=O)c3ccc(C)c(O)c3[O-])ccc2o1 ZINC000177665687 618834816 /nfs/dbraw/zinc/83/48/16/618834816.db2.gz FNBVADCSOLOSQA-UHFFFAOYSA-N -1 3 298.298 3.108 20 10 CGCDHM CCOc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000177674039 618835124 /nfs/dbraw/zinc/83/51/24/618835124.db2.gz CCMVZQCBYRYFRG-UHFFFAOYSA-N -1 3 287.315 3.057 20 10 CGCDHM CC[C@@H](N[C@@H](C)c1csnn1)c1ccc(F)cc1[O-] ZINC000840886428 618888167 /nfs/dbraw/zinc/88/81/67/618888167.db2.gz VYHXABKGDKFLNH-GZMMTYOYSA-N -1 3 281.356 3.185 20 10 CGCDHM Cc1ccc(C[C@@H](C)N(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000193081750 619125423 /nfs/dbraw/zinc/12/54/23/619125423.db2.gz AYXLLROTLQRWJP-CYBMUJFWSA-N -1 3 299.370 3.109 20 10 CGCDHM CC1=CC[C@@](C)(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928710047 620208265 /nfs/dbraw/zinc/20/82/65/620208265.db2.gz GNOJLAJRQIKFBP-MRXNPFEDSA-N -1 3 277.339 3.284 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCC2(CC2)C1 ZINC000897763140 620425108 /nfs/dbraw/zinc/42/51/08/620425108.db2.gz ULUYFOCVZUKZLE-LLVKDONJSA-N -1 3 292.354 3.053 20 10 CGCDHM CCOc1cccc(CNCc2cccc(Cl)c2[O-])n1 ZINC000898218455 620489352 /nfs/dbraw/zinc/48/93/52/620489352.db2.gz HMHQKDCQQTZJMC-UHFFFAOYSA-N -1 3 292.766 3.129 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCCNc2ccccc21 ZINC000841088900 622419119 /nfs/dbraw/zinc/41/91/19/622419119.db2.gz FMXZRGIYKMAGDJ-UHFFFAOYSA-N -1 3 272.323 3.354 20 10 CGCDHM CCCC[C@@H](CC)CNC(=O)c1cccc(O)c1[O-] ZINC000165715469 622867492 /nfs/dbraw/zinc/86/74/92/622867492.db2.gz VJLZFILCQJRZRV-LLVKDONJSA-N -1 3 265.353 3.044 20 10 CGCDHM CCc1cc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])on1 ZINC000756603389 626719911 /nfs/dbraw/zinc/71/99/11/626719911.db2.gz BLIBXTOWNFIOLT-QMMMGPOBSA-N -1 3 282.290 3.072 20 10 CGCDHM C[C@H]1CCN(Cc2cc(Cl)ccc2[O-])C[C@H]1F ZINC000779151495 628391245 /nfs/dbraw/zinc/39/12/45/628391245.db2.gz YVBSLWLOWFANCJ-JOYOIKCWSA-N -1 3 257.736 3.226 20 10 CGCDHM CCCC[C@@H](NC(=O)c1cccc(O)c1[O-])C1CCC1 ZINC000790876087 629238729 /nfs/dbraw/zinc/23/87/29/629238729.db2.gz HGWKWVXDEDBBET-CYBMUJFWSA-N -1 3 277.364 3.187 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2[C@@H](C)C[C@@H]2C)c1[O-] ZINC000791567640 629289822 /nfs/dbraw/zinc/28/98/22/629289822.db2.gz TWKAMDWJJNBJAV-IUCAKERBSA-N -1 3 267.756 3.231 20 10 CGCDHM CN(Cc1cccn1C)Cc1c([O-])ccc(Cl)c1F ZINC000792166571 629342194 /nfs/dbraw/zinc/34/21/94/629342194.db2.gz TYOLQEFRGWHPTL-UHFFFAOYSA-N -1 3 282.746 3.155 20 10 CGCDHM C[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1ccns1 ZINC000862539712 629396498 /nfs/dbraw/zinc/39/64/98/629396498.db2.gz QNRFZCXJABINRF-SSDOTTSWSA-N -1 3 286.759 3.492 20 10 CGCDHM C[C@@H]1C[C@H]1c1nnc(NCc2c([O-])cccc2Cl)o1 ZINC000865295725 630057716 /nfs/dbraw/zinc/05/77/16/630057716.db2.gz KOPFAEZFMVXRSG-HTQZYQBOSA-N -1 3 279.727 3.164 20 10 CGCDHM CO[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)[C@@H](C)C1 ZINC000799736221 630228159 /nfs/dbraw/zinc/22/81/59/630228159.db2.gz IMHZNPZMNATQNN-VHSXEESVSA-N -1 3 287.762 3.184 20 10 CGCDHM CC[C@H](NCc1cc[nH]n1)c1cccc(Cl)c1[O-] ZINC000806137715 630546914 /nfs/dbraw/zinc/54/69/14/630546914.db2.gz NAWSCTMKWHRKCK-LBPRGKRZSA-N -1 3 265.744 3.010 20 10 CGCDHM O=C(NCc1ccc2sccc2c1)c1cccc(O)c1[O-] ZINC000811589980 631089258 /nfs/dbraw/zinc/08/92/58/631089258.db2.gz QZZCQUMLKPRDJY-UHFFFAOYSA-N -1 3 299.351 3.243 20 10 CGCDHM C[C@@H](NCc1cocn1)c1cccc(C(F)(F)F)c1[O-] ZINC000815605945 631804792 /nfs/dbraw/zinc/80/47/92/631804792.db2.gz JQFVNPMQEXWPJC-MRVPVSSYSA-N -1 3 286.253 3.250 20 10 CGCDHM Cc1noc(C)c1CN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816491788 631992108 /nfs/dbraw/zinc/99/21/08/631992108.db2.gz YRFGOZMVVQVBBF-UHFFFAOYSA-N -1 3 298.745 3.422 20 10 CGCDHM Cc1cc([O-])c(CN2CCC[C@@H]2c2ncon2)cc1Cl ZINC000824656398 633269421 /nfs/dbraw/zinc/26/94/21/633269421.db2.gz IJLGGVVTRIPMFS-GFCCVEGCSA-N -1 3 293.754 3.074 20 10 CGCDHM CCc1nc(CNCc2cc(Cl)c(F)cc2[O-])co1 ZINC000825061370 633324555 /nfs/dbraw/zinc/32/45/55/633324555.db2.gz FMLVRZIBXKEGCN-UHFFFAOYSA-N -1 3 284.718 3.025 20 10 CGCDHM CCCc1ncc(CNCc2cccc(Cl)c2[O-])o1 ZINC000825086051 633326989 /nfs/dbraw/zinc/32/69/89/633326989.db2.gz PGVNZUXQIUCIGT-UHFFFAOYSA-N -1 3 280.755 3.276 20 10 CGCDHM Cc1cc([O-])c(CN2CCC(F)(F)C2)cc1Cl ZINC000825405493 633353128 /nfs/dbraw/zinc/35/31/28/633353128.db2.gz HKAFXDOVCDCECX-UHFFFAOYSA-N -1 3 261.699 3.195 20 10 CGCDHM Cc1ccc2c(c1)C(=O)N[C@H](c1cc(Cl)ccc1[O-])N2 ZINC000877864991 635246462 /nfs/dbraw/zinc/24/64/62/635246462.db2.gz VLDHYGWDFHXBCD-CQSZACIVSA-N -1 3 288.734 3.208 20 10 CGCDHM C[C@H]1CN(Cc2cccc(Cl)c2[O-])CC2(CCC2)O1 ZINC000843433438 635674073 /nfs/dbraw/zinc/67/40/73/635674073.db2.gz ZXOKLWUSOIECCS-NSHDSACASA-N -1 3 281.783 3.189 20 10 CGCDHM COC[C@H](NCc1cc(F)cc(F)c1[O-])c1ccc(C)o1 ZINC000883027214 636511805 /nfs/dbraw/zinc/51/18/05/636511805.db2.gz SYBWMLPEROOVQT-ZDUSSCGKSA-N -1 3 297.301 3.049 20 10 CGCDHM CC[C@@H](C)[C@@H](C)N(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000188423270 640135889 /nfs/dbraw/zinc/13/58/89/640135889.db2.gz CKIXLHLSWBOIHK-GHMZBOCLSA-N -1 3 277.364 3.137 20 10 CGCDHM C[C@@H](N[C@@H](C)c1cscn1)c1ccc(F)cc1[O-] ZINC000697819371 799850627 /nfs/dbraw/zinc/85/06/27/799850627.db2.gz HWGHINZCABKWEU-BDAKNGLRSA-N -1 3 266.341 3.400 20 10 CGCDHM Cc1cnc([C@H](C)NCc2cc(F)cc(F)c2[O-])s1 ZINC000708548467 799992682 /nfs/dbraw/zinc/99/26/82/799992682.db2.gz FYLVGCIEIWTUPQ-QMMMGPOBSA-N -1 3 284.331 3.286 20 10 CGCDHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])CC1 ZINC001138507896 803953692 /nfs/dbraw/zinc/95/36/92/803953692.db2.gz MSPTWHQLIOCROI-QWHCGFSZSA-N -1 3 291.391 3.433 20 10 CGCDHM CN(CC(=O)c1ccccc1)Cc1ccc(Cl)cc1[O-] ZINC001140465664 804443675 /nfs/dbraw/zinc/44/36/75/804443675.db2.gz QIJISMULXBLOFU-UHFFFAOYSA-N -1 3 289.762 3.360 20 10 CGCDHM C[N@H+](Cc1ccccc1[O-])Cc1c([O-])cc(F)cc1F ZINC001140584034 804468298 /nfs/dbraw/zinc/46/82/98/804468298.db2.gz DDSFGNKTRNEIPQ-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM C[N@@H+](Cc1ccccc1[O-])Cc1c([O-])cc(F)cc1F ZINC001140584034 804468302 /nfs/dbraw/zinc/46/83/02/804468302.db2.gz DDSFGNKTRNEIPQ-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@H]1CCCC[C@H]1C ZINC001143553181 804865326 /nfs/dbraw/zinc/86/53/26/804865326.db2.gz LMNHTSWIIOPAKY-YPMHNXCESA-N -1 3 277.364 3.139 20 10 CGCDHM CN(Cc1cc(Cl)c(C(C)(C)C)cc1[O-])C1COC1 ZINC001248884139 805032913 /nfs/dbraw/zinc/03/29/13/805032913.db2.gz XRKYQCRPWDYEAY-UHFFFAOYSA-N -1 3 283.799 3.174 20 10 CGCDHM CCC1(NC(=O)c2cccc(O)c2[O-])CCC(F)(F)CC1 ZINC001148224364 805169825 /nfs/dbraw/zinc/16/98/25/805169825.db2.gz IQGGTLKHVYUZOR-UHFFFAOYSA-N -1 3 299.317 3.186 20 10 CGCDHM Cc1cc(CN2CC(C)(F)C2)c([O-])cc1Br ZINC001250120751 805427829 /nfs/dbraw/zinc/42/78/29/805427829.db2.gz PAZLDIJHFYDSRW-UHFFFAOYSA-N -1 3 288.160 3.007 20 10 CGCDHM Cc1cc(NC(=O)NCc2c([O-])cccc2F)ccc1F ZINC001199856101 811602958 /nfs/dbraw/zinc/60/29/58/811602958.db2.gz UAMBMOUCWVQTLM-UHFFFAOYSA-N -1 3 292.285 3.301 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CC(Oc2ccccc2)C1 ZINC001203657010 812418386 /nfs/dbraw/zinc/41/83/86/812418386.db2.gz BRZGIEMPMVNYCY-UHFFFAOYSA-N -1 3 289.762 3.309 20 10 CGCDHM Cc1ccc2c(c1)OCCN2Cc1cc(F)c(F)cc1[O-] ZINC001205278092 812927716 /nfs/dbraw/zinc/92/77/16/812927716.db2.gz WCYKLVZGOJAKAB-UHFFFAOYSA-N -1 3 291.297 3.378 20 10 CGCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1cccs1 ZINC001226413573 817350407 /nfs/dbraw/zinc/35/04/07/817350407.db2.gz XGSLNZURRYBKKU-VIFPVBQESA-N -1 3 294.351 3.153 20 10 CGCDHM Cc1cc([O-])c(CN2CCC(=O)C(C)(C)C2)cc1Cl ZINC001231870460 818193382 /nfs/dbraw/zinc/19/33/82/818193382.db2.gz CGKRLTLYIWVQNV-UHFFFAOYSA-N -1 3 281.783 3.155 20 10 CGCDHM Cc1cc([O-])c(CN2Cc3cccnc3C2)cc1Cl ZINC001231869498 818194803 /nfs/dbraw/zinc/19/48/03/818194803.db2.gz TVXUHMNNOHNPGD-UHFFFAOYSA-N -1 3 274.751 3.265 20 10 CGCDHM [O-]c1c(CN2CC(F)(C3CC3)C2)ccc2ccccc21 ZINC001231879981 818198825 /nfs/dbraw/zinc/19/88/25/818198825.db2.gz YYYXBEHNOFCPSS-UHFFFAOYSA-N -1 3 271.335 3.479 20 10 CGCDHM CN(C)c1ccc(CN(C)Cc2cccc([O-])c2F)cc1 ZINC001233054245 818512808 /nfs/dbraw/zinc/51/28/08/818512808.db2.gz HGAUCSNFGZKOAV-UHFFFAOYSA-N -1 3 288.366 3.229 20 10 CGCDHM CN(Cc1ccsc1)Cc1ccc(F)c(F)c1[O-] ZINC001233077108 818519689 /nfs/dbraw/zinc/51/96/89/818519689.db2.gz DTJSTOYJLKHAAP-UHFFFAOYSA-N -1 3 269.316 3.364 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@@H]1c1ccccn1 ZINC001233334754 818585670 /nfs/dbraw/zinc/58/56/70/818585670.db2.gz RZPWQZSMUXTUSN-CQSZACIVSA-N -1 3 290.313 3.403 20 10 CGCDHM Cc1cc(Br)c([O-])c(CN2CC(C)(C)C2)c1 ZINC001236673048 819567648 /nfs/dbraw/zinc/56/76/48/819567648.db2.gz JFFDJNQSINDUSS-UHFFFAOYSA-N -1 3 284.197 3.305 20 10 CGCDHM COC[C@@H]1CCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236793582 819597449 /nfs/dbraw/zinc/59/74/49/819597449.db2.gz LLZGHIPICLBXOC-JTQLQIEISA-N -1 3 290.190 3.310 20 10 CGCDHM C[C@@]1(O)CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237081537 819662817 /nfs/dbraw/zinc/66/28/17/819662817.db2.gz LURILQFZUNNXON-CYBMUJFWSA-N -1 3 290.190 3.046 20 10 CGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001237084844 819663258 /nfs/dbraw/zinc/66/32/58/819663258.db2.gz OPBWSHAXLDSITG-PSVAKVPMSA-N -1 3 290.165 3.346 20 10 CGCDHM [O-]c1cc(Cl)c(F)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001237939302 819887021 /nfs/dbraw/zinc/88/70/21/819887021.db2.gz AQAYLYMRHMOJLA-PELKAZGASA-N -1 3 255.720 3.169 20 10 CGCDHM CC(C)c1cc(NC(=O)c2cccc(O)c2[O-])ccc1O ZINC001455162884 937415095 /nfs/dbraw/zinc/41/50/95/937415095.db2.gz PYYUDFVQOOZTFB-UHFFFAOYSA-N -1 3 287.315 3.179 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1cc(F)ccc1Cl ZINC001456030880 937425013 /nfs/dbraw/zinc/42/50/13/937425013.db2.gz SFTHVYUJDHOSNJ-UHFFFAOYSA-N -1 3 297.688 3.254 20 10 CGCDHM COc1ccc(F)c(CNCc2cc(F)cc(F)c2[O-])c1 ZINC001461667377 937590864 /nfs/dbraw/zinc/59/08/64/937590864.db2.gz WQFMVDGPTYLPET-UHFFFAOYSA-N -1 3 297.276 3.108 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)Nc1cc(F)cc(F)c1 ZINC001309990448 933248682 /nfs/dbraw/zinc/24/86/82/933248682.db2.gz VPPPIQQGISDRID-UHFFFAOYSA-N -1 3 296.248 3.131 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)C12CCC(CC1)CC2 ZINC001337367430 936254219 /nfs/dbraw/zinc/25/42/19/936254219.db2.gz DUDHUXFIKXWARG-UHFFFAOYSA-N -1 3 277.339 3.118 20 10 CGCDHM C[C@H]1CC(NC(=O)NCc2c([O-])cccc2F)C[C@H](C)C1 ZINC001477964878 937900023 /nfs/dbraw/zinc/90/00/23/937900023.db2.gz VAPKGUBFWUENNB-GHMZBOCLSA-N -1 3 294.370 3.155 20 10 CGCDHM C[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C[C@@H](C)C1 ZINC001477964877 937900067 /nfs/dbraw/zinc/90/00/67/937900067.db2.gz VAPKGUBFWUENNB-GDNZZTSVSA-N -1 3 294.370 3.155 20 10 CGCDHM Cc1ccc(CNCc2ccc(F)c(F)c2[O-])c(Cl)n1 ZINC001560987069 938288003 /nfs/dbraw/zinc/28/80/03/938288003.db2.gz PSSPKIJIQWESPE-UHFFFAOYSA-N -1 3 298.720 3.317 20 10 CGCDHM C[C@@H]1CC[C@H](NC(=O)NCc2c([O-])cccc2F)C[C@@H]1C ZINC001564538431 960577852 /nfs/dbraw/zinc/57/78/52/960577852.db2.gz GQBYWHYRWAXQAA-WOPDTQHZSA-N -1 3 294.370 3.155 20 10 CGCDHM CC[C@@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1ccccc1[O-] ZINC000086735496 967574654 /nfs/dbraw/zinc/57/46/54/967574654.db2.gz YMYZVYQAQUNPSH-ORHYLEIMSA-N -1 3 277.364 3.076 20 10 CGCDHM C[C@H](N[C@@H](CCO)c1ccco1)c1ccc(F)c(F)c1[O-] ZINC000187923341 299349160 /nfs/dbraw/zinc/34/91/60/299349160.db2.gz CVDXBAFYZRLIPA-CABZTGNLSA-N -1 3 297.301 3.038 20 10 CGCDHM Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)c([O-])c1O ZINC000293758099 372471717 /nfs/dbraw/zinc/47/17/17/372471717.db2.gz MSFWSJDIIICWFP-OAHLLOKOSA-N -1 3 289.375 3.057 20 10 CGCDHM COC[C@]1(C)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295135143 372693312 /nfs/dbraw/zinc/69/33/12/372693312.db2.gz PBHIHGYFKYHYHK-CQSZACIVSA-N -1 3 287.762 3.043 20 10 CGCDHM CC(C)C[C@@]1(C)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000295817777 372921229 /nfs/dbraw/zinc/92/12/29/372921229.db2.gz PFQUNNZKFWVUNA-MRXNPFEDSA-N -1 3 277.364 3.139 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCO[C@@H](c2cccs2)C1 ZINC000180002687 373952744 /nfs/dbraw/zinc/95/27/44/373952744.db2.gz NMUQLMZNAZGVHG-CQSZACIVSA-N -1 3 293.363 3.166 20 10 CGCDHM Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187699533 375075132 /nfs/dbraw/zinc/07/51/32/375075132.db2.gz NXUGYOUMSTWUKF-IUCAKERBSA-N -1 3 295.333 3.124 20 10 CGCDHM C[C@H](c1ccco1)N(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000188264024 375186970 /nfs/dbraw/zinc/18/69/70/375186970.db2.gz RVUCEVUYFLIXCP-SNVBAGLBSA-N -1 3 287.315 3.057 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCc2sccc2C1 ZINC000272265554 378598929 /nfs/dbraw/zinc/59/89/29/378598929.db2.gz KQRDBNJQOOEQDU-UHFFFAOYSA-N -1 3 263.337 3.151 20 10 CGCDHM CCc1nc([C@H]2CCCCN2Cc2ccccc2[O-])no1 ZINC000376166766 379525315 /nfs/dbraw/zinc/52/53/15/379525315.db2.gz NWYBQNSHQKMVJM-CYBMUJFWSA-N -1 3 287.363 3.065 20 10 CGCDHM CC1(C)CN(Cc2cccc(Cl)c2[O-])CCCO1 ZINC000378445355 379826910 /nfs/dbraw/zinc/82/69/10/379826910.db2.gz TYEQFRANOHOLPT-UHFFFAOYSA-N -1 3 269.772 3.047 20 10 CGCDHM CC[C@H](NCc1c(C)noc1C)c1ccc(F)cc1[O-] ZINC000286103058 380161146 /nfs/dbraw/zinc/16/11/46/380161146.db2.gz NIOXFCDPAZGGGL-AWEZNQCLSA-N -1 3 278.327 3.377 20 10 CGCDHM C[C@@H]1CCCN1Cc1cc(Br)c(F)cc1[O-] ZINC001144299116 804970647 /nfs/dbraw/zinc/97/06/47/804970647.db2.gz PPGWPFHOVKQLAK-MRVPVSSYSA-N -1 3 288.160 3.278 20 10 CGCDHM Cc1ccc([C@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000365927014 382299828 /nfs/dbraw/zinc/29/98/28/382299828.db2.gz HMMCNLNGQJLNSY-AWEZNQCLSA-N -1 3 297.354 3.036 20 10 CGCDHM Cc1cccc(C)c1NC(=O)CN(C)Cc1ccccc1[O-] ZINC000109770916 392372938 /nfs/dbraw/zinc/37/29/38/392372938.db2.gz AJUAXGHOSVEEQL-UHFFFAOYSA-N -1 3 298.386 3.080 20 10 CGCDHM CCSCC[C@@H](C)N(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179529925 392702523 /nfs/dbraw/zinc/70/25/23/392702523.db2.gz QBLDEMOGZWSWRK-LLVKDONJSA-N -1 3 297.420 3.010 20 10 CGCDHM Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185348259 262051690 /nfs/dbraw/zinc/05/16/90/262051690.db2.gz SQTPUBXSOCPOES-VHSXEESVSA-N -1 3 293.798 3.499 20 10 CGCDHM Cc1cncc(/C=C\C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000492391629 332395455 /nfs/dbraw/zinc/39/54/55/332395455.db2.gz BHZWAHYGWBBXFF-FPLPWBNLSA-N -1 3 294.354 3.088 20 10 CGCDHM CC[C@@H](C)c1nnc([C@@H](C)NCc2cccc(F)c2[O-])[nH]1 ZINC000277327956 522439267 /nfs/dbraw/zinc/43/92/67/522439267.db2.gz UFCMBCJZQTVDHO-NXEZZACHSA-N -1 3 292.358 3.014 20 10 CGCDHM CC[C@@H](C)c1nc([C@@H](C)NCc2cccc(F)c2[O-])n[nH]1 ZINC000277327956 522439279 /nfs/dbraw/zinc/43/92/79/522439279.db2.gz UFCMBCJZQTVDHO-NXEZZACHSA-N -1 3 292.358 3.014 20 10 CGCDHM CCc1noc(C)c1CNCc1c([O-])cccc1Cl ZINC000293113221 522841735 /nfs/dbraw/zinc/84/17/35/522841735.db2.gz YQVPVQFREBSWTR-UHFFFAOYSA-N -1 3 280.755 3.194 20 10 CGCDHM Cc1ncc(CN[C@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000276979757 527277473 /nfs/dbraw/zinc/27/74/73/527277473.db2.gz VRCXUYQZUMGIGI-SSDOTTSWSA-N -1 3 284.331 3.286 20 10 CGCDHM Cc1noc(CN(Cc2ccccc2[O-])C2CCCC2)n1 ZINC000731847859 572429237 /nfs/dbraw/zinc/42/92/37/572429237.db2.gz PQRMNPXBZVCXQP-UHFFFAOYSA-N -1 3 287.363 3.028 20 10 CGCDHM C[C@H](NC(=O)c1cc([O-])cs1)c1ccc(F)c(F)c1 ZINC000732265220 572454980 /nfs/dbraw/zinc/45/49/80/572454980.db2.gz PPJTVFRTZNZPCQ-ZETCQYMHSA-N -1 3 283.299 3.223 20 10 CGCDHM O=C(NCCC1CCCCC1)c1cc([O-])cs1 ZINC000732268689 572456014 /nfs/dbraw/zinc/45/60/14/572456014.db2.gz KNUOLFHBKKZMMU-UHFFFAOYSA-N -1 3 253.367 3.154 20 10 CGCDHM CCC1CCC(N(C)C(=O)c2cc([O-])cs2)CC1 ZINC000732268094 572456049 /nfs/dbraw/zinc/45/60/49/572456049.db2.gz AXGWTVGISMZEOA-UHFFFAOYSA-N -1 3 267.394 3.495 20 10 CGCDHM O=C(Nc1ccc2ncsc2c1)c1cc([O-])cs1 ZINC000732270880 572456202 /nfs/dbraw/zinc/45/62/02/572456202.db2.gz WPTBAWMPKHQESI-UHFFFAOYSA-N -1 3 276.342 3.316 20 10 CGCDHM O=C(N[C@@H]1CCc2cc(F)ccc21)c1cc([O-])cs1 ZINC000732275708 572457045 /nfs/dbraw/zinc/45/70/45/572457045.db2.gz IXELKWJGCPQOLY-GFCCVEGCSA-N -1 3 277.320 3.010 20 10 CGCDHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2cc([O-])cs2)o1 ZINC000732273858 572457109 /nfs/dbraw/zinc/45/71/09/572457109.db2.gz DRXWOIKWODFZDG-LDYMZIIASA-N -1 3 277.345 3.100 20 10 CGCDHM C[C@@H]1CCC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000732276735 572457318 /nfs/dbraw/zinc/45/73/18/572457318.db2.gz ZFLDFWWUDMBNGK-ZJUUUORDSA-N -1 3 253.367 3.010 20 10 CGCDHM COc1ccc([C@@H](C)NC(=O)c2cc([O-])cs2)cc1F ZINC000732257736 572458050 /nfs/dbraw/zinc/45/80/50/572458050.db2.gz ADTFUWVYGPILSR-MRVPVSSYSA-N -1 3 295.335 3.092 20 10 CGCDHM COc1cc(Cl)ccc1CNC(=O)c1cc([O-])cs1 ZINC000732290019 572458939 /nfs/dbraw/zinc/45/89/39/572458939.db2.gz ONDBSJDRIRYXPN-UHFFFAOYSA-N -1 3 297.763 3.046 20 10 CGCDHM C[C@H](O)c1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000733325664 572556413 /nfs/dbraw/zinc/55/64/13/572556413.db2.gz RWHHVEXSSRPTML-NSHDSACASA-N -1 3 291.778 3.389 20 10 CGCDHM Cc1nonc1CN(Cc1ccccc1[O-])C1CCCC1 ZINC000734149890 572632101 /nfs/dbraw/zinc/63/21/01/572632101.db2.gz VULGUDZAJHOYSK-UHFFFAOYSA-N -1 3 287.363 3.028 20 10 CGCDHM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc([O-])cs1 ZINC000743417798 572658449 /nfs/dbraw/zinc/65/84/49/572658449.db2.gz CYOVISJRCWQLEQ-CKYFFXLPSA-N -1 3 265.378 3.247 20 10 CGCDHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc([O-])cs1 ZINC000734554438 572665238 /nfs/dbraw/zinc/66/52/38/572665238.db2.gz BSANUERZVHRPSG-YPMHNXCESA-N -1 3 287.384 3.472 20 10 CGCDHM CCC[C@@H](C)c1cc(NC(=O)c2cc([O-])cs2)n[nH]1 ZINC000743627371 572676055 /nfs/dbraw/zinc/67/60/55/572676055.db2.gz BXOKCDLEHNFLHU-MRVPVSSYSA-N -1 3 279.365 3.333 20 10 CGCDHM CCCC[C@H](C(=O)OC)N(CCC)Cc1ccccc1[O-] ZINC000743870585 572695067 /nfs/dbraw/zinc/69/50/67/572695067.db2.gz YEOHTVLXLVCOIX-OAHLLOKOSA-N -1 3 293.407 3.336 20 10 CGCDHM C[C@H](NC(=O)c1cc([O-])cs1)[C@@H](C)c1ccccc1 ZINC000746896001 572899273 /nfs/dbraw/zinc/89/92/73/572899273.db2.gz KOYYIGRWHPGFCI-MNOVXSKESA-N -1 3 275.373 3.376 20 10 CGCDHM Cc1cc(C)cc(N(C)C(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000179442983 618784629 /nfs/dbraw/zinc/78/46/29/618784629.db2.gz RWESISUXGXQXET-UHFFFAOYSA-N -1 3 285.343 3.300 20 10 CGCDHM CN(Cc1nc2ccccc2n1C)Cc1cc(F)ccc1[O-] ZINC000180148061 619013128 /nfs/dbraw/zinc/01/31/28/619013128.db2.gz IEZIRHKLDMJJIV-UHFFFAOYSA-N -1 3 299.349 3.050 20 10 CGCDHM CC[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000192895672 619123564 /nfs/dbraw/zinc/12/35/64/619123564.db2.gz LOSBMIQOLOPUSZ-GFCCVEGCSA-N -1 3 285.343 3.021 20 10 CGCDHM CC1(CC(F)F)CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895077900 619715642 /nfs/dbraw/zinc/71/56/42/619715642.db2.gz KVXJGSSTXSNSHD-UHFFFAOYSA-N -1 3 277.261 3.148 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)C1CCCCCC1 ZINC000928712090 620208583 /nfs/dbraw/zinc/20/85/83/620208583.db2.gz OMQHDXZDZOZSEP-UHFFFAOYSA-N -1 3 265.328 3.118 20 10 CGCDHM Cc1cc(C)cc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000751529885 626394683 /nfs/dbraw/zinc/39/46/83/626394683.db2.gz IKUCNSJSEXHSBA-UHFFFAOYSA-N -1 3 271.316 3.275 20 10 CGCDHM CC(C)C[C@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000769398846 627548655 /nfs/dbraw/zinc/54/86/55/627548655.db2.gz KHILEIKWUFEXNW-AWEZNQCLSA-N -1 3 283.799 3.293 20 10 CGCDHM C[C@@H](Nc1cnn(C)c1C1CC1)c1ccc(F)cc1[O-] ZINC000769982499 627594493 /nfs/dbraw/zinc/59/44/93/627594493.db2.gz XPDKWMAMHUBJAB-SECBINFHSA-N -1 3 275.327 3.315 20 10 CGCDHM O=C(NCc1ccc2ccccc2c1)c1cccc(O)c1[O-] ZINC000776328142 628194119 /nfs/dbraw/zinc/19/41/19/628194119.db2.gz PQOSXCOYYFQDFF-UHFFFAOYSA-N -1 3 293.322 3.181 20 10 CGCDHM C[C@H]1CCN(Cc2c([O-])cccc2Cl)C[C@H]1F ZINC000779151517 628390712 /nfs/dbraw/zinc/39/07/12/628390712.db2.gz ZLKSRUSEQWRQDO-JOYOIKCWSA-N -1 3 257.736 3.226 20 10 CGCDHM CCN(C(=O)c1cccc(O)c1[O-])c1ccc2[nH]ccc2c1 ZINC000788550011 629064105 /nfs/dbraw/zinc/06/41/05/629064105.db2.gz HTKZLOUDNZOMQU-UHFFFAOYSA-N -1 3 296.326 3.246 20 10 CGCDHM CCC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790474445 629212200 /nfs/dbraw/zinc/21/22/00/629212200.db2.gz FNNRINQJUXOTAE-CQSZACIVSA-N -1 3 285.343 3.369 20 10 CGCDHM CN(Cc1cccnc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816564404 632013378 /nfs/dbraw/zinc/01/33/78/632013378.db2.gz FCTBNYFTARXRTJ-UHFFFAOYSA-N -1 3 280.730 3.212 20 10 CGCDHM C[C@H]1C[C@@H](NCc2cccc(Cl)c2[O-])c2nccn21 ZINC000825017585 633319019 /nfs/dbraw/zinc/31/90/19/633319019.db2.gz VLXFSQWKYFAPGD-JOYOIKCWSA-N -1 3 277.755 3.038 20 10 CGCDHM COC[C@@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000825294692 633342165 /nfs/dbraw/zinc/34/21/65/633342165.db2.gz WRLMGFLUOOSESN-JTQLQIEISA-N -1 3 287.762 3.186 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](C2CCC2)CC1 ZINC000871223383 633732974 /nfs/dbraw/zinc/73/29/74/633732974.db2.gz UVXPASZRDUHHEA-CYBMUJFWSA-N -1 3 289.375 3.140 20 10 CGCDHM CC[C@@H](N[C@H]1CCn2ccnc21)c1cccc(Cl)c1[O-] ZINC000834830814 634250908 /nfs/dbraw/zinc/25/09/08/634250908.db2.gz GWGLXXDCTNWARW-OLZOCXBDSA-N -1 3 291.782 3.428 20 10 CGCDHM C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1cc(F)cc(F)c1[O-] ZINC000834892104 634270329 /nfs/dbraw/zinc/27/03/29/634270329.db2.gz AYOQTJYEMSCMKA-VYUIOLGVSA-N -1 3 293.317 3.224 20 10 CGCDHM CC[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1ccc(F)cc1[O-] ZINC000834894295 634271827 /nfs/dbraw/zinc/27/18/27/634271827.db2.gz KBQPACIWZVGDLZ-DDTOSNHZSA-N -1 3 289.354 3.475 20 10 CGCDHM CN(Cc1ccccc1Cl)C(=O)c1cccc(O)c1[O-] ZINC000126281115 634950534 /nfs/dbraw/zinc/95/05/34/634950534.db2.gz FRUXRQRKOKQWAS-UHFFFAOYSA-N -1 3 291.734 3.023 20 10 CGCDHM COCC[C@H](NCc1ccc(F)c(F)c1[O-])c1ccco1 ZINC000877183480 635009114 /nfs/dbraw/zinc/00/91/14/635009114.db2.gz FESALMDMMQOTPF-LBPRGKRZSA-N -1 3 297.301 3.131 20 10 CGCDHM C[C@@H]1Oc2ccccc2[C@H]1NCc1ccc(F)c(F)c1[O-] ZINC000877536548 635077685 /nfs/dbraw/zinc/07/76/85/635077685.db2.gz ULYSJRCMQGZUIM-VFZGTOFNSA-N -1 3 291.297 3.282 20 10 CGCDHM C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CCC1(F)F ZINC000877540305 635080048 /nfs/dbraw/zinc/08/00/48/635080048.db2.gz WBLRWTJHKPJKOB-QMMMGPOBSA-N -1 3 277.261 3.148 20 10 CGCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)CC2(CCC2)O1 ZINC000843432721 635674496 /nfs/dbraw/zinc/67/44/96/635674496.db2.gz OIZNJUYIADMNIU-NSHDSACASA-N -1 3 281.783 3.189 20 10 CGCDHM CC(=O)CCCCCCC(=O)NCc1c([O-])cccc1F ZINC000928706120 638889483 /nfs/dbraw/zinc/88/94/83/638889483.db2.gz RAGVGNDQDVKKKE-UHFFFAOYSA-N -1 3 295.354 3.077 20 10 CGCDHM O=C(Nc1cc(-c2ccccc2)on1)c1cccc(O)c1[O-] ZINC000193095753 640431604 /nfs/dbraw/zinc/43/16/04/640431604.db2.gz NDCNMKMGRXVGJX-UHFFFAOYSA-N -1 3 296.282 3.005 20 10 CGCDHM O=C(Cc1cccc(Cl)c1)NCc1c([O-])cccc1F ZINC001156170182 805662114 /nfs/dbraw/zinc/66/21/14/805662114.db2.gz IGHXQUSPCKVORH-UHFFFAOYSA-N -1 3 293.725 3.044 20 10 CGCDHM CN(C)c1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC000380847952 799368230 /nfs/dbraw/zinc/36/82/30/799368230.db2.gz RRBFKEDCEMOMLA-UHFFFAOYSA-N -1 3 290.794 3.401 20 10 CGCDHM C[C@@H](NCc1c([O-])cccc1Br)C(F)(F)F ZINC000706844272 799967394 /nfs/dbraw/zinc/96/73/94/799967394.db2.gz JOBXEMMZKSXEDH-ZCFIWIBFSA-N -1 3 298.102 3.195 20 10 CGCDHM C[C@]1(F)CCCCN(Cc2c([O-])cccc2F)C1 ZINC001137832618 803778490 /nfs/dbraw/zinc/77/84/90/803778490.db2.gz BJSSUJJNRNOVMT-AWEZNQCLSA-N -1 3 255.308 3.245 20 10 CGCDHM [O-]c1cccc(F)c1CN1CCOC2(CCCCC2)C1 ZINC001137840033 803781383 /nfs/dbraw/zinc/78/13/83/803781383.db2.gz PSBHNVTUKAUZMS-UHFFFAOYSA-N -1 3 279.355 3.066 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CCOc2ccccc2C1 ZINC001140467607 804444177 /nfs/dbraw/zinc/44/41/77/804444177.db2.gz ZLEWGEXPGGYCJH-UHFFFAOYSA-N -1 3 289.762 3.440 20 10 CGCDHM CC(C)(C)c1cc([O-])c(CN2CCC(=O)C2)cc1Cl ZINC001248883488 805033332 /nfs/dbraw/zinc/03/33/32/805033332.db2.gz JBMDLSHLRCBPMA-UHFFFAOYSA-N -1 3 281.783 3.118 20 10 CGCDHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](C)C2 ZINC001300808267 809574880 /nfs/dbraw/zinc/57/48/80/809574880.db2.gz TVUPHYOBBYTBHT-BZNIZROVSA-N -1 3 297.354 3.070 20 10 CGCDHM CC1(C)C[C@@]1(NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001301430276 809583937 /nfs/dbraw/zinc/58/39/37/809583937.db2.gz DKLTUTZWOYGTGC-GOSISDBHSA-N -1 3 297.354 3.153 20 10 CGCDHM COc1ccc(N(C)Cc2cc(F)c(F)cc2[O-])cc1F ZINC001180759263 810021872 /nfs/dbraw/zinc/02/18/72/810021872.db2.gz QEGXKTKSBREAHZ-UHFFFAOYSA-N -1 3 297.276 3.455 20 10 CGCDHM Cc1ccc(-c2noc(-c3cccc(O)c3[O-])n2)c(C)c1 ZINC001215143571 815488874 /nfs/dbraw/zinc/48/88/74/815488874.db2.gz CFBVNTVXGPXUAA-UHFFFAOYSA-N -1 3 282.299 3.432 20 10 CGCDHM [O-]c1c(O)cccc1-c1nc(-c2cc(F)ccc2F)no1 ZINC001215143761 815488909 /nfs/dbraw/zinc/48/89/09/815488909.db2.gz QKAJYJTXVYAISH-UHFFFAOYSA-N -1 3 290.225 3.093 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCc2occc2C1 ZINC001203664544 812421800 /nfs/dbraw/zinc/42/18/00/812421800.db2.gz JXQPDIIERVEYSF-UHFFFAOYSA-N -1 3 263.724 3.197 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1Cc2ncsc2C1 ZINC001203664481 812423098 /nfs/dbraw/zinc/42/30/98/812423098.db2.gz GSCVYFVPNVXLEZ-UHFFFAOYSA-N -1 3 266.753 3.018 20 10 CGCDHM CN(C)c1cc(F)cc(NCc2cc(F)c(F)cc2[O-])c1 ZINC001206484413 813332324 /nfs/dbraw/zinc/33/23/24/813332324.db2.gz JNWQMVRVTRMOLL-UHFFFAOYSA-N -1 3 296.292 3.488 20 10 CGCDHM CCc1ccncc1NCc1cc(F)c(F)cc1[O-] ZINC001206553165 813351026 /nfs/dbraw/zinc/35/10/26/813351026.db2.gz RXYYZGHVSFORJE-UHFFFAOYSA-N -1 3 264.275 3.240 20 10 CGCDHM C[N@H+](CCCc1ccccc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231451740 818102709 /nfs/dbraw/zinc/10/27/09/818102709.db2.gz SSTZIBFIUFQJSG-UHFFFAOYSA-N -1 3 299.370 3.155 20 10 CGCDHM C[N@@H+](CCCc1ccccc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231451740 818102715 /nfs/dbraw/zinc/10/27/15/818102715.db2.gz SSTZIBFIUFQJSG-UHFFFAOYSA-N -1 3 299.370 3.155 20 10 CGCDHM CCCCOC1CN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001231870556 818193223 /nfs/dbraw/zinc/19/32/23/818193223.db2.gz IHVQFYXJMDDMGK-UHFFFAOYSA-N -1 3 283.799 3.355 20 10 CGCDHM [O-]c1c(CN2C[C@H]3CC[C@@H](C2)C3(F)F)ccc(F)c1F ZINC001233075716 818517852 /nfs/dbraw/zinc/51/78/52/818517852.db2.gz ALAQLTGIFSOHMB-AOOOYVTPSA-N -1 3 289.272 3.148 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCC(C(F)F)CC1 ZINC001233335381 818586837 /nfs/dbraw/zinc/58/68/37/818586837.db2.gz SMOYGUUYEOARDU-UHFFFAOYSA-N -1 3 277.261 3.148 20 10 CGCDHM [O-]c1c(CN2CC(C(F)F)C2)cccc1C(F)(F)F ZINC001233420039 818614432 /nfs/dbraw/zinc/61/44/32/818614432.db2.gz WYGDPEPUWYIJON-UHFFFAOYSA-N -1 3 281.224 3.108 20 10 CGCDHM COc1cc([O-])c(CN2CCCC[C@@H](F)C2)c(Cl)c1 ZINC001236797490 819598022 /nfs/dbraw/zinc/59/80/22/819598022.db2.gz FOUBDQOFSCCJTN-SNVBAGLBSA-N -1 3 287.762 3.378 20 10 CGCDHM CO[C@H](C)C1CN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236805215 819602613 /nfs/dbraw/zinc/60/26/13/819602613.db2.gz XMNIWXDXBPRTDB-MRVPVSSYSA-N -1 3 290.190 3.166 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c(Cl)c1 ZINC001462176365 937622737 /nfs/dbraw/zinc/62/27/37/937622737.db2.gz IWXQUOJFURXOEF-ZBEGNZNMSA-N -1 3 295.810 3.353 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CC(Cc2ccsc2)C1 ZINC001462459977 937642754 /nfs/dbraw/zinc/64/27/54/937642754.db2.gz QICBZDZLTSYGRS-UHFFFAOYSA-N -1 3 295.354 3.406 20 10 CGCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC001324918401 934873341 /nfs/dbraw/zinc/87/33/41/934873341.db2.gz DWRKUVQTNOGNGG-ZDUSSCGKSA-N -1 3 289.306 3.118 20 10 CGCDHM CC[C@@H]1CO[C@H](C)CN1Cc1c([O-])cc(C)cc1Cl ZINC001560726957 938272570 /nfs/dbraw/zinc/27/25/70/938272570.db2.gz LPEKQDFNNBOCLO-VXGBXAGGSA-N -1 3 283.799 3.353 20 10 CGCDHM CC[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])[C@@H](CC)CO1 ZINC001560919663 938284094 /nfs/dbraw/zinc/28/40/94/938284094.db2.gz KGLONKBCVYABGB-NWDGAFQWSA-N -1 3 285.334 3.060 20 10 CGCDHM CC[C@@H](NCc1c[nH]nc1C)c1cccc(Cl)c1[O-] ZINC000287611787 371682715 /nfs/dbraw/zinc/68/27/15/371682715.db2.gz JGGLOVDSHQHWBJ-CYBMUJFWSA-N -1 3 279.771 3.318 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000160244929 372229690 /nfs/dbraw/zinc/22/96/90/372229690.db2.gz NKDAUMLFLSWREC-JTQLQIEISA-N -1 3 277.261 3.306 20 10 CGCDHM CCc1noc(C)c1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000293636811 372431213 /nfs/dbraw/zinc/43/12/13/372431213.db2.gz GVGSKCRPTRDPOJ-SECBINFHSA-N -1 3 278.327 3.241 20 10 CGCDHM C[C@H](N[C@H](CO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187723227 375081300 /nfs/dbraw/zinc/08/13/00/375081300.db2.gz BKUHVYAMNZALLA-IINYFYTJSA-N -1 3 293.313 3.055 20 10 CGCDHM Cc1csc(C2(NCc3ccccc3[O-])CCC2)n1 ZINC000263651889 377949609 /nfs/dbraw/zinc/94/96/09/377949609.db2.gz DIRHISHRSJQZDL-UHFFFAOYSA-N -1 3 274.389 3.326 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCc2ccsc2C1 ZINC000272231735 378591404 /nfs/dbraw/zinc/59/14/04/378591404.db2.gz DYIXOTYIUCEIFL-UHFFFAOYSA-N -1 3 263.337 3.151 20 10 CGCDHM CC(C)c1nnc([C@H](C)N[C@H](C)c2ccc(F)cc2[O-])[nH]1 ZINC000273451649 378748301 /nfs/dbraw/zinc/74/83/01/378748301.db2.gz GCHFILSEWQVDQD-ZJUUUORDSA-N -1 3 292.358 3.185 20 10 CGCDHM CCc1nnc([C@@H](C)N[C@@H](C)c2cc(Cl)ccc2[O-])[nH]1 ZINC000273524559 378751820 /nfs/dbraw/zinc/75/18/20/378751820.db2.gz UXSIALQTKDJNAQ-DTWKUNHWSA-N -1 3 294.786 3.138 20 10 CGCDHM CC[C@@H]1CN(Cc2cccc(Cl)c2[O-])CCCO1 ZINC000281340176 379830063 /nfs/dbraw/zinc/83/00/63/379830063.db2.gz SPDCCUWNBBJRLY-GFCCVEGCSA-N -1 3 269.772 3.047 20 10 CGCDHM CCCCN(Cc1nnc(CC)o1)Cc1ccccc1[O-] ZINC000282488673 379930804 /nfs/dbraw/zinc/93/08/04/379930804.db2.gz PORYMYJPZMHXHO-UHFFFAOYSA-N -1 3 289.379 3.140 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC(C2CCCC2)CC1 ZINC000366168029 382304425 /nfs/dbraw/zinc/30/44/25/382304425.db2.gz DANHEDBABVCUDS-UHFFFAOYSA-N -1 3 289.375 3.140 20 10 CGCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1cccnc1 ZINC000020141045 171027841 /nfs/dbraw/zinc/02/78/41/171027841.db2.gz AOFLZLRRPPULDP-UHFFFAOYSA-N -1 3 283.158 3.384 20 10 CGCDHM CCc1noc(CC)c1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000185678494 262065938 /nfs/dbraw/zinc/06/59/38/262065938.db2.gz ZPVPZTWXAKJAJU-SNVBAGLBSA-N -1 3 292.354 3.495 20 10 CGCDHM Cc1c2ccccc2n(C)c1C[N-]c1nnc(C(F)F)o1 ZINC000287854971 263102991 /nfs/dbraw/zinc/10/29/91/263102991.db2.gz XLWLHMNFSXLLJD-UHFFFAOYSA-N -1 3 292.289 3.419 20 10 CGCDHM C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1cn[nH]c1 ZINC000229883176 329358368 /nfs/dbraw/zinc/35/83/68/329358368.db2.gz RPAFTLXQOUYHIM-SSDOTTSWSA-N -1 3 286.162 3.273 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCSC2)c1[O-] ZINC000050133446 518279136 /nfs/dbraw/zinc/27/91/36/518279136.db2.gz UTUVWFVLOUFVRU-GFCCVEGCSA-N -1 3 299.823 3.186 20 10 CGCDHM Cc1ccc(C)c(COC(=O)c2cc([O-])cs2)c1 ZINC000731909179 572435802 /nfs/dbraw/zinc/43/58/02/572435802.db2.gz BUWQJPFDZOPUNU-UHFFFAOYSA-N -1 3 262.330 3.428 20 10 CGCDHM COc1cccc([O-])c1CNCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000725847284 572439538 /nfs/dbraw/zinc/43/95/38/572439538.db2.gz YMKYLSHFYOWSOU-AAEUAGOBSA-N -1 3 287.359 3.407 20 10 CGCDHM Cn1ccnc1CN(Cc1ccccc1[O-])C1CCCC1 ZINC000732204188 572451486 /nfs/dbraw/zinc/45/14/86/572451486.db2.gz FMKZCBYIPURTOO-UHFFFAOYSA-N -1 3 285.391 3.071 20 10 CGCDHM O=C(c1cc([O-])cs1)N(Cc1ccccc1)C1CC1 ZINC000732266513 572454785 /nfs/dbraw/zinc/45/47/85/572454785.db2.gz DYMOWOSQTDMRTD-UHFFFAOYSA-N -1 3 273.357 3.259 20 10 CGCDHM CN(CCCc1ccccc1)C(=O)c1cc([O-])cs1 ZINC000732270598 572455669 /nfs/dbraw/zinc/45/56/69/572455669.db2.gz QFVGAHXQRCMIHN-UHFFFAOYSA-N -1 3 275.373 3.159 20 10 CGCDHM Cc1ccccc1C1(CNC(=O)c2cc([O-])cs2)CC1 ZINC000732282233 572458304 /nfs/dbraw/zinc/45/83/04/572458304.db2.gz BCKMWZMIUJCWRH-UHFFFAOYSA-N -1 3 287.384 3.224 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CC[C@@H](c2ccccc2F)C1 ZINC000732290066 572459007 /nfs/dbraw/zinc/45/90/07/572459007.db2.gz PMQBNDKPCLOZKC-SNVBAGLBSA-N -1 3 291.347 3.223 20 10 CGCDHM Cc1cc(COC(=O)c2cc([O-])cs2)c(C)s1 ZINC000732353651 572461332 /nfs/dbraw/zinc/46/13/32/572461332.db2.gz IYUPAXWCWCRBAV-UHFFFAOYSA-N -1 3 268.359 3.489 20 10 CGCDHM Cc1c(CNC(=O)c2cc([O-])cs2)oc2ccccc12 ZINC000734551434 572665220 /nfs/dbraw/zinc/66/52/20/572665220.db2.gz XNRLDRIKKPVMIK-UHFFFAOYSA-N -1 3 287.340 3.438 20 10 CGCDHM C[C@@H]1CCC[C@@H](CCNC(=O)c2cc([O-])cs2)C1 ZINC000734558395 572666079 /nfs/dbraw/zinc/66/60/79/572666079.db2.gz SJIHIDQRGKHHDS-MNOVXSKESA-N -1 3 267.394 3.400 20 10 CGCDHM CCOc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000177659008 618833850 /nfs/dbraw/zinc/83/38/50/618833850.db2.gz ZCNRZPVOBKIZIJ-UHFFFAOYSA-N -1 3 287.315 3.057 20 10 CGCDHM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CCC1(F)F ZINC000894789835 619632748 /nfs/dbraw/zinc/63/27/48/619632748.db2.gz KRLUYVQMZSHMJP-QMMMGPOBSA-N -1 3 277.261 3.148 20 10 CGCDHM Cc1ncoc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000894781029 619634096 /nfs/dbraw/zinc/63/40/96/619634096.db2.gz MKCHCTLBHZUSMR-UHFFFAOYSA-N -1 3 287.146 3.285 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CC(C(F)(F)F)C1 ZINC000894892278 619670946 /nfs/dbraw/zinc/67/09/46/619670946.db2.gz OESNXYGJDQUDTL-UHFFFAOYSA-N -1 3 265.662 3.040 20 10 CGCDHM CC(C)c1nsc(NCc2c([O-])cccc2F)n1 ZINC000895832607 619894438 /nfs/dbraw/zinc/89/44/38/619894438.db2.gz IOODGLRGPXQAMD-UHFFFAOYSA-N -1 3 267.329 3.118 20 10 CGCDHM [O-]c1cccc(F)c1CNCc1c(Cl)n[nH]c1C1CC1 ZINC000896642138 620040106 /nfs/dbraw/zinc/04/01/06/620040106.db2.gz WLKLOCSCLJGGFC-UHFFFAOYSA-N -1 3 295.745 3.075 20 10 CGCDHM CSCc1cnc(CNCc2c([O-])cccc2F)s1 ZINC000896637932 620041676 /nfs/dbraw/zinc/04/16/76/620041676.db2.gz MCXRWZLPAKQTRF-UHFFFAOYSA-N -1 3 298.408 3.141 20 10 CGCDHM CC1(C(=O)NCc2c([O-])cccc2F)CCCCC1 ZINC000928707124 620207841 /nfs/dbraw/zinc/20/78/41/620207841.db2.gz AMLXWTPUNMSNPK-UHFFFAOYSA-N -1 3 265.328 3.118 20 10 CGCDHM O=C(C=C1CCCCC1)NCc1c([O-])cccc1F ZINC000928712233 620208746 /nfs/dbraw/zinc/20/87/46/620208746.db2.gz PBELGEFKWQHKTP-UHFFFAOYSA-N -1 3 263.312 3.038 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@H](c2ccco2)C1 ZINC000769544101 627564624 /nfs/dbraw/zinc/56/46/24/627564624.db2.gz UEDVBVXGGSPRBP-HNNXBMFYSA-N -1 3 293.750 3.212 20 10 CGCDHM CC(C)[C@H]1CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775763433 628134029 /nfs/dbraw/zinc/13/40/29/628134029.db2.gz GJUMHEYBKPNPLF-GFCCVEGCSA-N -1 3 257.736 3.415 20 10 CGCDHM Cc1ccc(C(=O)Nc2ccc(F)c(C)c2)c([O-])c1O ZINC000780929500 628524701 /nfs/dbraw/zinc/52/47/01/628524701.db2.gz SDDIWEYTTZOAOL-UHFFFAOYSA-N -1 3 275.279 3.106 20 10 CGCDHM Cc1ccc(C(=O)N2C[C@H](C)Cc3ccccc32)c([O-])c1O ZINC000780931402 628525162 /nfs/dbraw/zinc/52/51/62/628525162.db2.gz JBJKSBJVJCWXIP-LLVKDONJSA-N -1 3 297.354 3.245 20 10 CGCDHM Cc1cc(Br)c([O-])c(CN2CCC2(C)C)c1 ZINC000781912411 628604714 /nfs/dbraw/zinc/60/47/14/628604714.db2.gz POGHRNLVQNIESM-UHFFFAOYSA-N -1 3 284.197 3.447 20 10 CGCDHM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1cccc(O)c1[O-] ZINC000790914475 629240808 /nfs/dbraw/zinc/24/08/08/629240808.db2.gz BBHKVYAXNKIHKW-UHFFFAOYSA-N -1 3 294.310 3.345 20 10 CGCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](C2CC2)O1 ZINC000793219889 629430547 /nfs/dbraw/zinc/43/05/47/629430547.db2.gz PJMUCRVACHITAB-BMIGLBTASA-N -1 3 281.783 3.045 20 10 CGCDHM [O-]c1cc2c(cc1CN1CCO[C@H]3C[C@H]31)oc1ccccc12 ZINC000793611333 629490556 /nfs/dbraw/zinc/49/05/56/629490556.db2.gz DNXWCZXBEJCVID-KDOFPFPSSA-N -1 3 295.338 3.265 20 10 CGCDHM CC[C@H](NCc1ncccc1F)c1ccc(F)cc1[O-] ZINC000796840269 629845738 /nfs/dbraw/zinc/84/57/38/629845738.db2.gz MMYYGGOHSNQVQT-ZDUSSCGKSA-N -1 3 278.302 3.306 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2CCC=C(C)C2)c1[O-] ZINC000797998470 630013226 /nfs/dbraw/zinc/01/32/26/630013226.db2.gz HOEUUTLGEYROMC-UHFFFAOYSA-N -1 3 279.767 3.400 20 10 CGCDHM CCO[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816477590 631986802 /nfs/dbraw/zinc/98/68/02/631986802.db2.gz CSYFLLBWXZLUHX-LLVKDONJSA-N -1 3 287.762 3.186 20 10 CGCDHM CCc1cc(CNCc2cc(Cl)c(F)cc2[O-])on1 ZINC000816528090 632004806 /nfs/dbraw/zinc/00/48/06/632004806.db2.gz LZSUHKLAKRECNM-UHFFFAOYSA-N -1 3 284.718 3.025 20 10 CGCDHM Cc1cc(Br)c([O-])c(CN2CC3(CC3)C2)c1 ZINC000824533938 633255580 /nfs/dbraw/zinc/25/55/80/633255580.db2.gz SVRQIAPEDQFAFZ-UHFFFAOYSA-N -1 3 282.181 3.059 20 10 CGCDHM CC[C@@H](NCc1ccc(Br)cc1[O-])C(F)F ZINC000826029508 633398908 /nfs/dbraw/zinc/39/89/08/633398908.db2.gz GUBBEJPLWUXTSE-SECBINFHSA-N -1 3 294.139 3.288 20 10 CGCDHM CCCc1ncc(CN[C@@H](C)c2ccc(F)cc2[O-])o1 ZINC000834900401 634276329 /nfs/dbraw/zinc/27/63/29/634276329.db2.gz PMLDSBHBNHPTNU-JTQLQIEISA-N -1 3 278.327 3.323 20 10 CGCDHM Cc1cc([O-])c(CN2CCC[C@H]2c2ncon2)c(Cl)c1 ZINC000840912432 635081053 /nfs/dbraw/zinc/08/10/53/635081053.db2.gz HQYRATOURXNARO-LBPRGKRZSA-N -1 3 293.754 3.074 20 10 CGCDHM Cc1cc(Cl)cc(C[NH2+]CCCCCC(=O)[O-])c1[O-] ZINC000840995428 635100040 /nfs/dbraw/zinc/10/00/40/635100040.db2.gz LHHSDMCAEWURBE-UHFFFAOYSA-N -1 3 285.771 3.089 20 10 CGCDHM Cc1c(N[C@H](C)c2ccc(Cl)cc2[O-])cnn1C ZINC000841755236 635228475 /nfs/dbraw/zinc/22/84/75/635228475.db2.gz XZYTWCHMKYDYJJ-MRVPVSSYSA-N -1 3 265.744 3.261 20 10 CGCDHM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC2(CCC2)O1 ZINC000843433436 635674590 /nfs/dbraw/zinc/67/45/90/635674590.db2.gz ZXOKLWUSOIECCS-LLVKDONJSA-N -1 3 281.783 3.189 20 10 CGCDHM C[C@]1(c2ccccc2)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000882024462 636235210 /nfs/dbraw/zinc/23/52/10/636235210.db2.gz UCRLIFGPUAOLJM-GOSISDBHSA-N -1 3 297.354 3.249 20 10 CGCDHM C[C@@]1(c2ccccc2)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000882024463 636235555 /nfs/dbraw/zinc/23/55/55/636235555.db2.gz UCRLIFGPUAOLJM-SFHVURJKSA-N -1 3 297.354 3.249 20 10 CGCDHM C[C@H](NC1(c2ncccn2)CCC1)c1ccc(F)cc1[O-] ZINC000883311454 636660788 /nfs/dbraw/zinc/66/07/88/636660788.db2.gz AHQTYEKCFOMGFN-NSHDSACASA-N -1 3 287.338 3.051 20 10 CGCDHM Cc1cnc(CN[C@@H](C)c2c([O-])cccc2F)s1 ZINC000886532449 637558021 /nfs/dbraw/zinc/55/80/21/637558021.db2.gz JFBYFKSQECYILK-VIFPVBQESA-N -1 3 266.341 3.147 20 10 CGCDHM C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886547280 637573788 /nfs/dbraw/zinc/57/37/88/637573788.db2.gz IMWMFDXNLYQMAU-HZMBPMFUSA-N -1 3 293.313 3.055 20 10 CGCDHM COc1cc(N[C@H](C)c2c([O-])cccc2F)cnc1OC ZINC000886641762 637624722 /nfs/dbraw/zinc/62/47/22/637624722.db2.gz RIARERWVPQTINO-SECBINFHSA-N -1 3 292.310 3.117 20 10 CGCDHM O=C(C[C@@H]1CCc2ccccc21)NCc1c([O-])cccc1F ZINC000928704500 638888982 /nfs/dbraw/zinc/88/89/82/638888982.db2.gz ADOKZZOZQWHYDV-ZDUSSCGKSA-N -1 3 299.345 3.268 20 10 CGCDHM CC(C)(C)C1CC(NC(=O)NCc2c([O-])cccc2F)C1 ZINC001251484806 805901110 /nfs/dbraw/zinc/90/11/10/805901110.db2.gz RJDLCFIUYDSERM-UHFFFAOYSA-N -1 3 294.370 3.155 20 10 CGCDHM Nc1ccc(Nc2nc3c(cccc3[O-])s2)cc1 ZINC001159113121 806044037 /nfs/dbraw/zinc/04/40/37/806044037.db2.gz LSYXMLLYQIKFAP-UHFFFAOYSA-N -1 3 257.318 3.328 20 10 CGCDHM C[C@@H](N[C@H]1CCCC1(F)F)c1cc(F)ccc1[O-] ZINC000398212081 799528476 /nfs/dbraw/zinc/52/84/76/799528476.db2.gz SRMAEKWIDGTGJD-PELKAZGASA-N -1 3 259.271 3.370 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000708387236 799986312 /nfs/dbraw/zinc/98/63/12/799986312.db2.gz ZIEFPFHMMIAXDX-VIFPVBQESA-N -1 3 295.251 3.445 20 10 CGCDHM Cc1csc([C@H](C)NCc2cc(F)cc(F)c2[O-])n1 ZINC000708549348 799992021 /nfs/dbraw/zinc/99/20/21/799992021.db2.gz PWSBZXGKDROJSH-QMMMGPOBSA-N -1 3 284.331 3.286 20 10 CGCDHM C[C@@]1(F)CCN(Cc2ccc(Cl)cc2[O-])C[C@@H]1F ZINC001140462521 804440637 /nfs/dbraw/zinc/44/06/37/804440637.db2.gz IBMHYWRAPUNXTJ-QWHCGFSZSA-N -1 3 275.726 3.318 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CCc2ncsc2C1 ZINC001140464852 804443590 /nfs/dbraw/zinc/44/35/90/804443590.db2.gz CMRUDRQNSQFBDW-UHFFFAOYSA-N -1 3 280.780 3.060 20 10 CGCDHM CN(Cc1ccccc1O)Cc1ccc([O-])c(F)c1F ZINC001140893567 804545345 /nfs/dbraw/zinc/54/53/45/804545345.db2.gz TUBGZTOJURGOMG-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM CC(=O)CN(C)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248881186 805029732 /nfs/dbraw/zinc/02/97/32/805029732.db2.gz SAAQQGJRZQLUDJ-UHFFFAOYSA-N -1 3 283.799 3.364 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCc2ccccc21 ZINC001180326610 809993754 /nfs/dbraw/zinc/99/37/54/809993754.db2.gz MTMJBTBXIJRYKY-UHFFFAOYSA-N -1 3 261.271 3.233 20 10 CGCDHM [O-]c1c(O)cccc1-c1nc(-c2ncccc2C2CC2)no1 ZINC001215145827 815489057 /nfs/dbraw/zinc/48/90/57/815489057.db2.gz LOHMBRSJLPNHOK-UHFFFAOYSA-N -1 3 295.298 3.087 20 10 CGCDHM Cc1cccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1C ZINC001215327744 815507063 /nfs/dbraw/zinc/50/70/63/815507063.db2.gz QQYQKRZNQRDKDW-UHFFFAOYSA-N -1 3 298.298 3.137 20 10 CGCDHM Cc1cc([C@@H]2CCCN2Cc2cc(F)c(F)cc2[O-])on1 ZINC001204840526 812751263 /nfs/dbraw/zinc/75/12/63/812751263.db2.gz MBRVMIUZIPVJFH-ZDUSSCGKSA-N -1 3 294.301 3.304 20 10 CGCDHM CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@@H](C)O1 ZINC001204899891 812769050 /nfs/dbraw/zinc/76/90/50/812769050.db2.gz UMFPWBOIJLGSIK-DGCLKSJQSA-N -1 3 283.799 3.353 20 10 CGCDHM CCn1ccc(CN(C)Cc2cc(F)c(F)cc2[O-])c1 ZINC001205408884 812980199 /nfs/dbraw/zinc/98/01/99/812980199.db2.gz DFNJCFHGSNTJFC-UHFFFAOYSA-N -1 3 280.318 3.124 20 10 CGCDHM Cc1cc([O-])c(C[NH2+]Cc2c([O-])cccc2F)cc1Cl ZINC001207621305 813616739 /nfs/dbraw/zinc/61/67/39/813616739.db2.gz DQYQPCLXTABHMB-UHFFFAOYSA-N -1 3 295.741 3.489 20 10 CGCDHM CC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231448559 818100136 /nfs/dbraw/zinc/10/01/36/818100136.db2.gz HXFCEJXEROBTFF-UHFFFAOYSA-N -1 3 285.343 3.113 20 10 CGCDHM CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231448559 818100143 /nfs/dbraw/zinc/10/01/43/818100143.db2.gz HXFCEJXEROBTFF-UHFFFAOYSA-N -1 3 285.343 3.113 20 10 CGCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)c([O-])c1 ZINC001231452275 818102736 /nfs/dbraw/zinc/10/27/36/818102736.db2.gz JUZXBWJRXCHWAY-INIZCTEOSA-N -1 3 297.354 3.428 20 10 CGCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)c([O-])c1 ZINC001231452275 818102739 /nfs/dbraw/zinc/10/27/39/818102739.db2.gz JUZXBWJRXCHWAY-INIZCTEOSA-N -1 3 297.354 3.428 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1Cl ZINC001231867016 818191799 /nfs/dbraw/zinc/19/17/99/818191799.db2.gz GNGFRWYJCZXYBC-XHVZSJERSA-N -1 3 269.747 3.144 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1Cl ZINC001231867014 818192422 /nfs/dbraw/zinc/19/24/22/818192422.db2.gz GNGFRWYJCZXYBC-GAFUQQFSSA-N -1 3 269.747 3.144 20 10 CGCDHM Cc1cc([O-])c(CN2CCCC(=O)[C@@H](C)C2)cc1Cl ZINC001231869750 818194234 /nfs/dbraw/zinc/19/42/34/818194234.db2.gz XNMIESXSIZRASM-NSHDSACASA-N -1 3 281.783 3.155 20 10 CGCDHM CN(Cc1ccc(F)cc1)Cc1c([O-])ccc(F)c1F ZINC001233331557 818582859 /nfs/dbraw/zinc/58/28/59/818582859.db2.gz BFOICXQIUFDNEV-UHFFFAOYSA-N -1 3 281.277 3.442 20 10 CGCDHM C[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CCCO1 ZINC001233415782 818613257 /nfs/dbraw/zinc/61/32/57/818613257.db2.gz IQJPSXPZRJWLBX-SNVBAGLBSA-N -1 3 289.297 3.022 20 10 CGCDHM CN(Cc1ccccn1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416182 818615305 /nfs/dbraw/zinc/61/53/05/818615305.db2.gz YSFICUCAHOJGEY-UHFFFAOYSA-N -1 3 296.292 3.438 20 10 CGCDHM [O-]c1cc(C(F)(F)F)ccc1CN1C[C@@H](F)C[C@H]1CF ZINC001233451907 818623157 /nfs/dbraw/zinc/62/31/57/818623157.db2.gz CYWGYQTYKKIGSS-QWRGUYRKSA-N -1 3 295.251 3.293 20 10 CGCDHM C[C@@H]1CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235300398 819064282 /nfs/dbraw/zinc/06/42/82/819064282.db2.gz YJJQWMXEIMZMGX-MRVPVSSYSA-N -1 3 288.160 3.136 20 10 CGCDHM COc1cc([O-])c(CN2CCC[C@@](C)(F)C2)c(Cl)c1 ZINC001236797181 819596705 /nfs/dbraw/zinc/59/67/05/819596705.db2.gz CNJWGXAHDNOHHX-CQSZACIVSA-N -1 3 287.762 3.378 20 10 CGCDHM COc1cc([O-])c(CN2CCCC[C@H](F)C2)c(Cl)c1 ZINC001236797485 819598216 /nfs/dbraw/zinc/59/82/16/819598216.db2.gz FOUBDQOFSCCJTN-JTQLQIEISA-N -1 3 287.762 3.378 20 10 CGCDHM CCCO[C@H]1CCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236813138 819605127 /nfs/dbraw/zinc/60/51/27/819605127.db2.gz KAKQOSBWUUEDGR-LBPRGKRZSA-N -1 3 299.798 3.055 20 10 CGCDHM C[C@H]1C[C@H](O)CCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237084822 819663622 /nfs/dbraw/zinc/66/36/22/819663622.db2.gz OAJHCQQAZIRYRA-DTWKUNHWSA-N -1 3 290.190 3.044 20 10 CGCDHM [O-]c1ccc(Cl)cc1C[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001474608988 937207375 /nfs/dbraw/zinc/20/73/75/937207375.db2.gz MJKLISPBEOUUBA-UHFFFAOYSA-N -1 3 299.704 3.319 20 10 CGCDHM CCCC[C@@H](NCc1cc(Cl)c(C)cc1[O-])C(=O)OC ZINC001308670137 928537675 /nfs/dbraw/zinc/53/76/75/928537675.db2.gz NPQQMFKKCVUQQZ-CYBMUJFWSA-N -1 3 299.798 3.175 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1sccc1Cl ZINC001456029302 937424595 /nfs/dbraw/zinc/42/45/95/937424595.db2.gz MHLXJNZTKVJWDH-UHFFFAOYSA-N -1 3 285.727 3.176 20 10 CGCDHM C[C@]1(C2CC2)CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001308858374 933191530 /nfs/dbraw/zinc/19/15/30/933191530.db2.gz UVKUXSBQEKGZBF-OAHLLOKOSA-N -1 3 281.783 3.047 20 10 CGCDHM CC(C)(NCc1c([O-])cccc1Br)C(F)F ZINC001331276700 935364827 /nfs/dbraw/zinc/36/48/27/935364827.db2.gz AJJRKPGSNIRYPU-UHFFFAOYSA-N -1 3 294.139 3.288 20 10 CGCDHM CC[C@@H]([NH2+]Cc1ccccc1CC(=O)[O-])c1ccccc1[O-] ZINC001595304221 980438269 /nfs/dbraw/zinc/43/82/69/980438269.db2.gz BPUWFYBPHFAGSS-MRXNPFEDSA-N -1 3 299.370 3.260 20 10 CGCDHM C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594352550 999334849 /nfs/dbraw/zinc/33/48/49/999334849.db2.gz IQPXTYKNBSZHQM-MDZLAQPJSA-N -1 3 277.364 3.320 20 10 CGCDHM Cc1ccc(C(=O)N2CCC[C@@H]2C2CCCC2)c([O-])c1O ZINC000179445260 346253455 /nfs/dbraw/zinc/25/34/55/346253455.db2.gz ZWGBHIRKEWQLPY-CQSZACIVSA-N -1 3 289.375 3.201 20 10 CGCDHM C[C@H](NCc1ncc(C(F)(F)F)cn1)c1ccccc1[O-] ZINC000296512352 373158830 /nfs/dbraw/zinc/15/88/30/373158830.db2.gz PMTANHSAYGIWLV-VIFPVBQESA-N -1 3 297.280 3.052 20 10 CGCDHM [O-]c1ccc(F)cc1CNC1(c2ccccc2F)CC1 ZINC000180773572 374044535 /nfs/dbraw/zinc/04/45/35/374044535.db2.gz LWXVPBAKVZIANL-UHFFFAOYSA-N -1 3 275.298 3.449 20 10 CGCDHM Cc1cnc(CCN(C)Cc2c([O-])cccc2Cl)s1 ZINC000271174201 378470401 /nfs/dbraw/zinc/47/04/01/378470401.db2.gz GFFDAORBKNQSNZ-UHFFFAOYSA-N -1 3 296.823 3.485 20 10 CGCDHM CN(CCOCc1ccccc1)Cc1cccc(F)c1[O-] ZINC000272419472 378633368 /nfs/dbraw/zinc/63/33/68/378633368.db2.gz LTRTXRPTSFLYNK-UHFFFAOYSA-N -1 3 289.350 3.180 20 10 CGCDHM CCc1nnc([C@H](C)N[C@H](C)c2cc(Cl)ccc2[O-])[nH]1 ZINC000273524555 378752014 /nfs/dbraw/zinc/75/20/14/378752014.db2.gz UXSIALQTKDJNAQ-BDAKNGLRSA-N -1 3 294.786 3.138 20 10 CGCDHM Cc1nnc([C@H](C)N[C@@H](C)c2ccc(C)cc2[O-])s1 ZINC000274122030 378780234 /nfs/dbraw/zinc/78/02/34/378780234.db2.gz AUEXTJBDHWPSKA-UWVGGRQHSA-N -1 3 277.393 3.272 20 10 CGCDHM CC[C@@H](NCc1cc(C)no1)c1ccc(F)cc1[O-] ZINC000286034402 380158630 /nfs/dbraw/zinc/15/86/30/380158630.db2.gz KGUBZIOSNOPGKY-CYBMUJFWSA-N -1 3 264.300 3.069 20 10 CGCDHM Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)c([O-])c1O ZINC000179416912 392700503 /nfs/dbraw/zinc/70/05/03/392700503.db2.gz IXVDYMAXWAAJED-GXFFZTMASA-N -1 3 277.364 3.057 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1cnn(CC(F)F)c1 ZINC000157430352 261145641 /nfs/dbraw/zinc/14/56/41/261145641.db2.gz QCNSZACCZBQNGT-UHFFFAOYSA-N -1 3 287.697 3.119 20 10 CGCDHM C[C@@H](N[C@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000169520484 261433767 /nfs/dbraw/zinc/43/37/67/261433767.db2.gz AOCYTOVTKNCQLT-IAQYHMDHSA-N -1 3 291.778 3.430 20 10 CGCDHM CCc1cnc(CN[C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000185584201 262305900 /nfs/dbraw/zinc/30/59/00/262305900.db2.gz XBKXSPJFTQTQDN-VIFPVBQESA-N -1 3 280.368 3.401 20 10 CGCDHM CCn1ccnc1[C@H]1CCCCN1Cc1ccccc1[O-] ZINC000281228445 263067318 /nfs/dbraw/zinc/06/73/18/263067318.db2.gz VNXDZURKQXBBBK-OAHLLOKOSA-N -1 3 285.391 3.336 20 10 CGCDHM CC(C)C[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000193133033 279206681 /nfs/dbraw/zinc/20/66/81/279206681.db2.gz XJHOALGJBVHAET-GFCCVEGCSA-N -1 3 277.364 3.139 20 10 CGCDHM CC[C@@H](N[C@@H](C)c1nnc(C)s1)c1ccccc1[O-] ZINC000274793722 328010915 /nfs/dbraw/zinc/01/09/15/328010915.db2.gz SOXBSBKMEYFEHX-JOYOIKCWSA-N -1 3 277.393 3.354 20 10 CGCDHM O=[N+]([O-])c1ccc([O-])c(CNC2(c3ccccc3)CCC2)c1 ZINC000101596420 527369352 /nfs/dbraw/zinc/36/93/52/527369352.db2.gz YLVMJIHQEULNHA-UHFFFAOYSA-N -1 3 298.342 3.469 20 10 CGCDHM Cc1occc1CNCc1cc(Br)ccc1[O-] ZINC000725849185 572442097 /nfs/dbraw/zinc/44/20/97/572442097.db2.gz VCLHCRVVYFTLAA-UHFFFAOYSA-N -1 3 296.164 3.346 20 10 CGCDHM C[C@@H](CN(C)C(=O)c1cc([O-])cs1)c1ccccc1 ZINC000732283675 572458245 /nfs/dbraw/zinc/45/82/45/572458245.db2.gz BAYSVOKKWAPMKJ-NSHDSACASA-N -1 3 275.373 3.329 20 10 CGCDHM O=C(OCCOc1cccc(Cl)c1)c1cc([O-])cs1 ZINC000732354579 572461435 /nfs/dbraw/zinc/46/14/35/572461435.db2.gz WFYVOUCHCWSVMS-UHFFFAOYSA-N -1 3 298.747 3.343 20 10 CGCDHM C[C@H](OC(=O)c1cc([O-])cs1)c1cccc([N+](=O)[O-])c1 ZINC000732354904 572461461 /nfs/dbraw/zinc/46/14/61/572461461.db2.gz VYABRQYDZPWMCS-QMMMGPOBSA-N -1 3 293.300 3.280 20 10 CGCDHM CC[C@]1(C)CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000743756051 572681853 /nfs/dbraw/zinc/68/18/53/572681853.db2.gz CSOVUPKQIGICIK-CYBMUJFWSA-N -1 3 253.367 3.106 20 10 CGCDHM CCc1ccc(COC(=O)c2cc([O-])cs2)cc1 ZINC000735351312 572716708 /nfs/dbraw/zinc/71/67/08/572716708.db2.gz YPTOGAVIVLMBBI-UHFFFAOYSA-N -1 3 262.330 3.373 20 10 CGCDHM CCO[C@@H](CCNC(=O)c1cc([O-])cs1)C1CCCC1 ZINC000746893531 572900081 /nfs/dbraw/zinc/90/00/81/572900081.db2.gz CEKNRRYDLDYBLC-ZDUSSCGKSA-N -1 3 297.420 3.169 20 10 CGCDHM C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000748857458 572986874 /nfs/dbraw/zinc/98/68/74/572986874.db2.gz ASBPOQKEAQGDCX-ONGXEEELSA-N -1 3 267.394 3.398 20 10 CGCDHM CC(C)[N@H+](CCC(=O)[O-])Cc1c([O-])ccc2ccccc21 ZINC000086748192 600608486 /nfs/dbraw/zinc/60/84/86/600608486.db2.gz ZIYUENMFSDXOAR-UHFFFAOYSA-N -1 3 287.359 3.231 20 10 CGCDHM CC(C)[N@@H+](CCC(=O)[O-])Cc1c([O-])ccc2ccccc21 ZINC000086748192 600608487 /nfs/dbraw/zinc/60/84/87/600608487.db2.gz ZIYUENMFSDXOAR-UHFFFAOYSA-N -1 3 287.359 3.231 20 10 CGCDHM Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(F)c1 ZINC000179397995 618781773 /nfs/dbraw/zinc/78/17/73/618781773.db2.gz RXYYGMDCNYJFGV-UHFFFAOYSA-N -1 3 275.279 3.106 20 10 CGCDHM CC[C@H](C)[C@H](C)N(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000188423337 619085359 /nfs/dbraw/zinc/08/53/59/619085359.db2.gz CKIXLHLSWBOIHK-QWRGUYRKSA-N -1 3 277.364 3.137 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCCC2(CC2)C1 ZINC000897763141 620424973 /nfs/dbraw/zinc/42/49/73/620424973.db2.gz ULUYFOCVZUKZLE-NSHDSACASA-N -1 3 292.354 3.053 20 10 CGCDHM Cc1cc(C)c(NC(=O)c2cccc(O)c2[O-])c(C)c1 ZINC000126197765 624222289 /nfs/dbraw/zinc/22/22/89/624222289.db2.gz BWDBSUYTPWMBLF-UHFFFAOYSA-N -1 3 271.316 3.275 20 10 CGCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)c([O-])c1O ZINC000751534540 626394844 /nfs/dbraw/zinc/39/48/44/626394844.db2.gz ZKUFRVOJYPXQEK-UHFFFAOYSA-N -1 3 283.327 3.147 20 10 CGCDHM Cc1cccc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756442435 626706133 /nfs/dbraw/zinc/70/61/33/626706133.db2.gz POWIXIKDBWDDOC-JTQLQIEISA-N -1 3 278.302 3.225 20 10 CGCDHM C[C@@H](CC1CCCCC1)NC(=O)c1cccc(O)c1[O-] ZINC000773756686 627911403 /nfs/dbraw/zinc/91/14/03/627911403.db2.gz XDFBLWVLIOMVBQ-NSHDSACASA-N -1 3 277.364 3.187 20 10 CGCDHM Cc1cccc(C(C)(C)NC(=O)c2cccc(O)c2[O-])c1 ZINC000776658850 628224548 /nfs/dbraw/zinc/22/45/48/628224548.db2.gz WYQDVMDITFQXIZ-UHFFFAOYSA-N -1 3 285.343 3.071 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCc2ncsc2C1 ZINC000783744791 628744252 /nfs/dbraw/zinc/74/42/52/628744252.db2.gz ILSYMDIDWLJFJU-UHFFFAOYSA-N -1 3 280.780 3.060 20 10 CGCDHM Cc1cccc([C@@H](C)NC(=O)c2cccc(O)c2[O-])c1C ZINC000790727425 629226884 /nfs/dbraw/zinc/22/68/84/629226884.db2.gz VHNBZFQZFXVDDP-GFCCVEGCSA-N -1 3 285.343 3.206 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccc(F)cn1 ZINC000790977427 629245378 /nfs/dbraw/zinc/24/53/78/629245378.db2.gz LSJUVNLZUDFETK-UHFFFAOYSA-N -1 3 284.693 3.009 20 10 CGCDHM Cc1ccncc1CN(C)Cc1cccc(Cl)c1[O-] ZINC000793335904 629445140 /nfs/dbraw/zinc/44/51/40/629445140.db2.gz IZEHHYICNBZEHT-UHFFFAOYSA-N -1 3 276.767 3.381 20 10 CGCDHM [O-]c1c(CN2CCC[C@@H](OC3CCC3)C2)ccc(F)c1F ZINC000864049631 629741349 /nfs/dbraw/zinc/74/13/49/629741349.db2.gz JWQHLGONDGQGGA-CYBMUJFWSA-N -1 3 297.345 3.204 20 10 CGCDHM CN(Cc1cscn1)Cc1cc(Cl)ccc1[O-] ZINC000120226436 629903401 /nfs/dbraw/zinc/90/34/01/629903401.db2.gz ZZSMAWUDMDVXOU-UHFFFAOYSA-N -1 3 268.769 3.134 20 10 CGCDHM CC1=C[C@H](C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000797605253 629970070 /nfs/dbraw/zinc/97/00/70/629970070.db2.gz OHXCKYPGCFDORV-VIFPVBQESA-N -1 3 296.754 3.352 20 10 CGCDHM CC1=CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000798089978 630022131 /nfs/dbraw/zinc/02/21/31/630022131.db2.gz CTFIABKCTQLSDY-UHFFFAOYSA-N -1 3 282.181 3.307 20 10 CGCDHM CC[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000798965472 630132435 /nfs/dbraw/zinc/13/24/35/630132435.db2.gz YBDKOJUHNIWMKB-SNVBAGLBSA-N -1 3 287.762 3.186 20 10 CGCDHM CC1(C)CCN(C(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000811549933 631086943 /nfs/dbraw/zinc/08/69/43/631086943.db2.gz AGJNHCITLPMNBY-UHFFFAOYSA-N -1 3 297.354 3.426 20 10 CGCDHM CCC(CC)(C[NH2+]Cc1cc(Cl)cc(C)c1[O-])C(=O)[O-] ZINC000818630007 632343289 /nfs/dbraw/zinc/34/32/89/632343289.db2.gz UWMDIRCYIRBXGE-UHFFFAOYSA-N -1 3 299.798 3.335 20 10 CGCDHM CO[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C[C@@H]1C ZINC000824815448 633295295 /nfs/dbraw/zinc/29/52/95/633295295.db2.gz PHADIHVQVBZQIB-TVQRCGJNSA-N -1 3 287.762 3.042 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CC2(CCC2)[C@@H]1c1ccco1 ZINC000837015849 634842764 /nfs/dbraw/zinc/84/27/64/634842764.db2.gz OULJZPXTKMCKRU-HNNXBMFYSA-N -1 3 299.326 3.058 20 10 CGCDHM O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC000126202363 634918750 /nfs/dbraw/zinc/91/87/50/634918750.db2.gz DRDRDZYMGOKNSW-UHFFFAOYSA-N -1 3 297.232 3.369 20 10 CGCDHM CC(C)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000126241055 634933480 /nfs/dbraw/zinc/93/34/80/634933480.db2.gz NXEQCGKBGOVEHV-UHFFFAOYSA-N -1 3 271.316 3.474 20 10 CGCDHM CCCCCC[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126305612 634957331 /nfs/dbraw/zinc/95/73/31/634957331.db2.gz HFEJRLIRAJBPAV-NSHDSACASA-N -1 3 265.353 3.187 20 10 CGCDHM Cc1nnc(CN[C@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841753694 635226879 /nfs/dbraw/zinc/22/68/79/635226879.db2.gz NHOGPABUZJJAPP-SSDOTTSWSA-N -1 3 283.784 3.056 20 10 CGCDHM CC[C@H](N[C@H](C)c1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000842926306 635513432 /nfs/dbraw/zinc/51/34/32/635513432.db2.gz VONIQYIMNYCONM-MFKMUULPSA-N -1 3 297.370 3.302 20 10 CGCDHM Cc1noc(C)c1C(C)(C)NCc1cc(F)cc(F)c1[O-] ZINC000883119268 636545258 /nfs/dbraw/zinc/54/52/58/636545258.db2.gz TXDDWTDEQQUXFS-UHFFFAOYSA-N -1 3 296.317 3.300 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ccccn1)c1c([O-])cccc1F ZINC000886489448 637539270 /nfs/dbraw/zinc/53/92/70/637539270.db2.gz IXNGJDJZTPJOFI-WDEREUQCSA-N -1 3 260.312 3.338 20 10 CGCDHM Cc1cc(Cl)cc(C[N@H+](CC(=O)[O-])CC(C)(C)C)c1[O-] ZINC000854244193 638031907 /nfs/dbraw/zinc/03/19/07/638031907.db2.gz UCVNFUMLYOFKPX-UHFFFAOYSA-N -1 3 299.798 3.287 20 10 CGCDHM Cc1cc(Cl)cc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1[O-] ZINC000854244193 638031909 /nfs/dbraw/zinc/03/19/09/638031909.db2.gz UCVNFUMLYOFKPX-UHFFFAOYSA-N -1 3 299.798 3.287 20 10 CGCDHM CCCC1(C(=O)NCc2c([O-])cccc2F)CCC1 ZINC000928705666 638889250 /nfs/dbraw/zinc/88/92/50/638889250.db2.gz MQPNRGWBRVYROY-UHFFFAOYSA-N -1 3 265.328 3.118 20 10 CGCDHM Cc1cccc(-c2nnc(-c3cccc(O)c3[O-])o2)c1 ZINC001253613317 806273664 /nfs/dbraw/zinc/27/36/64/806273664.db2.gz YKJLAJVJGQDECT-UHFFFAOYSA-N -1 3 268.272 3.123 20 10 CGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CC2CCC1CC2 ZINC000381561217 799380899 /nfs/dbraw/zinc/38/08/99/799380899.db2.gz WMHLLBZULCIWDK-DLOFLVKXSA-N -1 3 289.375 3.042 20 10 CGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@H](F)C1 ZINC000701673807 799893021 /nfs/dbraw/zinc/89/30/21/799893021.db2.gz MGBVPCLTCDBHNS-NSHDSACASA-N -1 3 288.160 3.089 20 10 CGCDHM Cc1cc2c(ncnc2NCc2c([O-])cccc2F)s1 ZINC001164185290 806910711 /nfs/dbraw/zinc/91/07/11/806910711.db2.gz APMCQLIUZSOYSC-UHFFFAOYSA-N -1 3 289.335 3.457 20 10 CGCDHM CN(Cc1cccc(F)c1)Cc1c([O-])cccc1F ZINC001137831591 803777673 /nfs/dbraw/zinc/77/76/73/803777673.db2.gz GSTPPRJUZMAAOX-UHFFFAOYSA-N -1 3 263.287 3.302 20 10 CGCDHM COc1cccc2c1CCN(Cc1c([O-])cccc1F)C2 ZINC001137840405 803781308 /nfs/dbraw/zinc/78/13/08/803781308.db2.gz ZLEUOYTYVGNHAD-UHFFFAOYSA-N -1 3 287.334 3.098 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001138123609 803863225 /nfs/dbraw/zinc/86/32/25/803863225.db2.gz CDYJPHCRFMVKEO-NSHDSACASA-N -1 3 277.261 3.101 20 10 CGCDHM [O-]c1ccc(F)cc1CN1Cc2cnc(Cl)cc2C1 ZINC001140055901 804362621 /nfs/dbraw/zinc/36/26/21/804362621.db2.gz AHLPSTXEMURLAX-UHFFFAOYSA-N -1 3 278.714 3.096 20 10 CGCDHM [O-]c1ccc(F)cc1CN1Cc2cccc(F)c2C1 ZINC001140055266 804363244 /nfs/dbraw/zinc/36/32/44/804363244.db2.gz PPPPXXZXVDIEFE-UHFFFAOYSA-N -1 3 261.271 3.186 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CC2(C1)C[C@@H](F)CS2 ZINC001140342063 804420782 /nfs/dbraw/zinc/42/07/82/804420782.db2.gz RMSSJYBRBNCCOF-SECBINFHSA-N -1 3 287.787 3.075 20 10 CGCDHM CCN(CC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1[O-] ZINC001140465678 804443806 /nfs/dbraw/zinc/44/38/06/804443806.db2.gz QSKXUZOYRDVWLY-UHFFFAOYSA-N -1 3 299.798 3.209 20 10 CGCDHM CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC001142066558 804693794 /nfs/dbraw/zinc/69/37/94/804693794.db2.gz UFSZGBBKNDJSJU-RYUDHWBXSA-N -1 3 277.364 3.042 20 10 CGCDHM COc1ccccc1CN(C)Cc1cc(F)c(F)cc1[O-] ZINC001142521069 804731454 /nfs/dbraw/zinc/73/14/54/804731454.db2.gz WJYAKUBWJHJLPE-UHFFFAOYSA-N -1 3 293.313 3.311 20 10 CGCDHM CSc1ccc(CNCc2c([O-])cccc2F)o1 ZINC001183919809 810169530 /nfs/dbraw/zinc/16/95/30/810169530.db2.gz QLABVCRVDAYOME-UHFFFAOYSA-N -1 3 267.325 3.136 20 10 CGCDHM COc1ccc(-c2noc(-c3cccc(O)c3[O-])n2)c(C)c1 ZINC001215145906 815489025 /nfs/dbraw/zinc/48/90/25/815489025.db2.gz QHUDMCNALMJPJC-UHFFFAOYSA-N -1 3 298.298 3.132 20 10 CGCDHM CN(Cc1ccccc1F)Cc1cc(F)cc(F)c1[O-] ZINC001204713702 812714661 /nfs/dbraw/zinc/71/46/61/812714661.db2.gz GIYOCNGPYZBSCL-UHFFFAOYSA-N -1 3 281.277 3.442 20 10 CGCDHM Cc1cc([O-])c(CN[C@@H](C)C(=O)OCC(C)C)cc1Cl ZINC001207209884 813516131 /nfs/dbraw/zinc/51/61/31/813516131.db2.gz SGKNNJKJFVLHSN-NSHDSACASA-N -1 3 299.798 3.031 20 10 CGCDHM [O-]c1c(Cl)cccc1Nc1cccc(O)c1O ZINC001210222231 814347913 /nfs/dbraw/zinc/34/79/13/814347913.db2.gz WCEGYDRXLBUPPD-UHFFFAOYSA-N -1 3 251.669 3.200 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001233331880 818582651 /nfs/dbraw/zinc/58/26/51/818582651.db2.gz ONWIQIAWAGZNCZ-LLVKDONJSA-N -1 3 295.251 3.240 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237804797 819843832 /nfs/dbraw/zinc/84/38/32/819843832.db2.gz GUKZKQXHRXVSBI-JWYUURKGSA-N -1 3 273.710 3.117 20 10 CGCDHM CN(Cc1cc(F)cc(Cl)c1[O-])C1CC(F)(F)C1 ZINC001237804795 819843981 /nfs/dbraw/zinc/84/39/81/819843981.db2.gz GWTKVSNXZHXKEG-UHFFFAOYSA-N -1 3 279.689 3.414 20 10 CGCDHM C[C@H](c1ccncc1)N(C)Cc1cc(F)c(F)cc1[O-] ZINC001560745269 937237225 /nfs/dbraw/zinc/23/72/25/937237225.db2.gz IVYAYLUTDFJQDB-SNVBAGLBSA-N -1 3 278.302 3.258 20 10 CGCDHM Cc1cc(OC2CC2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229543054 932169862 /nfs/dbraw/zinc/16/98/62/932169862.db2.gz UYUFVVBRRBARSJ-UHFFFAOYSA-N -1 3 294.306 3.017 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCOCC12CCCCC2 ZINC001308764158 933172773 /nfs/dbraw/zinc/17/27/73/933172773.db2.gz FDIOGAMBWONWJC-UHFFFAOYSA-N -1 3 297.345 3.206 20 10 CGCDHM CC(C)=CCC[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001478673880 937909027 /nfs/dbraw/zinc/90/90/27/937909027.db2.gz HDQFDLNOEYLZPA-GFCCVEGCSA-N -1 3 294.370 3.465 20 10 CGCDHM C[C@@H](CC1CCCC1)C(=O)NCc1c([O-])cccc1F ZINC001558454215 938215473 /nfs/dbraw/zinc/21/54/73/938215473.db2.gz BSNDQFBMAQBEKY-NSHDSACASA-N -1 3 279.355 3.364 20 10 CGCDHM CC1(C)CN(Cc2cc(F)c(F)cc2[O-])C1(C)C ZINC001560687673 938270391 /nfs/dbraw/zinc/27/03/91/938270391.db2.gz NPEBDSMDBNYYHY-UHFFFAOYSA-N -1 3 255.308 3.291 20 10 CGCDHM CCC[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])[C@H](C)CC ZINC001595891613 982927573 /nfs/dbraw/zinc/92/75/73/982927573.db2.gz WJUQXVCCMIGEER-IUODEOHRSA-N -1 3 279.380 3.104 20 10 CGCDHM CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])[C@H](C)CC ZINC001595891613 982927576 /nfs/dbraw/zinc/92/75/76/982927576.db2.gz WJUQXVCCMIGEER-IUODEOHRSA-N -1 3 279.380 3.104 20 10 CGCDHM C[C@H]([NH2+]Cc1cccs1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593305623 994765971 /nfs/dbraw/zinc/76/59/71/994765971.db2.gz YPYMJNFAPFIPPT-VIFPVBQESA-N -1 3 277.345 3.003 20 10 CGCDHM CCCN(Cc1ccccc1[O-])Cc1cc(F)ncc1F ZINC000294668342 372665777 /nfs/dbraw/zinc/66/57/77/372665777.db2.gz CNFCTEHXNDSPDM-UHFFFAOYSA-N -1 3 292.329 3.478 20 10 CGCDHM Cc1ccc(C(=O)N(CC(C)C)CC(C)C)c([O-])c1O ZINC000182436650 374272239 /nfs/dbraw/zinc/27/22/39/374272239.db2.gz YPACZHRPYWBVEW-UHFFFAOYSA-N -1 3 279.380 3.160 20 10 CGCDHM Cc1cc(Cl)cc(CN[C@H](CCO)c2ccco2)c1[O-] ZINC000187528749 375035263 /nfs/dbraw/zinc/03/52/63/375035263.db2.gz GJOGCJGCEMWJRR-CYBMUJFWSA-N -1 3 295.766 3.160 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCS[C@@H](C)CC2)c1[O-] ZINC000192172100 375706233 /nfs/dbraw/zinc/70/62/33/375706233.db2.gz LPLGBOXKYLYOLP-JTQLQIEISA-N -1 3 297.395 3.061 20 10 CGCDHM O=C(NCc1ccc2cccnc2c1[O-])[C@@H]1CCCC12CC2 ZINC000529500682 375926083 /nfs/dbraw/zinc/92/60/83/375926083.db2.gz HSJPELLNSMWBTK-AWEZNQCLSA-N -1 3 296.370 3.137 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCc2ccsc2C1 ZINC000272311622 378610844 /nfs/dbraw/zinc/61/08/44/378610844.db2.gz RPKPJYBWGNKDTO-UHFFFAOYSA-N -1 3 263.337 3.151 20 10 CGCDHM Cc1cc([C@H]2CCCN2Cc2cccc(F)c2[O-])no1 ZINC000371532834 379168482 /nfs/dbraw/zinc/16/84/82/379168482.db2.gz BGCMTMQNECAGLH-CQSZACIVSA-N -1 3 276.311 3.165 20 10 CGCDHM Cc1c2ccccc2n(C)c1C[N-]c1nc(C2CC2)no1 ZINC000281323809 379829853 /nfs/dbraw/zinc/82/98/53/379829853.db2.gz ACWOUACGKHXJPX-UHFFFAOYSA-N -1 3 282.347 3.359 20 10 CGCDHM Cc1cc(C)c(CNC(=O)c2cc([O-])cs2)c(C)c1 ZINC000732269818 572456039 /nfs/dbraw/zinc/45/60/39/572456039.db2.gz VAJPVJXMLOCPMC-UHFFFAOYSA-N -1 3 275.373 3.309 20 10 CGCDHM COc1cc(Cl)cc(CNCc2nc(C)cs2)c1[O-] ZINC000228670728 393020472 /nfs/dbraw/zinc/02/04/72/393020472.db2.gz JQKSJSJQQYIOBN-UHFFFAOYSA-N -1 3 298.795 3.109 20 10 CGCDHM C[C@H](N[C@@H](CCO)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000186558616 262099150 /nfs/dbraw/zinc/09/91/50/262099150.db2.gz CRPWLENWWKRMGF-GWCFXTLKSA-N -1 3 295.766 3.413 20 10 CGCDHM CCc1nc(C)c(CN[C@@H](C)c2cc(F)ccc2[O-])o1 ZINC000291855749 328124836 /nfs/dbraw/zinc/12/48/36/328124836.db2.gz HDYQXHKPBLKYCU-VIFPVBQESA-N -1 3 278.327 3.241 20 10 CGCDHM CCc1cnc(CNCc2c([O-])cccc2Cl)s1 ZINC000230706841 329372079 /nfs/dbraw/zinc/37/20/79/329372079.db2.gz DKKCEVNUPDVZDU-UHFFFAOYSA-N -1 3 282.796 3.354 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2CCCSCC2)c1[O-] ZINC000050157659 518278013 /nfs/dbraw/zinc/27/80/13/518278013.db2.gz ORPKJSZYYBLKPS-UHFFFAOYSA-N -1 3 299.823 3.187 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCC=C(c2ccco2)C1 ZINC000289592366 526329025 /nfs/dbraw/zinc/32/90/25/526329025.db2.gz UPSMLQIIIBHQTK-UHFFFAOYSA-N -1 3 273.307 3.414 20 10 CGCDHM [O-]c1c(F)cccc1CNCc1ccc2c(n1)CCCC2 ZINC000278575161 526330472 /nfs/dbraw/zinc/33/04/72/526330472.db2.gz CMVYSZAOVUFXAI-UHFFFAOYSA-N -1 3 286.350 3.095 20 10 CGCDHM Cn1cc(NCc2c([O-])cccc2Cl)c(C2CC2)n1 ZINC000291280927 527275013 /nfs/dbraw/zinc/27/50/13/527275013.db2.gz OQYFRWPMMZPKAI-UHFFFAOYSA-N -1 3 277.755 3.269 20 10 CGCDHM CSc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000731864065 572430365 /nfs/dbraw/zinc/43/03/65/572430365.db2.gz NEVCONDARZONCQ-UHFFFAOYSA-N -1 3 265.359 3.428 20 10 CGCDHM C[C@H](CN(C)C(=O)c1cc([O-])cs1)c1ccccc1 ZINC000732283674 572458144 /nfs/dbraw/zinc/45/81/44/572458144.db2.gz BAYSVOKKWAPMKJ-LLVKDONJSA-N -1 3 275.373 3.329 20 10 CGCDHM O=C(N[C@H]1CCc2ccc(F)cc21)c1cc([O-])cs1 ZINC000732289381 572459100 /nfs/dbraw/zinc/45/91/00/572459100.db2.gz ONKVGKRNWKOFJG-LBPRGKRZSA-N -1 3 277.320 3.010 20 10 CGCDHM O=C(Nc1cc(C2CCCCC2)[nH]n1)c1cc([O-])cs1 ZINC000743456820 572663640 /nfs/dbraw/zinc/66/36/40/572663640.db2.gz MHYVBEHNKSCBFN-UHFFFAOYSA-N -1 3 291.376 3.477 20 10 CGCDHM C[C@@H](NC(=O)c1cc([O-])cs1)[C@H](C)c1ccccc1 ZINC000746896005 572899358 /nfs/dbraw/zinc/89/93/58/572899358.db2.gz KOYYIGRWHPGFCI-WDEREUQCSA-N -1 3 275.373 3.376 20 10 CGCDHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000746896003 572899403 /nfs/dbraw/zinc/89/94/03/572899403.db2.gz KOYYIGRWHPGFCI-QWRGUYRKSA-N -1 3 275.373 3.376 20 10 CGCDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H]1c1ccccc1 ZINC000899376017 620672286 /nfs/dbraw/zinc/67/22/86/620672286.db2.gz NXTBRRQLXAYHMI-LRDDRELGSA-N -1 3 297.354 3.321 20 10 CGCDHM CC(C)N(Cc1ccccn1)Cc1cc(F)cc(F)c1[O-] ZINC000893967443 619341897 /nfs/dbraw/zinc/34/18/97/619341897.db2.gz LRFQBMXKUJURBI-UHFFFAOYSA-N -1 3 292.329 3.476 20 10 CGCDHM C[C@@H](c1ccccn1)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894424194 619530433 /nfs/dbraw/zinc/53/04/33/619530433.db2.gz WTTNIMPFLPFWPR-JTQLQIEISA-N -1 3 278.302 3.258 20 10 CGCDHM CCc1nc(CN[C@@H](C)c2ccc(F)cc2[O-])cs1 ZINC000185397103 625355336 /nfs/dbraw/zinc/35/53/36/625355336.db2.gz QIUBHOUECXNZMD-VIFPVBQESA-N -1 3 280.368 3.401 20 10 CGCDHM Cc1ccc(C(=O)N2C[C@H](C)c3ccccc32)c([O-])c1O ZINC000182056224 624936416 /nfs/dbraw/zinc/93/64/16/624936416.db2.gz LUMUANQQZKAGBB-NSHDSACASA-N -1 3 283.327 3.170 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN[C@H]1CCCc2cccnc21 ZINC000922885978 626064626 /nfs/dbraw/zinc/06/46/26/626064626.db2.gz CDQYBYIBROXCLW-AWEZNQCLSA-N -1 3 290.313 3.233 20 10 CGCDHM Cc1nnc(CN[C@@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000757638565 626796356 /nfs/dbraw/zinc/79/63/56/626796356.db2.gz LZZCVLYVTPHGOM-ZETCQYMHSA-N -1 3 283.784 3.056 20 10 CGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2C3CCC2CC3)c1[O-] ZINC000768228875 627469436 /nfs/dbraw/zinc/46/94/36/627469436.db2.gz LCGUMTNXVPXUHM-UHFFFAOYSA-N -1 3 282.727 3.081 20 10 CGCDHM C[C@H](NCc1cc[nH]n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774170413 627955733 /nfs/dbraw/zinc/95/57/33/627955733.db2.gz DCDURXOYRNQPOD-ZETCQYMHSA-N -1 3 286.162 3.273 20 10 CGCDHM CC[C@H](NCc1cocn1)c1cc(Cl)ccc1[O-] ZINC000775538117 628104932 /nfs/dbraw/zinc/10/49/32/628104932.db2.gz ULKWASHLYXXPQE-LBPRGKRZSA-N -1 3 266.728 3.275 20 10 CGCDHM CCCc1nnc(NCc2c([O-])cccc2Cl)s1 ZINC000777508873 628276550 /nfs/dbraw/zinc/27/65/50/628276550.db2.gz UHOYVNFEAPMMHH-UHFFFAOYSA-N -1 3 283.784 3.462 20 10 CGCDHM CC[C@@]1(O)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000779215527 628394841 /nfs/dbraw/zinc/39/48/41/628394841.db2.gz AOXBPUQPRBCEDU-CYBMUJFWSA-N -1 3 290.190 3.046 20 10 CGCDHM Cc1ccc(N(C)C(=O)c2ccc(C)c(O)c2[O-])cc1C ZINC000780903487 628523367 /nfs/dbraw/zinc/52/33/67/628523367.db2.gz KBNVQWLCLNTPRG-UHFFFAOYSA-N -1 3 285.343 3.300 20 10 CGCDHM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1cccc(O)c1[O-] ZINC000790486687 629212816 /nfs/dbraw/zinc/21/28/16/629212816.db2.gz YVALBJFKUHZSPI-FRRDWIJNSA-N -1 3 289.375 3.187 20 10 CGCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H]2CCCC[C@@H]12 ZINC000790861895 629238296 /nfs/dbraw/zinc/23/82/96/629238296.db2.gz NOOMNADBZKEVLR-MBNYWOFBSA-N -1 3 289.375 3.139 20 10 CGCDHM Cc1cc(NCc2c([O-])cccc2Cl)ccc1C(N)=O ZINC000798085199 630021204 /nfs/dbraw/zinc/02/12/04/630021204.db2.gz LXBLODPAQIPISD-UHFFFAOYSA-N -1 3 290.750 3.065 20 10 CGCDHM C[C@@H]1C[C@@H]1c1nnc(NCc2c([O-])cccc2Cl)o1 ZINC000865295727 630057794 /nfs/dbraw/zinc/05/77/94/630057794.db2.gz KOPFAEZFMVXRSG-SFYZADRCSA-N -1 3 279.727 3.164 20 10 CGCDHM Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000817880837 632229124 /nfs/dbraw/zinc/22/91/24/632229124.db2.gz JREJPLNTUVQXTJ-QWRGUYRKSA-N -1 3 297.782 3.039 20 10 CGCDHM Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000817880837 632229126 /nfs/dbraw/zinc/22/91/26/632229126.db2.gz JREJPLNTUVQXTJ-QWRGUYRKSA-N -1 3 297.782 3.039 20 10 CGCDHM CO[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1C ZINC000824815446 633295232 /nfs/dbraw/zinc/29/52/32/633295232.db2.gz PHADIHVQVBZQIB-NOZJJQNGSA-N -1 3 287.762 3.042 20 10 CGCDHM CCCc1ncc(CNCc2c([O-])cccc2Cl)o1 ZINC000825086879 633327065 /nfs/dbraw/zinc/32/70/65/633327065.db2.gz WHLIFMIBMYIGIU-UHFFFAOYSA-N -1 3 280.755 3.276 20 10 CGCDHM CCN(Cc1cc(Cl)c(C)cc1[O-])CC(F)F ZINC000825504898 633359994 /nfs/dbraw/zinc/35/99/94/633359994.db2.gz LTOYEUAFJSVHNA-UHFFFAOYSA-N -1 3 263.715 3.441 20 10 CGCDHM CC[C@H](NCc1nn(C)cc1Cl)c1ccc(F)cc1[O-] ZINC000834881774 634264569 /nfs/dbraw/zinc/26/45/69/634264569.db2.gz AMYHEMXZPMVVQV-LBPRGKRZSA-N -1 3 297.761 3.159 20 10 CGCDHM CC(C)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000126361457 635002348 /nfs/dbraw/zinc/00/23/48/635002348.db2.gz HCRLADTTYIVGQB-UHFFFAOYSA-N -1 3 285.343 3.151 20 10 CGCDHM Cc1cc([O-])c(CN2CC(C(F)F)C2)c(Cl)c1 ZINC000840953752 635092425 /nfs/dbraw/zinc/09/24/25/635092425.db2.gz YPFQPDCTZGWEKT-UHFFFAOYSA-N -1 3 261.699 3.051 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN[C@H]1COCc2ccccc21 ZINC000883146845 636556323 /nfs/dbraw/zinc/55/63/23/636556323.db2.gz BABPQCBKZQYEMO-HNNXBMFYSA-N -1 3 291.297 3.032 20 10 CGCDHM C[C@H](NC1(c2ncccn2)CCC1)c1cc(F)ccc1[O-] ZINC000883311674 636662260 /nfs/dbraw/zinc/66/22/60/636662260.db2.gz ITWOBMLTNAWYJS-NSHDSACASA-N -1 3 287.338 3.051 20 10 CGCDHM CC[C@H]1CO[C@H](C)CN1Cc1cc(Cl)ccc1[O-] ZINC000131482326 636666528 /nfs/dbraw/zinc/66/65/28/636666528.db2.gz MEBLWDZYHGNHGP-MFKMUULPSA-N -1 3 269.772 3.045 20 10 CGCDHM CC[C@H]1CO[C@H](C)CN1Cc1c([O-])cccc1Cl ZINC000131501303 636670719 /nfs/dbraw/zinc/67/07/19/636670719.db2.gz JNBRIRGVTBBWHP-MNOVXSKESA-N -1 3 269.772 3.045 20 10 CGCDHM Cc1cc(=O)[n-]c([C@H](C)Sc2ncc(Cl)s2)n1 ZINC000850000329 636924951 /nfs/dbraw/zinc/92/49/51/636924951.db2.gz QJYVFVHQQYRWPY-LURJTMIESA-N -1 3 287.797 3.454 20 10 CGCDHM CC[C@H](N[C@@H](C)c1nccn1C)c1ccc(F)cc1[O-] ZINC000850571870 637128781 /nfs/dbraw/zinc/12/87/81/637128781.db2.gz DGTIKSVVNLAJED-GWCFXTLKSA-N -1 3 277.343 3.067 20 10 CGCDHM C[S@@](=O)(=NC(=O)c1cc([O-])cs1)C1CCCCC1 ZINC000926033138 638681358 /nfs/dbraw/zinc/68/13/58/638681358.db2.gz VDUIJSONGWYYEC-SFHVURJKSA-N -1 3 287.406 3.024 20 10 CGCDHM CC(C)(C)SCCCC(=O)NCc1c([O-])cccc1F ZINC000928704527 638888896 /nfs/dbraw/zinc/88/88/96/638888896.db2.gz AXGAPMMSSKCFGK-UHFFFAOYSA-N -1 3 299.411 3.459 20 10 CGCDHM O=C(/C=C/C=C(Cl)Cl)NCc1c([O-])cccc1F ZINC001156170141 805661949 /nfs/dbraw/zinc/66/19/49/805661949.db2.gz HRWLYJGYJCGCAP-QHHAFSJGSA-N -1 3 290.121 3.023 20 10 CGCDHM CC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])[C@H](C)CO1 ZINC000403863333 799572531 /nfs/dbraw/zinc/57/25/31/799572531.db2.gz ZXHZBJGGLWCBMZ-ZWNOBZJWSA-N -1 3 269.772 3.045 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(F)CC2)c1[O-] ZINC000689884919 799770236 /nfs/dbraw/zinc/77/02/36/799770236.db2.gz KAGGHYXBVXDTCX-UHFFFAOYSA-N -1 3 285.746 3.182 20 10 CGCDHM C[C@H](NCc1cc(Cl)ccc1[O-])c1cscn1 ZINC000697917462 799851685 /nfs/dbraw/zinc/85/16/85/799851685.db2.gz NRMKJRGBJWMSHK-QMMMGPOBSA-N -1 3 268.769 3.353 20 10 CGCDHM CC(C)c1nc(CNCc2c([O-])cccc2F)cs1 ZINC001120065315 802732323 /nfs/dbraw/zinc/73/23/23/802732323.db2.gz PKOHGMXICDOBPL-UHFFFAOYSA-N -1 3 280.368 3.401 20 10 CGCDHM O=C1CCN(Cc2ccc(Cl)cc2[O-])[C@@H]2CCCC[C@H]12 ZINC001140461732 804441090 /nfs/dbraw/zinc/44/10/90/804441090.db2.gz SERJRGZQEFSLDT-UONOGXRCSA-N -1 3 293.794 3.379 20 10 CGCDHM CN(Cc1ccccc1O)Cc1cc(F)c([O-])cc1F ZINC001144659599 805027085 /nfs/dbraw/zinc/02/70/85/805027085.db2.gz MWEVJYBULCXHLE-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM CC(C)(C)c1cc([O-])c(CN2CC3(COC3)C2)cc1Cl ZINC001248880759 805029377 /nfs/dbraw/zinc/02/93/77/805029377.db2.gz MLAUATPRIUSLCO-UHFFFAOYSA-N -1 3 295.810 3.175 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CC(C(F)(F)F)C1 ZINC001181860892 810077373 /nfs/dbraw/zinc/07/73/73/810077373.db2.gz PENZWBCNXYWNFM-UHFFFAOYSA-N -1 3 265.662 3.040 20 10 CGCDHM CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(Cl)cc1[O-] ZINC001205177862 812899605 /nfs/dbraw/zinc/89/96/05/812899605.db2.gz KKKPDZBSKNWGEE-GXFFZTMASA-N -1 3 269.772 3.045 20 10 CGCDHM CC[C@H]1CO[C@H](C)CN1Cc1ccc(Cl)cc1[O-] ZINC001205177863 812899757 /nfs/dbraw/zinc/89/97/57/812899757.db2.gz KKKPDZBSKNWGEE-MFKMUULPSA-N -1 3 269.772 3.045 20 10 CGCDHM CC[C@H]1CO[C@@H](C)CN1Cc1ccc(Cl)cc1[O-] ZINC001205177861 812899805 /nfs/dbraw/zinc/89/98/05/812899805.db2.gz KKKPDZBSKNWGEE-GWCFXTLKSA-N -1 3 269.772 3.045 20 10 CGCDHM C[C@@H]1CCC[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC001224857488 816895959 /nfs/dbraw/zinc/89/59/59/816895959.db2.gz JIJIQTOSRRQPOI-VXGBXAGGSA-N -1 3 294.370 3.157 20 10 CGCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c([O-])c1 ZINC001231452028 818102010 /nfs/dbraw/zinc/10/20/10/818102010.db2.gz BAHQHWJOVFHDDB-IUODEOHRSA-N -1 3 289.375 3.245 20 10 CGCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c([O-])c1 ZINC001231452028 818102015 /nfs/dbraw/zinc/10/20/15/818102015.db2.gz BAHQHWJOVFHDDB-IUODEOHRSA-N -1 3 289.375 3.245 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](C(F)(F)F)C1 ZINC001233334308 818583891 /nfs/dbraw/zinc/58/38/91/818583891.db2.gz BKJYFMIHWDBDHC-SSDOTTSWSA-N -1 3 281.224 3.055 20 10 CGCDHM CCO[C@@H]1CCCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236806854 819602118 /nfs/dbraw/zinc/60/21/18/819602118.db2.gz ATMDIKOQBLBBCS-GFCCVEGCSA-N -1 3 299.798 3.055 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1cscc1Cl ZINC001303875213 932835986 /nfs/dbraw/zinc/83/59/86/932835986.db2.gz CYYAJGFQHUEWOM-UHFFFAOYSA-N -1 3 285.727 3.176 20 10 CGCDHM [O-]c1ccc(F)cc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001462655123 937657368 /nfs/dbraw/zinc/65/73/68/937657368.db2.gz QGPGSTHATQTUPG-UHFFFAOYSA-N -1 3 281.714 3.180 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]2[C@@H](C1)C2(F)F ZINC001474572616 937867988 /nfs/dbraw/zinc/86/79/88/937867988.db2.gz WKWQILROASRALW-VHSXEESVSA-N -1 3 291.700 3.272 20 10 CGCDHM CCC[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])[C@@H](C)CC ZINC001595891614 982927440 /nfs/dbraw/zinc/92/74/40/982927440.db2.gz WJUQXVCCMIGEER-SWLSCSKDSA-N -1 3 279.380 3.104 20 10 CGCDHM CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])[C@@H](C)CC ZINC001595891614 982927445 /nfs/dbraw/zinc/92/74/45/982927445.db2.gz WJUQXVCCMIGEER-SWLSCSKDSA-N -1 3 279.380 3.104 20 10 CGCDHM [O-]c1cccc(Cl)c1CN(CC(F)F)C1CC1 ZINC000123207076 370910099 /nfs/dbraw/zinc/91/00/99/370910099.db2.gz YUNHDVZYPXFUCF-UHFFFAOYSA-N -1 3 261.699 3.275 20 10 CGCDHM Cc1ccc(C(=O)N2C[C@@H](C)[C@H]3CCCC[C@@H]32)c([O-])c1O ZINC000180528768 374018947 /nfs/dbraw/zinc/01/89/47/374018947.db2.gz WYJRNCDRQZXPKF-BZPMIXESSA-N -1 3 289.375 3.057 20 10 CGCDHM CO[C@@H](C)c1nc(CN[C@H](C)c2ccccc2[O-])cs1 ZINC000271724910 378502801 /nfs/dbraw/zinc/50/28/01/378502801.db2.gz YPTFSSRWHGDZIK-MNOVXSKESA-N -1 3 292.404 3.407 20 10 CGCDHM CCn1cc(CN[C@@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000273451857 378747772 /nfs/dbraw/zinc/74/77/72/378747772.db2.gz GGGHNVICCKAJLL-JTQLQIEISA-N -1 3 279.771 3.113 20 10 CGCDHM Cc1nnc([C@@H](C)N[C@H](C)c2ccc(C)cc2[O-])s1 ZINC000274122027 378780180 /nfs/dbraw/zinc/78/01/80/378780180.db2.gz AUEXTJBDHWPSKA-NXEZZACHSA-N -1 3 277.393 3.272 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC[C@H]1C1CCCC1 ZINC000731870270 572429978 /nfs/dbraw/zinc/42/99/78/572429978.db2.gz KACKNXDBNFTYHC-LBPRGKRZSA-N -1 3 265.378 3.249 20 10 CGCDHM O=C(NCc1c(F)cccc1Cl)c1cc([O-])cs1 ZINC000732267655 572455539 /nfs/dbraw/zinc/45/55/39/572455539.db2.gz PBZUUZAVSZSSPE-UHFFFAOYSA-N -1 3 285.727 3.176 20 10 CGCDHM Cc1csc(CNCc2cc(Cl)ccc2[O-])n1 ZINC000038090676 174104112 /nfs/dbraw/zinc/10/41/12/174104112.db2.gz KBMGMDMBQKADOZ-UHFFFAOYSA-N -1 3 268.769 3.100 20 10 CGCDHM [O-]c1ccc(F)cc1CN(Cc1ccccn1)C1CC1 ZINC000290605155 263117898 /nfs/dbraw/zinc/11/78/98/263117898.db2.gz WDIXBCJKTWFQAO-UHFFFAOYSA-N -1 3 272.323 3.091 20 10 CGCDHM CCn1cc([C@@H](C)N[C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000296109929 263186105 /nfs/dbraw/zinc/18/61/05/263186105.db2.gz ZMAVINWQIVFMSC-GHMZBOCLSA-N -1 3 277.343 3.160 20 10 CGCDHM [O-]c1c(F)cccc1CN(Cc1ccccn1)C1CC1 ZINC000290565252 328259371 /nfs/dbraw/zinc/25/93/71/328259371.db2.gz SONKMTNWRFQWNJ-UHFFFAOYSA-N -1 3 272.323 3.091 20 10 CGCDHM CCCOc1ccc(CN(C)Cc2cc(C)on2)c([O-])c1 ZINC000092254659 327190967 /nfs/dbraw/zinc/19/09/67/327190967.db2.gz UKKZZRRXRDGJMU-UHFFFAOYSA-N -1 3 290.363 3.109 20 10 CGCDHM O=C(NCc1ccc2cccnc2c1[O-])[C@H]1CCCC12CC2 ZINC000529500683 333491027 /nfs/dbraw/zinc/49/10/27/333491027.db2.gz HSJPELLNSMWBTK-CQSZACIVSA-N -1 3 296.370 3.137 20 10 CGCDHM CCn1cnnc1CN[C@H](C)c1ccc2ccccc2c1[O-] ZINC000273299240 334764016 /nfs/dbraw/zinc/76/40/16/334764016.db2.gz AWRRSRIZTTVQHK-GFCCVEGCSA-N -1 3 296.374 3.008 20 10 CGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2cccs2)c1[O-] ZINC000050134022 518282916 /nfs/dbraw/zinc/28/29/16/518282916.db2.gz ANHAKVIWIDEGAU-UHFFFAOYSA-N -1 3 293.363 3.427 20 10 CGCDHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1ccccn1 ZINC000062745002 525531372 /nfs/dbraw/zinc/53/13/72/525531372.db2.gz NLMPAYNEDFIOKZ-QWRGUYRKSA-N -1 3 260.312 3.338 20 10 CGCDHM CC(C)(C)C[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000731872395 572430830 /nfs/dbraw/zinc/43/08/30/572430830.db2.gz HZMZPNCWIIYSHM-SNVBAGLBSA-N -1 3 267.394 3.495 20 10 CGCDHM O=C(c1cc([O-])cs1)N(Cc1cccs1)C1CC1 ZINC000731868657 572433935 /nfs/dbraw/zinc/43/39/35/572433935.db2.gz NXHXQXFQOOGOOO-UHFFFAOYSA-N -1 3 279.386 3.320 20 10 CGCDHM C[C@H](OC(=O)c1cc([O-])cs1)c1nc(C(C)(C)C)no1 ZINC000731912254 572436272 /nfs/dbraw/zinc/43/62/72/572436272.db2.gz RZXIVFWEBVSFED-ZETCQYMHSA-N -1 3 296.348 3.052 20 10 CGCDHM CN(Cc1ccccc1[O-])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000732203376 572452106 /nfs/dbraw/zinc/45/21/06/572452106.db2.gz ZTXUEOLKLIVSIE-UHFFFAOYSA-N -1 3 290.294 3.072 20 10 CGCDHM Cc1nc2ccc(NC(=O)c3cc([O-])cs3)cc2o1 ZINC000732268897 572455817 /nfs/dbraw/zinc/45/58/17/572455817.db2.gz RCLXUCTVWGYDKS-UHFFFAOYSA-N -1 3 274.301 3.156 20 10 CGCDHM Cc1ccc(CCNC(=O)c2cc([O-])cs2)c(C)c1 ZINC000732277623 572456983 /nfs/dbraw/zinc/45/69/83/572456983.db2.gz PCVHIIDXIKKIMI-UHFFFAOYSA-N -1 3 275.373 3.043 20 10 CGCDHM C[C@H]1CCCC[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000732278198 572458270 /nfs/dbraw/zinc/45/82/70/572458270.db2.gz WSJPNVWGBZDLLJ-UWVGGRQHSA-N -1 3 253.367 3.010 20 10 CGCDHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2cc([O-])cs2)s1 ZINC000732288871 572458997 /nfs/dbraw/zinc/45/89/97/572458997.db2.gz IQTGDZUMZKDTQJ-QMMMGPOBSA-N -1 3 296.417 3.360 20 10 CGCDHM Cc1ccc2c(c1)[C@H](NC(=O)c1cc([O-])cs1)CC2 ZINC000732289720 572459017 /nfs/dbraw/zinc/45/90/17/572459017.db2.gz WDDXZZYJKWGRLB-CYBMUJFWSA-N -1 3 273.357 3.179 20 10 CGCDHM Cc1ccc(C(=O)COC(=O)c2cc([O-])cs2)c(C)c1 ZINC000732353095 572461233 /nfs/dbraw/zinc/46/12/33/572461233.db2.gz COIGFLOXOSSHPG-UHFFFAOYSA-N -1 3 290.340 3.110 20 10 CGCDHM C[C@H]1CCC[C@H](C)N(C(=O)c2cc([O-])cs2)C1 ZINC000743603568 572673384 /nfs/dbraw/zinc/67/33/84/572673384.db2.gz DMXWJKJIYXSPMW-UWVGGRQHSA-N -1 3 253.367 3.104 20 10 CGCDHM CC[C@H]1CCCCCN1C(=O)c1cc([O-])cs1 ZINC000743811891 572685260 /nfs/dbraw/zinc/68/52/60/572685260.db2.gz HMYVFWZQYZWEMI-JTQLQIEISA-N -1 3 253.367 3.249 20 10 CGCDHM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc([O-])cs1 ZINC000748371589 572974986 /nfs/dbraw/zinc/97/49/86/572974986.db2.gz WKNBVBZYYCTASM-CMPLNLGQSA-N -1 3 267.394 3.495 20 10 CGCDHM C[C@@H]1c2ccccc2CCN1C(=O)c1cc([O-])cs1 ZINC000748505330 572979396 /nfs/dbraw/zinc/97/93/96/572979396.db2.gz PEURKJMLMIDSHK-SNVBAGLBSA-N -1 3 273.357 3.213 20 10 CGCDHM C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000286197437 617627746 /nfs/dbraw/zinc/62/77/46/617627746.db2.gz BLZKYGBRJSOPTD-SWLSCSKDSA-N -1 3 297.354 3.321 20 10 CGCDHM [O-]c1c(F)cccc1CNc1ccc(Cl)nc1 ZINC000158827798 618735135 /nfs/dbraw/zinc/73/51/35/618735135.db2.gz LYERWKVZODKFAF-UHFFFAOYSA-N -1 3 252.676 3.192 20 10 CGCDHM C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000286197430 618762357 /nfs/dbraw/zinc/76/23/57/618762357.db2.gz BLZKYGBRJSOPTD-DOMZBBRYSA-N -1 3 297.354 3.321 20 10 CGCDHM Cc1ccc(C(=O)Nc2cc(F)ccc2C)c([O-])c1O ZINC000179384773 618780340 /nfs/dbraw/zinc/78/03/40/618780340.db2.gz LFNFCWGLUVGLML-UHFFFAOYSA-N -1 3 275.279 3.106 20 10 CGCDHM CC[C@@H](CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000192895659 619123611 /nfs/dbraw/zinc/12/36/11/619123611.db2.gz LOSBMIQOLOPUSZ-LBPRGKRZSA-N -1 3 285.343 3.021 20 10 CGCDHM Cc1cc([O-])c(CN2CC(C(F)(F)F)C2)cc1Cl ZINC000894890589 619669878 /nfs/dbraw/zinc/66/98/78/619669878.db2.gz KHLDAVWTXHMBJO-UHFFFAOYSA-N -1 3 279.689 3.348 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(F)CC1 ZINC000895547094 619843814 /nfs/dbraw/zinc/84/38/14/619843814.db2.gz LDCDVTRTHTUIEO-UHFFFAOYSA-N -1 3 261.699 3.119 20 10 CGCDHM C[C@@H](N[C@@H](C)C(F)F)c1ccc(Br)cc1[O-] ZINC000883399772 619996361 /nfs/dbraw/zinc/99/63/61/619996361.db2.gz UZCGPHYMNYQXTF-RQJHMYQMSA-N -1 3 294.139 3.459 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCC2(CC2)C1 ZINC000928708195 620207984 /nfs/dbraw/zinc/20/79/84/620207984.db2.gz AYLOYUCKLRSDDW-NSHDSACASA-N -1 3 277.339 3.118 20 10 CGCDHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000148621954 620400265 /nfs/dbraw/zinc/40/02/65/620400265.db2.gz IDFVFVFANJREOM-UHFFFAOYSA-N -1 3 291.372 3.118 20 10 CGCDHM COc1ccc(N[C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000062744685 623265212 /nfs/dbraw/zinc/26/52/12/623265212.db2.gz GWCVLWJKKMJEJT-SECBINFHSA-N -1 3 262.284 3.108 20 10 CGCDHM C[C@@H](Nc1cnn(CC2CC2)c1)c1ccc(F)cc1[O-] ZINC000186358195 625794570 /nfs/dbraw/zinc/79/45/70/625794570.db2.gz UCUVVVWVMJAHNX-SNVBAGLBSA-N -1 3 275.327 3.311 20 10 CGCDHM C[C@H](NCc1ccc(Cl)o1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756790622 626732651 /nfs/dbraw/zinc/73/26/51/626732651.db2.gz PNRUTOVNCRTWSD-QMMMGPOBSA-N -1 3 296.710 3.398 20 10 CGCDHM C[C@@H](N[C@@H](CCO)c1ccco1)c1cc(F)cc(F)c1[O-] ZINC000769418527 627550539 /nfs/dbraw/zinc/55/05/39/627550539.db2.gz RZWSWLZWTWWKQB-RNCFNFMXSA-N -1 3 297.301 3.038 20 10 CGCDHM Cc1cccc(CN(C)Cc2c([O-])cccc2Cl)n1 ZINC000769479952 627558415 /nfs/dbraw/zinc/55/84/15/627558415.db2.gz KYZGUVQRIWDHBS-UHFFFAOYSA-N -1 3 276.767 3.381 20 10 CGCDHM O=C(NCc1ccccc1O)c1cc2sccc2c([O-])c1 ZINC000774063665 627941390 /nfs/dbraw/zinc/94/13/90/627941390.db2.gz IORRGPGMLVOEOT-UHFFFAOYSA-N -1 3 299.351 3.243 20 10 CGCDHM CC[C@H](NCc1ccon1)c1cc(Cl)ccc1[O-] ZINC000775512169 628102624 /nfs/dbraw/zinc/10/26/24/628102624.db2.gz NCCKBOVSJGROBU-LBPRGKRZSA-N -1 3 266.728 3.275 20 10 CGCDHM COC[C@@H](C)n1ccc(NCc2c([O-])cccc2Cl)n1 ZINC000778212923 628334203 /nfs/dbraw/zinc/33/42/03/628334203.db2.gz GYOMFIUNCUIBGX-SNVBAGLBSA-N -1 3 295.770 3.062 20 10 CGCDHM O=C(NCCCCCc1ccccc1)c1cccc(O)c1[O-] ZINC000790635612 629221811 /nfs/dbraw/zinc/22/18/11/629221811.db2.gz JYCPHEREOLUEMQ-UHFFFAOYSA-N -1 3 299.370 3.241 20 10 CGCDHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000790646567 629222746 /nfs/dbraw/zinc/22/27/46/629222746.db2.gz NOGBLMJIJXNVOA-NWDGAFQWSA-N -1 3 277.364 3.042 20 10 CGCDHM CCCCC[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000790892549 629239409 /nfs/dbraw/zinc/23/94/09/629239409.db2.gz BFNNNLOLGKWYBR-GFCCVEGCSA-N -1 3 277.364 3.283 20 10 CGCDHM [O-]c1c(Cl)cccc1Cn1cnc2c1CCCC2 ZINC000862431265 629370697 /nfs/dbraw/zinc/37/06/97/629370697.db2.gz LLQVDBBUUCJFGK-UHFFFAOYSA-N -1 3 262.740 3.169 20 10 CGCDHM C[C@@H]1C[C@H](C)N1Cc1cccc(Br)c1[O-] ZINC000793227445 629431957 /nfs/dbraw/zinc/43/19/57/629431957.db2.gz CETCDOIAQTXDBD-DTORHVGOSA-N -1 3 270.170 3.137 20 10 CGCDHM Cc1cc([O-])c(CN2CC(C(F)(F)F)C2)c(Cl)c1 ZINC000864049493 629741211 /nfs/dbraw/zinc/74/12/11/629741211.db2.gz UEVPNPBAKAUGRV-UHFFFAOYSA-N -1 3 279.689 3.348 20 10 CGCDHM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000807886462 630604645 /nfs/dbraw/zinc/60/46/45/630604645.db2.gz RRIZWVLGZLTNAT-RYUDHWBXSA-N -1 3 291.391 3.385 20 10 CGCDHM Cc1ccoc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000816617281 632025264 /nfs/dbraw/zinc/02/52/64/632025264.db2.gz TZBADTZBWFDTNE-UHFFFAOYSA-N -1 3 269.703 3.376 20 10 CGCDHM Cc1cc(CN(C)Cc2cc(Cl)c(C)cc2[O-])no1 ZINC000824581791 633262307 /nfs/dbraw/zinc/26/23/07/633262307.db2.gz TXCVIUROSULGEX-UHFFFAOYSA-N -1 3 280.755 3.282 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H]2C[C@@H]2C1 ZINC000827506245 633495245 /nfs/dbraw/zinc/49/52/45/633495245.db2.gz FKGIWYLDKGIQRW-RKDXNWHRSA-N -1 3 255.720 3.027 20 10 CGCDHM Cc1occc1CN(C)Cc1ccc(F)c(F)c1[O-] ZINC000876635200 634872069 /nfs/dbraw/zinc/87/20/69/634872069.db2.gz OUPFTAVUKNLUGU-UHFFFAOYSA-N -1 3 267.275 3.204 20 10 CGCDHM Cc1ccc(Cl)cc1NC(=O)c1cccc(O)c1[O-] ZINC000126185420 634909578 /nfs/dbraw/zinc/90/95/78/634909578.db2.gz FBLBWUAYNGRLRZ-UHFFFAOYSA-N -1 3 277.707 3.312 20 10 CGCDHM CSc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000126204601 634918658 /nfs/dbraw/zinc/91/86/58/634918658.db2.gz HXVTWBIUUBBDKQ-UHFFFAOYSA-N -1 3 275.329 3.072 20 10 CGCDHM CC(C)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000126205278 634919261 /nfs/dbraw/zinc/91/92/61/634919261.db2.gz QSYWYVIOKKTMBH-UHFFFAOYSA-N -1 3 271.316 3.474 20 10 CGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Cl)cc1 ZINC000126313023 634959690 /nfs/dbraw/zinc/95/96/90/634959690.db2.gz QSWLYOWOSKVGMC-SECBINFHSA-N -1 3 291.734 3.242 20 10 CGCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC000841454198 635177548 /nfs/dbraw/zinc/17/75/48/635177548.db2.gz VOKCKCRRQRCZNY-OLZOCXBDSA-N -1 3 291.391 3.385 20 10 CGCDHM COC(=O)[C@H](CC(C)(C)C)NCc1cc(Cl)ccc1[O-] ZINC000843424224 635668321 /nfs/dbraw/zinc/66/83/21/635668321.db2.gz WGFWQKKYBABLGY-LBPRGKRZSA-N -1 3 299.798 3.113 20 10 CGCDHM CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000844939110 635988375 /nfs/dbraw/zinc/98/83/75/635988375.db2.gz ZUMULYOYZFUCKZ-INIZCTEOSA-N -1 3 299.370 3.354 20 10 CGCDHM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000844939110 635988379 /nfs/dbraw/zinc/98/83/79/635988379.db2.gz ZUMULYOYZFUCKZ-INIZCTEOSA-N -1 3 299.370 3.354 20 10 CGCDHM Cc1cc([O-])c(CN2CC3(CC3(F)F)C2)c(Cl)c1 ZINC000848922177 636692547 /nfs/dbraw/zinc/69/25/47/636692547.db2.gz OCJMYDOEDYCPNF-UHFFFAOYSA-N -1 3 273.710 3.195 20 10 CGCDHM C[C@@H](N[C@@H](CO)c1cccc(F)c1)c1c([O-])cccc1F ZINC000886548142 637575776 /nfs/dbraw/zinc/57/57/76/637575776.db2.gz XWKSKYNKICCJJX-YGRLFVJLSA-N -1 3 293.313 3.055 20 10 CGCDHM CC(C)c1nnc([C@@H](C)N[C@H](C)c2c([O-])cccc2F)[nH]1 ZINC000886558651 637581575 /nfs/dbraw/zinc/58/15/75/637581575.db2.gz PBJDJXCTHZOKNO-NXEZZACHSA-N -1 3 292.358 3.185 20 10 CGCDHM CON(C)Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000048620460 640063508 /nfs/dbraw/zinc/06/35/08/640063508.db2.gz TXYLVBUUWXVFGX-UHFFFAOYSA-N -1 3 261.321 3.010 20 10 CGCDHM CO[C@@H](C)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000188372694 640133356 /nfs/dbraw/zinc/13/33/56/640133356.db2.gz XYSNDNLNUWAXPY-JTQLQIEISA-N -1 3 287.315 3.058 20 10 CGCDHM Cc1ccc(-c2nnc(-c3cccc(O)c3[O-])o2)cc1 ZINC001252608026 806085335 /nfs/dbraw/zinc/08/53/35/806085335.db2.gz FOMXXRNZOGUJNB-UHFFFAOYSA-N -1 3 268.272 3.123 20 10 CGCDHM CCCCN(CC(=O)OCC)Cc1ccc(Cl)cc1[O-] ZINC001140464287 804441194 /nfs/dbraw/zinc/44/11/94/804441194.db2.gz JUTUBCKYUJZNLH-UHFFFAOYSA-N -1 3 299.798 3.211 20 10 CGCDHM CC[N@H+](Cc1ccccc1[O-])Cc1ccccc1C(=O)[O-] ZINC001140502730 804448324 /nfs/dbraw/zinc/44/83/24/804448324.db2.gz BSFLGTJCPRWYDX-UHFFFAOYSA-N -1 3 285.343 3.113 20 10 CGCDHM CC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1C(=O)[O-] ZINC001140502730 804448327 /nfs/dbraw/zinc/44/83/27/804448327.db2.gz BSFLGTJCPRWYDX-UHFFFAOYSA-N -1 3 285.343 3.113 20 10 CGCDHM [O-]c1cc(F)cc(F)c1CN1CCCC(F)(F)CC1 ZINC001140582647 804466844 /nfs/dbraw/zinc/46/68/44/804466844.db2.gz LNIUNVOXWNSCHN-UHFFFAOYSA-N -1 3 277.261 3.292 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001142512597 804729136 /nfs/dbraw/zinc/72/91/36/804729136.db2.gz FORYDAIROJLQTP-AOOOYVTPSA-N -1 3 289.272 3.148 20 10 CGCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCCC[C@H]1C ZINC001143553178 804865246 /nfs/dbraw/zinc/86/52/46/804865246.db2.gz LMNHTSWIIOPAKY-DGCLKSJQSA-N -1 3 277.364 3.139 20 10 CGCDHM C[C@H](c1ccccc1)N(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC001258105158 807309561 /nfs/dbraw/zinc/30/95/61/807309561.db2.gz CHHWLLFROJCAKP-GFCCVEGCSA-N -1 3 297.354 3.464 20 10 CGCDHM C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@H](C2CC2)O1 ZINC001181373938 810049202 /nfs/dbraw/zinc/04/92/02/810049202.db2.gz UUGUGVHLVIILAC-MEBBXXQBSA-N -1 3 281.783 3.045 20 10 CGCDHM CC(C)(C)[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001184374156 810196465 /nfs/dbraw/zinc/19/64/65/810196465.db2.gz KOCMGPDZGBJQOM-OAHLLOKOSA-N -1 3 299.361 3.307 20 10 CGCDHM Cc1c(F)cccc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215143799 815488980 /nfs/dbraw/zinc/48/89/80/815488980.db2.gz SVSORELWFROPTA-UHFFFAOYSA-N -1 3 286.262 3.262 20 10 CGCDHM [O-]c1cc(CN2CCc3cccc(O)c3C2)ccc1Cl ZINC001231736700 818164529 /nfs/dbraw/zinc/16/45/29/818164529.db2.gz JYJXVZIMJNFMCK-UHFFFAOYSA-N -1 3 289.762 3.310 20 10 CGCDHM C[C@H]1C[C@@H](O)CCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236798112 819599680 /nfs/dbraw/zinc/59/96/80/819599680.db2.gz GSPICCIJOZJITJ-WPRPVWTQSA-N -1 3 290.190 3.044 20 10 CGCDHM C[C@H]1C[C@@H](O)CCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237084823 819663452 /nfs/dbraw/zinc/66/34/52/819663452.db2.gz OAJHCQQAZIRYRA-IUCAKERBSA-N -1 3 290.190 3.044 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCCC12CC2 ZINC001237807829 819848317 /nfs/dbraw/zinc/84/83/17/819848317.db2.gz MSWKNSIOALSFKY-UHFFFAOYSA-N -1 3 255.720 3.313 20 10 CGCDHM [O-]c1cc(Cl)c(F)cc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237948676 819890927 /nfs/dbraw/zinc/89/09/27/819890927.db2.gz GJRJEVWNQVEQTD-ARENWVFISA-N -1 3 273.710 3.117 20 10 CGCDHM [O-]c1cccc(F)c1CNc1nc(Cl)cs1 ZINC001458623592 937470242 /nfs/dbraw/zinc/47/02/42/937470242.db2.gz UCEUXDBMZNAJSS-UHFFFAOYSA-N -1 3 258.705 3.253 20 10 CGCDHM COc1ccc(F)cc1CNCc1cc(F)cc(F)c1[O-] ZINC001461446137 937581783 /nfs/dbraw/zinc/58/17/83/937581783.db2.gz AQDMGKJGPRFIPC-UHFFFAOYSA-N -1 3 297.276 3.108 20 10 CGCDHM Cc1cccc([O-])c1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001467260416 937716659 /nfs/dbraw/zinc/71/66/59/937716659.db2.gz RKPXTBJREFUOAZ-ZDUSSCGKSA-N -1 3 298.386 3.258 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1cnc2ccccc2c1 ZINC001471976330 937771421 /nfs/dbraw/zinc/77/14/21/937771421.db2.gz WQZVBRGQUKJPOL-UHFFFAOYSA-N -1 3 296.301 3.010 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1ccc2ccccc2n1 ZINC001558454973 938215573 /nfs/dbraw/zinc/21/55/73/938215573.db2.gz IZJBUOZAVBMAAZ-UHFFFAOYSA-N -1 3 296.301 3.010 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CNCc1ncc(Cl)s1 ZINC001560996809 938288486 /nfs/dbraw/zinc/28/84/86/938288486.db2.gz CCBIYTLLWOYZSM-UHFFFAOYSA-N -1 3 290.722 3.070 20 10 CGCDHM Cc1cc(C)cc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001562132530 938297947 /nfs/dbraw/zinc/29/79/47/938297947.db2.gz AKMHMRMLXZDNLS-UHFFFAOYSA-N -1 3 288.322 3.470 20 10 CGCDHM CCCCCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001595712049 982303567 /nfs/dbraw/zinc/30/35/67/982303567.db2.gz GLRKWDZRDWOYCU-LLVKDONJSA-N -1 3 265.353 3.321 20 10 CGCDHM C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594261621 999010648 /nfs/dbraw/zinc/01/06/48/999010648.db2.gz OMUNSPWTCMIHAW-FOGDFJRCSA-N -1 3 295.404 3.025 20 10 CGCDHM C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594261623 999010885 /nfs/dbraw/zinc/01/08/85/999010885.db2.gz OMUNSPWTCMIHAW-SCVCMEIPSA-N -1 3 295.404 3.025 20 10 CGCDHM CSC[C@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000135471530 371430889 /nfs/dbraw/zinc/43/08/89/371430889.db2.gz SODSWDHEKVXGFR-CYBMUJFWSA-N -1 3 297.395 3.061 20 10 CGCDHM CCn1ccnc1CN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000296641017 373203767 /nfs/dbraw/zinc/20/37/67/373203767.db2.gz YCIKMQTZNPGDFF-JTQLQIEISA-N -1 3 279.771 3.113 20 10 CGCDHM Cc1ncc(CN(C)Cc2cccc(Cl)c2[O-])s1 ZINC000179790593 373918064 /nfs/dbraw/zinc/91/80/64/373918064.db2.gz JNDJIIATHVEQJC-UHFFFAOYSA-N -1 3 282.796 3.443 20 10 CGCDHM Cc1cc(CN[C@H](C)c2cc(Cl)ccc2[O-])on1 ZINC000185357075 374646500 /nfs/dbraw/zinc/64/65/00/374646500.db2.gz NLDCTERQNZWJCS-SECBINFHSA-N -1 3 266.728 3.193 20 10 CGCDHM Cc1ccccc1[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000280648175 379755209 /nfs/dbraw/zinc/75/52/09/379755209.db2.gz NJJRBWDLBKJPGD-CYBMUJFWSA-N -1 3 297.354 3.036 20 10 CGCDHM CCc1nnc([C@H](C)N[C@H](CC)c2ccc(F)cc2[O-])[nH]1 ZINC000286174790 380171146 /nfs/dbraw/zinc/17/11/46/380171146.db2.gz QBJYEKNYWBLPOR-JOYOIKCWSA-N -1 3 292.358 3.014 20 10 CGCDHM CN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@H]1CCCO1 ZINC000132951776 392462335 /nfs/dbraw/zinc/46/23/35/392462335.db2.gz QNYMPHAQWHPVLG-LLVKDONJSA-N -1 3 290.190 3.310 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCOC[C@@H]1c1ccccc1 ZINC000374891065 392713992 /nfs/dbraw/zinc/71/39/92/392713992.db2.gz FRPNVEXHJGYUIZ-MRXNPFEDSA-N -1 3 287.334 3.105 20 10 CGCDHM Cc1nnc([C@H](C)N[C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000274262700 327980032 /nfs/dbraw/zinc/98/00/32/327980032.db2.gz VCCUMNJFAPYGAX-YUMQZZPRSA-N -1 3 281.356 3.103 20 10 CGCDHM Cc1nn(C)c(C)c1N[C@@H](C)c1cc(F)ccc1[O-] ZINC000094616897 527651110 /nfs/dbraw/zinc/65/11/10/527651110.db2.gz YDWQRBLBBUPNTP-QMMMGPOBSA-N -1 3 263.316 3.055 20 10 CGCDHM Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)cc1C(C)C ZINC000738463860 571774517 /nfs/dbraw/zinc/77/45/17/571774517.db2.gz QMRXEOYYUCFFBB-CYBMUJFWSA-N -1 3 291.391 3.121 20 10 CGCDHM Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1C(C)C ZINC000738463860 571774519 /nfs/dbraw/zinc/77/45/19/571774519.db2.gz QMRXEOYYUCFFBB-CYBMUJFWSA-N -1 3 291.391 3.121 20 10 CGCDHM CCOc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000731863919 572430012 /nfs/dbraw/zinc/43/00/12/572430012.db2.gz JVBQBYBUJWWMHG-UHFFFAOYSA-N -1 3 263.318 3.105 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC(c2ccccc2)CC1 ZINC000731867735 572433444 /nfs/dbraw/zinc/43/34/44/572433444.db2.gz RTDLWJZNZQTELT-UHFFFAOYSA-N -1 3 287.384 3.474 20 10 CGCDHM O=C(Nc1ccc(F)c(Cl)c1)c1cc([O-])cs1 ZINC000731867649 572433565 /nfs/dbraw/zinc/43/35/65/572433565.db2.gz YYSNSCOCHFJEMC-UHFFFAOYSA-N -1 3 271.700 3.499 20 10 CGCDHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2cc([O-])cs2)o1 ZINC000732273856 572457086 /nfs/dbraw/zinc/45/70/86/572457086.db2.gz DRXWOIKWODFZDG-KCJUWKMLSA-N -1 3 277.345 3.100 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC(OC2CCCC2)CC1 ZINC000732281674 572457859 /nfs/dbraw/zinc/45/78/59/572457859.db2.gz XCZYDHKVEKFHNR-UHFFFAOYSA-N -1 3 295.404 3.018 20 10 CGCDHM CCC[C@@H](NC(=O)c1cc([O-])cs1)c1ccccn1 ZINC000732286473 572458908 /nfs/dbraw/zinc/45/89/08/572458908.db2.gz FXLLLRSAUXCMBK-GFCCVEGCSA-N -1 3 276.361 3.120 20 10 CGCDHM Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c([O-])c1 ZINC000734405760 572652624 /nfs/dbraw/zinc/65/26/24/572652624.db2.gz JPJYXFIJEXDXEX-UHFFFAOYSA-N -1 3 298.386 3.005 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CC[C@H]1c1cccc(F)c1 ZINC000743759239 572682169 /nfs/dbraw/zinc/68/21/69/572682169.db2.gz RODSKIMUAXTWQN-LBPRGKRZSA-N -1 3 277.320 3.180 20 10 CGCDHM C[C@H](Sc1nccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190350 572771462 /nfs/dbraw/zinc/77/14/62/572771462.db2.gz DEKSWMXXUWJDPP-QMMMGPOBSA-N -1 3 289.389 3.177 20 10 CGCDHM C[C@H](Sc1nccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190350 572771464 /nfs/dbraw/zinc/77/14/64/572771464.db2.gz DEKSWMXXUWJDPP-QMMMGPOBSA-N -1 3 289.389 3.177 20 10 CGCDHM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000750251539 573105409 /nfs/dbraw/zinc/10/54/09/573105409.db2.gz SDWSDIBPGRFJDM-WDEREUQCSA-N -1 3 285.434 3.248 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC(OC2CCC2)CC1 ZINC000895024033 619696977 /nfs/dbraw/zinc/69/69/77/619696977.db2.gz HOZIEWIYTVLQPF-UHFFFAOYSA-N -1 3 297.345 3.204 20 10 CGCDHM CC(C)Cc1nsc(NCc2c([O-])cccc2F)n1 ZINC000895832872 619894514 /nfs/dbraw/zinc/89/45/14/619894514.db2.gz PBJSQMMPNJOHEF-UHFFFAOYSA-N -1 3 281.356 3.193 20 10 CGCDHM CC(C)Cc1ncc(CNCc2c([O-])cccc2F)s1 ZINC000896640314 620041611 /nfs/dbraw/zinc/04/16/11/620041611.db2.gz JWBZEZVFXAOXHX-UHFFFAOYSA-N -1 3 294.395 3.476 20 10 CGCDHM Cc1ccc(CNCc2cc(Cl)cc(F)c2[O-])nc1C ZINC000839164521 626323375 /nfs/dbraw/zinc/32/33/75/626323375.db2.gz WGZVXSPWISKTNQ-UHFFFAOYSA-N -1 3 294.757 3.486 20 10 CGCDHM Cc1ccc2nc(CN[C@@H](C)c3ccc(F)cc3[O-])cn2c1 ZINC000756531999 626712493 /nfs/dbraw/zinc/71/24/93/626712493.db2.gz CLXKXKFJMFEEKH-LBPRGKRZSA-N -1 3 299.349 3.338 20 10 CGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(F)c2)c1 ZINC000756795155 626733350 /nfs/dbraw/zinc/73/33/50/626733350.db2.gz IKPUPFJGTJXAPO-SNVBAGLBSA-N -1 3 289.306 3.491 20 10 CGCDHM CC(C)C[C@@H]1COCCN1Cc1c([O-])cccc1Cl ZINC000769397548 627548533 /nfs/dbraw/zinc/54/85/33/627548533.db2.gz FFAYYPBDLOLUSQ-GFCCVEGCSA-N -1 3 283.799 3.293 20 10 CGCDHM Cc1occc1CNCc1cc(Cl)cc(F)c1[O-] ZINC000776038603 628160930 /nfs/dbraw/zinc/16/09/30/628160930.db2.gz IUUFENOFIIPZFD-UHFFFAOYSA-N -1 3 269.703 3.376 20 10 CGCDHM [O-]c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1F ZINC000776213056 628180611 /nfs/dbraw/zinc/18/06/11/628180611.db2.gz PJMLUCCZKOXPMP-UHFFFAOYSA-N -1 3 281.714 3.180 20 10 CGCDHM CC(C)[C@@H](CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000776332403 628194691 /nfs/dbraw/zinc/19/46/91/628194691.db2.gz DKCVIBFDZUIYQS-OAHLLOKOSA-N -1 3 299.370 3.267 20 10 CGCDHM O=C(N[C@H](c1ccccc1)C1CCC1)c1cccc(O)c1[O-] ZINC000776348983 628196079 /nfs/dbraw/zinc/19/60/79/628196079.db2.gz FFQBEOJQFRANKC-MRXNPFEDSA-N -1 3 297.354 3.369 20 10 CGCDHM Cc1cccc([C@H](C)NC(=O)c2cccc(O)c2[O-])c1C ZINC000790727426 629226750 /nfs/dbraw/zinc/22/67/50/629226750.db2.gz VHNBZFQZFXVDDP-LBPRGKRZSA-N -1 3 285.343 3.206 20 10 CGCDHM CC(C)CN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000790748828 629227640 /nfs/dbraw/zinc/22/76/40/629227640.db2.gz CJTJLMGQNDYCHA-UHFFFAOYSA-N -1 3 299.370 3.396 20 10 CGCDHM CO[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[C@H]1C ZINC000792180382 629345486 /nfs/dbraw/zinc/34/54/86/629345486.db2.gz QZTPCWAXEPSXOM-NOZJJQNGSA-N -1 3 287.762 3.042 20 10 CGCDHM CC1=C[C@@H](C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000797605251 629970416 /nfs/dbraw/zinc/97/04/16/629970416.db2.gz OHXCKYPGCFDORV-SECBINFHSA-N -1 3 296.754 3.352 20 10 CGCDHM CC1=CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816513697 632000581 /nfs/dbraw/zinc/00/05/81/632000581.db2.gz ZFIBSBZMZMWBJO-UHFFFAOYSA-N -1 3 255.720 3.337 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(F)(F)CC1 ZINC000816596838 632020933 /nfs/dbraw/zinc/02/09/33/632020933.db2.gz SYPMOSKOKBUASA-UHFFFAOYSA-N -1 3 279.689 3.416 20 10 CGCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](C)[C@H]2C)c1 ZINC000816648982 632034378 /nfs/dbraw/zinc/03/43/78/632034378.db2.gz RNQMJYYPQGHZLE-VHSXEESVSA-N -1 3 284.197 3.303 20 10 CGCDHM Cc1cc([O-])c(CN[C@@H](C)C(=O)OC(C)(C)C)cc1Cl ZINC000825038009 633320604 /nfs/dbraw/zinc/32/06/04/633320604.db2.gz NIEHXDWLIITVOV-JTQLQIEISA-N -1 3 299.798 3.174 20 10 CGCDHM [O-]c1cc(Br)ccc1CN1CCC=C(F)C1 ZINC000825461650 633355860 /nfs/dbraw/zinc/35/58/60/633355860.db2.gz LDZXGFBBTDHFIE-UHFFFAOYSA-N -1 3 286.144 3.214 20 10 CGCDHM Cc1cc([O-])c(CN2CCC[C@H](F)C2)c(Cl)c1 ZINC000846119485 636147375 /nfs/dbraw/zinc/14/73/75/636147375.db2.gz FQGJCMDWVVGSPF-JTQLQIEISA-N -1 3 257.736 3.288 20 10 CGCDHM CC(C)(C)c1csc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000126309388 634957383 /nfs/dbraw/zinc/95/73/83/634957383.db2.gz OVDSYFDZCDZLNC-UHFFFAOYSA-N -1 3 292.360 3.104 20 10 CGCDHM CCn1ccnc1[C@@H](C)NCc1c([O-])cc(C)cc1Cl ZINC000840951421 635091537 /nfs/dbraw/zinc/09/15/37/635091537.db2.gz XYPASFUJHQPSFJ-LLVKDONJSA-N -1 3 293.798 3.421 20 10 CGCDHM Cc1cc(Cl)cc(C[NH+]2CCC(C)(C(=O)[O-])CC2)c1[O-] ZINC000843041573 635547866 /nfs/dbraw/zinc/54/78/66/635547866.db2.gz SOZJYRFUMMRTOT-UHFFFAOYSA-N -1 3 297.782 3.041 20 10 CGCDHM Cc1ccc(C(=O)Nc2nccc(C)c2C2CC2)c([O-])c1O ZINC000926109272 638706975 /nfs/dbraw/zinc/70/69/75/638706975.db2.gz XYFCYKMHGVVQLW-UHFFFAOYSA-N -1 3 298.342 3.239 20 10 CGCDHM CC(C(=O)NCc1c([O-])cccc1F)=C1CCCC1 ZINC000928704813 638889253 /nfs/dbraw/zinc/88/92/53/638889253.db2.gz DMVGAZKUXZRDPE-UHFFFAOYSA-N -1 3 263.312 3.038 20 10 CGCDHM Cc1ccc([C@@H](C)N(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000192975828 640423395 /nfs/dbraw/zinc/42/33/95/640423395.db2.gz KISTUUYFDGLLSH-GFCCVEGCSA-N -1 3 285.343 3.239 20 10 CGCDHM [O-]c1c(O)cccc1-c1nnc([C@H]2C[C@H]2c2ccccc2)o1 ZINC001254512923 806432776 /nfs/dbraw/zinc/43/27/76/806432776.db2.gz LXWJKVXDZSIPAD-STQMWFEESA-N -1 3 294.310 3.419 20 10 CGCDHM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1cscn1 ZINC000697819379 799850671 /nfs/dbraw/zinc/85/06/71/799850671.db2.gz HWGHINZCABKWEU-RKDXNWHRSA-N -1 3 266.341 3.400 20 10 CGCDHM C[C@@H]1CCN(Cc2cc(F)ccc2[O-])CC1(F)F ZINC001140058351 804364901 /nfs/dbraw/zinc/36/49/01/804364901.db2.gz XHJSSMIWKLQKNT-SECBINFHSA-N -1 3 259.271 3.008 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CC2(C1)C[C@@H](F)CS2 ZINC001140466053 804444102 /nfs/dbraw/zinc/44/41/02/804444102.db2.gz VPKDHPRSICGCME-LLVKDONJSA-N -1 3 287.787 3.075 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H]1c1cccnc1 ZINC001142508897 804727743 /nfs/dbraw/zinc/72/77/43/804727743.db2.gz PCMGYPUXRPSGJY-OAHLLOKOSA-N -1 3 290.313 3.403 20 10 CGCDHM C/C=C(\C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001143945135 804912594 /nfs/dbraw/zinc/91/25/94/804912594.db2.gz RFLVYENQHSDYFG-YCRREMRBSA-N -1 3 290.750 3.176 20 10 CGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc2c(c1)CCC2 ZINC001153255873 805390747 /nfs/dbraw/zinc/39/07/47/805390747.db2.gz KGGQSOXZYDXVTK-LLVKDONJSA-N -1 3 297.354 3.078 20 10 CGCDHM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC001292766447 809437083 /nfs/dbraw/zinc/43/70/83/809437083.db2.gz MACMENULSIHFGP-JSGCOSHPSA-N -1 3 291.391 3.433 20 10 CGCDHM CCCOC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001194139470 811019579 /nfs/dbraw/zinc/01/95/79/811019579.db2.gz MABGOYAVKRDTQE-UHFFFAOYSA-N -1 3 294.738 3.230 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCC(F)(F)[C@H](F)C1 ZINC001203651605 812416248 /nfs/dbraw/zinc/41/62/48/812416248.db2.gz ROVHPCOOMHBUEL-LLVKDONJSA-N -1 3 279.689 3.225 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CC(Cc2cccs2)C1 ZINC001207026302 813467002 /nfs/dbraw/zinc/46/70/02/813467002.db2.gz NKWAZKQMBPILMQ-UHFFFAOYSA-N -1 3 295.354 3.406 20 10 CGCDHM CC(C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937504 817759446 /nfs/dbraw/zinc/75/94/46/817759446.db2.gz LUBKXJJJHVLJPZ-UHFFFAOYSA-N -1 3 272.300 3.116 20 10 CGCDHM C[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])[C@@H]1CCc2ccccc21 ZINC001231569166 818124893 /nfs/dbraw/zinc/12/48/93/818124893.db2.gz UKBYSWDELSHVSB-MRXNPFEDSA-N -1 3 297.354 3.210 20 10 CGCDHM C[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])[C@@H]1CCc2ccccc21 ZINC001231569166 818124900 /nfs/dbraw/zinc/12/49/00/818124900.db2.gz UKBYSWDELSHVSB-MRXNPFEDSA-N -1 3 297.354 3.210 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@H](F)C[C@H]2C)cc1Cl ZINC001231869255 818193476 /nfs/dbraw/zinc/19/34/76/818193476.db2.gz NSDZXDWZNWSWHM-MWLCHTKSSA-N -1 3 257.736 3.286 20 10 CGCDHM [O-]c1c(CN2C[C@@H](F)[C@@H](F)C2)ccc2ccccc21 ZINC001231879209 818197152 /nfs/dbraw/zinc/19/71/52/818197152.db2.gz ACRRDBFYXTUBCT-OKILXGFUSA-N -1 3 263.287 3.037 20 10 CGCDHM CN(Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1[O-] ZINC001233073727 818517656 /nfs/dbraw/zinc/51/76/56/818517656.db2.gz CHGGJGZXOXUBQX-UHFFFAOYSA-N -1 3 281.277 3.442 20 10 CGCDHM CN(CCOc1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233334774 818583809 /nfs/dbraw/zinc/58/38/09/818583809.db2.gz SOLJSGFRBJMPCZ-UHFFFAOYSA-N -1 3 293.313 3.181 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@H]1c1ccccn1 ZINC001233334753 818586116 /nfs/dbraw/zinc/58/61/16/818586116.db2.gz RZPWQZSMUXTUSN-AWEZNQCLSA-N -1 3 290.313 3.403 20 10 CGCDHM COC[C@H]1CCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237077712 819660344 /nfs/dbraw/zinc/66/03/44/819660344.db2.gz JRCBZSZHKHDZAL-SECBINFHSA-N -1 3 290.190 3.310 20 10 CGCDHM COC[C@@H]1CCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237077713 819660833 /nfs/dbraw/zinc/66/08/33/819660833.db2.gz JRCBZSZHKHDZAL-VIFPVBQESA-N -1 3 290.190 3.310 20 10 CGCDHM CO[C@@H](C)C1CN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237085737 819663934 /nfs/dbraw/zinc/66/39/34/819663934.db2.gz HGCBUDNBXWSZBV-QMMMGPOBSA-N -1 3 290.190 3.166 20 10 CGCDHM C[C@@H]1C[C@@H](O)CCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237084821 819664014 /nfs/dbraw/zinc/66/40/14/819664014.db2.gz OAJHCQQAZIRYRA-BDAKNGLRSA-N -1 3 290.190 3.044 20 10 CGCDHM CC(C)O[C@@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237800763 819846504 /nfs/dbraw/zinc/84/65/04/819846504.db2.gz BZKFKTUKENAGMM-GFCCVEGCSA-N -1 3 287.762 3.184 20 10 CGCDHM COC[C@@H]1CCCCN1Cc1cc(F)cc(Cl)c1[O-] ZINC001237809038 819846973 /nfs/dbraw/zinc/84/69/73/819846973.db2.gz YQHWPRCHDAFQFG-LBPRGKRZSA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@]2(C1)CCCCO2 ZINC001237808646 819848843 /nfs/dbraw/zinc/84/88/43/819848843.db2.gz VLSXEUCIYOVFLL-HNNXBMFYSA-N -1 3 299.773 3.330 20 10 CGCDHM CC(C)O[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237945330 819887390 /nfs/dbraw/zinc/88/73/90/819887390.db2.gz YQNUQTLXRYLHHF-LLVKDONJSA-N -1 3 287.762 3.184 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CNC/C=C/Cl ZINC001461807730 937598149 /nfs/dbraw/zinc/59/81/49/937598149.db2.gz YZUSJEGHPPEALR-DAFODLJHSA-N -1 3 250.100 3.027 20 10 CGCDHM Cc1cccc(Cl)c1C(=O)NCc1c([O-])cccc1F ZINC001558454241 938215591 /nfs/dbraw/zinc/21/55/91/938215591.db2.gz CGRQHOMIAXZWTI-UHFFFAOYSA-N -1 3 293.725 3.423 20 10 CGCDHM CSCCCCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599799293 988148564 /nfs/dbraw/zinc/14/85/64/988148564.db2.gz CFVFZEBENYMIPW-LLVKDONJSA-N -1 3 297.420 3.274 20 10 CGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@H]1CF ZINC000294034478 372561092 /nfs/dbraw/zinc/56/10/92/372561092.db2.gz OMYJKHDWJOFHJJ-NSHDSACASA-N -1 3 288.160 3.089 20 10 CGCDHM CO[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000294743615 372670923 /nfs/dbraw/zinc/67/09/23/372670923.db2.gz QYKLCZMCYWCMBN-MWLCHTKSSA-N -1 3 287.762 3.184 20 10 CGCDHM CCn1cc([C@H](C)NCc2cc(Cl)c(F)cc2[O-])cn1 ZINC000294825777 372675016 /nfs/dbraw/zinc/67/50/16/372675016.db2.gz KZGCXFRDXDUTGU-VIFPVBQESA-N -1 3 297.761 3.252 20 10 CGCDHM Cc1ccc2c(c1)N(C(=O)c1ccc(C)c(O)c1[O-])CCC2 ZINC000182422712 374271992 /nfs/dbraw/zinc/27/19/92/374271992.db2.gz BABFKQHVQIKLIF-UHFFFAOYSA-N -1 3 297.354 3.308 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CC(Cc2ccco2)C1 ZINC000529649315 375931962 /nfs/dbraw/zinc/93/19/62/375931962.db2.gz RARMAFKXCNZMTL-UHFFFAOYSA-N -1 3 277.751 3.313 20 10 CGCDHM C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1cc(Cl)ccc1[O-] ZINC000363866768 382259501 /nfs/dbraw/zinc/25/95/01/382259501.db2.gz PGGUNZRGEGBLEW-TVQRCGJNSA-N -1 3 291.782 3.497 20 10 CGCDHM Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)c([O-])c1O ZINC000179416950 392699651 /nfs/dbraw/zinc/69/96/51/392699651.db2.gz IXVDYMAXWAAJED-MFKMUULPSA-N -1 3 277.364 3.057 20 10 CGCDHM CCc1cnc(CN(C)Cc2ccccc2[O-])s1 ZINC000179582715 392703629 /nfs/dbraw/zinc/70/36/29/392703629.db2.gz CYSDVCKWSWVYGL-UHFFFAOYSA-N -1 3 262.378 3.043 20 10 CGCDHM O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cc([O-])cs1 ZINC000743712526 572680530 /nfs/dbraw/zinc/68/05/30/572680530.db2.gz ROVKWOZMFIJRAQ-OUAUKWLOSA-N -1 3 265.378 3.152 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@@H]1c1ccco1 ZINC000369773541 267265459 /nfs/dbraw/zinc/26/54/59/267265459.db2.gz QAIGEAHPPIXJAW-CYBMUJFWSA-N -1 3 293.750 3.212 20 10 CGCDHM O=C(Nc1cccc(-c2cnco2)c1)c1cccc(O)c1[O-] ZINC000186979639 329352514 /nfs/dbraw/zinc/35/25/14/329352514.db2.gz CYVJMJBOCSBOEJ-UHFFFAOYSA-N -1 3 296.282 3.005 20 10 CGCDHM CCCc1nc(C)c(CNCc2cccc(F)c2[O-])o1 ZINC000292835846 521496304 /nfs/dbraw/zinc/49/63/04/521496304.db2.gz RSRDEOXYDFGJAO-UHFFFAOYSA-N -1 3 278.327 3.070 20 10 CGCDHM CCc1nnc(CN[C@H](CC)c2ccc(C)cc2[O-])s1 ZINC000290097404 522748824 /nfs/dbraw/zinc/74/88/24/522748824.db2.gz HSPVFABLGACDMT-GFCCVEGCSA-N -1 3 291.420 3.355 20 10 CGCDHM Cc1ccc(CN[C@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000276979904 524605269 /nfs/dbraw/zinc/60/52/69/524605269.db2.gz VTJQFWRCSJSQNF-SNVBAGLBSA-N -1 3 278.302 3.225 20 10 CGCDHM C[C@@H](N[C@@H](CO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000276854528 525627035 /nfs/dbraw/zinc/62/70/35/525627035.db2.gz BKUHVYAMNZALLA-YGRLFVJLSA-N -1 3 293.313 3.055 20 10 CGCDHM Cc1nc(C2(NCc3ccccc3[O-])CCCCC2)no1 ZINC000263683463 526769527 /nfs/dbraw/zinc/76/95/27/526769527.db2.gz NFBNSKQTTVBTGY-UHFFFAOYSA-N -1 3 287.363 3.033 20 10 CGCDHM COc1cccc([O-])c1CNCc1c(C)cccc1F ZINC000742380120 572351958 /nfs/dbraw/zinc/35/19/58/572351958.db2.gz ABYGHWQAVCNPQE-UHFFFAOYSA-N -1 3 275.323 3.138 20 10 CGCDHM CC[C@@H](OC(=O)c1cc([O-])cs1)C(=O)c1ccccc1 ZINC000738652746 572385158 /nfs/dbraw/zinc/38/51/58/572385158.db2.gz YKSHVCVOPALKBD-GFCCVEGCSA-N -1 3 290.340 3.272 20 10 CGCDHM CC1CCC(N(C)C(=O)c2cc([O-])cs2)CC1 ZINC000732257828 572457874 /nfs/dbraw/zinc/45/78/74/572457874.db2.gz FDDZACHBWYVUHD-UHFFFAOYSA-N -1 3 253.367 3.104 20 10 CGCDHM O=C(NC1CC(c2ccccc2)C1)c1cc([O-])cs1 ZINC000732285647 572458236 /nfs/dbraw/zinc/45/82/36/572458236.db2.gz DEHWBPCNKATWMB-UHFFFAOYSA-N -1 3 273.357 3.130 20 10 CGCDHM CCCN(Cc1ccccc1O)C(=O)c1cc([O-])cs1 ZINC000732283535 572458297 /nfs/dbraw/zinc/45/82/97/572458297.db2.gz MJHWCKALLFMOHH-UHFFFAOYSA-N -1 3 291.372 3.212 20 10 CGCDHM COc1ccc(CN(C)C(=O)c2cc([O-])cs2)cc1C ZINC000732286323 572458816 /nfs/dbraw/zinc/45/88/16/572458816.db2.gz QVVCOGVXGFBHHJ-UHFFFAOYSA-N -1 3 291.372 3.043 20 10 CGCDHM [O-]c1cccc(Cl)c1CNCc1ccc(Cl)nc1 ZINC000733324815 572555332 /nfs/dbraw/zinc/55/53/32/572555332.db2.gz DPTSWANKJIWAIF-UHFFFAOYSA-N -1 3 283.158 3.384 20 10 CGCDHM [O-]c1ccc(-c2ccccc2)cc1CNCc1cc[nH]n1 ZINC000742370256 572568016 /nfs/dbraw/zinc/56/80/16/572568016.db2.gz YXYLEYYTIXPKIT-UHFFFAOYSA-N -1 3 279.343 3.072 20 10 CGCDHM CCCN(Cc1nnc(C2CC2)o1)Cc1ccccc1[O-] ZINC000743870066 572695026 /nfs/dbraw/zinc/69/50/26/572695026.db2.gz GRIIYLLHPXORLV-UHFFFAOYSA-N -1 3 287.363 3.065 20 10 CGCDHM CC(C)(CNC(=O)c1cc([O-])cs1)Cc1ccccc1 ZINC000735329217 572715291 /nfs/dbraw/zinc/71/52/91/572715291.db2.gz BGNWWGDKKNVKMR-UHFFFAOYSA-N -1 3 289.400 3.452 20 10 CGCDHM CCS[C@H]1CCCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000750251536 573105163 /nfs/dbraw/zinc/10/51/63/573105163.db2.gz SDWSDIBPGRFJDM-MNOVXSKESA-N -1 3 285.434 3.248 20 10 CGCDHM C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C(C)(C)C(=O)[O-] ZINC000833694833 604627699 /nfs/dbraw/zinc/62/76/99/604627699.db2.gz RSZMXNSJYLNTFY-UHFFFAOYSA-N -1 3 299.370 3.354 20 10 CGCDHM C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C(C)(C)C(=O)[O-] ZINC000833694833 604627700 /nfs/dbraw/zinc/62/77/00/604627700.db2.gz RSZMXNSJYLNTFY-UHFFFAOYSA-N -1 3 299.370 3.354 20 10 CGCDHM Clc1cnc(Sc2cccc(-c3nn[n-]n3)c2)s1 ZINC000826354020 609213771 /nfs/dbraw/zinc/21/37/71/609213771.db2.gz MXGPUNCURATQOR-UHFFFAOYSA-N -1 3 295.780 3.128 20 10 CGCDHM Clc1cnc(Sc2cccc(-c3nnn[n-]3)c2)s1 ZINC000826354020 609213769 /nfs/dbraw/zinc/21/37/69/609213769.db2.gz MXGPUNCURATQOR-UHFFFAOYSA-N -1 3 295.780 3.128 20 10 CGCDHM COc1cc(NCc2cccc(F)c2[O-])ccc1F ZINC000083480734 618008605 /nfs/dbraw/zinc/00/86/05/618008605.db2.gz IROZHUMVGFAVPF-UHFFFAOYSA-N -1 3 265.259 3.291 20 10 CGCDHM C[C@@H](NCc1nnc(C2CC2)s1)c1ccc(F)cc1[O-] ZINC000840891622 618920466 /nfs/dbraw/zinc/92/04/66/618920466.db2.gz RIFUHKBRESCPLB-MRVPVSSYSA-N -1 3 293.367 3.111 20 10 CGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000189432438 619092296 /nfs/dbraw/zinc/09/22/96/619092296.db2.gz JTGBJTRJQVRSOA-UHFFFAOYSA-N -1 3 291.372 3.064 20 10 CGCDHM Cc1ncsc1CN(C)Cc1cc(F)cc(F)c1[O-] ZINC000893999238 619348548 /nfs/dbraw/zinc/34/85/48/619348548.db2.gz AWBMHABWMUXZQO-UHFFFAOYSA-N -1 3 284.331 3.067 20 10 CGCDHM CC1(C)CC=C(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928704865 620207570 /nfs/dbraw/zinc/20/75/70/620207570.db2.gz ACYMZMZEGMDLEK-UHFFFAOYSA-N -1 3 277.339 3.284 20 10 CGCDHM [O-]c1ccccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000164476453 622837263 /nfs/dbraw/zinc/83/72/63/622837263.db2.gz ANLDRUGQDISPRE-UHFFFAOYSA-N -1 3 263.724 3.041 20 10 CGCDHM Cc1ccc(C(=O)Nc2cc(F)c(F)cc2F)c([O-])c1O ZINC000179481717 624658811 /nfs/dbraw/zinc/65/88/11/624658811.db2.gz OWEHDPNLPOVZKX-UHFFFAOYSA-N -1 3 297.232 3.076 20 10 CGCDHM C[C@@H](NCc1ccc(Cl)o1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756790621 626732748 /nfs/dbraw/zinc/73/27/48/626732748.db2.gz PNRUTOVNCRTWSD-MRVPVSSYSA-N -1 3 296.710 3.398 20 10 CGCDHM C/C=C/C[C@@H](NCc1cc(Cl)ccc1[O-])C(=O)OCC ZINC000763361910 627153835 /nfs/dbraw/zinc/15/38/35/627153835.db2.gz NEMJXNVGQGMDSQ-MASHWEEQSA-N -1 3 297.782 3.033 20 10 CGCDHM C[C@@H](N[C@H](CCO)c1ccco1)c1cc(F)cc(F)c1[O-] ZINC000769418524 627550647 /nfs/dbraw/zinc/55/06/47/627550647.db2.gz RZWSWLZWTWWKQB-NOZJJQNGSA-N -1 3 297.301 3.038 20 10 CGCDHM CC(C)[C@H]1CN(C(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000773778462 627914767 /nfs/dbraw/zinc/91/47/67/627914767.db2.gz XXNUBQYPCILEBA-CQSZACIVSA-N -1 3 297.354 3.498 20 10 CGCDHM Cc1ccc(C(=O)N2C[C@@H](C)Cc3ccccc32)c([O-])c1O ZINC000780931405 628525242 /nfs/dbraw/zinc/52/52/42/628525242.db2.gz JBJKSBJVJCWXIP-NSHDSACASA-N -1 3 297.354 3.245 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1Cn1cnc2c1CCCC2 ZINC000862431704 629371768 /nfs/dbraw/zinc/37/17/68/629371768.db2.gz QPRNGFJOILCIHE-UHFFFAOYSA-N -1 3 280.730 3.308 20 10 CGCDHM CO[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)[C@H](C)C1 ZINC000799736144 630228256 /nfs/dbraw/zinc/22/82/56/630228256.db2.gz IMHZNPZMNATQNN-NXEZZACHSA-N -1 3 287.762 3.184 20 10 CGCDHM O=C1OCc2c1cccc2NCc1c([O-])cccc1Cl ZINC000809791338 630811046 /nfs/dbraw/zinc/81/10/46/630811046.db2.gz KCDKKMIEYITFSW-UHFFFAOYSA-N -1 3 289.718 3.328 20 10 CGCDHM Cc1cccc(CNCc2cc(Cl)c(F)cc2[O-])n1 ZINC000816535253 632006054 /nfs/dbraw/zinc/00/60/54/632006054.db2.gz KDEMVWZXWMDKGM-UHFFFAOYSA-N -1 3 280.730 3.178 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1cccc(F)n1 ZINC000816557836 632011943 /nfs/dbraw/zinc/01/19/43/632011943.db2.gz DCVDJSHONWGABK-UHFFFAOYSA-N -1 3 284.693 3.009 20 10 CGCDHM CN(Cc1c(F)ccc([O-])c1F)c1ccc2c(c1)OCO2 ZINC000816566359 632014485 /nfs/dbraw/zinc/01/44/85/632014485.db2.gz SGTFBDKRSLUTBB-UHFFFAOYSA-N -1 3 293.269 3.036 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@H]1CC1CCC1 ZINC000816667067 632042220 /nfs/dbraw/zinc/04/22/20/632042220.db2.gz BWFGBTXQQQPKCP-OAHLLOKOSA-N -1 3 295.810 3.437 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CC(CC(F)F)C1 ZINC000822520929 632960450 /nfs/dbraw/zinc/96/04/50/632960450.db2.gz RZHINYCHWJYXTH-UHFFFAOYSA-N -1 3 261.699 3.133 20 10 CGCDHM CCc1ncc(CNCc2c([O-])ccc(Cl)c2F)o1 ZINC000825078762 633325870 /nfs/dbraw/zinc/32/58/70/633325870.db2.gz CKVANQYLPRJTNZ-UHFFFAOYSA-N -1 3 284.718 3.025 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@]2(CCOC2)C1 ZINC000825134294 633331898 /nfs/dbraw/zinc/33/18/98/633331898.db2.gz XZWFTCFKCDBMKG-OAHLLOKOSA-N -1 3 299.773 3.187 20 10 CGCDHM Cc1noc([C@@H](C)N(C)Cc2cc(Cl)c(C)cc2[O-])n1 ZINC000826535415 633411628 /nfs/dbraw/zinc/41/16/28/633411628.db2.gz WKXXXSRMSACVLP-SECBINFHSA-N -1 3 295.770 3.238 20 10 CGCDHM C[C@H]1CCN(C(=O)C2=CC(=O)CS2)c2c([O-])cccc21 ZINC000832290119 634042516 /nfs/dbraw/zinc/04/25/16/634042516.db2.gz MWLKHDGUNSFMPR-VIFPVBQESA-N -1 3 289.356 3.313 20 10 CGCDHM CC[C@@H](N[C@@H]1CCn2ccnc21)c1cccc(Cl)c1[O-] ZINC000834830765 634250773 /nfs/dbraw/zinc/25/07/73/634250773.db2.gz GWGLXXDCTNWARW-CHWSQXEVSA-N -1 3 291.782 3.428 20 10 CGCDHM COc1ccc(Cl)cc1NC(=O)c1cccc(O)c1[O-] ZINC000126209720 634919853 /nfs/dbraw/zinc/91/98/53/634919853.db2.gz IVLUBURIZBQYNH-UHFFFAOYSA-N -1 3 293.706 3.012 20 10 CGCDHM CCc1nc(CN[C@H](C)c2ccc(Cl)cc2[O-])co1 ZINC000841759303 635233032 /nfs/dbraw/zinc/23/30/32/635233032.db2.gz YJUPMSHDWGIIDO-SECBINFHSA-N -1 3 280.755 3.447 20 10 CGCDHM CC(C)O[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843414288 635661875 /nfs/dbraw/zinc/66/18/75/635661875.db2.gz ZEKIZSWTMHOCRP-SNVBAGLBSA-N -1 3 287.762 3.184 20 10 CGCDHM O=C(N[C@@H](C(F)F)C1CCCCC1)c1cccc(O)c1[O-] ZINC000857741920 638562035 /nfs/dbraw/zinc/56/20/35/638562035.db2.gz QKMJQZMVDNDAEL-GFCCVEGCSA-N -1 3 299.317 3.042 20 10 CGCDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)sc1C ZINC001156164077 805660761 /nfs/dbraw/zinc/66/07/61/805660761.db2.gz MFEIJCOXZKOCKX-UHFFFAOYSA-N -1 3 279.336 3.140 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)C(C1CCC1)C1CCC1 ZINC001156170191 805661889 /nfs/dbraw/zinc/66/18/89/805661889.db2.gz ILYNPQJCTCEUCX-UHFFFAOYSA-N -1 3 291.366 3.364 20 10 CGCDHM Cc1ccc(C(=O)Nc2c[nH]c3ccccc23)c([O-])c1O ZINC001157066581 805772437 /nfs/dbraw/zinc/77/24/37/805772437.db2.gz GNSHRWIHFJOJNQ-UHFFFAOYSA-N -1 3 282.299 3.140 20 10 CGCDHM CC[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@H](CC)O1 ZINC000398721958 799533337 /nfs/dbraw/zinc/53/33/37/799533337.db2.gz IXENKDJRQLALBD-CHWSQXEVSA-N -1 3 283.799 3.435 20 10 CGCDHM [O-]c1cccc(Br)c1CN1CCC[C@H](F)C1 ZINC000707155905 799973294 /nfs/dbraw/zinc/97/32/94/799973294.db2.gz RGHUOSQCVJDPAQ-VIFPVBQESA-N -1 3 288.160 3.089 20 10 CGCDHM C[C@@H](NCc1nc2c(s1)CCC2)c1ccc(F)cc1[O-] ZINC000719582790 800244841 /nfs/dbraw/zinc/24/48/41/800244841.db2.gz MPWKASRGEHOJKY-SECBINFHSA-N -1 3 292.379 3.327 20 10 CGCDHM COc1ccccc1CN(C)Cc1c([O-])cccc1F ZINC001137837667 803780201 /nfs/dbraw/zinc/78/02/01/803780201.db2.gz QIAAJNFAJLIMOJ-UHFFFAOYSA-N -1 3 275.323 3.172 20 10 CGCDHM Cc1ccc2c(c1)CCN(Cc1c([O-])cccc1F)C2 ZINC001137841319 803781458 /nfs/dbraw/zinc/78/14/58/803781458.db2.gz ADFZSLLMRQTFRC-UHFFFAOYSA-N -1 3 271.335 3.398 20 10 CGCDHM [O-]c1c(F)ccc(F)c1CN1CC2(C1)CCCCC2 ZINC001139686151 804254613 /nfs/dbraw/zinc/25/46/13/804254613.db2.gz PJKYWCULAHBBKF-UHFFFAOYSA-N -1 3 267.319 3.437 20 10 CGCDHM CN(Cc1nccs1)Cc1ccc(Cl)cc1[O-] ZINC001140465039 804444016 /nfs/dbraw/zinc/44/40/16/804444016.db2.gz FWQKISNKRHRSEL-UHFFFAOYSA-N -1 3 268.769 3.134 20 10 CGCDHM CN(Cc1cccs1)Cc1ccc(F)c(F)c1[O-] ZINC001179892502 809955265 /nfs/dbraw/zinc/95/52/65/809955265.db2.gz JRAUNFXYVYHYRR-UHFFFAOYSA-N -1 3 269.316 3.364 20 10 CGCDHM CCOc1ccc(-c2noc(-c3cccc(O)c3[O-])n2)cc1 ZINC001215145688 815488601 /nfs/dbraw/zinc/48/86/01/815488601.db2.gz CEAUNCVGQJGOEK-UHFFFAOYSA-N -1 3 298.298 3.214 20 10 CGCDHM CC(=O)c1ccccc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215145704 815489193 /nfs/dbraw/zinc/48/91/93/815489193.db2.gz CYGOFNGEKPYOMU-UHFFFAOYSA-N -1 3 296.282 3.017 20 10 CGCDHM COc1cccc(F)c1CNCc1c([O-])cccc1Cl ZINC001203856472 812475105 /nfs/dbraw/zinc/47/51/05/812475105.db2.gz JXVAJYLRCKCVAA-UHFFFAOYSA-N -1 3 295.741 3.483 20 10 CGCDHM CC[N@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccccc1[O-] ZINC001231467568 818104905 /nfs/dbraw/zinc/10/49/05/818104905.db2.gz YWEKPGCYNQZMRH-UHFFFAOYSA-N -1 3 291.372 3.174 20 10 CGCDHM CC[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccccc1[O-] ZINC001231467568 818104911 /nfs/dbraw/zinc/10/49/11/818104911.db2.gz YWEKPGCYNQZMRH-UHFFFAOYSA-N -1 3 291.372 3.174 20 10 CGCDHM Cc1ncccc1CN(C)Cc1cccc(Cl)c1[O-] ZINC001231914211 818212726 /nfs/dbraw/zinc/21/27/26/818212726.db2.gz ICQYDNNDZSSHLY-UHFFFAOYSA-N -1 3 276.767 3.381 20 10 CGCDHM Cc1ncccc1CN(C)Cc1ccc(F)c(F)c1[O-] ZINC001233078973 818519421 /nfs/dbraw/zinc/51/94/21/818519421.db2.gz QJADAPGHZUUOHS-UHFFFAOYSA-N -1 3 278.302 3.006 20 10 CGCDHM CCN(Cc1ccccn1)Cc1c([O-])ccc(F)c1F ZINC001233335341 818584517 /nfs/dbraw/zinc/58/45/17/818584517.db2.gz QUHWHADJMAZZOA-UHFFFAOYSA-N -1 3 278.302 3.088 20 10 CGCDHM [O-]c1c(CN2CC3(CCC3)C2)cccc1C(F)(F)F ZINC001233416759 818615788 /nfs/dbraw/zinc/61/57/88/818615788.db2.gz VJRWORDPTORFBS-UHFFFAOYSA-N -1 3 271.282 3.397 20 10 CGCDHM Cc1cc([O-])c(CN(C)CC(F)F)cc1Br ZINC001237686062 819807275 /nfs/dbraw/zinc/80/72/75/819807275.db2.gz SUFXJFWBDZVQIA-UHFFFAOYSA-N -1 3 294.139 3.160 20 10 CGCDHM CCO[C@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237815184 819849537 /nfs/dbraw/zinc/84/95/37/819849537.db2.gz WVWKWLPKZCBXPJ-LBPRGKRZSA-N -1 3 287.762 3.186 20 10 CGCDHM CSc1ccccc1C(=O)NCc1c([O-])cccc1F ZINC001456108794 937425547 /nfs/dbraw/zinc/42/55/47/937425547.db2.gz WSORRLDYHZBACB-UHFFFAOYSA-N -1 3 291.347 3.183 20 10 CGCDHM Cc1cccn2cc(C(=O)NCc3c([O-])cccc3F)cc12 ZINC001303875755 932734730 /nfs/dbraw/zinc/73/47/30/932734730.db2.gz NTAIKNUUNOXWMP-UHFFFAOYSA-N -1 3 298.317 3.022 20 10 CGCDHM C[C@H](C(=O)NCc1c([O-])cccc1F)c1cccs1 ZINC001303877780 932836830 /nfs/dbraw/zinc/83/68/30/932836830.db2.gz GXALULVCURAMOK-VIFPVBQESA-N -1 3 279.336 3.013 20 10 CGCDHM Cc1cc2c(cc1NCc1cccc(F)c1[O-])OCO2 ZINC001308681871 933157308 /nfs/dbraw/zinc/15/73/08/933157308.db2.gz IAWBEEJAANYRPE-UHFFFAOYSA-N -1 3 275.279 3.181 20 10 CGCDHM C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1[O-] ZINC001308902705 933199517 /nfs/dbraw/zinc/19/95/17/933199517.db2.gz TWTGCXRZQRBOPG-SECBINFHSA-N -1 3 279.286 3.227 20 10 CGCDHM Cc1cc(=O)[n-]c(C=Cc2ccc(N3CCCC3)cc2)n1 ZINC001324708009 934552872 /nfs/dbraw/zinc/55/28/72/934552872.db2.gz SCMOYOTYTQYKLO-TWGQIWQCSA-N -1 3 281.359 3.261 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CC2(C1)CCCC2 ZINC001331567246 935394789 /nfs/dbraw/zinc/39/47/89/935394789.db2.gz HCCHXFJAYFCSIG-UHFFFAOYSA-N -1 3 253.292 3.046 20 10 CGCDHM CCN(Cc1ccoc1)Cc1cc(F)c(F)cc1[O-] ZINC001474311007 937850404 /nfs/dbraw/zinc/85/04/04/937850404.db2.gz CDOXEDFEYKBGPM-UHFFFAOYSA-N -1 3 267.275 3.286 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CC(c2ccc(F)cc2)C1 ZINC001474567167 937867648 /nfs/dbraw/zinc/86/76/48/937867648.db2.gz AOYYVRLYVQFIAY-UHFFFAOYSA-N -1 3 293.288 3.409 20 10 CGCDHM O=[N+]([O-])c1ccccc1NCc1c([O-])cccc1F ZINC001559284799 938224389 /nfs/dbraw/zinc/22/43/89/938224389.db2.gz QNQKCNSBLWVYLR-UHFFFAOYSA-N -1 3 262.240 3.052 20 10 CGCDHM [O-]c1cccc(F)c1CNc1nc(C2CC2)nc2c1CCC2 ZINC001559284751 938224432 /nfs/dbraw/zinc/22/44/32/938224432.db2.gz PFBLOQLKYQAECQ-UHFFFAOYSA-N -1 3 299.349 3.300 20 10 CGCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001563432155 938302492 /nfs/dbraw/zinc/30/24/92/938302492.db2.gz KHFXNVMVSSTGIP-NSHDSACASA-N -1 3 288.322 3.092 20 10 CGCDHM C[C@H]([NH2+]CC1(C)CCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248646 994472056 /nfs/dbraw/zinc/47/20/56/994472056.db2.gz KMMFHZXQLADGTK-NSHDSACASA-N -1 3 277.364 3.321 20 10 CGCDHM C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594261622 999010689 /nfs/dbraw/zinc/01/06/89/999010689.db2.gz OMUNSPWTCMIHAW-JFGNBEQYSA-N -1 3 295.404 3.025 20 10 CGCDHM CCCc1nc(CN(C)Cc2ccccc2[O-])cs1 ZINC000114721362 370508156 /nfs/dbraw/zinc/50/81/56/370508156.db2.gz YXPLULTUVWHOGL-UHFFFAOYSA-N -1 3 276.405 3.433 20 10 CGCDHM CCc1nc(C)c(CN[C@H](C)c2ccc(F)cc2[O-])o1 ZINC000291974953 372178902 /nfs/dbraw/zinc/17/89/02/372178902.db2.gz UOCXTPZTHHOVIH-SECBINFHSA-N -1 3 278.327 3.241 20 10 CGCDHM COCCN(Cc1ccco1)Cc1cccc(Cl)c1[O-] ZINC000179739935 373912169 /nfs/dbraw/zinc/91/21/69/373912169.db2.gz RTCQRASQWLKQRE-UHFFFAOYSA-N -1 3 295.766 3.287 20 10 CGCDHM Cc1ccc(C(=O)N(C(C)C)C2CCCC2)c([O-])c1O ZINC000182379046 374265268 /nfs/dbraw/zinc/26/52/68/374265268.db2.gz VMWGHOVRIKREOK-UHFFFAOYSA-N -1 3 277.364 3.199 20 10 CGCDHM C[C@@H](c1ccccn1)N(C)Cc1cc(F)ccc1[O-] ZINC000183676324 374440042 /nfs/dbraw/zinc/44/00/42/374440042.db2.gz WHWWZFJMDPYVIT-NSHDSACASA-N -1 3 260.312 3.119 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N(CC1CC1)C1CCCCC1 ZINC000188386493 375208678 /nfs/dbraw/zinc/20/86/78/375208678.db2.gz AQIGXHXUTLVUCP-UHFFFAOYSA-N -1 3 289.375 3.283 20 10 CGCDHM Cc1cnc([C@H](C)NCc2cc(F)ccc2[O-])s1 ZINC000226614332 376365691 /nfs/dbraw/zinc/36/56/91/376365691.db2.gz ZNWMRQIQOIMRFF-VIFPVBQESA-N -1 3 266.341 3.147 20 10 CGCDHM CCCCc1nnc(NCc2c([O-])cccc2Cl)o1 ZINC000271952419 378528167 /nfs/dbraw/zinc/52/81/67/378528167.db2.gz CEEAMDPDPRJGJC-UHFFFAOYSA-N -1 3 281.743 3.383 20 10 CGCDHM C[C@H](N[C@@H](C)c1cc(Cl)ccc1[O-])c1cnn(C)c1 ZINC000273551308 378751977 /nfs/dbraw/zinc/75/19/77/378751977.db2.gz GBUKKXNNJRXSJO-UWVGGRQHSA-N -1 3 279.771 3.191 20 10 CGCDHM CC(C)c1noc([C@@H](C)N(C)Cc2ccccc2[O-])n1 ZINC000109769827 392372857 /nfs/dbraw/zinc/37/28/57/392372857.db2.gz OAXYEUSSEBVBPR-LLVKDONJSA-N -1 3 275.352 3.092 20 10 CGCDHM Cc1ccc(C(=O)N2CCC3(C2)CCCCC3)c([O-])c1O ZINC000179518998 392702620 /nfs/dbraw/zinc/70/26/20/392702620.db2.gz KVNCLPZEYJZALL-UHFFFAOYSA-N -1 3 289.375 3.203 20 10 CGCDHM CC(C)CN(C(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC000126482894 260353441 /nfs/dbraw/zinc/35/34/41/260353441.db2.gz KIFWGFCOBQPALP-UHFFFAOYSA-N -1 3 277.364 3.139 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCCC[C@H]1c1cc[nH]n1 ZINC000377620429 329020977 /nfs/dbraw/zinc/02/09/77/329020977.db2.gz FSVCOVSMABXXHA-AWEZNQCLSA-N -1 3 291.782 3.496 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ncccc1F)c1ccccc1[O-] ZINC000528035886 330302758 /nfs/dbraw/zinc/30/27/58/330302758.db2.gz MUWWMGQMCDNGMB-MNOVXSKESA-N -1 3 260.312 3.338 20 10 CGCDHM CC(C)COC[C@H](NCc1ccccc1[O-])c1ccco1 ZINC000236630070 519757461 /nfs/dbraw/zinc/75/74/61/519757461.db2.gz WPUOUGLEPFUTGE-HNNXBMFYSA-N -1 3 289.375 3.489 20 10 CGCDHM CN(CCC1CCCCC1)C(=O)c1cccc(O)c1[O-] ZINC000187061125 522711441 /nfs/dbraw/zinc/71/14/41/522711441.db2.gz VYOTUHBHNCJGGX-UHFFFAOYSA-N -1 3 277.364 3.140 20 10 CGCDHM CCc1nnc(CNCc2cc(Cl)cc(C)c2[O-])s1 ZINC000290986760 522740955 /nfs/dbraw/zinc/74/09/55/522740955.db2.gz UPKRBGHPCXHCAD-UHFFFAOYSA-N -1 3 297.811 3.058 20 10 CGCDHM CCc1nnc(CN[C@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000290076133 522745255 /nfs/dbraw/zinc/74/52/55/522745255.db2.gz GMHRWHPZXGDWSV-MRVPVSSYSA-N -1 3 297.811 3.310 20 10 CGCDHM CCc1nnc(CN[C@H](CC)c2ccc(F)cc2[O-])s1 ZINC000290267500 522748392 /nfs/dbraw/zinc/74/83/92/522748392.db2.gz VUTRRVXKLDCROS-LLVKDONJSA-N -1 3 295.383 3.186 20 10 CGCDHM COCc1ccccc1CNCc1c([O-])cccc1Cl ZINC000083551665 523102759 /nfs/dbraw/zinc/10/27/59/523102759.db2.gz SXLQIBUTKOSMOK-UHFFFAOYSA-N -1 3 291.778 3.482 20 10 CGCDHM Cc1ccc(C[C@@H](C)N(C)C(=O)c2cc([O-])cs2)cc1 ZINC000738545945 572378430 /nfs/dbraw/zinc/37/84/30/572378430.db2.gz WHRSJMWEKZLMCA-GFCCVEGCSA-N -1 3 289.400 3.465 20 10 CGCDHM O=C(Nc1ccc2c(c1)CCC2)c1cc([O-])cs1 ZINC000731864981 572430299 /nfs/dbraw/zinc/43/02/99/572430299.db2.gz GPJRJPLHBNVHOM-UHFFFAOYSA-N -1 3 259.330 3.195 20 10 CGCDHM CSc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000731865615 572430555 /nfs/dbraw/zinc/43/05/55/572430555.db2.gz NIZDDTRNIIFTGN-UHFFFAOYSA-N -1 3 265.359 3.428 20 10 CGCDHM Cc1cc(C(=O)COC(=O)c2cc([O-])cs2)c(C)s1 ZINC000731911241 572435749 /nfs/dbraw/zinc/43/57/49/572435749.db2.gz HIPRLTVLEJSHHY-UHFFFAOYSA-N -1 3 296.369 3.172 20 10 CGCDHM COc1ccc(C)cc1COC(=O)c1cc([O-])cs1 ZINC000731912662 572436119 /nfs/dbraw/zinc/43/61/19/572436119.db2.gz XGJWUKAAKJDMMA-UHFFFAOYSA-N -1 3 278.329 3.128 20 10 CGCDHM CC[C@H](NC(=O)c1cc([O-])cs1)c1ccccc1OC ZINC000732270550 572455968 /nfs/dbraw/zinc/45/59/68/572455968.db2.gz XHFGEKNWWICZEJ-LBPRGKRZSA-N -1 3 291.372 3.343 20 10 CGCDHM C[C@@H]1CCC[C@H](N(C)C(=O)c2cc([O-])cs2)C1 ZINC000732268672 572455990 /nfs/dbraw/zinc/45/59/90/572455990.db2.gz JZVMJGOEQPULBU-ZJUUUORDSA-N -1 3 253.367 3.104 20 10 CGCDHM CC[C@H]1CCCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000732269914 572456089 /nfs/dbraw/zinc/45/60/89/572456089.db2.gz MDPOGCJXTABTMG-GXSJLCMTSA-N -1 3 253.367 3.152 20 10 CGCDHM [O-]c1ccc(-c2ccccc2)cc1CNCc1ncc[nH]1 ZINC000741160281 572486095 /nfs/dbraw/zinc/48/60/95/572486095.db2.gz OBMPIOARWRRQLX-UHFFFAOYSA-N -1 3 279.343 3.072 20 10 CGCDHM Cc1cccc([C@H](C)CNC(=O)c2cc([O-])cs2)c1 ZINC000741305129 572492219 /nfs/dbraw/zinc/49/22/19/572492219.db2.gz YXLYVNOFJUAGGG-LLVKDONJSA-N -1 3 275.373 3.296 20 10 CGCDHM C[C@@H](O)c1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000733325662 572556210 /nfs/dbraw/zinc/55/62/10/572556210.db2.gz RWHHVEXSSRPTML-LLVKDONJSA-N -1 3 291.778 3.389 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H](C2CCC2)C1 ZINC000840954850 619260462 /nfs/dbraw/zinc/26/04/62/619260462.db2.gz MJOWWOQXWXRIKX-OAHLLOKOSA-N -1 3 281.783 3.047 20 10 CGCDHM CC(C)Cn1ccnc1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000185545877 625374795 /nfs/dbraw/zinc/37/47/95/625374795.db2.gz ZLBDOFIPKGNMJO-LBPRGKRZSA-N -1 3 291.370 3.235 20 10 CGCDHM CCC[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000128173906 623527803 /nfs/dbraw/zinc/52/78/03/623527803.db2.gz DIPCXRIPDFIYMU-LLVKDONJSA-N -1 3 269.772 3.047 20 10 CGCDHM Cc1nc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])cs1 ZINC000756434183 626705809 /nfs/dbraw/zinc/70/58/09/626705809.db2.gz JFDCHQBSIQFNLW-ZETCQYMHSA-N -1 3 284.331 3.286 20 10 CGCDHM C[C@H](NCc1cccc(F)n1)c1cc(F)cc(F)c1[O-] ZINC000756769183 626730484 /nfs/dbraw/zinc/73/04/84/626730484.db2.gz OQRATXOROSNMFK-QMMMGPOBSA-N -1 3 282.265 3.055 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1ccc(C2CC2)nn1 ZINC000762652439 627119183 /nfs/dbraw/zinc/11/91/83/627119183.db2.gz PJKYQXKZWHUAJA-UHFFFAOYSA-N -1 3 275.739 3.325 20 10 CGCDHM COc1c([O-])c(CNc2ccccc2F)ccc1[N+](=O)[O-] ZINC000774927529 628050178 /nfs/dbraw/zinc/05/01/78/628050178.db2.gz HNXMIJCQPIKSRH-UHFFFAOYSA-N -1 3 292.266 3.060 20 10 CGCDHM Cc1ccc(C(=O)N2CCCc3c(C)cccc32)c([O-])c1O ZINC000780944998 628525567 /nfs/dbraw/zinc/52/55/67/628525567.db2.gz ZEWVXNSSJXSKMH-UHFFFAOYSA-N -1 3 297.354 3.308 20 10 CGCDHM Cc1cc(Br)c([O-])c(CN2CC=CCC2)c1 ZINC000781919550 628605175 /nfs/dbraw/zinc/60/51/75/628605175.db2.gz CJJUTTUXEDGABX-UHFFFAOYSA-N -1 3 282.181 3.225 20 10 CGCDHM CO[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1C ZINC000784666969 628828200 /nfs/dbraw/zinc/82/82/00/628828200.db2.gz CNEXOBMWKOKPHT-ZANVPECISA-N -1 3 287.762 3.042 20 10 CGCDHM CC1(C)Cc2cccc(NC(=O)c3cccc(O)c3[O-])c2O1 ZINC000789882584 629172043 /nfs/dbraw/zinc/17/20/43/629172043.db2.gz TUZGNFMWQVTWRJ-UHFFFAOYSA-N -1 3 299.326 3.064 20 10 CGCDHM CC[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000798965470 630131575 /nfs/dbraw/zinc/13/15/75/630131575.db2.gz YBDKOJUHNIWMKB-JTQLQIEISA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1ccc(Cl)nn1 ZINC000811837469 631125770 /nfs/dbraw/zinc/12/57/70/631125770.db2.gz STTBLJXRPFKCCA-UHFFFAOYSA-N -1 3 270.119 3.101 20 10 CGCDHM CCO[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816477591 631987519 /nfs/dbraw/zinc/98/75/19/631987519.db2.gz CSYFLLBWXZLUHX-NSHDSACASA-N -1 3 287.762 3.186 20 10 CGCDHM CN(Cc1ccccc1O)Cc1cccc([O-])c1Cl ZINC000816492907 631991996 /nfs/dbraw/zinc/99/19/96/631991996.db2.gz JDPQZIUSGKLMGO-UHFFFAOYSA-N -1 3 277.751 3.383 20 10 CGCDHM C[C@@]1(F)CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000824472838 633249729 /nfs/dbraw/zinc/24/97/29/633249729.db2.gz ZOVSORSOZGCLNQ-CYBMUJFWSA-N -1 3 257.736 3.370 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@]2(CCOC2)C1 ZINC000825134289 633331800 /nfs/dbraw/zinc/33/18/00/633331800.db2.gz XZWFTCFKCDBMKG-HNNXBMFYSA-N -1 3 299.773 3.187 20 10 CGCDHM COC[C@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000825293962 633342526 /nfs/dbraw/zinc/34/25/26/633342526.db2.gz FXCJSAKZBUDGBR-LLVKDONJSA-N -1 3 287.762 3.186 20 10 CGCDHM CC[C@@H](NCc1nn(C)cc1Cl)c1ccc(F)cc1[O-] ZINC000834881772 634264137 /nfs/dbraw/zinc/26/41/37/634264137.db2.gz AMYHEMXZPMVVQV-GFCCVEGCSA-N -1 3 297.761 3.159 20 10 CGCDHM CCc1ncc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000834901343 634277962 /nfs/dbraw/zinc/27/79/62/634277962.db2.gz ZZPGDYVUINZNTK-QMMMGPOBSA-N -1 3 282.290 3.072 20 10 CGCDHM O=C(Nc1ccc(Cl)c(F)c1)c1cccc(O)c1[O-] ZINC000126299591 634954632 /nfs/dbraw/zinc/95/46/32/634954632.db2.gz FGVILLDJHYOCDB-UHFFFAOYSA-N -1 3 281.670 3.143 20 10 CGCDHM COC[C@H](NCc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877033103 634957002 /nfs/dbraw/zinc/95/70/02/634957002.db2.gz WHGGXNDCOOEAJT-AWEZNQCLSA-N -1 3 293.313 3.148 20 10 CGCDHM C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877486034 635056282 /nfs/dbraw/zinc/05/62/82/635056282.db2.gz CLPNSUHTKFRPHH-CBAPKCEASA-N -1 3 295.251 3.443 20 10 CGCDHM CCn1cc(N[C@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841750524 635225803 /nfs/dbraw/zinc/22/58/03/635225803.db2.gz RPXOVHSMYNOAAG-SECBINFHSA-N -1 3 265.744 3.435 20 10 CGCDHM C[C@@H](NC1(c2ncccn2)CCC1)c1cc(F)ccc1[O-] ZINC000883311673 636662241 /nfs/dbraw/zinc/66/22/41/636662241.db2.gz ITWOBMLTNAWYJS-LLVKDONJSA-N -1 3 287.338 3.051 20 10 CGCDHM O=C(CC1=CCCCC1)NCc1c([O-])cccc1F ZINC000928712370 638889733 /nfs/dbraw/zinc/88/97/33/638889733.db2.gz SJELAABFVMVSCB-UHFFFAOYSA-N -1 3 263.312 3.038 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1c1ccccc1 ZINC000280420325 641035515 /nfs/dbraw/zinc/03/55/15/641035515.db2.gz IOKCUDFJALDHAG-HNNXBMFYSA-N -1 3 297.354 3.465 20 10 CGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CC2CCC1CC2 ZINC000381561219 799381530 /nfs/dbraw/zinc/38/15/30/799381530.db2.gz WMHLLBZULCIWDK-MLCFOIATSA-N -1 3 289.375 3.042 20 10 CGCDHM COc1ccc2c(c1)CN(Cc1cc(F)ccc1[O-])C2 ZINC000692921215 799803887 /nfs/dbraw/zinc/80/38/87/799803887.db2.gz MYRHUIJWLMGPJY-UHFFFAOYSA-N -1 3 273.307 3.056 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1cscn1 ZINC000697819374 799849338 /nfs/dbraw/zinc/84/93/38/799849338.db2.gz HWGHINZCABKWEU-DTWKUNHWSA-N -1 3 266.341 3.400 20 10 CGCDHM CC(C)(C)[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000709000167 800001765 /nfs/dbraw/zinc/00/17/65/800001765.db2.gz KUEYYCQKQBJGMD-CQSZACIVSA-N -1 3 283.799 3.293 20 10 CGCDHM [O-]c1cccc(F)c1CN1CC[C@H]1c1ccccc1 ZINC001137839119 803780991 /nfs/dbraw/zinc/78/09/91/803780991.db2.gz RRVMEKWBPBPGFH-HNNXBMFYSA-N -1 3 257.308 3.478 20 10 CGCDHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])CC1 ZINC001138507894 803953707 /nfs/dbraw/zinc/95/37/07/803953707.db2.gz MSPTWHQLIOCROI-CHWSQXEVSA-N -1 3 291.391 3.433 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCC[C@H]1C(F)(F)F ZINC001140057381 804365935 /nfs/dbraw/zinc/36/59/35/804365935.db2.gz DWOFIPYXVXERFE-NSHDSACASA-N -1 3 263.234 3.058 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCC(F)(F)[C@H](F)C1 ZINC001140338122 804417402 /nfs/dbraw/zinc/41/74/02/804417402.db2.gz VXOBRRBLMVDIGA-LLVKDONJSA-N -1 3 279.689 3.225 20 10 CGCDHM CN(Cc1cncs1)Cc1c([O-])cccc1Cl ZINC001140341964 804419351 /nfs/dbraw/zinc/41/93/51/804419351.db2.gz NJGGQJHIDDFGSO-UHFFFAOYSA-N -1 3 268.769 3.134 20 10 CGCDHM [O-]c1cc(F)cc(F)c1CN1CCC(C(F)F)CC1 ZINC001140583805 804467802 /nfs/dbraw/zinc/46/78/02/804467802.db2.gz SVPTZTUKWSAEGI-UHFFFAOYSA-N -1 3 277.261 3.148 20 10 CGCDHM Cc1cc2ccc(NC(=O)c3cccc(O)c3[O-])cc2[nH]1 ZINC001148218863 805167499 /nfs/dbraw/zinc/16/74/99/805167499.db2.gz KVOWPMNAVMOQJB-UHFFFAOYSA-N -1 3 282.299 3.140 20 10 CGCDHM Cc1cnc2c(c1)CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001203664541 812422847 /nfs/dbraw/zinc/42/28/47/812422847.db2.gz JSMRXSGRPFDCAO-UHFFFAOYSA-N -1 3 288.778 3.307 20 10 CGCDHM CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC001222526978 816461390 /nfs/dbraw/zinc/46/13/90/816461390.db2.gz IJNSOYBUBDXKJC-RISCZKNCSA-N -1 3 294.370 3.299 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001231565477 818123825 /nfs/dbraw/zinc/12/38/25/818123825.db2.gz XXYJVJCEXAQRFO-DOMZBBRYSA-N -1 3 289.375 3.245 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001231565477 818123829 /nfs/dbraw/zinc/12/38/29/818123829.db2.gz XXYJVJCEXAQRFO-DOMZBBRYSA-N -1 3 289.375 3.245 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC001231565479 818124785 /nfs/dbraw/zinc/12/47/85/818124785.db2.gz XXYJVJCEXAQRFO-SWLSCSKDSA-N -1 3 289.375 3.245 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC001231565479 818124787 /nfs/dbraw/zinc/12/47/87/818124787.db2.gz XXYJVJCEXAQRFO-SWLSCSKDSA-N -1 3 289.375 3.245 20 10 CGCDHM Cc1cc([O-])c(CN2CCOC[C@H]2C(C)C)cc1Cl ZINC001231870560 818194215 /nfs/dbraw/zinc/19/42/15/818194215.db2.gz IVEUZROHDABVIQ-AWEZNQCLSA-N -1 3 283.799 3.211 20 10 CGCDHM C[C@@H]1C[C@@H](F)CN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415911 818613145 /nfs/dbraw/zinc/61/31/45/818613145.db2.gz NYWGHHSRNHZMJY-PSASIEDQSA-N -1 3 277.261 3.343 20 10 CGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC[C@@H](O)CC1 ZINC001236793117 819597688 /nfs/dbraw/zinc/59/76/88/819597688.db2.gz HVSTZOAVJUNWRQ-SNVBAGLBSA-N -1 3 290.190 3.046 20 10 CGCDHM CC(C)O[C@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237804266 819843735 /nfs/dbraw/zinc/84/37/35/819843735.db2.gz BZKFKTUKENAGMM-LBPRGKRZSA-N -1 3 287.762 3.184 20 10 CGCDHM CC[C@@]1(C)CN(Cc2c([O-])cc(C)cc2Cl)CCO1 ZINC001462091846 937617684 /nfs/dbraw/zinc/61/76/84/937617684.db2.gz DJXKVDUBYISBQB-HNNXBMFYSA-N -1 3 283.799 3.355 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC001474546794 937866123 /nfs/dbraw/zinc/86/61/23/937866123.db2.gz PNECJYCGTHWHMC-CVEARBPZSA-N -1 3 293.794 3.189 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CC(c2ccc(F)cc2)C1 ZINC001474568273 937867517 /nfs/dbraw/zinc/86/75/17/937867517.db2.gz XZKAKVVZFDXCDK-UHFFFAOYSA-N -1 3 293.288 3.409 20 10 CGCDHM Cc1cc([O-])c(CN2CC(F)(F)C(F)(F)C2)c(Cl)c1 ZINC001474574508 937868150 /nfs/dbraw/zinc/86/81/50/937868150.db2.gz DLPZOFHZRVKXGI-UHFFFAOYSA-N -1 3 297.679 3.440 20 10 CGCDHM CC1(C)CCC(C)(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC001570371386 961949868 /nfs/dbraw/zinc/94/98/68/961949868.db2.gz YXXIBHHYBWUIOG-UHFFFAOYSA-N -1 3 291.391 3.434 20 10 CGCDHM Cc1ccc(N(C)C(=O)c2cccc(O)c2[O-])cc1Cl ZINC001585683369 963036219 /nfs/dbraw/zinc/03/62/19/963036219.db2.gz ZUZQZZSAPMPMAR-UHFFFAOYSA-N -1 3 291.734 3.336 20 10 CGCDHM C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219802 994304550 /nfs/dbraw/zinc/30/45/50/994304550.db2.gz OUMUTPUJZHTFLK-ZYHUDNBSSA-N -1 3 277.364 3.320 20 10 CGCDHM CC[C@@H](NCc1nccn1C)c1cccc(Cl)c1[O-] ZINC000287816002 371709373 /nfs/dbraw/zinc/70/93/73/371709373.db2.gz UXSGHIYMMVIDJO-GFCCVEGCSA-N -1 3 279.771 3.020 20 10 CGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@@H]1CF ZINC000294034475 372561158 /nfs/dbraw/zinc/56/11/58/372561158.db2.gz OMYJKHDWJOFHJJ-LLVKDONJSA-N -1 3 288.160 3.089 20 10 CGCDHM CC[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000294564240 372660473 /nfs/dbraw/zinc/66/04/73/372660473.db2.gz FZQIDDCLTSWVFY-NSHDSACASA-N -1 3 287.762 3.186 20 10 CGCDHM CC[C@H](NCc1nnc(C(C)C)[nH]1)c1ccc(F)cc1[O-] ZINC000296645206 373205718 /nfs/dbraw/zinc/20/57/18/373205718.db2.gz YJPHNEXPKXWCJM-LBPRGKRZSA-N -1 3 292.358 3.014 20 10 CGCDHM [O-]c1cccc2c1[C@@H](NCc1cc(F)cnc1Cl)CC2 ZINC000297232690 373261172 /nfs/dbraw/zinc/26/11/72/373261172.db2.gz HZEOHOZWYQFKEV-LBPRGKRZSA-N -1 3 292.741 3.357 20 10 CGCDHM CCc1ccc([C@@H](COC)NCc2cc(F)ccc2[O-])o1 ZINC000180743917 374041036 /nfs/dbraw/zinc/04/10/36/374041036.db2.gz WLUZAUQQYPEOQW-CQSZACIVSA-N -1 3 293.338 3.164 20 10 CGCDHM COC[C@H](NCc1cccc(Cl)c1[O-])c1ccc(C)o1 ZINC000182529870 374287485 /nfs/dbraw/zinc/28/74/85/374287485.db2.gz ZCMPGOFMSLNXSR-ZDUSSCGKSA-N -1 3 295.766 3.424 20 10 CGCDHM CCC[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182597500 374295203 /nfs/dbraw/zinc/29/52/03/374295203.db2.gz CRMISBJUTRNQKQ-LBPRGKRZSA-N -1 3 277.364 3.059 20 10 CGCDHM Cc1nn(C)cc1[C@H](C)N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187699569 375075369 /nfs/dbraw/zinc/07/53/69/375075369.db2.gz NXUGYOUMSTWUKF-BDAKNGLRSA-N -1 3 295.333 3.124 20 10 CGCDHM Cc1cccc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])c1 ZINC000188247852 375183502 /nfs/dbraw/zinc/18/35/02/375183502.db2.gz CNHBSMMUWPOTQM-OAHLLOKOSA-N -1 3 297.354 3.384 20 10 CGCDHM CN(Cc1ccccc1[O-])Cc1cccnc1C(F)(F)F ZINC000528421104 375902468 /nfs/dbraw/zinc/90/24/68/375902468.db2.gz ZXORVRPSVWDBDL-UHFFFAOYSA-N -1 3 296.292 3.438 20 10 CGCDHM CC[C@H](c1ccncc1)N(C)C(=O)c1cc([O-])cs1 ZINC000738545370 572378255 /nfs/dbraw/zinc/37/82/55/572378255.db2.gz FVZBSPKIYYQVHR-GFCCVEGCSA-N -1 3 276.361 3.072 20 10 CGCDHM CCCOc1ccc(CN(C)Cc2nccs2)c([O-])c1 ZINC000093582618 392239681 /nfs/dbraw/zinc/23/96/81/392239681.db2.gz CSYYNYLSHZQYGO-UHFFFAOYSA-N -1 3 292.404 3.270 20 10 CGCDHM CN(Cc1c([O-])cccc1Cl)C[C@H]1CCCCO1 ZINC000132604395 392462213 /nfs/dbraw/zinc/46/22/13/392462213.db2.gz SGVMQTITSOJTCO-LLVKDONJSA-N -1 3 269.772 3.047 20 10 CGCDHM [O-]c1ccccc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000179582148 392704971 /nfs/dbraw/zinc/70/49/71/392704971.db2.gz NKPWQRHDXGPYPC-OAHLLOKOSA-N -1 3 275.373 3.027 20 10 CGCDHM CCCOc1ccc(CN(C)Cc2ccco2)c([O-])c1 ZINC000162170739 261272434 /nfs/dbraw/zinc/27/24/34/261272434.db2.gz IZQZJSMZYYDJTH-UHFFFAOYSA-N -1 3 275.348 3.406 20 10 CGCDHM COc1cc(Cl)cc(CN(C)Cc2ccncc2)c1[O-] ZINC000184745063 262027500 /nfs/dbraw/zinc/02/75/00/262027500.db2.gz DUPVCFKPDHQFCB-UHFFFAOYSA-N -1 3 292.766 3.081 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1C1CCCCC1 ZINC000186975045 262119171 /nfs/dbraw/zinc/11/91/71/262119171.db2.gz WQNFFIRLBZQBGI-AWEZNQCLSA-N -1 3 289.375 3.283 20 10 CGCDHM C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1cn[nH]c1 ZINC000229883180 329358398 /nfs/dbraw/zinc/35/83/98/329358398.db2.gz RPAFTLXQOUYHIM-ZETCQYMHSA-N -1 3 286.162 3.273 20 10 CGCDHM Cc1ncc(CN[C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000062748066 527275318 /nfs/dbraw/zinc/27/53/18/527275318.db2.gz ANUCDJHDPOYLGL-QMMMGPOBSA-N -1 3 266.341 3.147 20 10 CGCDHM COc1ccc(NC(=O)c2cc([O-])cs2)cc1Cl ZINC000731863865 572430397 /nfs/dbraw/zinc/43/03/97/572430397.db2.gz HXMHKEQDVYQURQ-UHFFFAOYSA-N -1 3 283.736 3.368 20 10 CGCDHM CCOc1ccccc1COC(=O)c1cc([O-])cs1 ZINC000731911203 572436370 /nfs/dbraw/zinc/43/63/70/572436370.db2.gz FZAMNMNNOBJWFN-UHFFFAOYSA-N -1 3 278.329 3.209 20 10 CGCDHM Cc1ccc([C@@H](C)NC(=O)c2cc([O-])cs2)cc1 ZINC000732267508 572455063 /nfs/dbraw/zinc/45/50/63/572455063.db2.gz ISCSTCWDQUEEDK-SNVBAGLBSA-N -1 3 261.346 3.253 20 10 CGCDHM Cc1ccccc1C(C)(C)CNC(=O)c1cc([O-])cs1 ZINC000732283539 572457981 /nfs/dbraw/zinc/45/79/81/572457981.db2.gz MOQOSRQAPDPMCL-UHFFFAOYSA-N -1 3 289.400 3.470 20 10 CGCDHM CN(CCc1ccc(Cl)cc1)C(=O)c1cc([O-])cs1 ZINC000733367147 572559552 /nfs/dbraw/zinc/55/95/52/572559552.db2.gz JDILROYIDZSXMQ-UHFFFAOYSA-N -1 3 295.791 3.422 20 10 CGCDHM Cc1cnc([C@@H](NC(=O)c2cc([O-])cs2)C2CC2)s1 ZINC000743688496 572678621 /nfs/dbraw/zinc/67/86/21/572678621.db2.gz YNRFYZGJYHNWIT-NSHDSACASA-N -1 3 294.401 3.100 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CC[C@@H]1c1cccc(F)c1 ZINC000743759238 572681774 /nfs/dbraw/zinc/68/17/74/572681774.db2.gz RODSKIMUAXTWQN-GFCCVEGCSA-N -1 3 277.320 3.180 20 10 CGCDHM CCS[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000748857672 572986919 /nfs/dbraw/zinc/98/69/19/572986919.db2.gz DUEBLSGJHBXZHR-MWLCHTKSSA-N -1 3 285.434 3.248 20 10 CGCDHM CC[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)c1ccccc1[O-] ZINC000820285217 598180159 /nfs/dbraw/zinc/18/01/59/598180159.db2.gz VZNBCXIPBQYSCD-HNNXBMFYSA-N -1 3 285.343 3.331 20 10 CGCDHM CC(C)(NCc1cc(Br)ccc1[O-])C(F)F ZINC000309700208 618765288 /nfs/dbraw/zinc/76/52/88/618765288.db2.gz SODNNBFRPORIMR-UHFFFAOYSA-N -1 3 294.139 3.288 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@@H]1c1ccncc1 ZINC000894763660 619628938 /nfs/dbraw/zinc/62/89/38/619628938.db2.gz OBHMMQVUDMIVJY-OAHLLOKOSA-N -1 3 290.313 3.403 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@H]1c1ccncc1 ZINC000894763658 619628992 /nfs/dbraw/zinc/62/89/92/619628992.db2.gz OBHMMQVUDMIVJY-HNNXBMFYSA-N -1 3 290.313 3.403 20 10 CGCDHM CN(Cc1ccns1)Cc1cc(Cl)c(F)cc1[O-] ZINC000895452832 619832413 /nfs/dbraw/zinc/83/24/13/619832413.db2.gz YDXVADQQLLNDOB-UHFFFAOYSA-N -1 3 286.759 3.273 20 10 CGCDHM CN(C)c1ccc(F)cc1CNCc1c([O-])cccc1F ZINC000896644950 620040476 /nfs/dbraw/zinc/04/04/76/620040476.db2.gz ZVJQXCYRPPDMNA-UHFFFAOYSA-N -1 3 292.329 3.026 20 10 CGCDHM [O-]c1cccc(F)c1CNCc1csc(C2CC2)n1 ZINC000896641323 620042272 /nfs/dbraw/zinc/04/22/72/620042272.db2.gz QEBDNGUXEPKQNR-UHFFFAOYSA-N -1 3 278.352 3.155 20 10 CGCDHM [O-]c1c(F)cccc1CNc1cccc(-n2ccnc2)c1 ZINC000164952254 622852681 /nfs/dbraw/zinc/85/26/81/622852681.db2.gz IPCQUIVEDSXNMT-UHFFFAOYSA-N -1 3 283.306 3.329 20 10 CGCDHM CCN(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccc(OC)cc1 ZINC000838885162 626274764 /nfs/dbraw/zinc/27/47/64/626274764.db2.gz WFCISXFMQJQFAP-UHFFFAOYSA-N -1 3 299.374 3.095 20 10 CGCDHM CC(C)c1ccccc1N(C)C(=O)c1cccc(O)c1[O-] ZINC000752916041 626441887 /nfs/dbraw/zinc/44/18/87/626441887.db2.gz YBUSVZAWIHLFET-UHFFFAOYSA-N -1 3 285.343 3.498 20 10 CGCDHM Cc1cc(CNCc2cc(Cl)cc(Cl)c2[O-])ncn1 ZINC000756989757 626745439 /nfs/dbraw/zinc/74/54/39/626745439.db2.gz GBFDMJMYPYRECT-UHFFFAOYSA-N -1 3 298.173 3.087 20 10 CGCDHM [O-]c1c(Cl)cccc1CNCc1ccc(Cl)cn1 ZINC000776254788 628185203 /nfs/dbraw/zinc/18/52/03/628185203.db2.gz MYDZWOSXFIKTGH-UHFFFAOYSA-N -1 3 283.158 3.384 20 10 CGCDHM CCc1cccc2c1N(C(=O)c1ccc(C)c(O)c1[O-])CC2 ZINC000780916884 628524033 /nfs/dbraw/zinc/52/40/33/628524033.db2.gz AQHZDPSODQVZCT-UHFFFAOYSA-N -1 3 297.354 3.172 20 10 CGCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(C)cc1 ZINC000790465573 629212212 /nfs/dbraw/zinc/21/22/12/629212212.db2.gz YJZVRXOXHDSQBW-AWEZNQCLSA-N -1 3 285.343 3.287 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCOCC2(CCC2)C1 ZINC000792175411 629344991 /nfs/dbraw/zinc/34/49/91/629344991.db2.gz TWXLQGBIXXQFEY-UHFFFAOYSA-N -1 3 299.773 3.187 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1Cn1cnc2c1CCCC2 ZINC000862431382 629370615 /nfs/dbraw/zinc/37/06/15/629370615.db2.gz IMVILYVWAJUHBN-UHFFFAOYSA-N -1 3 280.730 3.308 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCc2c(O)cccc2C1 ZINC000862529472 629391210 /nfs/dbraw/zinc/39/12/10/629391210.db2.gz LMJKGBKBRGTUQN-UHFFFAOYSA-N -1 3 289.762 3.310 20 10 CGCDHM C[C@H]1C[C@H](C)N1Cc1cccc(Br)c1[O-] ZINC000793227447 629431526 /nfs/dbraw/zinc/43/15/26/629431526.db2.gz CETCDOIAQTXDBD-IUCAKERBSA-N -1 3 270.170 3.137 20 10 CGCDHM CC1(C)[C@@H](O)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000812779563 631307212 /nfs/dbraw/zinc/30/72/12/631307212.db2.gz RNBURDNDWICZOI-NSHDSACASA-N -1 3 290.190 3.044 20 10 CGCDHM CN(Cc1ccoc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816495024 631993773 /nfs/dbraw/zinc/99/37/73/631993773.db2.gz HMYKSOOYWICFIU-UHFFFAOYSA-N -1 3 269.703 3.410 20 10 CGCDHM CC(C)n1ccc(CNCc2cc(Cl)c(F)cc2[O-])n1 ZINC000816552284 632009043 /nfs/dbraw/zinc/00/90/43/632009043.db2.gz HIMJJWXCKVLLMK-UHFFFAOYSA-N -1 3 297.761 3.252 20 10 CGCDHM CCc1noc(C)c1CNCc1cc(Cl)cc(F)c1[O-] ZINC000816638474 632028743 /nfs/dbraw/zinc/02/87/43/632028743.db2.gz NLNNQEWDHCFDNO-UHFFFAOYSA-N -1 3 298.745 3.333 20 10 CGCDHM C[C@]1(C2CC2)CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000826877186 633440093 /nfs/dbraw/zinc/44/00/93/633440093.db2.gz CEMCZLOKUXUFIM-OAHLLOKOSA-N -1 3 281.783 3.047 20 10 CGCDHM Cc1nnc(CN(C)Cc2ccc3ccccc3c2[O-])s1 ZINC000827806838 633520795 /nfs/dbraw/zinc/52/07/95/633520795.db2.gz WRMZLLVYCWTASE-UHFFFAOYSA-N -1 3 299.399 3.337 20 10 CGCDHM C[C@@H](c1ccccn1)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000877171049 635007374 /nfs/dbraw/zinc/00/73/74/635007374.db2.gz XSYKDLKPICEUMN-JTQLQIEISA-N -1 3 278.302 3.258 20 10 CGCDHM C[C@@H]1Oc2ccccc2[C@@H]1NCc1ccc(F)c(F)c1[O-] ZINC000877536545 635077595 /nfs/dbraw/zinc/07/75/95/635077595.db2.gz ULYSJRCMQGZUIM-BJOHPYRUSA-N -1 3 291.297 3.282 20 10 CGCDHM CN(Cc1cccn1C)Cc1c([O-])cccc1Cl ZINC000129340279 636219437 /nfs/dbraw/zinc/21/94/37/636219437.db2.gz LFSFWZRTIZEOOR-UHFFFAOYSA-N -1 3 264.756 3.016 20 10 CGCDHM C[C@@H](NC1(c2ncccn2)CCC1)c1ccc(F)cc1[O-] ZINC000883311453 636660757 /nfs/dbraw/zinc/66/07/57/636660757.db2.gz AHQTYEKCFOMGFN-LLVKDONJSA-N -1 3 287.338 3.051 20 10 CGCDHM COCCc1ccnc(N[C@H](C)c2c([O-])cccc2F)c1 ZINC000886609590 637603044 /nfs/dbraw/zinc/60/30/44/637603044.db2.gz WWWWUBXMSDDNRJ-LLVKDONJSA-N -1 3 290.338 3.288 20 10 CGCDHM C[C@H](Nc1cnn(CCF)c1)c1ccc(Cl)cc1[O-] ZINC000858492257 638742394 /nfs/dbraw/zinc/74/23/94/638742394.db2.gz LVPSWLWJODZEJL-VIFPVBQESA-N -1 3 283.734 3.385 20 10 CGCDHM C[C@@H](NCc1cccc2c1OCC2)c1c([O-])cccc1F ZINC000927089347 638840038 /nfs/dbraw/zinc/84/00/38/638840038.db2.gz ADUYOQIAVCEFLJ-LLVKDONJSA-N -1 3 287.334 3.317 20 10 CGCDHM CCC(CC)[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928704569 638889384 /nfs/dbraw/zinc/88/93/84/638889384.db2.gz CGVUIOVHPVKRKY-JTQLQIEISA-N -1 3 267.344 3.220 20 10 CGCDHM CC[C@@H](C)[C@H](C)N(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000188423312 640134736 /nfs/dbraw/zinc/13/47/36/640134736.db2.gz CKIXLHLSWBOIHK-MNOVXSKESA-N -1 3 277.364 3.137 20 10 CGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CC2CCC1CC2 ZINC000381561216 799381741 /nfs/dbraw/zinc/38/17/41/799381741.db2.gz WMHLLBZULCIWDK-BBCYWQGDSA-N -1 3 289.375 3.042 20 10 CGCDHM CC[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C)O1 ZINC000689165576 799761865 /nfs/dbraw/zinc/76/18/65/799761865.db2.gz BCRLDALSWDJFCI-GHMZBOCLSA-N -1 3 269.772 3.045 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](CF)C2)c1[O-] ZINC000711468488 800062024 /nfs/dbraw/zinc/06/20/24/800062024.db2.gz DWKJTTWWUSUKNT-JTQLQIEISA-N -1 3 285.746 3.040 20 10 CGCDHM C[C@@H]1CCCN1Cc1cc(Br)cc(F)c1[O-] ZINC000715704530 800144375 /nfs/dbraw/zinc/14/43/75/800144375.db2.gz XAEZZYVUBXQXFL-MRVPVSSYSA-N -1 3 288.160 3.278 20 10 CGCDHM [O-]c1c(F)ccc(F)c1CN1CC(c2ccccc2)C1 ZINC001139686277 804254988 /nfs/dbraw/zinc/25/49/88/804254988.db2.gz SAMYSYXEAPIMBQ-UHFFFAOYSA-N -1 3 275.298 3.270 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCCC[C@H]1C(F)(F)F ZINC001140055625 804363132 /nfs/dbraw/zinc/36/31/32/804363132.db2.gz NNAPZRMYBQBLMN-LBPRGKRZSA-N -1 3 277.261 3.448 20 10 CGCDHM CC[N@H+](Cc1ccccc1[O-])Cc1c([O-])cc(F)cc1F ZINC001140584491 804468493 /nfs/dbraw/zinc/46/84/93/804468493.db2.gz TYKKSLHQHLONHW-UHFFFAOYSA-N -1 3 293.313 3.398 20 10 CGCDHM CC[N@@H+](Cc1ccccc1[O-])Cc1c([O-])cc(F)cc1F ZINC001140584491 804468496 /nfs/dbraw/zinc/46/84/96/804468496.db2.gz TYKKSLHQHLONHW-UHFFFAOYSA-N -1 3 293.313 3.398 20 10 CGCDHM CCOc1ccc(C)cc1NC(=O)c1cccc(O)c1[O-] ZINC001148218409 805167974 /nfs/dbraw/zinc/16/79/74/805167974.db2.gz AULSEDIDONBCSN-UHFFFAOYSA-N -1 3 287.315 3.057 20 10 CGCDHM CC[C@H](C)C1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC001148224735 805169426 /nfs/dbraw/zinc/16/94/26/805169426.db2.gz UCVYPELKORDDCH-HIFPTAJRSA-N -1 3 291.391 3.433 20 10 CGCDHM O=C(Nc1cc(C(F)F)ccc1F)c1cccc(O)c1[O-] ZINC001300315895 809566025 /nfs/dbraw/zinc/56/60/25/809566025.db2.gz MPQVDJAYUZRNOR-UHFFFAOYSA-N -1 3 297.232 3.427 20 10 CGCDHM CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc(F)c1[O-] ZINC001181244905 810044331 /nfs/dbraw/zinc/04/43/31/810044331.db2.gz XSBBUWVQHQIGJK-UHFFFAOYSA-N -1 3 291.370 3.184 20 10 CGCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC1CC=CC1 ZINC001227937926 817759076 /nfs/dbraw/zinc/75/90/76/817759076.db2.gz PPIKUHPNOJPSLE-UHFFFAOYSA-N -1 3 296.322 3.426 20 10 CGCDHM O=C([O-])c1ccc(C[N@@H+]2CCCc3ccccc3C2)c([O-])c1 ZINC001231452192 818101886 /nfs/dbraw/zinc/10/18/86/818101886.db2.gz GEXROSWPXUPIHL-UHFFFAOYSA-N -1 3 297.354 3.039 20 10 CGCDHM O=C([O-])c1ccc(C[N@H+]2CCCc3ccccc3C2)c([O-])c1 ZINC001231452192 818101891 /nfs/dbraw/zinc/10/18/91/818101891.db2.gz GEXROSWPXUPIHL-UHFFFAOYSA-N -1 3 297.354 3.039 20 10 CGCDHM [O-]c1c(CN2CC[C@H](F)C(F)(F)CC2)ccc(F)c1F ZINC001233074829 818516644 /nfs/dbraw/zinc/51/66/44/818516644.db2.gz XRXXXUUNNLEADO-JTQLQIEISA-N -1 3 295.251 3.240 20 10 CGCDHM C[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])CCCO1 ZINC001236794299 819598325 /nfs/dbraw/zinc/59/83/25/819598325.db2.gz RIYKKBHPKVRFLV-SECBINFHSA-N -1 3 290.190 3.310 20 10 CGCDHM CCO[C@@H]1CCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237124452 819672854 /nfs/dbraw/zinc/67/28/54/819672854.db2.gz LUSGMCZUKJJQJF-SNVBAGLBSA-N -1 3 287.762 3.186 20 10 CGCDHM CN(Cc1c([O-])ccc(F)c1Cl)C[C@@H]1CCCCO1 ZINC001237127076 819673627 /nfs/dbraw/zinc/67/36/27/819673627.db2.gz UEJBSRXJTNBCDS-JTQLQIEISA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1ccc(F)c(Cl)c1CN1CC(c2cccnc2)C1 ZINC001237127797 819675655 /nfs/dbraw/zinc/67/56/55/819675655.db2.gz FPMMZZSQEJCBRC-UHFFFAOYSA-N -1 3 292.741 3.179 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]2CCCO[C@@H]2C1 ZINC001237617986 819787283 /nfs/dbraw/zinc/78/72/83/819787283.db2.gz WCSWVTRFMWDWNB-QMTHXVAHSA-N -1 3 299.773 3.186 20 10 CGCDHM CC1(C)CN(Cc2cc(F)c(Cl)cc2[O-])CCCO1 ZINC001237936992 819887705 /nfs/dbraw/zinc/88/77/05/819887705.db2.gz MWYBUXQKFGMGOV-UHFFFAOYSA-N -1 3 287.762 3.186 20 10 CGCDHM Cc1ccc(CNCc2cc(F)c(F)cc2[O-])c(Cl)n1 ZINC001462543595 937649248 /nfs/dbraw/zinc/64/92/48/937649248.db2.gz CGSQUYVIDXKSLR-UHFFFAOYSA-N -1 3 298.720 3.317 20 10 CGCDHM CC[C@@H](C)C[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001312086024 933335377 /nfs/dbraw/zinc/33/53/77/933335377.db2.gz GVKKUUMMOFNDPB-GHMZBOCLSA-N -1 3 282.359 3.155 20 10 CGCDHM CC[C@@H](C)C[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001312086025 933336163 /nfs/dbraw/zinc/33/61/63/933336163.db2.gz GVKKUUMMOFNDPB-MNOVXSKESA-N -1 3 282.359 3.155 20 10 CGCDHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC001478811578 937911479 /nfs/dbraw/zinc/91/14/79/937911479.db2.gz UQRZJCYBTNGEFO-HBYGRHMLSA-N -1 3 294.370 3.155 20 10 CGCDHM O=C(/C=C\CCc1ccccc1)NCc1c([O-])cccc1F ZINC001558454745 938215578 /nfs/dbraw/zinc/21/55/78/938215578.db2.gz LNWRQZKJQRUJJD-XGICHPGQSA-N -1 3 299.345 3.337 20 10 CGCDHM [O-]c1ccc(Cl)cc1CNCc1nc2ccccc2o1 ZINC001560913809 938283733 /nfs/dbraw/zinc/28/37/33/938283733.db2.gz QWOXPUULCVLTRV-UHFFFAOYSA-N -1 3 288.734 3.477 20 10 CGCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001563432154 938302418 /nfs/dbraw/zinc/30/24/18/938302418.db2.gz KHFXNVMVSSTGIP-LLVKDONJSA-N -1 3 288.322 3.092 20 10 CGCDHM C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593224847 994343684 /nfs/dbraw/zinc/34/36/84/994343684.db2.gz RTZMHYUMHFRPJK-YGRLFVJLSA-N -1 3 277.364 3.320 20 10 CGCDHM Cc1c([C@@H](C)NCc2cc(Cl)c(F)cc2[O-])cnn1C ZINC000294135910 372591934 /nfs/dbraw/zinc/59/19/34/372591934.db2.gz HEZGIHRFKHIMFH-MRVPVSSYSA-N -1 3 297.761 3.077 20 10 CGCDHM CCn1cc([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000295822799 372923146 /nfs/dbraw/zinc/92/31/46/372923146.db2.gz BZHKHLBXMJQMNE-NXEZZACHSA-N -1 3 295.333 3.299 20 10 CGCDHM Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187699517 375075662 /nfs/dbraw/zinc/07/56/62/375075662.db2.gz NXUGYOUMSTWUKF-DTWKUNHWSA-N -1 3 295.333 3.124 20 10 CGCDHM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000193073055 375822572 /nfs/dbraw/zinc/82/25/72/375822572.db2.gz VNAUELVKRZUSAI-OCCSQVGLSA-N -1 3 297.354 3.116 20 10 CGCDHM CC(C)Cc1nnc(NCc2c([O-])cccc2Cl)o1 ZINC000272232282 378591618 /nfs/dbraw/zinc/59/16/18/378591618.db2.gz MDZCONZPPAMMLZ-UHFFFAOYSA-N -1 3 281.743 3.239 20 10 CGCDHM C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000273450638 378746824 /nfs/dbraw/zinc/74/68/24/378746824.db2.gz FWJUPPOMKADAMI-MEBBXXQBSA-N -1 3 293.313 3.055 20 10 CGCDHM CC[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(F)cc1[O-] ZINC000286281967 380187544 /nfs/dbraw/zinc/18/75/44/380187544.db2.gz WAONSWMZJWTKSG-KGLIPLIRSA-N -1 3 289.354 3.373 20 10 CGCDHM COC[C@@H](C)N(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132672574 392462363 /nfs/dbraw/zinc/46/23/63/392462363.db2.gz NSKSHSJYMPYUKP-MRVPVSSYSA-N -1 3 278.179 3.166 20 10 CGCDHM CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000179482807 392701728 /nfs/dbraw/zinc/70/17/28/392701728.db2.gz WVFAZRJKNNHKBS-PWSUYJOCSA-N -1 3 291.391 3.445 20 10 CGCDHM CC[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000037328873 173129544 /nfs/dbraw/zinc/12/95/44/173129544.db2.gz CREZWANYNBYZPR-GFCCVEGCSA-N -1 3 279.355 3.356 20 10 CGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1[O-] ZINC000154198519 261088497 /nfs/dbraw/zinc/08/84/97/261088497.db2.gz XGUFDIPKZYLHTM-UHFFFAOYSA-N -1 3 298.386 3.121 20 10 CGCDHM C[C@@H](Nc1cnn(CC(F)F)c1)c1ccc(F)cc1[O-] ZINC000186341580 262089410 /nfs/dbraw/zinc/08/94/10/262089410.db2.gz NSBJNCRCRXKXJC-MRVPVSSYSA-N -1 3 285.269 3.166 20 10 CGCDHM C[C@H](Nc1cnn(CC(F)F)c1)c1ccc(F)cc1[O-] ZINC000186341563 262089681 /nfs/dbraw/zinc/08/96/81/262089681.db2.gz NSBJNCRCRXKXJC-QMMMGPOBSA-N -1 3 285.269 3.166 20 10 CGCDHM C[C@@H](N[C@H]1COc2cc(F)cc(F)c21)c1ccccc1[O-] ZINC000368212319 267153054 /nfs/dbraw/zinc/15/30/54/267153054.db2.gz MPNXHFGSNOEYDK-RNCFNFMXSA-N -1 3 291.297 3.455 20 10 CGCDHM [O-]c1ccccc1-c1nc(CSc2nccs2)no1 ZINC000049418627 329638772 /nfs/dbraw/zinc/63/87/72/329638772.db2.gz DXXMKCXQTKJKBN-UHFFFAOYSA-N -1 3 291.357 3.191 20 10 CGCDHM Cc1nc(C)c(CNCc2c([O-])cccc2Cl)s1 ZINC000266127170 334690413 /nfs/dbraw/zinc/69/04/13/334690413.db2.gz BTEWUOBRKZKGNE-UHFFFAOYSA-N -1 3 282.796 3.409 20 10 CGCDHM CCCN(Cc1ccccc1[O-])[C@@H](C)c1noc(C)n1 ZINC000289892168 521690527 /nfs/dbraw/zinc/69/05/27/521690527.db2.gz MLSUVKZRBVIPCX-NSHDSACASA-N -1 3 275.352 3.057 20 10 CGCDHM Cc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000276979900 524590582 /nfs/dbraw/zinc/59/05/82/524590582.db2.gz VTJQFWRCSJSQNF-JTQLQIEISA-N -1 3 278.302 3.225 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1ccccn1 ZINC000062745004 525609283 /nfs/dbraw/zinc/60/92/83/525609283.db2.gz NLMPAYNEDFIOKZ-WDEREUQCSA-N -1 3 260.312 3.338 20 10 CGCDHM O=C(Nc1cc(-c2cccs2)[nH]n1)c1cc([O-])cs1 ZINC000731870299 572430065 /nfs/dbraw/zinc/43/00/65/572430065.db2.gz LIBQDDAMMSOFTO-UHFFFAOYSA-N -1 3 291.357 3.158 20 10 CGCDHM O=C(OC/C=C/c1ccccc1)c1cc([O-])cs1 ZINC000731910613 572436357 /nfs/dbraw/zinc/43/63/57/572436357.db2.gz UCQQKEJNGACLHO-QPJJXVBHSA-N -1 3 260.314 3.324 20 10 CGCDHM O=C(N[C@H]1CCSc2ccccc21)c1cc([O-])cs1 ZINC000732269660 572455768 /nfs/dbraw/zinc/45/57/68/572455768.db2.gz GYMAUAJNUMHVSQ-NSHDSACASA-N -1 3 291.397 3.421 20 10 CGCDHM CCOc1cc(NC(=O)c2cc([O-])cs2)ccc1OC ZINC000732272959 572457037 /nfs/dbraw/zinc/45/70/37/572457037.db2.gz FYENXLHXTGYKHW-UHFFFAOYSA-N -1 3 293.344 3.113 20 10 CGCDHM O=C(OCCCc1ccccc1)c1cc([O-])cs1 ZINC000732354730 572461345 /nfs/dbraw/zinc/46/13/45/572461345.db2.gz XVQROPCSTAWSSN-UHFFFAOYSA-N -1 3 262.330 3.243 20 10 CGCDHM CCN(C(=O)c1cc([O-])cs1)[C@H](C)c1cccnc1 ZINC000734554659 572665445 /nfs/dbraw/zinc/66/54/45/572665445.db2.gz GAKWVURIUZEMEB-SNVBAGLBSA-N -1 3 276.361 3.072 20 10 CGCDHM Cc1cc(Cl)cc(NC(=O)C2=CC(=O)CS2)c1[O-] ZINC000735117515 572701525 /nfs/dbraw/zinc/70/15/25/572701525.db2.gz VIZFLYHMIZDCOZ-UHFFFAOYSA-N -1 3 283.736 3.373 20 10 CGCDHM C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000736680087 572804475 /nfs/dbraw/zinc/80/44/75/572804475.db2.gz YGUCYWANESHXKA-YMTOWFKASA-N -1 3 273.357 3.117 20 10 CGCDHM C[C@@H](CCC(C)(C)C)NC(=O)c1cc([O-])cs1 ZINC000736710431 572806234 /nfs/dbraw/zinc/80/62/34/572806234.db2.gz BYULYPXGRCPNEU-VIFPVBQESA-N -1 3 255.383 3.398 20 10 CGCDHM CCS[C@H]1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000748857674 572986907 /nfs/dbraw/zinc/98/69/07/572986907.db2.gz DUEBLSGJHBXZHR-ONGXEEELSA-N -1 3 285.434 3.248 20 10 CGCDHM Cc1ccc(C[C@H](C)N(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000193081762 619125434 /nfs/dbraw/zinc/12/54/34/619125434.db2.gz AYXLLROTLQRWJP-ZDUSSCGKSA-N -1 3 299.370 3.109 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN(Cc1ccccn1)C1CC1 ZINC000894779272 619632148 /nfs/dbraw/zinc/63/21/48/619632148.db2.gz FFMFHITUYKXVQS-UHFFFAOYSA-N -1 3 290.313 3.230 20 10 CGCDHM C[C@@H](N[C@H](C)C(F)F)c1ccc(Br)cc1[O-] ZINC000883399771 619996163 /nfs/dbraw/zinc/99/61/63/619996163.db2.gz UZCGPHYMNYQXTF-RNFRBKRXSA-N -1 3 294.139 3.459 20 10 CGCDHM Cc1c(CNC(=O)c2cccc(O)c2[O-])oc2ccccc12 ZINC000185662756 625405665 /nfs/dbraw/zinc/40/56/65/625405665.db2.gz MIRGALXAUFHBQU-UHFFFAOYSA-N -1 3 297.310 3.082 20 10 CGCDHM COCc1ccc(CNCc2cccc(Cl)c2[O-])o1 ZINC000898218252 620489058 /nfs/dbraw/zinc/48/90/58/620489058.db2.gz BSCUVYXOIBOFFH-UHFFFAOYSA-N -1 3 281.739 3.075 20 10 CGCDHM CC(C)n1ccc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756595406 626719308 /nfs/dbraw/zinc/71/93/08/626719308.db2.gz SSRISWGLSKUFRP-JTQLQIEISA-N -1 3 295.333 3.299 20 10 CGCDHM CCc1cc(CN[C@H](C)c2cc(F)cc(F)c2[O-])on1 ZINC000756603387 626720033 /nfs/dbraw/zinc/72/00/33/626720033.db2.gz BLIBXTOWNFIOLT-MRVPVSSYSA-N -1 3 282.290 3.072 20 10 CGCDHM O=c1ccnc(C=Cc2ccc(N3CCCCC3)cc2)[n-]1 ZINC000764437336 627207412 /nfs/dbraw/zinc/20/74/12/627207412.db2.gz YVKPDDUBAIJOLP-TWGQIWQCSA-N -1 3 281.359 3.343 20 10 CGCDHM [O-]c1ccc(Cl)cc1CNCc1nccc(C(F)F)n1 ZINC000808435732 630644858 /nfs/dbraw/zinc/64/48/58/630644858.db2.gz VIGVIRCKTRJNIR-UHFFFAOYSA-N -1 3 299.708 3.063 20 10 CGCDHM CN(Cc1ccccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816568824 632015175 /nfs/dbraw/zinc/01/51/75/632015175.db2.gz RADVYFCUXZHWHX-UHFFFAOYSA-N -1 3 280.730 3.212 20 10 CGCDHM CO[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[C@H]1C ZINC000816586394 632018100 /nfs/dbraw/zinc/01/81/00/632018100.db2.gz GSKJYKONPLQZGD-YMTOWFKASA-N -1 3 287.762 3.042 20 10 CGCDHM Cc1noc([C@@H](C)NCc2ccc3ccccc3c2[O-])n1 ZINC000816590107 632020132 /nfs/dbraw/zinc/02/01/32/632020132.db2.gz RJLSHSORYQRLAE-SNVBAGLBSA-N -1 3 283.331 3.088 20 10 CGCDHM C[C@H](c1ccco1)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000876572076 634860019 /nfs/dbraw/zinc/86/00/19/634860019.db2.gz IPDLXQAYSBPAEY-SECBINFHSA-N -1 3 267.275 3.456 20 10 CGCDHM Cc1cc([O-])c(CN(C)Cc2nccs2)cc1Cl ZINC000824849341 633300341 /nfs/dbraw/zinc/30/03/41/633300341.db2.gz FSXAPOSVNCQSPX-UHFFFAOYSA-N -1 3 282.796 3.443 20 10 CGCDHM C[C@]1(C2CCCCC2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000831202690 633928363 /nfs/dbraw/zinc/92/83/63/633928363.db2.gz QEPBSKNWXDRCOU-QGZVFWFLSA-N -1 3 289.375 3.283 20 10 CGCDHM Cc1nccnc1[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000872131833 634052496 /nfs/dbraw/zinc/05/24/96/634052496.db2.gz AHPXMJQKHBUEAW-WCBMZHEXSA-N -1 3 293.317 3.181 20 10 CGCDHM CCn1ccnc1[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834894586 634272236 /nfs/dbraw/zinc/27/22/36/634272236.db2.gz LLYIEAGRPVGMNN-UWVGGRQHSA-N -1 3 295.333 3.299 20 10 CGCDHM Cc1ccc(C(=O)Nc2scnc2C(C)C)c([O-])c1O ZINC000836980573 634837784 /nfs/dbraw/zinc/83/77/84/634837784.db2.gz MIFFLMNZHVDECO-UHFFFAOYSA-N -1 3 292.360 3.238 20 10 CGCDHM C[C@H](c1ccncc1)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000877317617 635024559 /nfs/dbraw/zinc/02/45/59/635024559.db2.gz UXUREYSYWVXIQK-SNVBAGLBSA-N -1 3 278.302 3.258 20 10 CGCDHM C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@H](C)C1(F)F ZINC000877650833 635131849 /nfs/dbraw/zinc/13/18/49/635131849.db2.gz UVWVTSQJOILVIV-IUCAKERBSA-N -1 3 291.288 3.394 20 10 CGCDHM CC[C@H](N[C@@H](C)c1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000842926305 635513641 /nfs/dbraw/zinc/51/36/41/635513641.db2.gz VONIQYIMNYCONM-GWCFXTLKSA-N -1 3 297.370 3.302 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000882746658 636406806 /nfs/dbraw/zinc/40/68/06/636406806.db2.gz PXQOMXLTEBWNET-NHYWBVRUSA-N -1 3 295.338 3.172 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN[C@@H]1COCc2ccccc21 ZINC000883146846 636556528 /nfs/dbraw/zinc/55/65/28/636556528.db2.gz BABPQCBKZQYEMO-OAHLLOKOSA-N -1 3 291.297 3.032 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCS[C@@H](C)[C@@H]2C)c1[O-] ZINC000135834676 637190745 /nfs/dbraw/zinc/19/07/45/637190745.db2.gz NVWHNTOZZWVDEJ-ONGXEEELSA-N -1 3 297.395 3.060 20 10 CGCDHM Cc1csc(CN[C@H](C)c2c([O-])cccc2F)n1 ZINC000886498943 637543451 /nfs/dbraw/zinc/54/34/51/637543451.db2.gz VGNZXLYEEYYAKB-SECBINFHSA-N -1 3 266.341 3.147 20 10 CGCDHM Cc1nc(CN[C@@H](C)c2c([O-])cccc2F)cs1 ZINC000886508655 637544553 /nfs/dbraw/zinc/54/45/53/637544553.db2.gz JDURNZQIBMDPBT-QMMMGPOBSA-N -1 3 266.341 3.147 20 10 CGCDHM C[C@H](NCc1cc(F)ccc1[O-])c1nc(C(C)(C)C)no1 ZINC000191568934 640319289 /nfs/dbraw/zinc/31/92/89/640319289.db2.gz QVWLYIDGIYFCSB-VIFPVBQESA-N -1 3 293.342 3.063 20 10 CGCDHM CC(C)=C[C@@H]1[C@H](C(=O)NCc2c([O-])cccc2F)C1(C)C ZINC001156170728 805662140 /nfs/dbraw/zinc/66/21/40/805662140.db2.gz SWOQMYLZZPNXIJ-IUODEOHRSA-N -1 3 291.366 3.386 20 10 CGCDHM [O-]c1cccc(F)c1CN1CCC[C@@H](C(F)(F)F)C1 ZINC001137837847 803781057 /nfs/dbraw/zinc/78/10/57/803781057.db2.gz WZNJHWGFJRWLCD-SECBINFHSA-N -1 3 277.261 3.306 20 10 CGCDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1C ZINC001260998765 807709692 /nfs/dbraw/zinc/70/96/92/807709692.db2.gz SAXCTBMCSNIQCG-UHFFFAOYSA-N -1 3 291.372 3.118 20 10 CGCDHM C[C@@H](C(=O)NCc1c([O-])cccc1F)c1ccsc1 ZINC001178412991 809864752 /nfs/dbraw/zinc/86/47/52/809864752.db2.gz JQIDRHQMVWKRLO-SECBINFHSA-N -1 3 279.336 3.013 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)OCC1CCCCC1 ZINC001213797562 815333855 /nfs/dbraw/zinc/33/38/55/815333855.db2.gz HDYFPXILLJFIIY-UHFFFAOYSA-N -1 3 281.327 3.338 20 10 CGCDHM CC1(C)CN(Cc2ccc(F)c(F)c2[O-])[C@H]1C1CC1 ZINC001182185196 810097497 /nfs/dbraw/zinc/09/74/97/810097497.db2.gz ZPTUZAJRKIMDET-AWEZNQCLSA-N -1 3 267.319 3.291 20 10 CGCDHM O=C1Cc2ccc(NCc3c([O-])cccc3Cl)cc2N1 ZINC001203645105 812413793 /nfs/dbraw/zinc/41/37/93/812413793.db2.gz FMTKJJKKMMISJR-UHFFFAOYSA-N -1 3 288.734 3.152 20 10 CGCDHM CC(C)(C)C1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231447416 818100065 /nfs/dbraw/zinc/10/00/65/818100065.db2.gz SVNRJWIXZZLLDC-UHFFFAOYSA-N -1 3 291.391 3.349 20 10 CGCDHM Cc1ccccc1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231451653 818101991 /nfs/dbraw/zinc/10/19/91/818101991.db2.gz OLAHRIVSSWVJIA-UHFFFAOYSA-N -1 3 285.343 3.031 20 10 CGCDHM Cc1ccccc1C[N@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231451653 818101994 /nfs/dbraw/zinc/10/19/94/818101994.db2.gz OLAHRIVSSWVJIA-UHFFFAOYSA-N -1 3 285.343 3.031 20 10 CGCDHM CC(C)(C)C1CC[NH+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231560620 818124713 /nfs/dbraw/zinc/12/47/13/818124713.db2.gz KXBQXSGEIGQYLZ-UHFFFAOYSA-N -1 3 291.391 3.349 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CC(c2cccnc2)C1 ZINC001231912351 818209159 /nfs/dbraw/zinc/20/91/59/818209159.db2.gz FJDLBHYOFDDIBG-UHFFFAOYSA-N -1 3 274.751 3.040 20 10 CGCDHM [O-]c1c(CN2CCCO2)cccc1-c1ccccc1 ZINC001234992133 818969845 /nfs/dbraw/zinc/96/98/45/818969845.db2.gz NOBFHUFUTUDNFV-UHFFFAOYSA-N -1 3 255.317 3.197 20 10 CGCDHM C[C@@H]1C[C@H](O)CCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237084824 819663715 /nfs/dbraw/zinc/66/37/15/819663715.db2.gz OAJHCQQAZIRYRA-RKDXNWHRSA-N -1 3 290.190 3.044 20 10 CGCDHM [O-]c1cc(Cl)c(F)cc1CN1CC2(CCC2)C1 ZINC001237933614 819886452 /nfs/dbraw/zinc/88/64/52/819886452.db2.gz DWSRDSWMOVSXOT-UHFFFAOYSA-N -1 3 255.720 3.171 20 10 CGCDHM CCc1ccc(C(=O)N[C@H](C)c2ccccc2O)c([O-])c1 ZINC001454808079 937412823 /nfs/dbraw/zinc/41/28/23/937412823.db2.gz SKCNMCLNZHQXMR-LLVKDONJSA-N -1 3 285.343 3.151 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@@H](C)O[C@H](C3CC3)C2)c(Cl)c1 ZINC001462176363 937622827 /nfs/dbraw/zinc/62/28/27/937622827.db2.gz IWXQUOJFURXOEF-BZNIZROVSA-N -1 3 295.810 3.353 20 10 CGCDHM CCCc1ccccc1C(=O)NCc1c([O-])cccc1F ZINC001303876396 932835911 /nfs/dbraw/zinc/83/59/11/932835911.db2.gz ZRGOISWNDJUCAR-UHFFFAOYSA-N -1 3 287.334 3.414 20 10 CGCDHM CC[C@H]1COC(C)(C)CN1Cc1cc(F)c(F)cc1[O-] ZINC001462417170 937639188 /nfs/dbraw/zinc/63/91/88/937639188.db2.gz YVDWNQXFWOOAOQ-NSHDSACASA-N -1 3 285.334 3.060 20 10 CGCDHM CC(C)CC[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001467704245 937720837 /nfs/dbraw/zinc/72/08/37/937720837.db2.gz GPDFCBJXLFKNPQ-LLVKDONJSA-N -1 3 282.359 3.155 20 10 CGCDHM CCCc1nc(C)c(CNCc2cc(F)c(F)cc2[O-])o1 ZINC001474557966 937866580 /nfs/dbraw/zinc/86/65/80/937866580.db2.gz OKMCVFIAXDVFRD-UHFFFAOYSA-N -1 3 296.317 3.209 20 10 CGCDHM CC[C@@H]1CO[C@@H](C)CN1Cc1c([O-])cc(C)cc1Cl ZINC001560726955 938272564 /nfs/dbraw/zinc/27/25/64/938272564.db2.gz LPEKQDFNNBOCLO-NWDGAFQWSA-N -1 3 283.799 3.353 20 10 CGCDHM CC[C@@]1(C)CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC001560761564 938274654 /nfs/dbraw/zinc/27/46/54/938274654.db2.gz JTZBMKSRASGUCO-HNNXBMFYSA-N -1 3 283.799 3.355 20 10 CGCDHM CC[C@@H]([NH2+][C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccccc1[O-] ZINC001595317636 980495780 /nfs/dbraw/zinc/49/57/80/980495780.db2.gz YVJBPPVZPGVOIN-OUCADQQQSA-N -1 3 277.364 3.076 20 10 CGCDHM C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219797 994305036 /nfs/dbraw/zinc/30/50/36/994305036.db2.gz OUMUTPUJZHTFLK-CMPLNLGQSA-N -1 3 277.364 3.320 20 10 CGCDHM CC(C)C1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001593250103 994483289 /nfs/dbraw/zinc/48/32/89/994483289.db2.gz QOOFIQCYWZTDGX-LLVKDONJSA-N -1 3 277.364 3.177 20 10 CGCDHM Cc1nc2sccn2c1CN(C)Cc1ccccc1[O-] ZINC000091956660 345826628 /nfs/dbraw/zinc/82/66/28/345826628.db2.gz MRNHNVKRIOTWOW-UHFFFAOYSA-N -1 3 287.388 3.042 20 10 CGCDHM CC[C@@](C)(NCc1ccccc1[O-])c1nccs1 ZINC000152636545 261066536 /nfs/dbraw/zinc/06/65/36/261066536.db2.gz WSIANDRKEBGCGO-CQSZACIVSA-N -1 3 262.378 3.264 20 10 CGCDHM CC[C@H](NCc1cc(C)nn1C)c1cccc(Cl)c1[O-] ZINC000287094497 371602500 /nfs/dbraw/zinc/60/25/00/371602500.db2.gz PPBRQUUUBMXCPA-AWEZNQCLSA-N -1 3 293.798 3.328 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1C[C@H](CO)c2ccccc21 ZINC000293888827 372513084 /nfs/dbraw/zinc/51/30/84/372513084.db2.gz KFVSUABODOYYSI-LLVKDONJSA-N -1 3 289.762 3.142 20 10 CGCDHM [O-]c1ccc(F)cc1CNc1ccc2c(n1)CCC2 ZINC000294993544 372684382 /nfs/dbraw/zinc/68/43/82/372684382.db2.gz ZHYDIRFQBNEJSP-UHFFFAOYSA-N -1 3 258.296 3.027 20 10 CGCDHM CCn1cc([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000295824401 372923544 /nfs/dbraw/zinc/92/35/44/372923544.db2.gz BZHKHLBXMJQMNE-ZJUUUORDSA-N -1 3 295.333 3.299 20 10 CGCDHM C[C@@H](N[C@H](C)c1ccc(F)c(F)c1[O-])c1ccccn1 ZINC000191182121 375591026 /nfs/dbraw/zinc/59/10/26/375591026.db2.gz NCMUZADMLSWBJC-NXEZZACHSA-N -1 3 278.302 3.477 20 10 CGCDHM CC(C)CC[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193138451 375832423 /nfs/dbraw/zinc/83/24/23/375832423.db2.gz BFSRESPRSQTTDG-LBPRGKRZSA-N -1 3 277.364 3.139 20 10 CGCDHM COC(=O)C(C)(C)NCc1cc(-c2ccccc2)ccc1[O-] ZINC000272014879 378546123 /nfs/dbraw/zinc/54/61/23/378546123.db2.gz DKOGKSHGFLBQEI-UHFFFAOYSA-N -1 3 299.370 3.100 20 10 CGCDHM CC[C@@H](Nc1c(C)nn(C)c1C)c1ccc(F)cc1[O-] ZINC000286149938 380167141 /nfs/dbraw/zinc/16/71/41/380167141.db2.gz OUESQUBQHSIXMM-CYBMUJFWSA-N -1 3 277.343 3.445 20 10 CGCDHM CCc1nnc([C@H](C)N[C@@H](CC)c2ccc(F)cc2[O-])[nH]1 ZINC000286174787 380171065 /nfs/dbraw/zinc/17/10/65/380171065.db2.gz QBJYEKNYWBLPOR-CABZTGNLSA-N -1 3 292.358 3.014 20 10 CGCDHM [O-]c1ccccc1CN1CCO[C@@H](c2ccccc2F)C1 ZINC000179568652 392703720 /nfs/dbraw/zinc/70/37/20/392703720.db2.gz BLGQEIOCQQWUBM-QGZVFWFLSA-N -1 3 287.334 3.105 20 10 CGCDHM CCc1ccc([C@@H]2COCCN2Cc2ccccc2[O-])o1 ZINC000179576363 392704341 /nfs/dbraw/zinc/70/43/41/392704341.db2.gz GRTIEEGLIJWJQW-HNNXBMFYSA-N -1 3 287.359 3.121 20 10 CGCDHM CC[C@H](N[C@@H](C)c1nnc(C)s1)c1ccccc1[O-] ZINC000274793721 328010930 /nfs/dbraw/zinc/01/09/30/328010930.db2.gz SOXBSBKMEYFEHX-CABZTGNLSA-N -1 3 277.393 3.354 20 10 CGCDHM CCn1ncc(CN[C@@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000527925001 330296392 /nfs/dbraw/zinc/29/63/92/330296392.db2.gz SRHJFWNQUZAEKR-LBPRGKRZSA-N -1 3 296.374 3.008 20 10 CGCDHM CC[C@@H](C)c1nnc([C@H](C)NCc2cccc(F)c2[O-])[nH]1 ZINC000277327963 522442464 /nfs/dbraw/zinc/44/24/64/522442464.db2.gz UFCMBCJZQTVDHO-ZJUUUORDSA-N -1 3 292.358 3.014 20 10 CGCDHM CC[C@@H](C)c1nc([C@H](C)NCc2cccc(F)c2[O-])n[nH]1 ZINC000277327963 522442473 /nfs/dbraw/zinc/44/24/73/522442473.db2.gz UFCMBCJZQTVDHO-ZJUUUORDSA-N -1 3 292.358 3.014 20 10 CGCDHM CCc1ccc(CN(C)C(=O)c2cc([O-])cs2)cc1 ZINC000731866233 572430005 /nfs/dbraw/zinc/43/00/05/572430005.db2.gz JNFMNWVDTHRLDZ-UHFFFAOYSA-N -1 3 275.373 3.288 20 10 CGCDHM O=C(N[C@H]1CCCOc2ccccc21)c1cc([O-])cs1 ZINC000732281169 572458290 /nfs/dbraw/zinc/45/82/90/572458290.db2.gz QYQOTXTXADKEGC-LBPRGKRZSA-N -1 3 289.356 3.097 20 10 CGCDHM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc([O-])cs1 ZINC000734554436 572665399 /nfs/dbraw/zinc/66/53/99/572665399.db2.gz BSANUERZVHRPSG-WCQYABFASA-N -1 3 287.384 3.472 20 10 CGCDHM Cc1ccc(CC[C@H](C)NC(=O)c2cc([O-])cs2)o1 ZINC000743718759 572681470 /nfs/dbraw/zinc/68/14/70/572681470.db2.gz ROTQNKUBBRTQIH-VIFPVBQESA-N -1 3 279.361 3.106 20 10 CGCDHM C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000736680084 572804716 /nfs/dbraw/zinc/80/47/16/572804716.db2.gz YGUCYWANESHXKA-LKFCYVNXSA-N -1 3 273.357 3.117 20 10 CGCDHM O=C(Nc1ccc(OCC(F)F)cc1)c1cc([O-])cs1 ZINC000748434723 572976825 /nfs/dbraw/zinc/97/68/25/572976825.db2.gz AKTDIKCFILCTHR-UHFFFAOYSA-N -1 3 299.298 3.350 20 10 CGCDHM C[C@H](NCc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000309820171 618964800 /nfs/dbraw/zinc/96/48/00/618964800.db2.gz WCNYLWWFQLNZOY-LURJTMIESA-N -1 3 253.651 3.086 20 10 CGCDHM Cc1c(CN(C)Cc2c([O-])cc(C)cc2Cl)cnn1C ZINC000840940603 619232678 /nfs/dbraw/zinc/23/26/78/619232678.db2.gz HTRCTDDGUBLDLG-UHFFFAOYSA-N -1 3 293.798 3.028 20 10 CGCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c(C)c1 ZINC000148640722 620404551 /nfs/dbraw/zinc/40/45/51/620404551.db2.gz JZCVTTRCAJLABO-UHFFFAOYSA-N -1 3 291.372 3.118 20 10 CGCDHM CCCn1cc(N[C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000186339813 625790961 /nfs/dbraw/zinc/79/09/61/625790961.db2.gz ZAIMYXZEQIBGMF-JTQLQIEISA-N -1 3 263.316 3.311 20 10 CGCDHM Cc1noc(C)c1CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756460542 626707244 /nfs/dbraw/zinc/70/72/44/626707244.db2.gz QHXHRONOHBJWCZ-ZETCQYMHSA-N -1 3 282.290 3.126 20 10 CGCDHM C[C@@H]1c2cccn2CCN1Cc1c([O-])cccc1Cl ZINC000768161622 627464151 /nfs/dbraw/zinc/46/41/51/627464151.db2.gz ITFJULXGJTVOIG-LLVKDONJSA-N -1 3 276.767 3.424 20 10 CGCDHM C[C@@H](N[C@@H](CO)c1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000769990664 627596059 /nfs/dbraw/zinc/59/60/59/627596059.db2.gz VVJYNLWLVMLXEA-OQPBUACISA-N -1 3 299.342 3.116 20 10 CGCDHM C[C@@H](NCc1cc[nH]n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774170409 627955790 /nfs/dbraw/zinc/95/57/90/627955790.db2.gz DCDURXOYRNQPOD-SSDOTTSWSA-N -1 3 286.162 3.273 20 10 CGCDHM Cc1ccc(C(=O)Nc2nc(C(C)C)cs2)c([O-])c1O ZINC000780905477 628523307 /nfs/dbraw/zinc/52/33/07/628523307.db2.gz QIHMWQTZRCEKAU-UHFFFAOYSA-N -1 3 292.360 3.238 20 10 CGCDHM Cc1ccc(CCCNC(=O)c2cccc(O)c2[O-])c(C)c1 ZINC000790482238 629213091 /nfs/dbraw/zinc/21/30/91/629213091.db2.gz IZCYCVZOCWAIRP-UHFFFAOYSA-N -1 3 299.370 3.077 20 10 CGCDHM CCc1cc(CNCc2c([O-])ccc(Cl)c2F)on1 ZINC000790970755 629244323 /nfs/dbraw/zinc/24/43/23/629244323.db2.gz FERYYVNXXKVJAS-UHFFFAOYSA-N -1 3 284.718 3.025 20 10 CGCDHM CC1=CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000798090699 630021780 /nfs/dbraw/zinc/02/17/80/630021780.db2.gz YFULZNGPUVJDKX-UHFFFAOYSA-N -1 3 255.720 3.337 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1cnn2c1CCCC2 ZINC000865709546 630399309 /nfs/dbraw/zinc/39/93/09/630399309.db2.gz JRWHDZPZVUHFQB-UHFFFAOYSA-N -1 3 277.755 3.191 20 10 CGCDHM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000807886460 630604837 /nfs/dbraw/zinc/60/48/37/630604837.db2.gz RRIZWVLGZLTNAT-NEPJUHHUSA-N -1 3 291.391 3.385 20 10 CGCDHM C[C@H](NCc1cocn1)c1cccc(C(F)(F)F)c1[O-] ZINC000815605946 631804922 /nfs/dbraw/zinc/80/49/22/631804922.db2.gz JQFVNPMQEXWPJC-QMMMGPOBSA-N -1 3 286.253 3.250 20 10 CGCDHM Cc1cnc(CNCc2cc(Cl)c(F)cc2[O-])s1 ZINC000816551531 632008399 /nfs/dbraw/zinc/00/83/99/632008399.db2.gz FHGLZMMBHBQDOT-UHFFFAOYSA-N -1 3 286.759 3.239 20 10 CGCDHM C[C@]1(F)CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000824472132 633249457 /nfs/dbraw/zinc/24/94/57/633249457.db2.gz MDBIGVLUCYNDLN-ZDUSSCGKSA-N -1 3 257.736 3.370 20 10 CGCDHM CCn1ccnc1[C@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000825005402 633316460 /nfs/dbraw/zinc/31/64/60/633316460.db2.gz JNAJYFQHMCVCEN-VIFPVBQESA-N -1 3 297.761 3.252 20 10 CGCDHM C[C@@H]1C[C@@H](NCc2c([O-])cccc2Cl)c2nccn21 ZINC000825017552 633318417 /nfs/dbraw/zinc/31/84/17/633318417.db2.gz ULSHAYKUZVPOCN-BXKDBHETSA-N -1 3 277.755 3.038 20 10 CGCDHM C[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccc(F)cc1[O-] ZINC000834894947 634272101 /nfs/dbraw/zinc/27/21/01/634272101.db2.gz NEFDFPHMKSCKSZ-KWBADKCTSA-N -1 3 275.327 3.084 20 10 CGCDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1Cl ZINC000126200682 634918578 /nfs/dbraw/zinc/91/85/78/634918578.db2.gz ZVOYHQCRTVGVNK-UHFFFAOYSA-N -1 3 293.706 3.012 20 10 CGCDHM CCc1noc(CC)c1CNCc1ccc(F)c(F)c1[O-] ZINC000877109415 634985825 /nfs/dbraw/zinc/98/58/25/634985825.db2.gz KHAMMCYRRFXDAA-UHFFFAOYSA-N -1 3 296.317 3.073 20 10 CGCDHM Cc1cc([O-])c(CN2CCC(F)(F)C2)c(Cl)c1 ZINC000840935893 635085462 /nfs/dbraw/zinc/08/54/62/635085462.db2.gz DKIPYCHOIWOIPI-UHFFFAOYSA-N -1 3 261.699 3.195 20 10 CGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC23CCCC3)c1[O-] ZINC000846001219 636128416 /nfs/dbraw/zinc/12/84/16/636128416.db2.gz YVJKSSHPAYBUQT-UHFFFAOYSA-N -1 3 296.754 3.472 20 10 CGCDHM CC[C@@H](N[C@@H](C)c1nccn1C)c1ccc(F)cc1[O-] ZINC000850571871 637128900 /nfs/dbraw/zinc/12/89/00/637128900.db2.gz DGTIKSVVNLAJED-GXFFZTMASA-N -1 3 277.343 3.067 20 10 CGCDHM [O-]c1c(F)cccc1CNc1cccc(CCCO)c1 ZINC000136265705 637302106 /nfs/dbraw/zinc/30/21/06/637302106.db2.gz MAEICPDZVVHVLO-UHFFFAOYSA-N -1 3 275.323 3.068 20 10 CGCDHM C[C@@H](N[C@H](C)c1c([O-])cccc1F)c1ccccn1 ZINC000886489445 637539032 /nfs/dbraw/zinc/53/90/32/637539032.db2.gz IXNGJDJZTPJOFI-GHMZBOCLSA-N -1 3 260.312 3.338 20 10 CGCDHM CCCCSCCC(=O)NCc1c([O-])cccc1F ZINC000928706524 638889308 /nfs/dbraw/zinc/88/93/08/638889308.db2.gz VVPRTMZZYRTNEK-UHFFFAOYSA-N -1 3 285.384 3.071 20 10 CGCDHM CC(C)c1ccoc1C(=O)NCc1c([O-])cccc1F ZINC000928709238 638889390 /nfs/dbraw/zinc/88/93/90/638889390.db2.gz ZVJQIYYNUAWLBB-UHFFFAOYSA-N -1 3 277.295 3.178 20 10 CGCDHM CC(C)c1ccc(CN(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000192885484 640414598 /nfs/dbraw/zinc/41/45/98/640414598.db2.gz IALXOOWVRWHFBD-UHFFFAOYSA-N -1 3 299.370 3.493 20 10 CGCDHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000194107795 640513208 /nfs/dbraw/zinc/51/32/08/640513208.db2.gz ANHDAICLMFEZDD-UHFFFAOYSA-N -1 3 297.763 3.155 20 10 CGCDHM [O-]c1cccc(Cl)c1CNCc1nc2c(s1)CCC2 ZINC000719541964 800242341 /nfs/dbraw/zinc/24/23/41/800242341.db2.gz WFTIVNCZFRIGSC-UHFFFAOYSA-N -1 3 294.807 3.281 20 10 CGCDHM Cc1ccc(CN(C)Cc2c([O-])cccc2Cl)cn1 ZINC001140342202 804419574 /nfs/dbraw/zinc/41/95/74/804419574.db2.gz XHTQUVYYYGLPSU-UHFFFAOYSA-N -1 3 276.767 3.381 20 10 CGCDHM CCCCOC1CN(Cc2c([O-])cccc2Cl)C1 ZINC001140345717 804420367 /nfs/dbraw/zinc/42/03/67/804420367.db2.gz YMDBCPNEOPFWIC-UHFFFAOYSA-N -1 3 269.772 3.047 20 10 CGCDHM C[C@]1(F)CCN(Cc2ccc(Cl)cc2[O-])C[C@H]1F ZINC001140462520 804441629 /nfs/dbraw/zinc/44/16/29/804441629.db2.gz IBMHYWRAPUNXTJ-OLZOCXBDSA-N -1 3 275.726 3.318 20 10 CGCDHM CN(Cc1ccco1)Cc1c([O-])cccc1Br ZINC001180359378 809995609 /nfs/dbraw/zinc/99/56/09/809995609.db2.gz JYHNZNREFYUOLB-UHFFFAOYSA-N -1 3 296.164 3.380 20 10 CGCDHM C[C@@H](C1CC1)n1cc(NCc2cc(F)c(F)cc2[O-])cn1 ZINC001181125499 810039174 /nfs/dbraw/zinc/03/91/74/810039174.db2.gz OCBUMPVXQSPALW-VIFPVBQESA-N -1 3 293.317 3.450 20 10 CGCDHM Cc1cc([O-])c(C[NH2+]Cc2c([O-])cccc2F)c(Cl)c1 ZINC001183919275 810169718 /nfs/dbraw/zinc/16/97/18/810169718.db2.gz INZUELLNRQZAIM-UHFFFAOYSA-N -1 3 295.741 3.489 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@H]1c1cnccn1 ZINC001203657300 812418640 /nfs/dbraw/zinc/41/86/40/812418640.db2.gz JDKQLMLMQDENEN-AWEZNQCLSA-N -1 3 289.766 3.173 20 10 CGCDHM Cc1nc2c(s1)CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203664558 812422927 /nfs/dbraw/zinc/42/29/27/812422927.db2.gz KMHQHAFQLGQDPV-UHFFFAOYSA-N -1 3 280.780 3.326 20 10 CGCDHM Cc1cc([C@H]2CCCN2Cc2cc(F)c(F)cc2[O-])on1 ZINC001204840191 812751216 /nfs/dbraw/zinc/75/12/16/812751216.db2.gz MBRVMIUZIPVJFH-CYBMUJFWSA-N -1 3 294.301 3.304 20 10 CGCDHM Cc1cc(NCc2ccc(Cl)cc2[O-])cc(C(N)=O)c1 ZINC001205899443 813123234 /nfs/dbraw/zinc/12/32/34/813123234.db2.gz ZHRDBKDXWMPYAY-UHFFFAOYSA-N -1 3 290.750 3.065 20 10 CGCDHM Cc1cccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])c1 ZINC001231446828 818101111 /nfs/dbraw/zinc/10/11/11/818101111.db2.gz LHLVYCCSZDDAHS-UHFFFAOYSA-N -1 3 285.343 3.031 20 10 CGCDHM Cc1cccc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])c1 ZINC001231446828 818101114 /nfs/dbraw/zinc/10/11/14/818101114.db2.gz LHLVYCCSZDDAHS-UHFFFAOYSA-N -1 3 285.343 3.031 20 10 CGCDHM [O-]c1cc(O)c(CN2Cc3ccccc3C2)cc1Cl ZINC001232259622 818295177 /nfs/dbraw/zinc/29/51/77/818295177.db2.gz ZQBAXTFSSRLVPL-UHFFFAOYSA-N -1 3 275.735 3.267 20 10 CGCDHM COc1cc([O-])c(CN2CCC(F)(F)CC2)cc1Cl ZINC001232264538 818298147 /nfs/dbraw/zinc/29/81/47/818298147.db2.gz IJIAIMSLVXBNOP-UHFFFAOYSA-N -1 3 291.725 3.285 20 10 CGCDHM C[N@H+](Cc1ccccc1[O-])Cc1ccc(F)c(F)c1[O-] ZINC001233077855 818519542 /nfs/dbraw/zinc/51/95/42/818519542.db2.gz AEINQTDEGKWHKN-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM C[N@@H+](Cc1ccccc1[O-])Cc1ccc(F)c(F)c1[O-] ZINC001233077855 818519549 /nfs/dbraw/zinc/51/95/49/818519549.db2.gz AEINQTDEGKWHKN-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCCC[C@@H]1CO ZINC001236792544 819596563 /nfs/dbraw/zinc/59/65/63/819596563.db2.gz DYODDZWWDVJRGV-SNVBAGLBSA-N -1 3 290.190 3.046 20 10 CGCDHM C[C@H]1C[C@H](O)CCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236798110 819599209 /nfs/dbraw/zinc/59/92/09/819599209.db2.gz GSPICCIJOZJITJ-WCBMZHEXSA-N -1 3 290.190 3.044 20 10 CGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC[C@H](O)CC1 ZINC001237077401 819660040 /nfs/dbraw/zinc/66/00/40/819660040.db2.gz HFJGTHDWGTZQJK-VIFPVBQESA-N -1 3 290.190 3.046 20 10 CGCDHM CC[N@H+](Cc1ccc(C(=O)[O-])cc1C)Cc1ccccc1[O-] ZINC001238144794 819940820 /nfs/dbraw/zinc/94/08/20/819940820.db2.gz LHECLNYBUHCUOE-UHFFFAOYSA-N -1 3 299.370 3.421 20 10 CGCDHM CC[N@@H+](Cc1ccc(C(=O)[O-])cc1C)Cc1ccccc1[O-] ZINC001238144794 819940824 /nfs/dbraw/zinc/94/08/24/819940824.db2.gz LHECLNYBUHCUOE-UHFFFAOYSA-N -1 3 299.370 3.421 20 10 CGCDHM Cc1cc(F)c(C(=O)NCc2c([O-])cccc2F)c(F)c1 ZINC001303876095 932836552 /nfs/dbraw/zinc/83/65/52/932836552.db2.gz UKEKXSOMPDFLCI-UHFFFAOYSA-N -1 3 295.260 3.048 20 10 CGCDHM CC(C)Oc1cccnc1NCc1cccc(F)c1[O-] ZINC001308697060 933160520 /nfs/dbraw/zinc/16/05/20/933160520.db2.gz UQGFRVLQJGNMTI-UHFFFAOYSA-N -1 3 276.311 3.326 20 10 CGCDHM CCOc1ncccc1CN[C@H](C)c1c([O-])cccc1F ZINC001331255225 935362793 /nfs/dbraw/zinc/36/27/93/935362793.db2.gz UZCPSBRCDOOQMC-LLVKDONJSA-N -1 3 290.338 3.176 20 10 CGCDHM CCn1nc(CNCc2c([O-])cccc2F)c2ccccc21 ZINC001474716299 937876915 /nfs/dbraw/zinc/87/69/15/937876915.db2.gz IGGGDENUGMGZHX-UHFFFAOYSA-N -1 3 299.349 3.191 20 10 CGCDHM Cc1ccc(C(=O)NCc2c([O-])cccc2F)c(C)c1 ZINC001558455244 938215554 /nfs/dbraw/zinc/21/55/54/938215554.db2.gz KSWVPALZJJEGQP-UHFFFAOYSA-N -1 3 273.307 3.078 20 10 CGCDHM CC[C@H]1CO[C@H](C)CN1Cc1c([O-])cc(C)cc1Cl ZINC001560726954 938272750 /nfs/dbraw/zinc/27/27/50/938272750.db2.gz LPEKQDFNNBOCLO-NEPJUHHUSA-N -1 3 283.799 3.353 20 10 CGCDHM C[C@@H](c1ccccc1)[N@H+](CCC(=O)[O-])Cc1ccccc1[O-] ZINC001593709676 996206313 /nfs/dbraw/zinc/20/63/13/996206313.db2.gz AVDHYGTXMGFORE-AWEZNQCLSA-N -1 3 299.370 3.430 20 10 CGCDHM C[C@@H](c1ccccc1)[N@@H+](CCC(=O)[O-])Cc1ccccc1[O-] ZINC001593709676 996206318 /nfs/dbraw/zinc/20/63/18/996206318.db2.gz AVDHYGTXMGFORE-AWEZNQCLSA-N -1 3 299.370 3.430 20 10 CGCDHM [O-]c1ccc(F)cc1CNc1cccc(C2CC2)n1 ZINC000293973756 372542785 /nfs/dbraw/zinc/54/27/85/372542785.db2.gz QVCNKMKWXIZCJQ-UHFFFAOYSA-N -1 3 258.296 3.416 20 10 CGCDHM CS[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294966817 372682881 /nfs/dbraw/zinc/68/28/81/372682881.db2.gz FJIODCBKDUNSQL-VIFPVBQESA-N -1 3 275.776 3.122 20 10 CGCDHM Cc1cccc(NC(=O)CN(C)Cc2ccccc2[O-])c1C ZINC000171926280 372855042 /nfs/dbraw/zinc/85/50/42/372855042.db2.gz XUOXLPQWANXAIP-UHFFFAOYSA-N -1 3 298.386 3.080 20 10 CGCDHM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000273406761 378746076 /nfs/dbraw/zinc/74/60/76/378746076.db2.gz ONYOMVFNOQAACM-QWRGUYRKSA-N -1 3 287.319 3.107 20 10 CGCDHM Cc1ccc(C(=O)N2[C@@H](C)C[C@H]3CCCC[C@@H]32)c([O-])c1O ZINC000177686538 392666076 /nfs/dbraw/zinc/66/60/76/392666076.db2.gz MFMUNSOJDVZYPX-SCRDCRAPSA-N -1 3 289.375 3.199 20 10 CGCDHM CCn1ccnc1[C@@H]1CCCCN1Cc1ccccc1[O-] ZINC000281228441 263067376 /nfs/dbraw/zinc/06/73/76/263067376.db2.gz VNXDZURKQXBBBK-HNNXBMFYSA-N -1 3 285.391 3.336 20 10 CGCDHM Cc1nccn1CCCN(C)Cc1c([O-])cccc1Cl ZINC000290452412 263116675 /nfs/dbraw/zinc/11/66/75/263116675.db2.gz MKXNUUDZTZGAOW-UHFFFAOYSA-N -1 3 293.798 3.073 20 10 CGCDHM COC[C@@H](N[C@H](C)c1cc(F)ccc1[O-])c1ccc(C)o1 ZINC000185631158 327841690 /nfs/dbraw/zinc/84/16/90/327841690.db2.gz QLLCSAQJHHLRHF-BXUZGUMPSA-N -1 3 293.338 3.471 20 10 CGCDHM [O-]c1ccccc1CN1CCC[C@@H]1c1nccs1 ZINC000378492785 329052772 /nfs/dbraw/zinc/05/27/72/329052772.db2.gz HZCLRXVAGAAHCC-GFCCVEGCSA-N -1 3 260.362 3.186 20 10 CGCDHM CCCCN(Cc1ccccc1[O-])[C@H](C)c1noc(C)n1 ZINC000289457449 520548689 /nfs/dbraw/zinc/54/86/89/520548689.db2.gz VKPFDHLJOALGNZ-GFCCVEGCSA-N -1 3 289.379 3.447 20 10 CGCDHM CCCC[C@H](C)N(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000292042715 521141550 /nfs/dbraw/zinc/14/15/50/521141550.db2.gz ROOGANSRBXAMSD-NSHDSACASA-N -1 3 265.353 3.057 20 10 CGCDHM Cc1ccc(C(=O)N(Cc2ccco2)C(C)C)c([O-])c1O ZINC000272887184 526076430 /nfs/dbraw/zinc/07/64/30/526076430.db2.gz YRJDRUICENONKU-UHFFFAOYSA-N -1 3 289.331 3.050 20 10 CGCDHM [O-]c1c(F)cccc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000290363270 526328322 /nfs/dbraw/zinc/32/83/22/526328322.db2.gz AAVCIAWGKHNISM-GDBMZVCRSA-N -1 3 291.366 3.065 20 10 CGCDHM CN(Cc1nc(-c2ccccc2)no1)Cc1ccccc1[O-] ZINC000732202812 572451627 /nfs/dbraw/zinc/45/16/27/572451627.db2.gz FMFZRCZINNANKJ-UHFFFAOYSA-N -1 3 295.342 3.074 20 10 CGCDHM O=C(Nc1cccc(-n2cccc2)c1)c1cc([O-])cs1 ZINC000732267564 572455867 /nfs/dbraw/zinc/45/58/67/572455867.db2.gz KPZABJAFUYSOJS-UHFFFAOYSA-N -1 3 284.340 3.497 20 10 CGCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)c2ccccc21 ZINC000732272059 572455915 /nfs/dbraw/zinc/45/59/15/572455915.db2.gz FVYRLVWOKZZFBN-VIFPVBQESA-N -1 3 259.330 3.218 20 10 CGCDHM Cc1cc(C)cc(C[C@H](C)NC(=O)c2cc([O-])cs2)c1 ZINC000743716154 572680169 /nfs/dbraw/zinc/68/01/69/572680169.db2.gz DNDBICVTCLEKNW-LBPRGKRZSA-N -1 3 289.400 3.432 20 10 CGCDHM CCOc1ccc(CNC(C)(C)c2nccs2)c([O-])c1 ZINC000734850138 572687103 /nfs/dbraw/zinc/68/71/03/572687103.db2.gz QTMDFHFFHRVTEC-UHFFFAOYSA-N -1 3 292.404 3.272 20 10 CGCDHM CCS[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000748857667 572986917 /nfs/dbraw/zinc/98/69/17/572986917.db2.gz DUEBLSGJHBXZHR-GXSJLCMTSA-N -1 3 285.434 3.248 20 10 CGCDHM CC[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](C)O1 ZINC000245567651 618166254 /nfs/dbraw/zinc/16/62/54/618166254.db2.gz UPPGBMOENXYHHQ-MFKMUULPSA-N -1 3 269.772 3.045 20 10 CGCDHM Cc1cc([O-])c(CN2CC[C@H]2C(F)F)c(Cl)c1 ZINC000895431613 619825452 /nfs/dbraw/zinc/82/54/52/619825452.db2.gz NQMQYKBXRMOWAH-JTQLQIEISA-N -1 3 261.699 3.193 20 10 CGCDHM C[C@]1(C(=O)NCc2c([O-])cccc2F)CCc2ccccc21 ZINC000928705920 620207901 /nfs/dbraw/zinc/20/79/01/620207901.db2.gz MORZBZJNTJCYAI-SFHVURJKSA-N -1 3 299.345 3.052 20 10 CGCDHM Cc1ccc(C(=O)Nc2c(C)cccc2F)c([O-])c1O ZINC000182992875 625040482 /nfs/dbraw/zinc/04/04/82/625040482.db2.gz HMLAXCVFGGAGJP-UHFFFAOYSA-N -1 3 275.279 3.106 20 10 CGCDHM Cc1noc(C)c1CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756460539 626707007 /nfs/dbraw/zinc/70/70/07/626707007.db2.gz QHXHRONOHBJWCZ-SSDOTTSWSA-N -1 3 282.290 3.126 20 10 CGCDHM Cc1ccc2nc(CN[C@H](C)c3ccc(F)cc3[O-])cn2c1 ZINC000756531998 626712787 /nfs/dbraw/zinc/71/27/87/626712787.db2.gz CLXKXKFJMFEEKH-GFCCVEGCSA-N -1 3 299.349 3.338 20 10 CGCDHM COc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])nc1 ZINC000756843396 626737340 /nfs/dbraw/zinc/73/73/40/626737340.db2.gz DUNLHNXOEOHHIO-VIFPVBQESA-N -1 3 262.284 3.108 20 10 CGCDHM Cc1ccccc1C[C@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000773214181 627867600 /nfs/dbraw/zinc/86/76/00/627867600.db2.gz LTCGLSNTGIVWAO-ZDUSSCGKSA-N -1 3 299.370 3.109 20 10 CGCDHM Cc1cccc(C(C)(C)CNC(=O)c2cccc(O)c2[O-])c1 ZINC000776342921 628195432 /nfs/dbraw/zinc/19/54/32/628195432.db2.gz MJFPLKHVZKAUBO-UHFFFAOYSA-N -1 3 299.370 3.114 20 10 CGCDHM CCc1cc(NCc2c([O-])cccc2Cl)no1 ZINC000777519240 628277077 /nfs/dbraw/zinc/27/70/77/628277077.db2.gz CQRWSROSYUXWEE-UHFFFAOYSA-N -1 3 252.701 3.208 20 10 CGCDHM CC(C)(C)C[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000790599180 629219892 /nfs/dbraw/zinc/21/98/92/629219892.db2.gz ULXFJFUCRRYYOE-NSHDSACASA-N -1 3 277.364 3.139 20 10 CGCDHM CC(C)(C)c1cnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC000790796461 629231678 /nfs/dbraw/zinc/23/16/78/629231678.db2.gz FRCANDQEMXCFLP-UHFFFAOYSA-N -1 3 292.360 3.104 20 10 CGCDHM CCc1ccc(CC)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790820750 629234463 /nfs/dbraw/zinc/23/44/63/629234463.db2.gz FQVNEEPUNULEQR-UHFFFAOYSA-N -1 3 285.343 3.475 20 10 CGCDHM CC(C)[C@@H]1CCN1Cc1c([O-])ccc(Cl)c1F ZINC000792173491 629345217 /nfs/dbraw/zinc/34/52/17/629345217.db2.gz ZUUOMSLNUGQMEW-NSHDSACASA-N -1 3 257.736 3.415 20 10 CGCDHM CN(Cc1ccc2ccccc2c1[O-])CC(F)F ZINC000816496887 631994863 /nfs/dbraw/zinc/99/48/63/631994863.db2.gz BREQZEYAUMLZMI-UHFFFAOYSA-N -1 3 251.276 3.242 20 10 CGCDHM CC(C)C1CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816594751 632019178 /nfs/dbraw/zinc/01/91/78/632019178.db2.gz OGKWKSPFTNIXHZ-UHFFFAOYSA-N -1 3 257.736 3.273 20 10 CGCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)[C@@H]2C)c1 ZINC000816648983 632035595 /nfs/dbraw/zinc/03/55/95/632035595.db2.gz RNQMJYYPQGHZLE-ZJUUUORDSA-N -1 3 284.197 3.303 20 10 CGCDHM Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c1[O-] ZINC000818631547 632343323 /nfs/dbraw/zinc/34/33/23/632343323.db2.gz IXOGQOBYRJOQMK-TVQRCGJNSA-N -1 3 297.782 3.039 20 10 CGCDHM Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c1[O-] ZINC000818631547 632343326 /nfs/dbraw/zinc/34/33/26/632343326.db2.gz IXOGQOBYRJOQMK-TVQRCGJNSA-N -1 3 297.782 3.039 20 10 CGCDHM Cc1cc([O-])c(CN(C)Cc2cscn2)cc1Cl ZINC000824627075 633265575 /nfs/dbraw/zinc/26/55/75/633265575.db2.gz HLSWCLMPMUENAN-UHFFFAOYSA-N -1 3 282.796 3.443 20 10 CGCDHM Cc1cc([O-])c(CN(C)[C@@H](C)C(=O)OC(C)C)cc1Cl ZINC000824894193 633303117 /nfs/dbraw/zinc/30/31/17/633303117.db2.gz BWLZYDGBIPJFRO-NSHDSACASA-N -1 3 299.798 3.126 20 10 CGCDHM Cc1noc([C@H](C)N(C)Cc2cc(Cl)c(C)cc2[O-])n1 ZINC000826535416 633411779 /nfs/dbraw/zinc/41/17/79/633411779.db2.gz WKXXXSRMSACVLP-VIFPVBQESA-N -1 3 295.770 3.238 20 10 CGCDHM CN(CC1=CCSC1)Cc1c([O-])ccc(Cl)c1F ZINC000827805901 633519934 /nfs/dbraw/zinc/51/99/34/633519934.db2.gz NKSDJHPKXKBRLV-UHFFFAOYSA-N -1 3 287.787 3.290 20 10 CGCDHM CC(C)N(Cc1cccs1)C(=O)c1cccc(O)c1[O-] ZINC000126294406 634953191 /nfs/dbraw/zinc/95/31/91/634953191.db2.gz NQJDJAYISPLKAA-UHFFFAOYSA-N -1 3 291.372 3.210 20 10 CGCDHM Cc1cc([O-])c(CN[C@@H]2C[C@H](C)n3ccnc32)c(Cl)c1 ZINC000840949794 635090496 /nfs/dbraw/zinc/09/04/96/635090496.db2.gz CEAJIGWRIMXSGL-GXFFZTMASA-N -1 3 291.782 3.346 20 10 CGCDHM C[C@@H](NCc1ncccn1)c1cccc(C(F)(F)F)c1[O-] ZINC000850551103 637117867 /nfs/dbraw/zinc/11/78/67/637117867.db2.gz DKYMWNBBESVQRL-SECBINFHSA-N -1 3 297.280 3.052 20 10 CGCDHM Cc1nc(CN[C@H](C)c2c([O-])cccc2F)cs1 ZINC000886508654 637545888 /nfs/dbraw/zinc/54/58/88/637545888.db2.gz JDURNZQIBMDPBT-MRVPVSSYSA-N -1 3 266.341 3.147 20 10 CGCDHM CC(C)c1cc(CN[C@@H](C)c2c([O-])cccc2F)on1 ZINC000886528158 637554623 /nfs/dbraw/zinc/55/46/23/637554623.db2.gz HWZJDIXPKGGISB-JTQLQIEISA-N -1 3 278.327 3.494 20 10 CGCDHM COCCc1ccnc(N[C@@H](C)c2c([O-])cccc2F)c1 ZINC000886609591 637603580 /nfs/dbraw/zinc/60/35/80/637603580.db2.gz WWWWUBXMSDDNRJ-NSHDSACASA-N -1 3 290.338 3.288 20 10 CGCDHM C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1c([O-])cccc1F ZINC000886620091 637612952 /nfs/dbraw/zinc/61/29/52/637612952.db2.gz BPKPMEHZIGBKQT-JFGNBEQYSA-N -1 3 275.327 3.084 20 10 CGCDHM C[C@@H](N[C@H](C)c1c([O-])cccc1F)c1ccns1 ZINC000886643279 637623574 /nfs/dbraw/zinc/62/35/74/637623574.db2.gz PXHBGOJQTHTYGK-RKDXNWHRSA-N -1 3 266.341 3.400 20 10 CGCDHM C[S@](=O)(=NC(=O)c1cc([O-])cs1)C1CCCCC1 ZINC000926033136 638681249 /nfs/dbraw/zinc/68/12/49/638681249.db2.gz VDUIJSONGWYYEC-GOSISDBHSA-N -1 3 287.406 3.024 20 10 CGCDHM CCC[C@@](C)(CC)C(=O)NCc1c([O-])cccc1F ZINC000928707412 638889239 /nfs/dbraw/zinc/88/92/39/638889239.db2.gz DJHKECRTQMVHQW-OAHLLOKOSA-N -1 3 267.344 3.364 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCCOc2ccccc21 ZINC000158879168 640022809 /nfs/dbraw/zinc/02/28/09/640022809.db2.gz DYMKZTIUCHUADN-UHFFFAOYSA-N -1 3 273.307 3.320 20 10 CGCDHM C[C@H](CCC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000395366891 799505164 /nfs/dbraw/zinc/50/51/64/799505164.db2.gz NJUYWINRYVCUSN-SNVBAGLBSA-N -1 3 265.353 3.042 20 10 CGCDHM C[C@@H](NCc1cc(Cl)ccc1[O-])c1cscn1 ZINC000697917461 799851250 /nfs/dbraw/zinc/85/12/50/799851250.db2.gz NRMKJRGBJWMSHK-MRVPVSSYSA-N -1 3 268.769 3.353 20 10 CGCDHM C[C@@]1(C(F)(F)F)CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000708435308 799988216 /nfs/dbraw/zinc/98/82/16/799988216.db2.gz ZLUCDVHUVLSXDZ-GFCCVEGCSA-N -1 3 295.251 3.445 20 10 CGCDHM Cc1cnc([C@@H](C)NCc2cc(F)cc(F)c2[O-])s1 ZINC000708548465 799992204 /nfs/dbraw/zinc/99/22/04/799992204.db2.gz FYLVGCIEIWTUPQ-MRVPVSSYSA-N -1 3 284.331 3.286 20 10 CGCDHM Cc1cc2c(cn1)CN(Cc1c([O-])cccc1Cl)C2 ZINC001140341585 804419531 /nfs/dbraw/zinc/41/95/31/804419531.db2.gz XNDMFEPCMCLRDC-UHFFFAOYSA-N -1 3 274.751 3.265 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CCc2c(O)cccc2C1 ZINC001140461671 804441443 /nfs/dbraw/zinc/44/14/43/804441443.db2.gz QCOORSLNJXDYEF-UHFFFAOYSA-N -1 3 289.762 3.310 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H]1c1ccncc1 ZINC001142520474 804730445 /nfs/dbraw/zinc/73/04/45/804730445.db2.gz KCTOUYWOUCEQIH-OAHLLOKOSA-N -1 3 290.313 3.403 20 10 CGCDHM CN(Cc1cccs1)Cc1cc(F)c(F)cc1[O-] ZINC001142521124 804731273 /nfs/dbraw/zinc/73/12/73/804731273.db2.gz YJQPDNBLHQTMOZ-UHFFFAOYSA-N -1 3 269.316 3.364 20 10 CGCDHM CC[N@H+](Cc1sccc1C(=O)[O-])Cc1ccccc1[O-] ZINC001144679823 805033973 /nfs/dbraw/zinc/03/39/73/805033973.db2.gz GAGDBSFZPNYMMG-UHFFFAOYSA-N -1 3 291.372 3.174 20 10 CGCDHM CC[N@@H+](Cc1sccc1C(=O)[O-])Cc1ccccc1[O-] ZINC001144679823 805033982 /nfs/dbraw/zinc/03/39/82/805033982.db2.gz GAGDBSFZPNYMMG-UHFFFAOYSA-N -1 3 291.372 3.174 20 10 CGCDHM O=C(Nc1cc(F)cc2cccnc21)c1cccc(O)c1[O-] ZINC001148218385 805168441 /nfs/dbraw/zinc/16/84/41/805168441.db2.gz AITCTBOKRSKTTB-UHFFFAOYSA-N -1 3 298.273 3.037 20 10 CGCDHM Cc1cc(NCc2cc3ccccc3cc2[O-])cn(C)c1=O ZINC001171407363 808049387 /nfs/dbraw/zinc/04/93/87/808049387.db2.gz OMXLVIYZKDIZFY-UHFFFAOYSA-N -1 3 294.354 3.165 20 10 CGCDHM [O-]c1cc(Cl)ccc1CNCc1nc2ccccc2o1 ZINC001183910063 810168084 /nfs/dbraw/zinc/16/80/84/810168084.db2.gz TXLUGWUHXAIDNA-UHFFFAOYSA-N -1 3 288.734 3.477 20 10 CGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCCC[C@H](O)C1 ZINC001203574282 812396929 /nfs/dbraw/zinc/39/69/29/812396929.db2.gz SLNWEBVJWSDXOO-NSHDSACASA-N -1 3 290.190 3.046 20 10 CGCDHM C[C@H]1CCN(Cc2ccc(Cl)cc2[O-])C[C@@H]1F ZINC001204983932 812810792 /nfs/dbraw/zinc/81/07/92/812810792.db2.gz DOJVGXSFTZEVAG-CABZTGNLSA-N -1 3 257.736 3.226 20 10 CGCDHM CC[C@@]1(C)COCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001205474841 812989612 /nfs/dbraw/zinc/98/96/12/812989612.db2.gz DWRQUKUNWZMHCW-HNNXBMFYSA-N -1 3 283.799 3.355 20 10 CGCDHM CC(=O)c1cc(Nc2cc(Cl)c(Cl)cc2[O-])ccn1 ZINC001210597777 814548225 /nfs/dbraw/zinc/54/82/25/814548225.db2.gz OEKNVBGPCOMKLS-UHFFFAOYSA-N -1 3 297.141 3.462 20 10 CGCDHM CCCC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231450220 818100294 /nfs/dbraw/zinc/10/02/94/818100294.db2.gz BQUWOYSWLGSJGN-UHFFFAOYSA-N -1 3 277.364 3.103 20 10 CGCDHM [O-]c1c(CN2C[C@@H](F)C[C@H]2CF)ccc2ccccc21 ZINC001231879545 818199960 /nfs/dbraw/zinc/19/99/60/818199960.db2.gz HZAKNDWXUGKABZ-KBPBESRZSA-N -1 3 277.314 3.427 20 10 CGCDHM C[C@]1(F)CCCN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232259045 818296357 /nfs/dbraw/zinc/29/63/57/818296357.db2.gz HHTURABKXPQEJD-ZDUSSCGKSA-N -1 3 273.735 3.075 20 10 CGCDHM [O-]c1cc(C(F)(F)F)ccc1CN1Cc2cccnc2C1 ZINC001233451217 818623399 /nfs/dbraw/zinc/62/33/99/818623399.db2.gz BXAMZOKCKLHGSY-UHFFFAOYSA-N -1 3 294.276 3.322 20 10 CGCDHM CCO[C@@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236799619 819600522 /nfs/dbraw/zinc/60/05/22/819600522.db2.gz QDHIFBOPVDZLAB-SNVBAGLBSA-N -1 3 290.190 3.310 20 10 CGCDHM CCCO[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237620779 819788793 /nfs/dbraw/zinc/78/87/93/819788793.db2.gz PZYVIEWQLIRZII-LBPRGKRZSA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1cc(Cl)c(F)cc1CN1CC2CC(C2)C1 ZINC001237940686 819889068 /nfs/dbraw/zinc/88/90/68/819889068.db2.gz MZNLROJTRBOUSG-UHFFFAOYSA-N -1 3 255.720 3.027 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCc2cccc(F)c21 ZINC001462204165 937624560 /nfs/dbraw/zinc/62/45/60/937624560.db2.gz SDNOZFAYCWKRDY-UHFFFAOYSA-N -1 3 279.261 3.372 20 10 CGCDHM CCC[C@H]1CCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001471975718 937771187 /nfs/dbraw/zinc/77/11/87/937771187.db2.gz FAYAZZABJYHFTJ-NWDGAFQWSA-N -1 3 279.355 3.364 20 10 CGCDHM O=C(/C=C/C1CCCCC1)NCc1c([O-])cccc1F ZINC001558454512 938215520 /nfs/dbraw/zinc/21/55/20/938215520.db2.gz HVZCUPDYQPTPGY-MDZDMXLPSA-N -1 3 277.339 3.284 20 10 CGCDHM C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])c(F)c1)c1ccccc1[O-] ZINC001599841510 988844428 /nfs/dbraw/zinc/84/44/28/988844428.db2.gz MTSASGGBBILTQQ-SNVBAGLBSA-N -1 3 289.306 3.080 20 10 CGCDHM CC[C@@H](NCc1snnc1C)c1cccc(Cl)c1[O-] ZINC000293655364 372438877 /nfs/dbraw/zinc/43/88/77/372438877.db2.gz LOJHUVJBVLIDLL-LLVKDONJSA-N -1 3 297.811 3.446 20 10 CGCDHM C[C@H](N[C@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000169520494 372629763 /nfs/dbraw/zinc/62/97/63/372629763.db2.gz AOCYTOVTKNCQLT-XHDPSFHLSA-N -1 3 291.778 3.430 20 10 CGCDHM Cc1cc(CN(C)Cc2cc(Cl)cc(C)c2[O-])no1 ZINC000179735163 373909934 /nfs/dbraw/zinc/90/99/34/373909934.db2.gz HSGKMXNNHJVLKK-UHFFFAOYSA-N -1 3 280.755 3.282 20 10 CGCDHM CC[C@@H](NCc1csc(COC)n1)c1ccccc1[O-] ZINC000271663550 378501286 /nfs/dbraw/zinc/50/12/86/378501286.db2.gz DTQSENYMAFANRD-CYBMUJFWSA-N -1 3 292.404 3.236 20 10 CGCDHM CC[C@H](C)[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000279080851 379411943 /nfs/dbraw/zinc/41/19/43/379411943.db2.gz DYTHNSADLUCCPK-WCQYABFASA-N -1 3 277.364 3.139 20 10 CGCDHM CCc1nnc([C@@H](C)N[C@H](CC)c2ccc(F)cc2[O-])[nH]1 ZINC000286174783 380171494 /nfs/dbraw/zinc/17/14/94/380171494.db2.gz QBJYEKNYWBLPOR-BXKDBHETSA-N -1 3 292.358 3.014 20 10 CGCDHM C[C@@H]1CCC[C@@H](N(C)C(=O)c2cc([O-])cs2)C1 ZINC000732268667 572455530 /nfs/dbraw/zinc/45/55/30/572455530.db2.gz JZVMJGOEQPULBU-NXEZZACHSA-N -1 3 253.367 3.104 20 10 CGCDHM Cc1ccc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)c([O-])c1O ZINC000177686549 392666145 /nfs/dbraw/zinc/66/61/45/392666145.db2.gz MFMUNSOJDVZYPX-DYEKYZERSA-N -1 3 289.375 3.199 20 10 CGCDHM CC(C)CO[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000180723316 392712120 /nfs/dbraw/zinc/71/21/20/392712120.db2.gz YTHKORSOMFNMOP-CYBMUJFWSA-N -1 3 283.799 3.293 20 10 CGCDHM CC[C@@H](NCc1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000287855966 263102944 /nfs/dbraw/zinc/10/29/44/263102944.db2.gz XBJYWEWIAIJKFY-CYBMUJFWSA-N -1 3 279.771 3.020 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCC[C@H]1c1nccs1 ZINC000378490023 329052512 /nfs/dbraw/zinc/05/25/12/329052512.db2.gz CMEXRTYISHMBFO-LBPRGKRZSA-N -1 3 278.352 3.325 20 10 CGCDHM Cc1cc([O-])c(CNCc2cccnc2C)c(Cl)c1 ZINC000527793671 330283703 /nfs/dbraw/zinc/28/37/03/330283703.db2.gz LYOKQHXOFUIRCK-UHFFFAOYSA-N -1 3 276.767 3.347 20 10 CGCDHM Cc1nn(C)c(C)c1N[C@H](C)c1ccc(F)cc1[O-] ZINC000062745063 527651034 /nfs/dbraw/zinc/65/10/34/527651034.db2.gz YBICPAJBLQAFCZ-MRVPVSSYSA-N -1 3 263.316 3.055 20 10 CGCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)[C@H]1c1ccccc1 ZINC000743778883 572404819 /nfs/dbraw/zinc/40/48/19/572404819.db2.gz QFZQSLAWFPYCAO-QMTHXVAHSA-N -1 3 273.357 3.287 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]1C1CCCC1 ZINC000731870269 572430506 /nfs/dbraw/zinc/43/05/06/572430506.db2.gz KACKNXDBNFTYHC-GFCCVEGCSA-N -1 3 265.378 3.249 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]1c1ccccc1 ZINC000731867664 572433163 /nfs/dbraw/zinc/43/31/63/572433163.db2.gz OUTCFHAMTGQQJE-CYBMUJFWSA-N -1 3 273.357 3.431 20 10 CGCDHM O=C(NCCc1cc2ccccc2o1)c1cc([O-])cs1 ZINC000740127855 572433313 /nfs/dbraw/zinc/43/33/13/572433313.db2.gz IMJAXELATUZOJC-UHFFFAOYSA-N -1 3 287.340 3.172 20 10 CGCDHM O=C(Nc1cccc2cnccc21)c1cc([O-])cs1 ZINC000732266439 572455016 /nfs/dbraw/zinc/45/50/16/572455016.db2.gz CBYLAFOXPQRBFR-UHFFFAOYSA-N -1 3 270.313 3.254 20 10 CGCDHM COc1ccc(F)cc1[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000732272318 572455674 /nfs/dbraw/zinc/45/56/74/572455674.db2.gz DAOSVHPGOXQVJO-MRVPVSSYSA-N -1 3 295.335 3.092 20 10 CGCDHM CC[C@@H](NC(=O)c1cc([O-])cs1)c1ccccc1OC ZINC000732270549 572456091 /nfs/dbraw/zinc/45/60/91/572456091.db2.gz XHFGEKNWWICZEJ-GFCCVEGCSA-N -1 3 291.372 3.343 20 10 CGCDHM O=C(Nc1ccc2ncccc2c1)c1cc([O-])cs1 ZINC000732276980 572457057 /nfs/dbraw/zinc/45/70/57/572457057.db2.gz ZCIROTZAZPMRBN-UHFFFAOYSA-N -1 3 270.313 3.254 20 10 CGCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)c1ccc(F)cc1 ZINC000732353772 572461304 /nfs/dbraw/zinc/46/13/04/572461304.db2.gz VBSKTZVDSXQLHH-QMMMGPOBSA-N -1 3 294.303 3.021 20 10 CGCDHM [O-]c1cccc(Cl)c1CNCc1cn2ccsc2n1 ZINC000733325923 572556189 /nfs/dbraw/zinc/55/61/89/572556189.db2.gz YSFXXRRRADZUBB-UHFFFAOYSA-N -1 3 293.779 3.045 20 10 CGCDHM Cc1cccnc1[C@H](NC(=O)c1cc([O-])cs1)C(C)C ZINC000743588578 572672443 /nfs/dbraw/zinc/67/24/43/572672443.db2.gz DATFNFWNTMGPPV-CYBMUJFWSA-N -1 3 290.388 3.284 20 10 CGCDHM Cc1csc([C@H](NC(=O)c2cc([O-])cs2)C2CC2)n1 ZINC000743679231 572677891 /nfs/dbraw/zinc/67/78/91/572677891.db2.gz YNGAOQCNVHEIJO-LLVKDONJSA-N -1 3 294.401 3.100 20 10 CGCDHM O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc([O-])cs1 ZINC000743712524 572680237 /nfs/dbraw/zinc/68/02/37/572680237.db2.gz ROVKWOZMFIJRAQ-GMTAPVOTSA-N -1 3 265.378 3.152 20 10 CGCDHM C[C@@H](C[N@H+](Cc1c([O-])ccc2ccccc21)C1CC1)C(=O)[O-] ZINC000736583145 572800298 /nfs/dbraw/zinc/80/02/98/572800298.db2.gz KTPFVAZJFVJCFT-LBPRGKRZSA-N -1 3 299.370 3.231 20 10 CGCDHM C[C@@H](C[N@@H+](Cc1c([O-])ccc2ccccc21)C1CC1)C(=O)[O-] ZINC000736583145 572800304 /nfs/dbraw/zinc/80/03/04/572800304.db2.gz KTPFVAZJFVJCFT-LBPRGKRZSA-N -1 3 299.370 3.231 20 10 CGCDHM CCCCO[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)C1(C)C ZINC000748860608 572986980 /nfs/dbraw/zinc/98/69/80/572986980.db2.gz SLBMZXMDEWGIEM-STQMWFEESA-N -1 3 297.420 3.167 20 10 CGCDHM CC1(C)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167298 629343521 /nfs/dbraw/zinc/34/35/21/629343521.db2.gz GWMXKFVJEKEYEO-UHFFFAOYSA-N -1 3 257.736 3.417 20 10 CGCDHM CCCC[C@@H](C(=O)[O-])[N@H+](CCC)Cc1ccccc1[O-] ZINC000829277145 600852167 /nfs/dbraw/zinc/85/21/67/600852167.db2.gz RLVWLRQHXACXDD-AWEZNQCLSA-N -1 3 279.380 3.248 20 10 CGCDHM CCCC[C@@H](C(=O)[O-])[N@@H+](CCC)Cc1ccccc1[O-] ZINC000829277145 600852170 /nfs/dbraw/zinc/85/21/70/600852170.db2.gz RLVWLRQHXACXDD-AWEZNQCLSA-N -1 3 279.380 3.248 20 10 CGCDHM Cc1ccc(C(=O)N2C[C@@H](C)c3ccccc32)c([O-])c1O ZINC000182056247 619031533 /nfs/dbraw/zinc/03/15/33/619031533.db2.gz LUMUANQQZKAGBB-LLVKDONJSA-N -1 3 283.327 3.170 20 10 CGCDHM C[C@H](c1ccccn1)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894424195 619529892 /nfs/dbraw/zinc/52/98/92/619529892.db2.gz WTTNIMPFLPFWPR-SNVBAGLBSA-N -1 3 278.302 3.258 20 10 CGCDHM COc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000062744684 623264432 /nfs/dbraw/zinc/26/44/32/623264432.db2.gz GWCVLWJKKMJEJT-VIFPVBQESA-N -1 3 262.284 3.108 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN[C@@H]1CCCc2cccnc21 ZINC000922877061 626060541 /nfs/dbraw/zinc/06/05/41/626060541.db2.gz CDQYBYIBROXCLW-CQSZACIVSA-N -1 3 290.313 3.233 20 10 CGCDHM Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1C ZINC000751530568 626394616 /nfs/dbraw/zinc/39/46/16/626394616.db2.gz OEKLFXKMLGDUPY-UHFFFAOYSA-N -1 3 271.316 3.275 20 10 CGCDHM Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c([O-])c1O ZINC000751533213 626394895 /nfs/dbraw/zinc/39/48/95/626394895.db2.gz MJDBXTNKLRCHIM-UHFFFAOYSA-N -1 3 295.697 3.451 20 10 CGCDHM C[C@@H](NCc1ccoc1)c1cc(F)cc(F)c1[O-] ZINC000756448576 626706742 /nfs/dbraw/zinc/70/67/42/626706742.db2.gz CLHPTCAYPSKXHS-MRVPVSSYSA-N -1 3 253.248 3.114 20 10 CGCDHM C[C@H]1c2cccn2CCN1Cc1c([O-])cccc1Cl ZINC000768161623 627464280 /nfs/dbraw/zinc/46/42/80/627464280.db2.gz ITFJULXGJTVOIG-NSHDSACASA-N -1 3 276.767 3.424 20 10 CGCDHM C[C@H](N[C@H](CCO)c1ccco1)c1cc(F)cc(F)c1[O-] ZINC000769418528 627550418 /nfs/dbraw/zinc/55/04/18/627550418.db2.gz RZWSWLZWTWWKQB-TVQRCGJNSA-N -1 3 297.301 3.038 20 10 CGCDHM CC1=CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775702699 628127581 /nfs/dbraw/zinc/12/75/81/628127581.db2.gz VKIZEPPXYHCDIU-UHFFFAOYSA-N -1 3 255.720 3.337 20 10 CGCDHM CC1(C)CN(Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000775710919 628128373 /nfs/dbraw/zinc/12/83/73/628128373.db2.gz PSGPNDMMIQKHMY-UHFFFAOYSA-N -1 3 287.762 3.186 20 10 CGCDHM O=S(=O)([N-]c1ccc(O)cc1)c1cccc(C(F)F)c1 ZINC000780366204 628485013 /nfs/dbraw/zinc/48/50/13/628485013.db2.gz TYIVTZDVANNOKX-UHFFFAOYSA-N -1 3 299.298 3.131 20 10 CGCDHM Cc1cc(F)cc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780985729 628528430 /nfs/dbraw/zinc/52/84/30/628528430.db2.gz ULINMTMFQZZXGM-UHFFFAOYSA-N -1 3 275.279 3.106 20 10 CGCDHM CCCCC[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000790892550 629239449 /nfs/dbraw/zinc/23/94/49/629239449.db2.gz BFNNNLOLGKWYBR-LBPRGKRZSA-N -1 3 277.364 3.283 20 10 CGCDHM Cc1ncsc1CNCc1c([O-])ccc(Cl)c1F ZINC000790959938 629243787 /nfs/dbraw/zinc/24/37/87/629243787.db2.gz MCCYPGCHLRUYNK-UHFFFAOYSA-N -1 3 286.759 3.239 20 10 CGCDHM CCC[N@H+](Cc1ccccc1[O-])[C@@H](CC(C)C)C(=O)[O-] ZINC000863530193 629599366 /nfs/dbraw/zinc/59/93/66/629599366.db2.gz UNJXPJOHBONYTR-AWEZNQCLSA-N -1 3 279.380 3.104 20 10 CGCDHM CCC[N@@H+](Cc1ccccc1[O-])[C@@H](CC(C)C)C(=O)[O-] ZINC000863530193 629599373 /nfs/dbraw/zinc/59/93/73/629599373.db2.gz UNJXPJOHBONYTR-AWEZNQCLSA-N -1 3 279.380 3.104 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCCC[C@H]1C(F)F ZINC000800533532 630291827 /nfs/dbraw/zinc/29/18/27/630291827.db2.gz POVGHXXOLBSJEJ-NSHDSACASA-N -1 3 259.271 3.151 20 10 CGCDHM O=C(NC[C@H]1CCCCC(F)(F)C1)c1cccc(O)c1[O-] ZINC000816789454 632051606 /nfs/dbraw/zinc/05/16/06/632051606.db2.gz OXNZYXYQASUICQ-JTQLQIEISA-N -1 3 299.317 3.043 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H]1C1CC1 ZINC000824650089 633267521 /nfs/dbraw/zinc/26/75/21/633267521.db2.gz HZWIMSONOTYXCD-NSHDSACASA-N -1 3 255.720 3.169 20 10 CGCDHM CO[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C[C@@H]1C ZINC000824815449 633294774 /nfs/dbraw/zinc/29/47/74/633294774.db2.gz PHADIHVQVBZQIB-ZANVPECISA-N -1 3 287.762 3.042 20 10 CGCDHM CC(C)(NCc1ccc(Br)cc1[O-])C(F)F ZINC000825738571 633379181 /nfs/dbraw/zinc/37/91/81/633379181.db2.gz PSEINBPMCHXJGC-UHFFFAOYSA-N -1 3 294.139 3.288 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@](C)(F)C2)c1[O-] ZINC000830212810 633840105 /nfs/dbraw/zinc/84/01/05/633840105.db2.gz VLYGSWJMFSSLIQ-OAHLLOKOSA-N -1 3 283.318 3.058 20 10 CGCDHM C[C@@]1(C2CCCCC2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000831202689 633928311 /nfs/dbraw/zinc/92/83/11/633928311.db2.gz QEPBSKNWXDRCOU-KRWDZBQOSA-N -1 3 289.375 3.283 20 10 CGCDHM COCc1ccnc(N[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000846211486 636159282 /nfs/dbraw/zinc/15/92/82/636159282.db2.gz FXOXACRWEAGBHD-SNVBAGLBSA-N -1 3 276.311 3.246 20 10 CGCDHM CC(C)(C)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126435992 635017218 /nfs/dbraw/zinc/01/72/18/635017218.db2.gz AGACCRUNTJUQQI-LBPRGKRZSA-N -1 3 291.391 3.386 20 10 CGCDHM Cc1ccncc1CN(C)Cc1ccc(F)c(F)c1[O-] ZINC000877490898 635058482 /nfs/dbraw/zinc/05/84/82/635058482.db2.gz AHHSDEPKUKEBOH-UHFFFAOYSA-N -1 3 278.302 3.006 20 10 CGCDHM CCc1cc(CNCc2c([O-])cc(C)cc2Cl)on1 ZINC000840899209 635078292 /nfs/dbraw/zinc/07/82/92/635078292.db2.gz HWCSKHFDDFTKOA-UHFFFAOYSA-N -1 3 280.755 3.194 20 10 CGCDHM CCc1noc(CC)c1CNCc1cc(F)cc(F)c1[O-] ZINC000883036066 636515567 /nfs/dbraw/zinc/51/55/67/636515567.db2.gz YUHDJSLDFKGVDG-UHFFFAOYSA-N -1 3 296.317 3.073 20 10 CGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C1CCC(F)(F)CC1 ZINC000848347454 636561380 /nfs/dbraw/zinc/56/13/80/636561380.db2.gz QOIBNUCHZXVTPG-VIFPVBQESA-N -1 3 299.317 3.042 20 10 CGCDHM CCn1ccnc1[C@@H](C)N[C@@H](C)c1c([O-])cccc1F ZINC000886620208 637612394 /nfs/dbraw/zinc/61/23/94/637612394.db2.gz FARFAGONYNEXBB-WDEREUQCSA-N -1 3 277.343 3.160 20 10 CGCDHM CCn1ccnc1[C@H](C)N[C@H](C)c1c([O-])cccc1F ZINC000886620206 637612966 /nfs/dbraw/zinc/61/29/66/637612966.db2.gz FARFAGONYNEXBB-MNOVXSKESA-N -1 3 277.343 3.160 20 10 CGCDHM C[C@H](Nc1cnn2c1CCCC2)c1c([O-])cccc1F ZINC000886645131 637627178 /nfs/dbraw/zinc/62/71/78/637627178.db2.gz RTPWBGDRHUGFHA-JTQLQIEISA-N -1 3 275.327 3.237 20 10 CGCDHM C[C@H](NCc1nn(C)cc1C(F)F)c1c([O-])cccc1F ZINC000886648087 637628551 /nfs/dbraw/zinc/62/85/51/637628551.db2.gz LEMGXKAWAVLJCB-QMMMGPOBSA-N -1 3 299.296 3.053 20 10 CGCDHM CCC(F)(F)CNCc1c([O-])cc(C)cc1Cl ZINC000858258630 638665617 /nfs/dbraw/zinc/66/56/17/638665617.db2.gz MKOMNGPTNDOLHC-UHFFFAOYSA-N -1 3 263.715 3.489 20 10 CGCDHM CC(C)(C)C1CC(C(=O)NCc2c([O-])cccc2F)C1 ZINC000928706847 638889481 /nfs/dbraw/zinc/88/94/81/638889481.db2.gz WWIWZXWCLDZBFN-UHFFFAOYSA-N -1 3 279.355 3.220 20 10 CGCDHM O=C(Cc1cccc(C2CC2)c1)NCc1c([O-])cccc1F ZINC000928705081 638889499 /nfs/dbraw/zinc/88/94/99/638889499.db2.gz DFXJWOBRMYSVAR-UHFFFAOYSA-N -1 3 299.345 3.268 20 10 CGCDHM O=C(CCCc1cccs1)NCc1c([O-])cccc1F ZINC000928709998 638889722 /nfs/dbraw/zinc/88/97/22/638889722.db2.gz ONYXVNBLCROSGS-UHFFFAOYSA-N -1 3 293.363 3.232 20 10 CGCDHM O=C(/C=C\C=C(Cl)Cl)NCc1c([O-])cccc1F ZINC001156170139 805661773 /nfs/dbraw/zinc/66/17/73/805661773.db2.gz HRWLYJGYJCGCAP-KXFIGUGUSA-N -1 3 290.121 3.023 20 10 CGCDHM COc1cc(C)ccc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC000389819476 799466195 /nfs/dbraw/zinc/46/61/95/799466195.db2.gz SSNWEKZNTGOIAC-UHFFFAOYSA-N -1 3 298.298 3.132 20 10 CGCDHM CC[C@@H]1CO[C@@H](CC)CN1Cc1cccc(Cl)c1[O-] ZINC000403891381 799572640 /nfs/dbraw/zinc/57/26/40/799572640.db2.gz WZFOLKDVBCXFAO-OLZOCXBDSA-N -1 3 283.799 3.435 20 10 CGCDHM CCN(CCC(F)(F)F)Cc1cc(F)cc(F)c1[O-] ZINC000708382829 799987474 /nfs/dbraw/zinc/98/74/74/799987474.db2.gz IKLHOSSUVOCANM-UHFFFAOYSA-N -1 3 283.240 3.445 20 10 CGCDHM CC(C)OC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708443603 799988588 /nfs/dbraw/zinc/98/85/88/799988588.db2.gz PSRNZYPCRASUFH-UHFFFAOYSA-N -1 3 285.334 3.060 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](CF)C2)c1[O-] ZINC000711468491 800061076 /nfs/dbraw/zinc/06/10/76/800061076.db2.gz DWKJTTWWUSUKNT-SNVBAGLBSA-N -1 3 285.746 3.040 20 10 CGCDHM Cc1c[nH]nc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000716468075 800172234 /nfs/dbraw/zinc/17/22/34/800172234.db2.gz DIVOONITUXLABT-UHFFFAOYSA-N -1 3 286.162 3.020 20 10 CGCDHM [O-]c1cccc(F)c1CN1CCO[C@H](c2ccccc2)C1 ZINC001137837844 803779238 /nfs/dbraw/zinc/77/92/38/803779238.db2.gz WYKLQDUXVWLGID-KRWDZBQOSA-N -1 3 287.334 3.105 20 10 CGCDHM O=C1CCN(Cc2ccc(Cl)cc2[O-])[C@@H]2CCCC[C@@H]12 ZINC001140461733 804441829 /nfs/dbraw/zinc/44/18/29/804441829.db2.gz SERJRGZQEFSLDT-ZIAGYGMSSA-N -1 3 293.794 3.379 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CC(Oc2ccccc2)C1 ZINC001140466654 804442953 /nfs/dbraw/zinc/44/29/53/804442953.db2.gz JSPHWDDWTXCTGC-UHFFFAOYSA-N -1 3 289.762 3.309 20 10 CGCDHM Cc1nc2c(s1)CN(Cc1ccc(Cl)cc1[O-])CC2 ZINC001140466430 804444292 /nfs/dbraw/zinc/44/42/92/804444292.db2.gz FMPDGUWVZAZMBI-UHFFFAOYSA-N -1 3 294.807 3.369 20 10 CGCDHM Cc1ccccc1Cc1nnc(-c2cccc(O)c2[O-])o1 ZINC001258375811 807431739 /nfs/dbraw/zinc/43/17/39/807431739.db2.gz KJWXGRGOPYDOTQ-UHFFFAOYSA-N -1 3 282.299 3.047 20 10 CGCDHM Cc1cccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1C ZINC001215325100 815506891 /nfs/dbraw/zinc/50/68/91/815506891.db2.gz AKCMZCQHMPSYSH-UHFFFAOYSA-N -1 3 298.298 3.137 20 10 CGCDHM CCc1cccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1 ZINC001215325154 815507359 /nfs/dbraw/zinc/50/73/59/815507359.db2.gz DQCSXCMJZGGGJI-UHFFFAOYSA-N -1 3 298.298 3.083 20 10 CGCDHM CC[C@@H]1CCCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC001222526976 816461887 /nfs/dbraw/zinc/46/18/87/816461887.db2.gz IJNSOYBUBDXKJC-BXUZGUMPSA-N -1 3 294.370 3.299 20 10 CGCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC1CCC1 ZINC001227937555 817759139 /nfs/dbraw/zinc/75/91/39/817759139.db2.gz MHIKVLZHCCSSGP-UHFFFAOYSA-N -1 3 284.311 3.260 20 10 CGCDHM C[C@@H]1CCCN1Cc1c([O-])cc(Br)cc1F ZINC001233026646 818503033 /nfs/dbraw/zinc/50/30/33/818503033.db2.gz BCJLSALBQLTLNM-MRVPVSSYSA-N -1 3 288.160 3.278 20 10 CGCDHM [O-]c1cccc2c1C[N@H+](Cc1ccc([S-])cc1)CC2 ZINC001233262269 818559637 /nfs/dbraw/zinc/55/96/37/818559637.db2.gz YPFZBZUVJDXSDI-UHFFFAOYSA-N -1 3 271.385 3.239 20 10 CGCDHM [O-]c1cccc2c1C[N@@H+](Cc1ccc([S-])cc1)CC2 ZINC001233262269 818559642 /nfs/dbraw/zinc/55/96/42/818559642.db2.gz YPFZBZUVJDXSDI-UHFFFAOYSA-N -1 3 271.385 3.239 20 10 CGCDHM [O-]c1c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cccc1C(F)(F)F ZINC001233416449 818615127 /nfs/dbraw/zinc/61/51/27/818615127.db2.gz IKAWALSICTUHCO-JBLDHEPKSA-N -1 3 289.272 3.201 20 10 CGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC[C@H](O)CC1 ZINC001236793115 819598300 /nfs/dbraw/zinc/59/83/00/819598300.db2.gz HVSTZOAVJUNWRQ-JTQLQIEISA-N -1 3 290.190 3.046 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC(CF)CC1 ZINC001237799804 819846409 /nfs/dbraw/zinc/84/64/09/819846409.db2.gz USGXVXNSUDHXGS-UHFFFAOYSA-N -1 3 275.726 3.366 20 10 CGCDHM [O-]c1cccc(F)c1CNCc1ccc(C(F)F)nc1 ZINC001462595961 937652313 /nfs/dbraw/zinc/65/23/13/937652313.db2.gz WXBXXLPDNOLNAE-UHFFFAOYSA-N -1 3 282.265 3.154 20 10 CGCDHM Cc1nnc([C@@H](C)NCc2ccc(Cl)cc2[O-])s1 ZINC001308672697 933154671 /nfs/dbraw/zinc/15/46/71/933154671.db2.gz NMKXYQQUCDDQPC-SSDOTTSWSA-N -1 3 283.784 3.056 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CNc1cnn(C2CCC2)c1 ZINC001474725151 933759747 /nfs/dbraw/zinc/75/97/47/933759747.db2.gz DNNPKHMZQIVKJV-UHFFFAOYSA-N -1 3 279.290 3.204 20 10 CGCDHM CC1(C)CCC(C)(NC(=O)c2cccc(O)c2[O-])CC1 ZINC001587349042 963186827 /nfs/dbraw/zinc/18/68/27/963186827.db2.gz CFWBAIKJVUMBFH-UHFFFAOYSA-N -1 3 277.364 3.187 20 10 CGCDHM C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593222105 994331260 /nfs/dbraw/zinc/33/12/60/994331260.db2.gz HDPSMYRPPIONOL-GXSJLCMTSA-N -1 3 299.317 3.319 20 10 CGCDHM CCc1ncc(CN(C)Cc2ccccc2[O-])s1 ZINC000091956477 345826553 /nfs/dbraw/zinc/82/65/53/345826553.db2.gz AMHMWFBSXFIVGB-UHFFFAOYSA-N -1 3 262.378 3.043 20 10 CGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@H](O)CC1 ZINC000293984197 346432044 /nfs/dbraw/zinc/43/20/44/346432044.db2.gz LFEJEGANRWRECA-LLVKDONJSA-N -1 3 290.190 3.046 20 10 CGCDHM CCCN(Cc1nccs1)Cc1ccccc1[O-] ZINC000135111052 371391377 /nfs/dbraw/zinc/39/13/77/371391377.db2.gz UNZCQBOKWNWAQN-UHFFFAOYSA-N -1 3 262.378 3.261 20 10 CGCDHM C[C@@H](N[C@H](C)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000287363273 371645025 /nfs/dbraw/zinc/64/50/25/371645025.db2.gz OGACGYSUWBUWPO-RNFRBKRXSA-N -1 3 251.223 3.133 20 10 CGCDHM CC[C@@H](NCc1cnccc1OC)c1ccc(F)cc1[O-] ZINC000294515223 372658058 /nfs/dbraw/zinc/65/80/58/372658058.db2.gz YYKIRMZWNSDASC-CQSZACIVSA-N -1 3 290.338 3.176 20 10 CGCDHM [O-]c1cc(OCc2ccccc2)ccc1CNCC(F)F ZINC000298156875 373291749 /nfs/dbraw/zinc/29/17/49/373291749.db2.gz SAWSZMIMCPXLMP-UHFFFAOYSA-N -1 3 293.313 3.326 20 10 CGCDHM COC[C@H](N[C@H](C)c1ccccc1[O-])c1ccc(C)o1 ZINC000183541214 374426333 /nfs/dbraw/zinc/42/63/33/374426333.db2.gz GHVWDBGPPDMZDM-OCCSQVGLSA-N -1 3 275.348 3.332 20 10 CGCDHM C[C@@H](c1cccc(O)c1)N(C)Cc1cccc(F)c1[O-] ZINC000272240536 378592659 /nfs/dbraw/zinc/59/26/59/378592659.db2.gz GMRXMTNWFZFHDS-NSHDSACASA-N -1 3 275.323 3.430 20 10 CGCDHM CC(C)c1noc(NCc2c([O-])cccc2Cl)n1 ZINC000272245581 378594627 /nfs/dbraw/zinc/59/46/27/378594627.db2.gz OEWQBHPUJUDJQM-UHFFFAOYSA-N -1 3 267.716 3.164 20 10 CGCDHM COc1cccc(CN(C)Cc2cccc(F)c2[O-])c1 ZINC000272254984 378597702 /nfs/dbraw/zinc/59/77/02/378597702.db2.gz IYCIRVQTRAQYGO-UHFFFAOYSA-N -1 3 275.323 3.172 20 10 CGCDHM Cc1ccc(C(=O)N2CC=C(C(C)(C)C)CC2)c([O-])c1O ZINC000273031154 378735724 /nfs/dbraw/zinc/73/57/24/378735724.db2.gz SXDQXJQXXWZJRZ-UHFFFAOYSA-N -1 3 289.375 3.225 20 10 CGCDHM CCn1cnnc1CN[C@@H](C)c1ccc2ccccc2c1[O-] ZINC000273299244 378740507 /nfs/dbraw/zinc/74/05/07/378740507.db2.gz AWRRSRIZTTVQHK-LBPRGKRZSA-N -1 3 296.374 3.008 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000375321327 379490740 /nfs/dbraw/zinc/49/07/40/379490740.db2.gz PRHHDXQJFMLFSD-JSGCOSHPSA-N -1 3 299.773 3.328 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000375321324 379491751 /nfs/dbraw/zinc/49/17/51/379491751.db2.gz PRHHDXQJFMLFSD-GXTWGEPZSA-N -1 3 299.773 3.328 20 10 CGCDHM CC1=C(Br)CN(Cc2ccccc2[O-])CC1 ZINC000281249130 379826031 /nfs/dbraw/zinc/82/60/31/379826031.db2.gz XANPUPPCSXLQPY-UHFFFAOYSA-N -1 3 282.181 3.267 20 10 CGCDHM Cc1ccc([C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000365927015 382300059 /nfs/dbraw/zinc/30/00/59/382300059.db2.gz HMMCNLNGQJLNSY-CQSZACIVSA-N -1 3 297.354 3.036 20 10 CGCDHM Cc1nn(C)c(C)c1CN[C@H](C)c1cc(Cl)ccc1[O-] ZINC000185276795 262048516 /nfs/dbraw/zinc/04/85/16/262048516.db2.gz NIXQVLUYQVOSBY-SECBINFHSA-N -1 3 293.798 3.247 20 10 CGCDHM Cc1ccncc1/C=C\C(=O)N1CCCc2cccc([O-])c21 ZINC000492424903 332396908 /nfs/dbraw/zinc/39/69/08/332396908.db2.gz KTBNPAPBMHGNDM-FPLPWBNLSA-N -1 3 294.354 3.088 20 10 CGCDHM CC(C)c1nn(C)cc1NCc1cccc(F)c1[O-] ZINC000280932500 519883443 /nfs/dbraw/zinc/88/34/43/519883443.db2.gz RVVBACWJPXCJLB-UHFFFAOYSA-N -1 3 263.316 3.000 20 10 CGCDHM CCCN(Cc1nc(C)c(C)o1)Cc1ccccc1[O-] ZINC000068973520 521692856 /nfs/dbraw/zinc/69/28/56/521692856.db2.gz GHBVTUPULKIPQV-UHFFFAOYSA-N -1 3 274.364 3.409 20 10 CGCDHM CCOc1ccc(NC(=O)c2cc([O-])cs2)cc1OC ZINC000732263878 572455041 /nfs/dbraw/zinc/45/50/41/572455041.db2.gz XCTOOILJAIJZPE-UHFFFAOYSA-N -1 3 293.344 3.113 20 10 CGCDHM CC[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000732269916 572455944 /nfs/dbraw/zinc/45/59/44/572455944.db2.gz MDPOGCJXTABTMG-MWLCHTKSSA-N -1 3 253.367 3.152 20 10 CGCDHM COc1c(C)ccc(NC(=O)c2cc([O-])cs2)c1C ZINC000732268982 572456141 /nfs/dbraw/zinc/45/61/41/572456141.db2.gz MWQWHCAOKZENPN-UHFFFAOYSA-N -1 3 277.345 3.331 20 10 CGCDHM CC(C)Oc1cccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000732273354 572456853 /nfs/dbraw/zinc/45/68/53/572456853.db2.gz RNMZQULABDXFCV-UHFFFAOYSA-N -1 3 291.372 3.171 20 10 CGCDHM [O-]c1cccc(Cl)c1CNCc1ccc2c(c1)CCO2 ZINC000733326988 572556580 /nfs/dbraw/zinc/55/65/80/572556580.db2.gz HRYFURNWILGVIA-UHFFFAOYSA-N -1 3 289.762 3.270 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC(C2CCCC2)CC1 ZINC000743736518 572681031 /nfs/dbraw/zinc/68/10/31/572681031.db2.gz OEWOTHJOTBRJEH-UHFFFAOYSA-N -1 3 279.405 3.496 20 10 CGCDHM CCCCCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000735492552 572726044 /nfs/dbraw/zinc/72/60/44/572726044.db2.gz JCAANHBAQJOYSQ-UHFFFAOYSA-N -1 3 299.798 3.211 20 10 CGCDHM O=C(N[C@H]1CSc2ccccc21)c1cc([O-])cs1 ZINC000735522052 572729607 /nfs/dbraw/zinc/72/96/07/572729607.db2.gz RWTNMHISXHVKBE-JTQLQIEISA-N -1 3 277.370 3.031 20 10 CGCDHM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cc([O-])cs1 ZINC000750251717 573104858 /nfs/dbraw/zinc/10/48/58/573104858.db2.gz UFWDBDAQAVDZHV-UHFFFAOYSA-N -1 3 287.340 3.225 20 10 CGCDHM C[C@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000818071709 601761782 /nfs/dbraw/zinc/76/17/82/601761782.db2.gz VTRVYMKDYXCTCL-CYBMUJFWSA-N -1 3 285.343 3.040 20 10 CGCDHM C[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000818071709 601761783 /nfs/dbraw/zinc/76/17/83/601761783.db2.gz VTRVYMKDYXCTCL-CYBMUJFWSA-N -1 3 285.343 3.040 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000893867028 619324442 /nfs/dbraw/zinc/32/44/42/619324442.db2.gz SOGNZPOHFQEUGP-CQSZACIVSA-N -1 3 278.302 3.336 20 10 CGCDHM CO[C@]1(C)CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000793217685 619705893 /nfs/dbraw/zinc/70/58/93/619705893.db2.gz MZWKJFNEECAOEG-CQSZACIVSA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1ccc(F)cc1CN[C@@H]1c2ccccc2OC[C@H]1F ZINC000896423490 620007190 /nfs/dbraw/zinc/00/71/90/620007190.db2.gz SHLYDGFZJLCDHQ-CZUORRHYSA-N -1 3 291.297 3.093 20 10 CGCDHM CC(C)(CC(=O)NCc1c([O-])cccc1F)CC(F)F ZINC000928711626 620208651 /nfs/dbraw/zinc/20/86/51/620208651.db2.gz UJVHLDPAOHDTHL-UHFFFAOYSA-N -1 3 289.297 3.219 20 10 CGCDHM [O-]c1c(F)cccc1CNc1cccc(-n2cccn2)c1 ZINC000165005890 622853613 /nfs/dbraw/zinc/85/36/13/622853613.db2.gz BZGFKBBWITUGRB-UHFFFAOYSA-N -1 3 283.306 3.329 20 10 CGCDHM Cc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)c([O-])c1O ZINC000182494694 625005488 /nfs/dbraw/zinc/00/54/88/625005488.db2.gz SROQZBSZTCUTEW-UHFFFAOYSA-N -1 3 297.232 3.076 20 10 CGCDHM Cc1cc2cc(NC(=O)c3cccc(O)c3[O-])ccc2[nH]1 ZINC000186902890 626079624 /nfs/dbraw/zinc/07/96/24/626079624.db2.gz PSQNTOYUKKFOJF-UHFFFAOYSA-N -1 3 282.299 3.140 20 10 CGCDHM CC(C)c1nnc(CNCc2cc(Cl)ccc2[O-])s1 ZINC000756130408 626679209 /nfs/dbraw/zinc/67/92/09/626679209.db2.gz BTCQFLZFDCKSLR-UHFFFAOYSA-N -1 3 297.811 3.310 20 10 CGCDHM C[C@H](NCc1ncccc1F)c1cc(F)cc(F)c1[O-] ZINC000756768063 626729948 /nfs/dbraw/zinc/72/99/48/626729948.db2.gz IWSCSPUSBFJNMQ-QMMMGPOBSA-N -1 3 282.265 3.055 20 10 CGCDHM CN(Cc1ccoc1)Cc1c([O-])cccc1Cl ZINC000769007298 627515889 /nfs/dbraw/zinc/51/58/89/627515889.db2.gz YPPDOTDENSMTRD-UHFFFAOYSA-N -1 3 251.713 3.271 20 10 CGCDHM CC[C@@H](NCc1ccon1)c1cc(Cl)ccc1[O-] ZINC000775512167 628102928 /nfs/dbraw/zinc/10/29/28/628102928.db2.gz NCCKBOVSJGROBU-GFCCVEGCSA-N -1 3 266.728 3.275 20 10 CGCDHM Cc1ccccc1C(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000776344699 628196062 /nfs/dbraw/zinc/19/60/62/628196062.db2.gz XHRNNIPIVBWRLO-UHFFFAOYSA-N -1 3 299.370 3.114 20 10 CGCDHM C[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])C[C@@H]1F ZINC000779151496 628391130 /nfs/dbraw/zinc/39/11/30/628391130.db2.gz YVBSLWLOWFANCJ-SKDRFNHKSA-N -1 3 257.736 3.226 20 10 CGCDHM CO[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[C@H]1C ZINC000792180385 629345512 /nfs/dbraw/zinc/34/55/12/629345512.db2.gz QZTPCWAXEPSXOM-RNCFNFMXSA-N -1 3 287.762 3.042 20 10 CGCDHM COc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])c([O-])c1 ZINC000793389579 629453858 /nfs/dbraw/zinc/45/38/58/629453858.db2.gz JXIIVYXZKPPGSJ-UHFFFAOYSA-N -1 3 293.750 3.050 20 10 CGCDHM [O-]c1cc2c(cc1CN1CCO[C@@H]3C[C@@H]31)oc1ccccc12 ZINC000793611263 629490339 /nfs/dbraw/zinc/49/03/39/629490339.db2.gz DNXWCZXBEJCVID-KBXCAEBGSA-N -1 3 295.338 3.265 20 10 CGCDHM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000807886461 630604540 /nfs/dbraw/zinc/60/45/40/630604540.db2.gz RRIZWVLGZLTNAT-NWDGAFQWSA-N -1 3 291.391 3.385 20 10 CGCDHM CO[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[C@H]1C ZINC000816586392 632017577 /nfs/dbraw/zinc/01/75/77/632017577.db2.gz GSKJYKONPLQZGD-OTYXRUKQSA-N -1 3 287.762 3.042 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2ccccc2)C1 ZINC000817106886 632082469 /nfs/dbraw/zinc/08/24/69/632082469.db2.gz NTDOLQLYQJPLCE-CQSZACIVSA-N -1 3 297.354 3.118 20 10 CGCDHM Cc1ccc(C(=O)Nc2ccc(C3CCC3)cn2)c([O-])c1O ZINC000819036246 632369345 /nfs/dbraw/zinc/36/93/45/632369345.db2.gz BOCUEQXFALHQKN-UHFFFAOYSA-N -1 3 298.342 3.321 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]1C1CC1 ZINC000824650094 633267457 /nfs/dbraw/zinc/26/74/57/633267457.db2.gz IAZJKBVCPSHZPW-LBPRGKRZSA-N -1 3 255.720 3.169 20 10 CGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000826539448 633412819 /nfs/dbraw/zinc/41/28/19/633412819.db2.gz UAHVDIWXKKEYHA-CABZTGNLSA-N -1 3 296.754 3.328 20 10 CGCDHM C[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C[C@H](C)O1 ZINC000827371152 633485992 /nfs/dbraw/zinc/48/59/92/633485992.db2.gz PWQIOKMJJOKZCO-ZJUUUORDSA-N -1 3 287.762 3.184 20 10 CGCDHM C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1cc(F)cc(F)c1[O-] ZINC000834892105 634269896 /nfs/dbraw/zinc/26/98/96/634269896.db2.gz AYOQTJYEMSCMKA-ZDMBXUJBSA-N -1 3 293.317 3.224 20 10 CGCDHM Cc1nccnc1[C@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000873186770 634274444 /nfs/dbraw/zinc/27/44/44/634274444.db2.gz FGWIBBKSPNURLB-VIFPVBQESA-N -1 3 295.745 3.134 20 10 CGCDHM CCN(Cc1ccoc1)Cc1ccc(F)c(F)c1[O-] ZINC000876677589 634879604 /nfs/dbraw/zinc/87/96/04/634879604.db2.gz RXDWKENHQRQHQA-UHFFFAOYSA-N -1 3 267.275 3.286 20 10 CGCDHM CN(C(=O)c1cccc(O)c1[O-])C1CCC(C)(C)CC1 ZINC000126483616 635031828 /nfs/dbraw/zinc/03/18/28/635031828.db2.gz STMBKCUMAJDOBA-UHFFFAOYSA-N -1 3 277.364 3.139 20 10 CGCDHM Cc1csc(CNCc2c([O-])cc(C)cc2Cl)n1 ZINC000840875619 635071099 /nfs/dbraw/zinc/07/10/99/635071099.db2.gz PMJLHUGFUUXNGP-UHFFFAOYSA-N -1 3 282.796 3.409 20 10 CGCDHM Cc1cc([O-])c(CNCc2nccs2)c(Cl)c1 ZINC000840879276 635072210 /nfs/dbraw/zinc/07/22/10/635072210.db2.gz DGZLDSHGRSUICE-UHFFFAOYSA-N -1 3 268.769 3.100 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCOC2(CCCC2)C1 ZINC000129712117 636347562 /nfs/dbraw/zinc/34/75/62/636347562.db2.gz LTVBJECESCSAEP-UHFFFAOYSA-N -1 3 281.783 3.191 20 10 CGCDHM Cc1ccc(C(=O)Nc2ncsc2C(C)C)c([O-])c1O ZINC000848094608 636528330 /nfs/dbraw/zinc/52/83/30/636528330.db2.gz GFRJPCGLNZYNKO-UHFFFAOYSA-N -1 3 292.360 3.238 20 10 CGCDHM COCC[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccco1 ZINC000883085578 636535845 /nfs/dbraw/zinc/53/58/45/636535845.db2.gz VIGKAWAIKYKENA-CYBMUJFWSA-N -1 3 297.301 3.131 20 10 CGCDHM O=C(CCCc1ccsc1)NCc1c([O-])cccc1F ZINC000928707578 638889312 /nfs/dbraw/zinc/88/93/12/638889312.db2.gz FSSHMRWQMCLZCX-UHFFFAOYSA-N -1 3 293.363 3.232 20 10 CGCDHM C[C@@H]1CCCC[C@H]1CC(=O)NCc1c([O-])cccc1F ZINC001156170126 805661543 /nfs/dbraw/zinc/66/15/43/805661543.db2.gz HMCNTCPITQGDES-NEPJUHHUSA-N -1 3 279.355 3.364 20 10 CGCDHM CCc1ccc(-c2nnc(-c3cc(O)c([O-])c(O)c3)o2)cc1 ZINC001252953049 806140039 /nfs/dbraw/zinc/14/00/39/806140039.db2.gz DEGYJOOWEUQYKK-UHFFFAOYSA-N -1 3 298.298 3.083 20 10 CGCDHM COC[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000091862312 798954817 /nfs/dbraw/zinc/95/48/17/798954817.db2.gz OFASSZNOXWRUIA-LLVKDONJSA-N -1 3 290.190 3.310 20 10 CGCDHM CC[C@@H]1CN(Cc2cccc(Cl)c2[O-])[C@H](CC)CO1 ZINC000403891380 799571911 /nfs/dbraw/zinc/57/19/11/799571911.db2.gz WZFOLKDVBCXFAO-CHWSQXEVSA-N -1 3 283.799 3.435 20 10 CGCDHM CCO[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000701660294 799890606 /nfs/dbraw/zinc/89/06/06/799890606.db2.gz BSBHUNLGPAEXPO-LLVKDONJSA-N -1 3 290.190 3.310 20 10 CGCDHM Cc1ccn2cc(CN(C)Cc3cccc(F)c3[O-])nc2c1 ZINC001138131111 803865056 /nfs/dbraw/zinc/86/50/56/803865056.db2.gz QOIWXQSZIKQBLO-UHFFFAOYSA-N -1 3 299.349 3.119 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCC[C@@H]1c1ncccn1 ZINC001140342358 804420305 /nfs/dbraw/zinc/42/03/05/804420305.db2.gz GCWRGWRKWSXJES-CYBMUJFWSA-N -1 3 289.766 3.173 20 10 CGCDHM O=C1CCN(Cc2ccc(Cl)cc2[O-])[C@H]2CCCC[C@H]12 ZINC001140461730 804441033 /nfs/dbraw/zinc/44/10/33/804441033.db2.gz SERJRGZQEFSLDT-KBPBESRZSA-N -1 3 293.794 3.379 20 10 CGCDHM Cc1cccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)c1 ZINC001256945752 807014291 /nfs/dbraw/zinc/01/42/91/807014291.db2.gz DTAVZAVLLHNQLJ-UHFFFAOYSA-N -1 3 291.372 3.118 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCCC(F)(F)CC1 ZINC001142509167 804729279 /nfs/dbraw/zinc/72/92/79/804729279.db2.gz ZHMWGZNQLQVOMA-UHFFFAOYSA-N -1 3 277.261 3.292 20 10 CGCDHM CC(C)CC1(C(=O)NCc2c([O-])cccc2F)CCC1 ZINC001178413156 809864913 /nfs/dbraw/zinc/86/49/13/809864913.db2.gz NUDYLUDUOFRASR-UHFFFAOYSA-N -1 3 279.355 3.364 20 10 CGCDHM C[C@@H]1C[C@H](F)CN1Cc1cc(Br)ccc1[O-] ZINC001203635645 812412857 /nfs/dbraw/zinc/41/28/57/812412857.db2.gz BZODYUCOLDSMFV-KCJUWKMLSA-N -1 3 288.160 3.087 20 10 CGCDHM C[C@@]1(F)CCN(Cc2cc(Cl)ccc2[O-])C[C@@H]1F ZINC001203650845 812415526 /nfs/dbraw/zinc/41/55/26/812415526.db2.gz FIQDQXRHQAQHRF-QWHCGFSZSA-N -1 3 275.726 3.318 20 10 CGCDHM C[C@]1(F)CCN(Cc2cc(Cl)ccc2[O-])C[C@@H]1F ZINC001203650871 812416342 /nfs/dbraw/zinc/41/63/42/812416342.db2.gz FIQDQXRHQAQHRF-STQMWFEESA-N -1 3 275.726 3.318 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CC2(C1)C[C@@H](F)CS2 ZINC001203664180 812421996 /nfs/dbraw/zinc/42/19/96/812421996.db2.gz PXYNIRVZHYDCMN-LLVKDONJSA-N -1 3 287.787 3.075 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H]1c1ncccn1 ZINC001203665653 812422561 /nfs/dbraw/zinc/42/25/61/812422561.db2.gz RQXHAURDEVBASI-CYBMUJFWSA-N -1 3 289.766 3.173 20 10 CGCDHM [O-]c1c(F)cccc1CN[C@@H]1COc2cc(F)cc(F)c21 ZINC001205394564 812977793 /nfs/dbraw/zinc/97/77/93/812977793.db2.gz SOCUYUIKCQCQHF-GFCCVEGCSA-N -1 3 295.260 3.033 20 10 CGCDHM CC(=O)c1cc(Nc2cccc(C(F)(F)F)c2[O-])ccn1 ZINC001210594967 814547342 /nfs/dbraw/zinc/54/73/42/814547342.db2.gz MAKZCZWIUSMKRR-UHFFFAOYSA-N -1 3 296.248 3.174 20 10 CGCDHM Cc1cc([O-])c(CN2CCO[C@@H](C(C)C)C2)cc1Cl ZINC001231869944 818193881 /nfs/dbraw/zinc/19/38/81/818193881.db2.gz BHGAXQVRVPUVLH-OAHLLOKOSA-N -1 3 283.799 3.211 20 10 CGCDHM CCCOC1CN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233454141 818623841 /nfs/dbraw/zinc/62/38/41/818623841.db2.gz IGCILTWUVZJVFQ-UHFFFAOYSA-N -1 3 289.297 3.022 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H]2C[C@H]21 ZINC001237623387 819788938 /nfs/dbraw/zinc/78/89/38/819788938.db2.gz MKSRXKBCNNINGJ-QPUJVOFHSA-N -1 3 255.720 3.169 20 10 CGCDHM CSc1cc(NC(=O)c2cccc(O)c2[O-])ccc1C ZINC001452749552 937398426 /nfs/dbraw/zinc/39/84/26/937398426.db2.gz WKOFZBQPBGOHBP-UHFFFAOYSA-N -1 3 289.356 3.380 20 10 CGCDHM O=C1c2cccc(OC3CCC3)c2C(=O)c2cccc([O-])c21 ZINC001229186651 932112766 /nfs/dbraw/zinc/11/27/66/932112766.db2.gz NFDODNCCAFNGEV-UHFFFAOYSA-N -1 3 294.306 3.099 20 10 CGCDHM Cc1ccc(CN(C)Cc2cc(F)c(F)cc2[O-])nc1 ZINC001462182045 937623186 /nfs/dbraw/zinc/62/31/86/937623186.db2.gz SUGCUCHJYNRUGY-UHFFFAOYSA-N -1 3 278.302 3.006 20 10 CGCDHM Cc1cc(CNCc2c([O-])ccc(Cl)c2F)ccn1 ZINC001308411977 933107788 /nfs/dbraw/zinc/10/77/88/933107788.db2.gz KGQWWRJEHDNFSQ-UHFFFAOYSA-N -1 3 280.730 3.178 20 10 CGCDHM CC(=O)Nc1ccc(N[C@H](C)c2ccc(F)cc2[O-])nc1 ZINC001320260158 934021138 /nfs/dbraw/zinc/02/11/38/934021138.db2.gz UASAKKSHGOSEIT-SECBINFHSA-N -1 3 289.310 3.058 20 10 CGCDHM CCOc1ccc(NCc2cc(F)cc(F)c2[O-])nc1C ZINC001474218959 937844725 /nfs/dbraw/zinc/84/47/25/937844725.db2.gz MAPAPKLWSNDOFQ-UHFFFAOYSA-N -1 3 294.301 3.385 20 10 CGCDHM C[S@@](=O)c1cccc(NCc2ccc(Cl)cc2[O-])c1 ZINC001474537708 937865667 /nfs/dbraw/zinc/86/56/67/937865667.db2.gz NVKLAPGLLGASQE-LJQANCHMSA-N -1 3 295.791 3.395 20 10 CGCDHM CC(C)=CCC[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001478673881 937908790 /nfs/dbraw/zinc/90/87/90/937908790.db2.gz HDQFDLNOEYLZPA-LBPRGKRZSA-N -1 3 294.370 3.465 20 10 CGCDHM Cc1ccc(CCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001558454464 938215444 /nfs/dbraw/zinc/21/54/44/938215444.db2.gz HFTQLPQNKVZTBQ-UHFFFAOYSA-N -1 3 287.334 3.089 20 10 CGCDHM C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593222107 994331771 /nfs/dbraw/zinc/33/17/71/994331771.db2.gz HDPSMYRPPIONOL-MWLCHTKSSA-N -1 3 299.317 3.319 20 10 CGCDHM CC(C)C1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001593250104 994483311 /nfs/dbraw/zinc/48/33/11/994483311.db2.gz QOOFIQCYWZTDGX-NSHDSACASA-N -1 3 277.364 3.177 20 10 CGCDHM C[C@@H](NCc1ccccc1F)c1cc(C(=O)[O-])ccc1O ZINC001593304825 994755210 /nfs/dbraw/zinc/75/52/10/994755210.db2.gz RDDDAKIMILYHOJ-SNVBAGLBSA-N -1 3 289.306 3.080 20 10 CGCDHM Cc1ccoc1CN[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000293803284 372487227 /nfs/dbraw/zinc/48/72/27/372487227.db2.gz VDRAEBWPNQHIAY-SECBINFHSA-N -1 3 267.275 3.423 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000293842492 372499595 /nfs/dbraw/zinc/49/95/95/372499595.db2.gz BCUGFOAVVSTGFN-HZPDHXFCSA-N -1 3 293.794 3.189 20 10 CGCDHM CC(C)[C@H]1CN(Cc2cccc(Cl)c2[O-])CCCO1 ZINC000294142268 372592950 /nfs/dbraw/zinc/59/29/50/372592950.db2.gz UYHBHIYGKXQAMW-CQSZACIVSA-N -1 3 283.799 3.293 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCOC2(CCCCC2)C1 ZINC000272237537 378592970 /nfs/dbraw/zinc/59/29/70/378592970.db2.gz FTQCZMQBFYSFIZ-UHFFFAOYSA-N -1 3 279.355 3.066 20 10 CGCDHM C[C@@H](c1ccncc1)N(C)Cc1cccc(F)c1[O-] ZINC000273426471 378745645 /nfs/dbraw/zinc/74/56/45/378745645.db2.gz RZDUYXCMTKYWCR-NSHDSACASA-N -1 3 260.312 3.119 20 10 CGCDHM C[C@@H](N[C@@H](C)c1cc(Cl)ccc1[O-])c1cnn(C)c1 ZINC000273551313 378751907 /nfs/dbraw/zinc/75/19/07/378751907.db2.gz GBUKKXNNJRXSJO-ZJUUUORDSA-N -1 3 279.771 3.191 20 10 CGCDHM CC[C@@H]1CN(Cc2c([O-])cccc2Cl)CCCO1 ZINC000281111649 379817800 /nfs/dbraw/zinc/81/78/00/379817800.db2.gz BHTWSSDKEXZSRU-LLVKDONJSA-N -1 3 269.772 3.047 20 10 CGCDHM Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)c([O-])c1O ZINC000177668090 392665108 /nfs/dbraw/zinc/66/51/08/392665108.db2.gz RAOWZOIDRDBWCX-HNNXBMFYSA-N -1 3 297.354 3.166 20 10 CGCDHM COc1cc(CN[C@H](C)c2cc(Cl)ccc2[O-])ccn1 ZINC000184973909 262035945 /nfs/dbraw/zinc/03/59/45/262035945.db2.gz CTGLQJAOQOWHNI-SNVBAGLBSA-N -1 3 292.766 3.300 20 10 CGCDHM COc1cc(C)c(NCc2cc(F)ccc2[O-])cc1OC ZINC000226580358 333265328 /nfs/dbraw/zinc/26/53/28/333265328.db2.gz WODYDQHUQPVFNO-UHFFFAOYSA-N -1 3 291.322 3.469 20 10 CGCDHM CCc1nocc1CN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293520528 522931050 /nfs/dbraw/zinc/93/10/50/522931050.db2.gz AXYXOXLDXGVCMS-UHFFFAOYSA-N -1 3 298.745 3.367 20 10 CGCDHM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1ccccn1 ZINC000062745005 525660787 /nfs/dbraw/zinc/66/07/87/525660787.db2.gz NLMPAYNEDFIOKZ-GHMZBOCLSA-N -1 3 260.312 3.338 20 10 CGCDHM C[C@@H](Nc1ccc(CCO)cc1)c1cc(F)ccc1[O-] ZINC000094617826 525703639 /nfs/dbraw/zinc/70/36/39/525703639.db2.gz DUEWDWKCVVLGOC-LLVKDONJSA-N -1 3 275.323 3.239 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CC3CCC2CC3)c1[O-] ZINC000378383575 527208870 /nfs/dbraw/zinc/20/88/70/527208870.db2.gz KGZBYHJVTCCPSX-UHFFFAOYSA-N -1 3 277.339 3.108 20 10 CGCDHM Cc1ncc(CNCc2cc(Cl)c(F)cc2[O-])s1 ZINC000293542484 527272404 /nfs/dbraw/zinc/27/24/04/527272404.db2.gz GDVTUMARMHZQGD-UHFFFAOYSA-N -1 3 286.759 3.239 20 10 CGCDHM [O-]c1ccc2ccncc2c1CN(CC(F)F)C1CC1 ZINC000730257196 572333392 /nfs/dbraw/zinc/33/33/92/572333392.db2.gz HZHMASHMROFKFE-UHFFFAOYSA-N -1 3 278.302 3.170 20 10 CGCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)[C@H]1c1ccccc1 ZINC000743778882 572405190 /nfs/dbraw/zinc/40/51/90/572405190.db2.gz QFZQSLAWFPYCAO-IINYFYTJSA-N -1 3 273.357 3.287 20 10 CGCDHM O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1cc([O-])cs1 ZINC000731865655 572430514 /nfs/dbraw/zinc/43/05/14/572430514.db2.gz OBIQQMKGYQPSBU-UHFFFAOYSA-N -1 3 299.254 3.028 20 10 CGCDHM CC(C)CCC[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000731867839 572433504 /nfs/dbraw/zinc/43/35/04/572433504.db2.gz YAPZNZPSOVDMFG-SNVBAGLBSA-N -1 3 255.383 3.398 20 10 CGCDHM COc1ccc(NC(=O)c2cc([O-])cs2)c(C)c1 ZINC000732284140 572458463 /nfs/dbraw/zinc/45/84/63/572458463.db2.gz KSNLNGSZTHKGJH-UHFFFAOYSA-N -1 3 263.318 3.023 20 10 CGCDHM CC[C@H]1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000740932351 572469340 /nfs/dbraw/zinc/46/93/40/572469340.db2.gz HTZAGBAYBVXDAA-VHSXEESVSA-N -1 3 253.367 3.152 20 10 CGCDHM COc1ccc(CNCc2c([O-])cccc2Cl)cc1O ZINC000733327157 572556626 /nfs/dbraw/zinc/55/66/26/572556626.db2.gz MKTZHIVOKAFTRL-UHFFFAOYSA-N -1 3 293.750 3.050 20 10 CGCDHM CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000735704127 572738138 /nfs/dbraw/zinc/73/81/38/572738138.db2.gz QFLJNXVOYZHYRB-GWCFXTLKSA-N -1 3 297.420 3.025 20 10 CGCDHM CC(C)[C@@H]1CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775763435 628134423 /nfs/dbraw/zinc/13/44/23/628134423.db2.gz GJUMHEYBKPNPLF-LBPRGKRZSA-N -1 3 257.736 3.415 20 10 CGCDHM CC(C)[N@H+](CC(=O)[O-])Cc1cc(-c2ccccc2)ccc1[O-] ZINC000833497292 604557886 /nfs/dbraw/zinc/55/78/86/604557886.db2.gz BOEWXSSBJOKCIZ-UHFFFAOYSA-N -1 3 299.370 3.354 20 10 CGCDHM CC(C)[N@@H+](CC(=O)[O-])Cc1cc(-c2ccccc2)ccc1[O-] ZINC000833497292 604557888 /nfs/dbraw/zinc/55/78/88/604557888.db2.gz BOEWXSSBJOKCIZ-UHFFFAOYSA-N -1 3 299.370 3.354 20 10 CGCDHM C[S@](=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000121834752 618650924 /nfs/dbraw/zinc/65/09/24/618650924.db2.gz AMDFAHADXHGQKT-LJQANCHMSA-N -1 3 295.791 3.395 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1cncc(F)c1 ZINC000310258517 619676992 /nfs/dbraw/zinc/67/69/92/619676992.db2.gz BPLJLBKXEINPEC-UHFFFAOYSA-N -1 3 252.676 3.192 20 10 CGCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C2CC2)O1 ZINC000793220115 619706270 /nfs/dbraw/zinc/70/62/70/619706270.db2.gz RATWOMGDYVSWBN-BONVTDFDSA-N -1 3 281.783 3.045 20 10 CGCDHM CC(C)c1nccc(NCc2c([O-])cccc2F)n1 ZINC000895832840 619894505 /nfs/dbraw/zinc/89/45/05/619894505.db2.gz NWRJZFIVMMJRRO-UHFFFAOYSA-N -1 3 261.300 3.057 20 10 CGCDHM CCCN(Cc1ccccc1O)C(=O)c1ccccc1[O-] ZINC000156867352 622848840 /nfs/dbraw/zinc/84/88/40/622848840.db2.gz IVAAFRUBTUNMSV-UHFFFAOYSA-N -1 3 285.343 3.150 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)S[C@@H](C)C2)c1[O-] ZINC000070384276 625002391 /nfs/dbraw/zinc/00/23/91/625002391.db2.gz GTUWJBWVJLJQAT-UWVGGRQHSA-N -1 3 297.395 3.060 20 10 CGCDHM Cc1cnc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000756606879 626720649 /nfs/dbraw/zinc/72/06/49/626720649.db2.gz FGDOXZZYRYUKGV-QMMMGPOBSA-N -1 3 284.331 3.286 20 10 CGCDHM O=C(NCCC1=CCCCCC1)c1cccc(O)c1[O-] ZINC000790939537 629242223 /nfs/dbraw/zinc/24/22/23/629242223.db2.gz SAESLFUIERJUDP-UHFFFAOYSA-N -1 3 275.348 3.108 20 10 CGCDHM CCc1nc(C)c(CN[C@@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000813888034 631478040 /nfs/dbraw/zinc/47/80/40/631478040.db2.gz ZOTDHNKEXOHNHO-QMMMGPOBSA-N -1 3 296.317 3.380 20 10 CGCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](C)[C@@H]2C)c1 ZINC000816648981 632034958 /nfs/dbraw/zinc/03/49/58/632034958.db2.gz RNQMJYYPQGHZLE-UWVGGRQHSA-N -1 3 284.197 3.303 20 10 CGCDHM C[C@@H](NCc1nn(C)cc1C(F)F)c1ccc(F)cc1[O-] ZINC000866566056 633196489 /nfs/dbraw/zinc/19/64/89/633196489.db2.gz XEWAVJHSFLCOTE-MRVPVSSYSA-N -1 3 299.296 3.053 20 10 CGCDHM CC[C@H](NCc1cc(Cl)c(C)cc1[O-])C(F)F ZINC000826029269 633399098 /nfs/dbraw/zinc/39/90/98/633399098.db2.gz BUUPLJQBKDXYJQ-JTQLQIEISA-N -1 3 263.715 3.487 20 10 CGCDHM Cc1nccnc1[C@H](C)N[C@H](C)c1ccc(F)cc1[O-] ZINC000872133837 634056105 /nfs/dbraw/zinc/05/61/05/634056105.db2.gz PCKIEXIEYZHDHO-KOLCDFICSA-N -1 3 275.327 3.042 20 10 CGCDHM Cc1ccc(NCc2ccc(F)c(F)c2[O-])c(N(C)C)n1 ZINC000877123138 634990894 /nfs/dbraw/zinc/99/08/94/634990894.db2.gz OHSMCKZPCXEPRR-UHFFFAOYSA-N -1 3 293.317 3.052 20 10 CGCDHM Cc1cc([O-])c(CN2CCc3ncsc3C2)c(Cl)c1 ZINC000840939108 635087439 /nfs/dbraw/zinc/08/74/39/635087439.db2.gz KSWZTIGCCMHNNW-UHFFFAOYSA-N -1 3 294.807 3.369 20 10 CGCDHM [O-]c1ccc2ccncc2c1CN1CCCC(F)(F)C1 ZINC000844713516 635956744 /nfs/dbraw/zinc/95/67/44/635956744.db2.gz GFPHXMLRBJJUKC-UHFFFAOYSA-N -1 3 278.302 3.172 20 10 CGCDHM COC[C@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000882997058 636498548 /nfs/dbraw/zinc/49/85/48/636498548.db2.gz UQHIKEYWIXXRBT-HNNXBMFYSA-N -1 3 293.313 3.148 20 10 CGCDHM C[C@H](NCc1ncccn1)c1cccc(C(F)(F)F)c1[O-] ZINC000850551104 637117750 /nfs/dbraw/zinc/11/77/50/637117750.db2.gz DKYMWNBBESVQRL-VIFPVBQESA-N -1 3 297.280 3.052 20 10 CGCDHM C[C@H](N[C@@H](C)c1c([O-])cccc1F)c1cscn1 ZINC000886636906 637623071 /nfs/dbraw/zinc/62/30/71/637623071.db2.gz XQVZEOZARYXSGL-IUCAKERBSA-N -1 3 266.341 3.400 20 10 CGCDHM CCn1ncc(N[C@H](C)c2c([O-])cccc2F)c1C ZINC000886650499 637629419 /nfs/dbraw/zinc/62/94/19/637629419.db2.gz XYSVBOVZQLDAGC-SECBINFHSA-N -1 3 263.316 3.229 20 10 CGCDHM CC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000092487143 640737787 /nfs/dbraw/zinc/73/77/87/640737787.db2.gz UPPGBMOENXYHHQ-GXFFZTMASA-N -1 3 269.772 3.045 20 10 CGCDHM CN(Cc1ccccc1O)C(=O)c1cc([O-])ccc1Cl ZINC000383611926 799405954 /nfs/dbraw/zinc/40/59/54/799405954.db2.gz FQKCRVUUYMYJPF-UHFFFAOYSA-N -1 3 291.734 3.023 20 10 CGCDHM [O-]c1cccc(Cl)c1CN[C@@H]1CCCC1(F)F ZINC000398154651 799526547 /nfs/dbraw/zinc/52/65/47/799526547.db2.gz QGXJLBWDJRJJDI-LLVKDONJSA-N -1 3 261.699 3.323 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2C3CCC2CC3)c1[O-] ZINC000398871249 799533347 /nfs/dbraw/zinc/53/33/47/799533347.db2.gz CGPOYBIGMJATMK-UHFFFAOYSA-N -1 3 279.767 3.375 20 10 CGCDHM Cc1ccc([C@@H](C)NCc2ccc(F)c(F)c2[O-])o1 ZINC000703394636 799924505 /nfs/dbraw/zinc/92/45/05/799924505.db2.gz LELNCZLQNQHYIE-SECBINFHSA-N -1 3 267.275 3.423 20 10 CGCDHM C[C@@]1(C(F)(F)F)CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000708619990 799991995 /nfs/dbraw/zinc/99/19/95/799991995.db2.gz SJINOYXFQYXGBE-GFCCVEGCSA-N -1 3 295.251 3.445 20 10 CGCDHM CC(C)(C)[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000708999191 800000758 /nfs/dbraw/zinc/00/07/58/800000758.db2.gz GMMFCWIYCWGDJG-AWEZNQCLSA-N -1 3 283.799 3.293 20 10 CGCDHM CC(C)(C)[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000708999195 800001293 /nfs/dbraw/zinc/00/12/93/800001293.db2.gz GMMFCWIYCWGDJG-CQSZACIVSA-N -1 3 283.799 3.293 20 10 CGCDHM [O-]c1cc(F)c(Br)cc1CN1CCCCC1 ZINC001144299470 804971002 /nfs/dbraw/zinc/97/10/02/804971002.db2.gz XSWDNGXEBMWUDB-UHFFFAOYSA-N -1 3 288.160 3.280 20 10 CGCDHM Cn1ccccc1=NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168527803 807440446 /nfs/dbraw/zinc/44/04/46/807440446.db2.gz KXBCFJWIDRIWIF-UHFFFAOYSA-N -1 3 299.761 3.033 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H](CF)C1 ZINC001183519171 810151283 /nfs/dbraw/zinc/15/12/83/810151283.db2.gz BWSMSMVLWIKJER-VIFPVBQESA-N -1 3 275.726 3.366 20 10 CGCDHM CN(c1ccc(N)cc1)c1cc(F)c([O-])cc1F ZINC001215576319 815539432 /nfs/dbraw/zinc/53/94/32/815539432.db2.gz VGVGTYLLNIXFLL-UHFFFAOYSA-N -1 3 250.248 3.021 20 10 CGCDHM CN(Cc1ccc(Cl)cc1[O-])c1cccc(O)c1 ZINC001206664089 813393921 /nfs/dbraw/zinc/39/39/21/813393921.db2.gz NIHPOVYQZRMNAD-UHFFFAOYSA-N -1 3 263.724 3.388 20 10 CGCDHM Cc1cccnc1[C@H](C)NCc1ccc(F)c(F)c1[O-] ZINC001207783230 813649945 /nfs/dbraw/zinc/64/99/45/813649945.db2.gz DCZOPEOBJJGXCP-JTQLQIEISA-N -1 3 278.302 3.225 20 10 CGCDHM CCC[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231563736 818123705 /nfs/dbraw/zinc/12/37/05/818123705.db2.gz KVKNKEFDVRTMTJ-CQSZACIVSA-N -1 3 277.364 3.245 20 10 CGCDHM CCC[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231563736 818123707 /nfs/dbraw/zinc/12/37/07/818123707.db2.gz KVKNKEFDVRTMTJ-CQSZACIVSA-N -1 3 277.364 3.245 20 10 CGCDHM Cc1cc([O-])c(CN(C)CC(=O)OC(C)(C)C)cc1Cl ZINC001231867570 818192553 /nfs/dbraw/zinc/19/25/53/818192553.db2.gz MNGFZEGMTVBAMU-UHFFFAOYSA-N -1 3 299.798 3.128 20 10 CGCDHM Cc1cc([O-])c(CN2CCO[C@H](C(C)C)C2)cc1Cl ZINC001231869943 818193063 /nfs/dbraw/zinc/19/30/63/818193063.db2.gz BHGAXQVRVPUVLH-HNNXBMFYSA-N -1 3 283.799 3.211 20 10 CGCDHM C[C@]1(F)CCN(Cc2cc(Cl)c([O-])cc2O)C[C@H]1F ZINC001232258926 818295116 /nfs/dbraw/zinc/29/51/16/818295116.db2.gz DOQZNXUGUZKMJN-OLZOCXBDSA-N -1 3 291.725 3.023 20 10 CGCDHM COc1cc([O-])c(CN2CCc3occc3C2)cc1Cl ZINC001232267398 818297149 /nfs/dbraw/zinc/29/71/49/818297149.db2.gz BHALLJYTHROAGD-UHFFFAOYSA-N -1 3 293.750 3.206 20 10 CGCDHM [O-]c1c(CN2CCC[C@H](C(F)F)C2)ccc(F)c1F ZINC001233077349 818518633 /nfs/dbraw/zinc/51/86/33/818518633.db2.gz KLPNNJYJKBSWIC-VIFPVBQESA-N -1 3 277.261 3.148 20 10 CGCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CCn2cccc2C1 ZINC001233454389 818623496 /nfs/dbraw/zinc/62/34/96/818623496.db2.gz SUSWBCCQWSQSLA-UHFFFAOYSA-N -1 3 296.292 3.228 20 10 CGCDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H]2C)c1 ZINC001236662400 819566354 /nfs/dbraw/zinc/56/63/54/819566354.db2.gz DKKMIYLPARPRTC-VIFPVBQESA-N -1 3 270.170 3.057 20 10 CGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC[C@@H](O)CC1 ZINC001237077399 819660909 /nfs/dbraw/zinc/66/09/09/819660909.db2.gz HFJGTHDWGTZQJK-SECBINFHSA-N -1 3 290.190 3.046 20 10 CGCDHM CC[C@H]1CN(Cc2c([O-])cc(C)cc2Cl)C[C@H](C)O1 ZINC001474382460 937856005 /nfs/dbraw/zinc/85/60/05/937856005.db2.gz KFLHATMBQKDNJN-RYUDHWBXSA-N -1 3 283.799 3.353 20 10 CGCDHM CCC1(C)CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001474570095 937867763 /nfs/dbraw/zinc/86/77/63/937867763.db2.gz XILAAFCJMBTSKD-UHFFFAOYSA-N -1 3 257.736 3.417 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@@H](C)OCC23CCC3)cc1Cl ZINC001474612713 937870192 /nfs/dbraw/zinc/87/01/92/937870192.db2.gz PLFXYMIURONESX-GFCCVEGCSA-N -1 3 295.810 3.497 20 10 CGCDHM CCC[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])[C@@H](C)CC ZINC001595891615 982927697 /nfs/dbraw/zinc/92/76/97/982927697.db2.gz WJUQXVCCMIGEER-WFASDCNBSA-N -1 3 279.380 3.104 20 10 CGCDHM CCC[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])[C@@H](C)CC ZINC001595891615 982927700 /nfs/dbraw/zinc/92/77/00/982927700.db2.gz WJUQXVCCMIGEER-WFASDCNBSA-N -1 3 279.380 3.104 20 10 CGCDHM C[C@H](NCc1ccccc1F)c1cc(C(=O)[O-])ccc1O ZINC001593304824 994755385 /nfs/dbraw/zinc/75/53/85/994755385.db2.gz RDDDAKIMILYHOJ-JTQLQIEISA-N -1 3 289.306 3.080 20 10 CGCDHM C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594352551 999334784 /nfs/dbraw/zinc/33/47/84/999334784.db2.gz IQPXTYKNBSZHQM-NQBHXWOUSA-N -1 3 277.364 3.320 20 10 CGCDHM C[C@@H](NCCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000280913420 296124476 /nfs/dbraw/zinc/12/44/76/296124476.db2.gz DDRQAAJZLKHLOL-ZCFIWIBFSA-N -1 3 252.116 3.319 20 10 CGCDHM Cc1ccc(C(=O)N(C)CC2CCCCC2)c([O-])c1O ZINC000181849517 374181727 /nfs/dbraw/zinc/18/17/27/374181727.db2.gz UTIJFGIGQSOPCV-UHFFFAOYSA-N -1 3 277.364 3.059 20 10 CGCDHM COc1cc(CN[C@@H](C)c2cc(Cl)ccc2[O-])ccn1 ZINC000184973891 374573561 /nfs/dbraw/zinc/57/35/61/374573561.db2.gz CTGLQJAOQOWHNI-JTQLQIEISA-N -1 3 292.766 3.300 20 10 CGCDHM CN(Cc1ccn(C2CCCC2)n1)Cc1ccccc1[O-] ZINC000268695989 378090834 /nfs/dbraw/zinc/09/08/34/378090834.db2.gz SZXLMHQAPQELQS-UHFFFAOYSA-N -1 3 285.391 3.336 20 10 CGCDHM C[C@@H]1CCCC[C@@H]1OCCOC(=O)c1cc([O-])cs1 ZINC000732353991 572461295 /nfs/dbraw/zinc/46/12/95/572461295.db2.gz XTMFCYXEZYTFKI-PWSUYJOCSA-N -1 3 284.377 3.206 20 10 CGCDHM CCCCc1noc([C@@H](C)N(C)Cc2ccccc2[O-])n1 ZINC000109773271 392373220 /nfs/dbraw/zinc/37/32/20/392373220.db2.gz IEVKWSKLKWATGG-GFCCVEGCSA-N -1 3 289.379 3.311 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCC3(CCC3)C2)c1[O-] ZINC000123576198 392429705 /nfs/dbraw/zinc/42/97/05/392429705.db2.gz KSEUPZFOIDBSPG-UHFFFAOYSA-N -1 3 277.339 3.110 20 10 CGCDHM CN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H]1CCCO1 ZINC000132951556 392461289 /nfs/dbraw/zinc/46/12/89/392461289.db2.gz QNYMPHAQWHPVLG-NSHDSACASA-N -1 3 290.190 3.310 20 10 CGCDHM COC[C@H](C)N(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132672379 392461389 /nfs/dbraw/zinc/46/13/89/392461389.db2.gz NSKSHSJYMPYUKP-QMMMGPOBSA-N -1 3 278.179 3.166 20 10 CGCDHM Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185348274 262051812 /nfs/dbraw/zinc/05/18/12/262051812.db2.gz SQTPUBXSOCPOES-UWVGGRQHSA-N -1 3 293.798 3.499 20 10 CGCDHM CCCc1nc(C)c(CNCc2cc(F)ccc2[O-])o1 ZINC000292714017 263134181 /nfs/dbraw/zinc/13/41/81/263134181.db2.gz DOHOMTGSLGYEFH-UHFFFAOYSA-N -1 3 278.327 3.070 20 10 CGCDHM C[C@@H]1Oc2ccccc2[C@H]1NCc1cccc(F)c1[O-] ZINC000368141840 267148543 /nfs/dbraw/zinc/14/85/43/267148543.db2.gz HAOAXZBIOIWCFP-BONVTDFDSA-N -1 3 273.307 3.143 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CCC[C@H](OCC2CC2)C1 ZINC000368735261 267200729 /nfs/dbraw/zinc/20/07/29/267200729.db2.gz ZBUMBGQGDQKPFM-AWEZNQCLSA-N -1 3 295.810 3.437 20 10 CGCDHM Cc1c([C@H](C)N[C@@H](C)c2ccc(F)c(F)c2[O-])cnn1C ZINC000191201104 301003896 /nfs/dbraw/zinc/00/38/96/301003896.db2.gz HFDMQROSBACTPX-IUCAKERBSA-N -1 3 295.333 3.124 20 10 CGCDHM C[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(F)c(F)c1[O-] ZINC000276939661 328220528 /nfs/dbraw/zinc/22/05/28/328220528.db2.gz PITJATPSTCYGOB-UFBFGSQYSA-N -1 3 293.317 3.122 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ncccc1F)c1cc(F)ccc1[O-] ZINC000528036592 330302957 /nfs/dbraw/zinc/30/29/57/330302957.db2.gz UKCZUCYLVGZREQ-ZJUUUORDSA-N -1 3 278.302 3.477 20 10 CGCDHM CCc1nn(C)cc1N[C@@H](C)c1ccc(F)cc1[O-] ZINC000230671442 333320641 /nfs/dbraw/zinc/32/06/41/333320641.db2.gz SCLOPQXYVFLOKV-VIFPVBQESA-N -1 3 263.316 3.000 20 10 CGCDHM CCN(Cc1ccncc1)Cc1cccc(Cl)c1[O-] ZINC000289804440 521421887 /nfs/dbraw/zinc/42/18/87/521421887.db2.gz NAJGGXKTGGKRAW-UHFFFAOYSA-N -1 3 276.767 3.463 20 10 CGCDHM CCc1cnc(CN[C@H]2CCc3cccc([O-])c32)s1 ZINC000297562258 522041752 /nfs/dbraw/zinc/04/17/52/522041752.db2.gz GESQACJPAKVXGB-LBPRGKRZSA-N -1 3 274.389 3.188 20 10 CGCDHM C[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cs2)[C@@H]1C ZINC000732260466 572455107 /nfs/dbraw/zinc/45/51/07/572455107.db2.gz UJEJVHLTRRXYKY-KKZNHRDASA-N -1 3 253.367 3.008 20 10 CGCDHM CCN(Cc1ccccc1C)C(=O)c1cc([O-])cs1 ZINC000732268758 572455691 /nfs/dbraw/zinc/45/56/91/572455691.db2.gz NNORWCHUDDVYKR-UHFFFAOYSA-N -1 3 275.373 3.424 20 10 CGCDHM Cc1cc2cc(NC(=O)c3cc([O-])cs3)ccc2[nH]1 ZINC000732268393 572455951 /nfs/dbraw/zinc/45/59/51/572455951.db2.gz DZEOWNOKVBZPJX-UHFFFAOYSA-N -1 3 272.329 3.496 20 10 CGCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)c2ccccc21 ZINC000732272058 572456122 /nfs/dbraw/zinc/45/61/22/572456122.db2.gz FVYRLVWOKZZFBN-SECBINFHSA-N -1 3 259.330 3.218 20 10 CGCDHM C[C@@H]1CCCC[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000732278200 572457811 /nfs/dbraw/zinc/45/78/11/572457811.db2.gz WSJPNVWGBZDLLJ-ZJUUUORDSA-N -1 3 253.367 3.010 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCc2ccc(Cl)cc21 ZINC000732279482 572458096 /nfs/dbraw/zinc/45/80/96/572458096.db2.gz QDLHHGLKHGAUDG-UHFFFAOYSA-N -1 3 279.748 3.310 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000732287970 572459056 /nfs/dbraw/zinc/45/90/56/572459056.db2.gz KFJVTZOFJNJDQW-NSHDSACASA-N -1 3 291.347 3.223 20 10 CGCDHM O=C(Nc1ccc(OCC2CC2)cc1)c1cc([O-])cs1 ZINC000733363730 572559309 /nfs/dbraw/zinc/55/93/09/572559309.db2.gz FKEUFLSLGNKFGU-UHFFFAOYSA-N -1 3 289.356 3.495 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CC[C@H](Cc2ccccc2)C1 ZINC000743546530 572670833 /nfs/dbraw/zinc/67/08/33/572670833.db2.gz NRQSTIVJXISING-CYBMUJFWSA-N -1 3 287.384 3.159 20 10 CGCDHM Cc1cnc([C@H](NC(=O)c2cc([O-])cs2)C2CC2)s1 ZINC000743688495 572678666 /nfs/dbraw/zinc/67/86/66/572678666.db2.gz YNRFYZGJYHNWIT-LLVKDONJSA-N -1 3 294.401 3.100 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC2(C1)CCCCC2 ZINC000743703775 572680358 /nfs/dbraw/zinc/68/03/58/572680358.db2.gz XYEFNNAKPPCDPF-UHFFFAOYSA-N -1 3 265.378 3.250 20 10 CGCDHM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1[O-] ZINC000834263312 605602628 /nfs/dbraw/zinc/60/26/28/605602628.db2.gz SEXLIQSPRKJIIM-HNNXBMFYSA-N -1 3 298.342 3.259 20 10 CGCDHM C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000188097043 618720103 /nfs/dbraw/zinc/72/01/03/618720103.db2.gz ILOGQEGHUXAUDC-SNVBAGLBSA-N -1 3 289.306 3.070 20 10 CGCDHM CCc1nnc(CNCc2c([O-])cc(C)cc2Cl)s1 ZINC000840947105 619248613 /nfs/dbraw/zinc/24/86/13/619248613.db2.gz CSLZHTZGNQBHKM-UHFFFAOYSA-N -1 3 297.811 3.058 20 10 CGCDHM CC(C)COC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893969542 619342006 /nfs/dbraw/zinc/34/20/06/619342006.db2.gz VDMXPDWAEOXHRX-UHFFFAOYSA-N -1 3 299.361 3.307 20 10 CGCDHM Cc1cc([C@H]2CCCN2Cc2cc(F)cc(F)c2[O-])on1 ZINC000893994337 619345139 /nfs/dbraw/zinc/34/51/39/619345139.db2.gz DEGVGDHOWXFXLK-CYBMUJFWSA-N -1 3 294.301 3.304 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@@H](OCC2CC2)C1 ZINC000894493833 619555361 /nfs/dbraw/zinc/55/53/61/619555361.db2.gz DZVVYKHWWJQYQA-CQSZACIVSA-N -1 3 297.345 3.061 20 10 CGCDHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1cncs1 ZINC000897933545 620448404 /nfs/dbraw/zinc/44/84/04/620448404.db2.gz ZNHPMQQCNOSAHO-SSDOTTSWSA-N -1 3 286.759 3.492 20 10 CGCDHM C[C@H](NCc1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756355586 625899174 /nfs/dbraw/zinc/89/91/74/625899174.db2.gz SSYFHILCRJGSEF-JTQLQIEISA-N -1 3 290.294 3.290 20 10 CGCDHM CCCOc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000186855977 626077207 /nfs/dbraw/zinc/07/72/07/626077207.db2.gz HQTJJYDIHWLQBZ-UHFFFAOYSA-N -1 3 287.315 3.139 20 10 CGCDHM Cc1ccc(CNCc2cc(Cl)c(F)cc2[O-])nc1C ZINC000839166297 626324088 /nfs/dbraw/zinc/32/40/88/626324088.db2.gz YKGFBMMWBLDQOZ-UHFFFAOYSA-N -1 3 294.757 3.486 20 10 CGCDHM C[C@H](NCc1ccc(F)cn1)c1cc(F)cc(F)c1[O-] ZINC000756661144 626725560 /nfs/dbraw/zinc/72/55/60/626725560.db2.gz YIQVXVJSLJWXMN-QMMMGPOBSA-N -1 3 282.265 3.055 20 10 CGCDHM C[C@@H](NCc1ncccc1F)c1cc(F)cc(F)c1[O-] ZINC000756768061 626730163 /nfs/dbraw/zinc/73/01/63/626730163.db2.gz IWSCSPUSBFJNMQ-MRVPVSSYSA-N -1 3 282.265 3.055 20 10 CGCDHM Cc1nnc(CN[C@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000757638557 626796377 /nfs/dbraw/zinc/79/63/77/626796377.db2.gz LZZCVLYVTPHGOM-SSDOTTSWSA-N -1 3 283.784 3.056 20 10 CGCDHM CN(Cc1ccoc1)Cc1cccc(Br)c1[O-] ZINC000769006310 627516300 /nfs/dbraw/zinc/51/63/00/627516300.db2.gz RKNIGPIEIIQDEH-UHFFFAOYSA-N -1 3 296.164 3.380 20 10 CGCDHM CN(Cc1ccoc1)Cc1cccc(Cl)c1[O-] ZINC000775664090 628121996 /nfs/dbraw/zinc/12/19/96/628121996.db2.gz RLSLZZRAJDWKPE-UHFFFAOYSA-N -1 3 251.713 3.271 20 10 CGCDHM CN(Cc1ccc[nH]1)Cc1cccc(Cl)c1[O-] ZINC000775734414 628130406 /nfs/dbraw/zinc/13/04/06/628130406.db2.gz OTLOPRNDPZPBLJ-UHFFFAOYSA-N -1 3 250.729 3.006 20 10 CGCDHM CN(Cc1ccc[nH]1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775732823 628130486 /nfs/dbraw/zinc/13/04/86/628130486.db2.gz BEHAVODNQWTEOA-UHFFFAOYSA-N -1 3 268.719 3.145 20 10 CGCDHM CCc1nc(CN(C)Cc2cc(F)ccc2[O-])cs1 ZINC000779003167 628382786 /nfs/dbraw/zinc/38/27/86/628382786.db2.gz SFLVVMOSCLGBEF-UHFFFAOYSA-N -1 3 280.368 3.182 20 10 CGCDHM Cc1ccc(C(=O)Nc2cccc3ccncc32)c([O-])c1O ZINC000780971817 628527143 /nfs/dbraw/zinc/52/71/43/628527143.db2.gz XSWWDYCGRAVUJR-UHFFFAOYSA-N -1 3 294.310 3.207 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CCC[C@H](OC(F)F)C1 ZINC000781531478 628568852 /nfs/dbraw/zinc/56/88/52/628568852.db2.gz DNJQGZLWNKTGLT-JTQLQIEISA-N -1 3 291.725 3.249 20 10 CGCDHM Cc1cc(NCc2cc(C)cc(Br)c2[O-])no1 ZINC000781560210 628572221 /nfs/dbraw/zinc/57/22/21/628572221.db2.gz UGZVRBQWOMNKBJ-UHFFFAOYSA-N -1 3 297.152 3.372 20 10 CGCDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC000790903518 629240112 /nfs/dbraw/zinc/24/01/12/629240112.db2.gz IXDMRZJBZXSUKK-UHFFFAOYSA-N -1 3 277.364 3.044 20 10 CGCDHM Cc1cc(Br)c([O-])c(CN2[C@H](C)C[C@@H]2C)c1 ZINC000793227275 629431824 /nfs/dbraw/zinc/43/18/24/629431824.db2.gz AXVFAKPPAITRJT-AOOOYVTPSA-N -1 3 284.197 3.446 20 10 CGCDHM CO[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@H](C)C1 ZINC000799738425 630229189 /nfs/dbraw/zinc/22/91/89/630229189.db2.gz YRACCIYSSKEGKT-SKDRFNHKSA-N -1 3 287.762 3.184 20 10 CGCDHM Cc1noc([C@H]2CCCN2Cc2cc(Cl)ccc2[O-])n1 ZINC000809721300 630791747 /nfs/dbraw/zinc/79/17/47/630791747.db2.gz PGZQEDDXXNXTNQ-GFCCVEGCSA-N -1 3 293.754 3.074 20 10 CGCDHM CC(C)n1cc(NCc2c([O-])cccc2Cl)cn1 ZINC000127327179 635628281 /nfs/dbraw/zinc/62/82/81/635628281.db2.gz JAYUYSLVSKQJSL-UHFFFAOYSA-N -1 3 265.744 3.435 20 10 CGCDHM [O-]c1c(CN2CCC[C@H]2c2ncon2)ccc2ccccc21 ZINC000816499637 631993730 /nfs/dbraw/zinc/99/37/30/631993730.db2.gz VVSOJOKGXQDWNN-HNNXBMFYSA-N -1 3 295.342 3.266 20 10 CGCDHM CC(C)[C@H]1CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816528253 632003737 /nfs/dbraw/zinc/00/37/37/632003737.db2.gz SYXNRBZIWTVLJI-GFCCVEGCSA-N -1 3 257.736 3.415 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1ncccc1F ZINC000816558211 632012168 /nfs/dbraw/zinc/01/21/68/632012168.db2.gz QSIXBIKFJSMBGM-UHFFFAOYSA-N -1 3 284.693 3.009 20 10 CGCDHM C[C@H]1C[C@H](NCc2cc(Cl)c(F)cc2[O-])c2nccn21 ZINC000825017703 633318323 /nfs/dbraw/zinc/31/83/23/633318323.db2.gz XOQVEXOETHSHIR-UFBFGSQYSA-N -1 3 295.745 3.177 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCOCC12CCCCC2 ZINC000825098870 633328893 /nfs/dbraw/zinc/32/88/93/633328893.db2.gz PNIITNYIZSJEAV-UHFFFAOYSA-N -1 3 279.355 3.066 20 10 CGCDHM Cc1cc([O-])c(CN[C@@H](C)c2csnn2)cc1Cl ZINC000826123068 633407958 /nfs/dbraw/zinc/40/79/58/633407958.db2.gz FPSWQXJWUALCBR-QMMMGPOBSA-N -1 3 283.784 3.056 20 10 CGCDHM C[C@H](NCc1cc(Cl)c(F)cc1[O-])c1cscn1 ZINC000826972709 633446081 /nfs/dbraw/zinc/44/60/81/633446081.db2.gz LFTQIUJAZBACBO-ZETCQYMHSA-N -1 3 286.759 3.492 20 10 CGCDHM COCc1ccnc(N[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000846211483 636159615 /nfs/dbraw/zinc/15/96/15/636159615.db2.gz FXOXACRWEAGBHD-JTQLQIEISA-N -1 3 276.311 3.246 20 10 CGCDHM CSc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000126198486 634911200 /nfs/dbraw/zinc/91/12/00/634911200.db2.gz LQRGUCBDCHMOFL-UHFFFAOYSA-N -1 3 275.329 3.072 20 10 CGCDHM O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000126207236 634920240 /nfs/dbraw/zinc/92/02/40/634920240.db2.gz VCSRFAXGTMTPME-UHFFFAOYSA-N -1 3 297.232 3.369 20 10 CGCDHM CC[C@H]1CO[C@@H](C)CN1Cc1cc(Cl)ccc1[O-] ZINC000131482744 636666898 /nfs/dbraw/zinc/66/68/98/636666898.db2.gz MEBLWDZYHGNHGP-GWCFXTLKSA-N -1 3 269.772 3.045 20 10 CGCDHM Cc1cccc(CN[C@H](C)c2c([O-])cccc2F)n1 ZINC000886508988 637545173 /nfs/dbraw/zinc/54/51/73/637545173.db2.gz WDWMZPPTYDVRLO-LLVKDONJSA-N -1 3 260.312 3.086 20 10 CGCDHM C[C@H](Nc1cnn(C)c1C1CC1)c1c([O-])cccc1F ZINC000886592412 637596895 /nfs/dbraw/zinc/59/68/95/637596895.db2.gz SGXKACOTYBIOAL-VIFPVBQESA-N -1 3 275.327 3.315 20 10 CGCDHM C[C@H](N[C@H](CCO)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000886801714 637697800 /nfs/dbraw/zinc/69/78/00/637697800.db2.gz RGIPFOMBGDXVOE-WRWORJQWSA-N -1 3 297.704 3.010 20 10 CGCDHM CC[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000119962790 641044496 /nfs/dbraw/zinc/04/44/96/641044496.db2.gz BCRLDALSWDJFCI-QWRGUYRKSA-N -1 3 269.772 3.045 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[C@H]2C)c1[O-] ZINC000706808762 799967171 /nfs/dbraw/zinc/96/71/71/799967171.db2.gz VGSYVRAFYLFFLY-DTWKUNHWSA-N -1 3 267.756 3.088 20 10 CGCDHM O=C1OCc2ccc(NCc3c([O-])cccc3Cl)cc21 ZINC001117600312 802471489 /nfs/dbraw/zinc/47/14/89/802471489.db2.gz CVPNCLDNEDYOHV-UHFFFAOYSA-N -1 3 289.718 3.328 20 10 CGCDHM CN(CCC(=O)c1cccs1)Cc1c([O-])cccc1F ZINC001137839977 803781342 /nfs/dbraw/zinc/78/13/42/803781342.db2.gz OKICDGJVKJCVEU-UHFFFAOYSA-N -1 3 293.363 3.298 20 10 CGCDHM C[C@@H]1C(=O)CCN(Cc2cccc(F)c2[O-])C12CCCC2 ZINC001138130944 803865562 /nfs/dbraw/zinc/86/55/62/803865562.db2.gz LYZDUFXPTCLCGW-GFCCVEGCSA-N -1 3 291.366 3.255 20 10 CGCDHM [O-]c1cccc(Cl)c1CN(CCO)Cc1cccs1 ZINC001140344041 804419476 /nfs/dbraw/zinc/41/94/76/804419476.db2.gz FCEUXRQJOPCNGA-UHFFFAOYSA-N -1 3 297.807 3.102 20 10 CGCDHM CC[N@H+](Cc1ccccc1[O-])Cc1cc(F)c(F)cc1[O-] ZINC001142527053 804732868 /nfs/dbraw/zinc/73/28/68/804732868.db2.gz IOXGPNGFIMXYPO-UHFFFAOYSA-N -1 3 293.313 3.398 20 10 CGCDHM CC[N@@H+](Cc1ccccc1[O-])Cc1cc(F)c(F)cc1[O-] ZINC001142527053 804732871 /nfs/dbraw/zinc/73/28/71/804732871.db2.gz IOXGPNGFIMXYPO-UHFFFAOYSA-N -1 3 293.313 3.398 20 10 CGCDHM CN(Cc1ccc(Cl)nc1)Cc1cc(F)c(F)cc1[O-] ZINC001142527421 804734246 /nfs/dbraw/zinc/73/42/46/804734246.db2.gz UIRLWHOUFYCMBO-UHFFFAOYSA-N -1 3 298.720 3.351 20 10 CGCDHM CC(C)c1ccccc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581198 805197082 /nfs/dbraw/zinc/19/70/82/805197082.db2.gz OSZCXWZOJJHWCI-UHFFFAOYSA-N -1 3 287.315 3.179 20 10 CGCDHM Cc1nccc2c(NC(=O)c3cccc(O)c3[O-])cccc12 ZINC001177507514 809802865 /nfs/dbraw/zinc/80/28/65/809802865.db2.gz QAEANBKWIPNTLP-UHFFFAOYSA-N -1 3 294.310 3.207 20 10 CGCDHM Cc1cc([O-])c(CN2CCc3cnccc3C2)cc1Cl ZINC001231866363 818192514 /nfs/dbraw/zinc/19/25/14/818192514.db2.gz FENXPKREIGIRMX-UHFFFAOYSA-N -1 3 288.778 3.307 20 10 CGCDHM COc1cc([O-])c(CN2CCC[C@@](C)(F)C2)cc1Cl ZINC001232266924 818297396 /nfs/dbraw/zinc/29/73/96/818297396.db2.gz SRDAYAVPDACOKN-CQSZACIVSA-N -1 3 287.762 3.378 20 10 CGCDHM CN(Cc1cccc(O)c1)Cc1ccc(F)c(F)c1[O-] ZINC001233074801 818517401 /nfs/dbraw/zinc/51/74/01/818517401.db2.gz XHTXEMPAKDTHHC-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM C[C@@H]1CCCN1Cc1cc(F)cc(Br)c1[O-] ZINC001235293865 819063372 /nfs/dbraw/zinc/06/33/72/819063372.db2.gz CSVRYUUYBOQWKP-MRVPVSSYSA-N -1 3 288.160 3.278 20 10 CGCDHM CC1(C)C(CNC(=O)NCc2c([O-])cccc2F)C1(C)C ZINC001235391407 819083540 /nfs/dbraw/zinc/08/35/40/819083540.db2.gz CXLDEBYZNDLXAC-UHFFFAOYSA-N -1 3 294.370 3.013 20 10 CGCDHM CN(Cc1c([O-])ccc(Cl)c1Cl)[C@H]1CCCOC1 ZINC001237086717 819664304 /nfs/dbraw/zinc/66/43/04/819664304.db2.gz NWEQDWGDJPSNES-VIFPVBQESA-N -1 3 290.190 3.310 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]2CCCO[C@H]2C1 ZINC001237617987 819787472 /nfs/dbraw/zinc/78/74/72/819787472.db2.gz WCSWVTRFMWDWNB-YGRLFVJLSA-N -1 3 299.773 3.186 20 10 CGCDHM CN(Cc1cccs1)Cc1cc(F)cc(F)c1[O-] ZINC001474315681 937204562 /nfs/dbraw/zinc/20/45/62/937204562.db2.gz SYLGGXQKNOTMPL-UHFFFAOYSA-N -1 3 269.316 3.364 20 10 CGCDHM Cc1ccc2cc(C(=O)NCc3c([O-])cccc3F)[nH]c2c1 ZINC001303879334 932836964 /nfs/dbraw/zinc/83/69/64/932836964.db2.gz YKTZRYRYESBKMR-UHFFFAOYSA-N -1 3 298.317 3.251 20 10 CGCDHM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CC2(CCCC2)O1 ZINC001462408362 937638561 /nfs/dbraw/zinc/63/85/61/937638561.db2.gz VVTJPWJGMYORLE-NSHDSACASA-N -1 3 297.345 3.204 20 10 CGCDHM CCn1ncc(NCc2ccc(Cl)cc2[O-])c1C ZINC001462553995 937649943 /nfs/dbraw/zinc/64/99/43/937649943.db2.gz ANMGFCQZYSBELZ-UHFFFAOYSA-N -1 3 265.744 3.183 20 10 CGCDHM Cc1ccc(C(=O)Nc2cncc(C(C)C)c2)c([O-])c1O ZINC001558647611 938216821 /nfs/dbraw/zinc/21/68/21/938216821.db2.gz NWPYFRUNOVGVTN-UHFFFAOYSA-N -1 3 286.331 3.177 20 10 CGCDHM C[C@H]([NH2+]C[C@@H](C)C(C)(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593240702 994430420 /nfs/dbraw/zinc/43/04/20/994430420.db2.gz RNXUWHTVKRBSDK-MNOVXSKESA-N -1 3 279.380 3.423 20 10 CGCDHM C[C@H](NCc1cc(Br)ccc1[O-])C(F)(F)F ZINC000288525640 371739419 /nfs/dbraw/zinc/73/94/19/371739419.db2.gz VDXLPTOUAPHJSP-LURJTMIESA-N -1 3 298.102 3.195 20 10 CGCDHM Cc1ccc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)c([O-])c1O ZINC000294903799 372678637 /nfs/dbraw/zinc/67/86/37/372678637.db2.gz VRXRXMXGYCMXEQ-OLZOCXBDSA-N -1 3 289.375 3.057 20 10 CGCDHM COC[C@H](N[C@H]1CCc2cccc([O-])c21)c1ccc(C)o1 ZINC000297516786 373274357 /nfs/dbraw/zinc/27/43/57/373274357.db2.gz CWORKZVUKVTSSJ-KBPBESRZSA-N -1 3 287.359 3.258 20 10 CGCDHM CCC[C@@]1(C)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000185766805 374731599 /nfs/dbraw/zinc/73/15/99/374731599.db2.gz REGHNXFTNFNHDF-INIZCTEOSA-N -1 3 277.364 3.140 20 10 CGCDHM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000189907001 375459023 /nfs/dbraw/zinc/45/90/23/375459023.db2.gz VMNMZJOCUCEPCT-TZMCWYRMSA-N -1 3 297.354 3.116 20 10 CGCDHM O=C(NCc1cc(Cl)ccc1[O-])[C@H]1CCCC12CC2 ZINC000529511408 375927052 /nfs/dbraw/zinc/92/70/52/375927052.db2.gz IVWLLFDFMUYFNG-GFCCVEGCSA-N -1 3 279.767 3.242 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ccc2ccccc2c1[O-])c1nncn1C ZINC000273598057 378755646 /nfs/dbraw/zinc/75/56/46/378755646.db2.gz RCQSLIVYBHOYOI-NWDGAFQWSA-N -1 3 296.374 3.086 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@]2(C1)CCCOC2 ZINC000375300733 379489584 /nfs/dbraw/zinc/48/95/84/379489584.db2.gz CJCMBSHIEFUAQD-HNNXBMFYSA-N -1 3 299.773 3.187 20 10 CGCDHM CCCCN(Cc1csnn1)Cc1ccccc1[O-] ZINC000283090575 380032675 /nfs/dbraw/zinc/03/26/75/380032675.db2.gz SCDYXWWHMBAHAW-UHFFFAOYSA-N -1 3 277.393 3.046 20 10 CGCDHM CC[C@@H](N[C@@H](C)c1nnc(C)s1)c1ccc(F)cc1[O-] ZINC000286182042 380171276 /nfs/dbraw/zinc/17/12/76/380171276.db2.gz QJYNHKBLCWXHOF-QPUJVOFHSA-N -1 3 295.383 3.493 20 10 CGCDHM CC[C@H](NCc1nccs1)c1ccc(F)cc1[O-] ZINC000285982861 380154377 /nfs/dbraw/zinc/15/43/77/380154377.db2.gz HTCBWRVQOACLFG-NSHDSACASA-N -1 3 266.341 3.229 20 10 CGCDHM CCN(Cc1ccccc1)C(=O)c1cc([O-])cs1 ZINC000732258408 572454993 /nfs/dbraw/zinc/45/49/93/572454993.db2.gz NJQAHEZOSADZKO-UHFFFAOYSA-N -1 3 261.346 3.116 20 10 CGCDHM C[C@H](N[C@H]1CCCc2c[nH]nc21)c1cc(Cl)ccc1[O-] ZINC000363866772 382259212 /nfs/dbraw/zinc/25/92/12/382259212.db2.gz PGGUNZRGEGBLEW-ZANVPECISA-N -1 3 291.782 3.497 20 10 CGCDHM CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000179482797 392701921 /nfs/dbraw/zinc/70/19/21/392701921.db2.gz WVFAZRJKNNHKBS-CMPLNLGQSA-N -1 3 291.391 3.445 20 10 CGCDHM COc1ccc(CN[C@H](C)c2ccc(F)cc2[O-])cc1O ZINC000185300706 262049041 /nfs/dbraw/zinc/04/90/41/262049041.db2.gz ZRBQUPVVQZAOMQ-SNVBAGLBSA-N -1 3 291.322 3.096 20 10 CGCDHM CC(C)O[C@@]1(C)C[C@H]1NCc1c([O-])cccc1Cl ZINC000527799750 330284190 /nfs/dbraw/zinc/28/41/90/330284190.db2.gz MLCDSERNHJSUCC-KGLIPLIRSA-N -1 3 269.772 3.091 20 10 CGCDHM CCCN(Cc1cc(C)on1)Cc1ccccc1[O-] ZINC000069009883 521680892 /nfs/dbraw/zinc/68/08/92/521680892.db2.gz IVWSVGFXVBITQU-UHFFFAOYSA-N -1 3 260.337 3.101 20 10 CGCDHM Cn1nc(NCc2c([O-])cccc2Cl)cc1C1CC1 ZINC000289972700 527556671 /nfs/dbraw/zinc/55/66/71/527556671.db2.gz WFEZFWIPSQEKSM-UHFFFAOYSA-N -1 3 277.755 3.269 20 10 CGCDHM O=C(Nc1ccc(Br)cc1)c1cc([O-])cs1 ZINC000731867528 572433559 /nfs/dbraw/zinc/43/35/59/572433559.db2.gz LUOGTDZTLXZHKD-UHFFFAOYSA-N -1 3 298.161 3.469 20 10 CGCDHM COc1cccc([O-])c1CNCc1ccc([C@H]2C[C@H]2C)o1 ZINC000725847287 572439637 /nfs/dbraw/zinc/43/96/37/572439637.db2.gz YMKYLSHFYOWSOU-YPMHNXCESA-N -1 3 287.359 3.407 20 10 CGCDHM C[C@@H](c1ccccc1F)N(C)C(=O)c1cc([O-])cs1 ZINC000732268022 572455556 /nfs/dbraw/zinc/45/55/56/572455556.db2.gz CHJDTCZVUJARGJ-VIFPVBQESA-N -1 3 279.336 3.426 20 10 CGCDHM CN(C(=O)c1cc([O-])cs1)[C@H]1CCc2ccccc2C1 ZINC000734016099 572624655 /nfs/dbraw/zinc/62/46/55/572624655.db2.gz JYNATTIXAPAMGB-ZDUSSCGKSA-N -1 3 287.384 3.083 20 10 CGCDHM CC(C)(CC(=O)[O-])[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000736311198 572780442 /nfs/dbraw/zinc/78/04/42/572780442.db2.gz LWSSBUACDZLUIB-UHFFFAOYSA-N -1 3 299.370 3.402 20 10 CGCDHM CCCCn1ncc(NC(=O)c2cc([O-])cs2)c1C ZINC000746301326 572865586 /nfs/dbraw/zinc/86/55/86/572865586.db2.gz LLIBIUOSRNUKTG-UHFFFAOYSA-N -1 3 279.365 3.011 20 10 CGCDHM CC(C)[C@H]1CCN1Cc1c([O-])ccc(Cl)c1F ZINC000792173490 629344589 /nfs/dbraw/zinc/34/45/89/629344589.db2.gz ZUUOMSLNUGQMEW-LLVKDONJSA-N -1 3 257.736 3.415 20 10 CGCDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000045929098 619253888 /nfs/dbraw/zinc/25/38/88/619253888.db2.gz BPGKEMAVLXGYHX-UHFFFAOYSA-N -1 3 291.372 3.064 20 10 CGCDHM C[C@@H](c1ccco1)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000893932215 619335355 /nfs/dbraw/zinc/33/53/55/619335355.db2.gz ZGCNLFJQQKOFOB-VIFPVBQESA-N -1 3 267.275 3.456 20 10 CGCDHM CC[C@@H](NCc1cn(C)cn1)c1cccc(Cl)c1[O-] ZINC000903351997 621709341 /nfs/dbraw/zinc/70/93/41/621709341.db2.gz PUUWDYYDLCCWRJ-CYBMUJFWSA-N -1 3 279.771 3.020 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1nnc(C2CCC2)o1 ZINC000905428976 622074561 /nfs/dbraw/zinc/07/45/61/622074561.db2.gz QFEQSCVVHPWATN-UHFFFAOYSA-N -1 3 279.727 3.308 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN[C@@H](c1ccccn1)C1CC1 ZINC000922583022 626016267 /nfs/dbraw/zinc/01/62/67/626016267.db2.gz SIQJDFFITFMAOI-OAHLLOKOSA-N -1 3 290.313 3.306 20 10 CGCDHM C[C@@H](NCc1ccc(F)cn1)c1cc(F)cc(F)c1[O-] ZINC000756661143 626725453 /nfs/dbraw/zinc/72/54/53/626725453.db2.gz YIQVXVJSLJWXMN-MRVPVSSYSA-N -1 3 282.265 3.055 20 10 CGCDHM Cc1ccc([C@@H](NC(=O)c2cccc(O)c2[O-])C2CC2)cc1 ZINC000776328228 628194216 /nfs/dbraw/zinc/19/42/16/628194216.db2.gz ZYEKYJAYBNUUSW-MRXNPFEDSA-N -1 3 297.354 3.287 20 10 CGCDHM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000776646550 628224345 /nfs/dbraw/zinc/22/43/45/628224345.db2.gz YLRXROZNNSFQRR-YPMHNXCESA-N -1 3 277.364 3.187 20 10 CGCDHM CO[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1C ZINC000784666963 628828190 /nfs/dbraw/zinc/82/81/90/628828190.db2.gz CNEXOBMWKOKPHT-TVQRCGJNSA-N -1 3 287.762 3.042 20 10 CGCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H]2CCCC[C@@H]12 ZINC000790861893 629238128 /nfs/dbraw/zinc/23/81/28/629238128.db2.gz NOOMNADBZKEVLR-DYEKYZERSA-N -1 3 289.375 3.139 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCc2c(O)cccc2C1 ZINC000862528915 629391544 /nfs/dbraw/zinc/39/15/44/629391544.db2.gz FBHDITBZNVKZGN-UHFFFAOYSA-N -1 3 289.762 3.310 20 10 CGCDHM Cc1ccoc1CNCc1c([O-])ccc(Cl)c1F ZINC000813790892 631460862 /nfs/dbraw/zinc/46/08/62/631460862.db2.gz IEWCQNDIOBCSAG-UHFFFAOYSA-N -1 3 269.703 3.376 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1ccoc1 ZINC000816537651 632006001 /nfs/dbraw/zinc/00/60/01/632006001.db2.gz MGEAZXJHLLNHOF-UHFFFAOYSA-N -1 3 255.676 3.068 20 10 CGCDHM COC[C@@H]1CCCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000825293963 633342244 /nfs/dbraw/zinc/34/22/44/633342244.db2.gz FXCJSAKZBUDGBR-NSHDSACASA-N -1 3 287.762 3.186 20 10 CGCDHM CC1(C)CN(Cc2cc(Cl)cc(F)c2[O-])[C@@H]2COC[C@@H]21 ZINC000825331509 633347085 /nfs/dbraw/zinc/34/70/85/633347085.db2.gz IBHJSNBARMBGKP-WCQYABFASA-N -1 3 299.773 3.042 20 10 CGCDHM Cc1cc([O-])c(CN2CCC=C(F)C2)cc1Cl ZINC000825461844 633356013 /nfs/dbraw/zinc/35/60/13/633356013.db2.gz PTAMMRLCQXQINH-UHFFFAOYSA-N -1 3 255.720 3.413 20 10 CGCDHM CN(Cc1cnc[nH]1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000826769852 633431829 /nfs/dbraw/zinc/43/18/29/633431829.db2.gz SXAAASAQKZPGNB-UHFFFAOYSA-N -1 3 286.162 3.054 20 10 CGCDHM CCc1ncc(CN[C@@H](CC)c2ccc(F)cc2[O-])o1 ZINC000834899643 634277064 /nfs/dbraw/zinc/27/70/64/634277064.db2.gz LGFJBWXVQJHKOQ-ZDUSSCGKSA-N -1 3 278.327 3.323 20 10 CGCDHM CCc1ncc(CN[C@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000834901342 634277760 /nfs/dbraw/zinc/27/77/60/634277760.db2.gz ZZPGDYVUINZNTK-MRVPVSSYSA-N -1 3 282.290 3.072 20 10 CGCDHM CN(C(=O)c1ccc2c(c1[O-])CCCC2)c1ccc(N)cc1 ZINC000877076086 634974013 /nfs/dbraw/zinc/97/40/13/634974013.db2.gz LZYIOMQCPIOWCT-UHFFFAOYSA-N -1 3 296.370 3.130 20 10 CGCDHM COc1ccc(C)cc1CNCc1cc(F)cc(F)c1[O-] ZINC000882883107 636447513 /nfs/dbraw/zinc/44/75/13/636447513.db2.gz NOFCDEMHKONMDB-UHFFFAOYSA-N -1 3 293.313 3.277 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CNc1cc2c(cn1)CCC2 ZINC000883131864 636550125 /nfs/dbraw/zinc/55/01/25/636550125.db2.gz WLRIYACKNCPPGL-UHFFFAOYSA-N -1 3 276.286 3.166 20 10 CGCDHM Cc1noc(C)c1CN(C)Cc1c([O-])cccc1Cl ZINC000131413371 636652683 /nfs/dbraw/zinc/65/26/83/636652683.db2.gz HHIMPLXZOYXVKD-UHFFFAOYSA-N -1 3 280.755 3.282 20 10 CGCDHM CC[C@@H]1CO[C@@H](C)CN1Cc1c([O-])cccc1Cl ZINC000131501528 636670142 /nfs/dbraw/zinc/67/01/42/636670142.db2.gz JNBRIRGVTBBWHP-WDEREUQCSA-N -1 3 269.772 3.045 20 10 CGCDHM Cc1csc(CN[C@@H](C)c2c([O-])cccc2F)n1 ZINC000886498944 637543347 /nfs/dbraw/zinc/54/33/47/637543347.db2.gz VGNZXLYEEYYAKB-VIFPVBQESA-N -1 3 266.341 3.147 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)C1(c2ccccc2)CCC1 ZINC000928709561 638889465 /nfs/dbraw/zinc/88/94/65/638889465.db2.gz JNUZCFVQVRGRLA-UHFFFAOYSA-N -1 3 299.345 3.269 20 10 CGCDHM CCCC[C@@](C)(F)C(=O)NCc1c([O-])cccc1F ZINC000928710078 638889567 /nfs/dbraw/zinc/88/95/67/638889567.db2.gz GRZSPKUQLANCMW-CQSZACIVSA-N -1 3 271.307 3.066 20 10 CGCDHM O=C(/C=C\c1ccccc1F)NCc1c([O-])cccc1F ZINC001156177224 805663113 /nfs/dbraw/zinc/66/31/13/805663113.db2.gz BOCXZCAXIOLCIT-HJWRWDBZSA-N -1 3 289.281 3.000 20 10 CGCDHM Cc1nc(CNCc2cccc(Cl)c2[O-])sc1C ZINC000719528853 800240782 /nfs/dbraw/zinc/24/07/82/800240782.db2.gz XUQCYIHUGYRDRC-UHFFFAOYSA-N -1 3 282.796 3.409 20 10 CGCDHM COc1cccc2c1CN(Cc1c([O-])cccc1F)CC2 ZINC001137831816 803778261 /nfs/dbraw/zinc/77/82/61/803778261.db2.gz OQJYTWPWIKNCGR-UHFFFAOYSA-N -1 3 287.334 3.098 20 10 CGCDHM C[C@@]1(F)CCCCN(Cc2c([O-])cccc2F)C1 ZINC001137832619 803778405 /nfs/dbraw/zinc/77/84/05/803778405.db2.gz BJSSUJJNRNOVMT-CQSZACIVSA-N -1 3 255.308 3.245 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CCC(F)(F)[C@H](F)C1 ZINC001140462446 804441861 /nfs/dbraw/zinc/44/18/61/804441861.db2.gz GPSMWDSBVZXMIJ-LLVKDONJSA-N -1 3 279.689 3.225 20 10 CGCDHM CCCCOC1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140466442 804443886 /nfs/dbraw/zinc/44/38/86/804443886.db2.gz FXYWHNUCWDMBQX-UHFFFAOYSA-N -1 3 269.772 3.047 20 10 CGCDHM O=C(NCc1ccccc1O)c1c([O-])ccc2ccccc21 ZINC001153503557 805399489 /nfs/dbraw/zinc/39/94/89/805399489.db2.gz AYBTYUVYBUESID-UHFFFAOYSA-N -1 3 293.322 3.181 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](C2CCCC2)C1 ZINC001264009015 808027759 /nfs/dbraw/zinc/02/77/59/808027759.db2.gz HQHKTYQXMOQGHK-CYBMUJFWSA-N -1 3 289.375 3.140 20 10 CGCDHM CC(C)C1CCC(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC001294735346 809474398 /nfs/dbraw/zinc/47/43/98/809474398.db2.gz IWWAOLOBJIQRBW-UHFFFAOYSA-N -1 3 291.391 3.290 20 10 CGCDHM Cc1cccc(-c2noc(-c3cccc(O)c3[O-])n2)c1F ZINC001215143660 815489150 /nfs/dbraw/zinc/48/91/50/815489150.db2.gz IVNRDDVSPPCOQF-UHFFFAOYSA-N -1 3 286.262 3.262 20 10 CGCDHM C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1[O-] ZINC001203536536 812387198 /nfs/dbraw/zinc/38/71/98/812387198.db2.gz XVDIFABFDFLCAN-SECBINFHSA-N -1 3 279.286 3.227 20 10 CGCDHM O=C1CCN(Cc2cc(Cl)ccc2[O-])[C@@H]2CCCC[C@H]12 ZINC001203648146 812414925 /nfs/dbraw/zinc/41/49/25/812414925.db2.gz FCLWVJSRWISUNA-UONOGXRCSA-N -1 3 293.794 3.379 20 10 CGCDHM [O-]c1ccc(Nc2ccc3c(c2)OCCN3)c(F)c1F ZINC001209728957 814122566 /nfs/dbraw/zinc/12/25/66/814122566.db2.gz XIDNXCXDGUXUDM-UHFFFAOYSA-N -1 3 278.258 3.218 20 10 CGCDHM O=C1CN(Cc2ccc3ccccc3c2[O-])CCC[C@H]1F ZINC001231879683 818199136 /nfs/dbraw/zinc/19/91/36/818199136.db2.gz NOHNEIJFKNRSSE-OAHLLOKOSA-N -1 3 287.334 3.048 20 10 CGCDHM C[C@@]1(F)CCN(Cc2cc(Cl)c([O-])cc2O)C[C@H]1F ZINC001232258925 818295279 /nfs/dbraw/zinc/29/52/79/818295279.db2.gz DOQZNXUGUZKMJN-CHWSQXEVSA-N -1 3 291.725 3.023 20 10 CGCDHM CC(=O)[C@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237083243 819663470 /nfs/dbraw/zinc/66/34/70/819663470.db2.gz ADFFHUHNSKKMIY-VIFPVBQESA-N -1 3 288.174 3.110 20 10 CGCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001237124947 819673412 /nfs/dbraw/zinc/67/34/12/819673412.db2.gz SWMBDEHYLXSBRO-HZMBPMFUSA-N -1 3 299.773 3.186 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@]2(CC2(F)F)C1 ZINC001237799269 819844239 /nfs/dbraw/zinc/84/42/39/819844239.db2.gz QNGIXMGKISSYDT-GFCCVEGCSA-N -1 3 291.700 3.416 20 10 CGCDHM C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001308728933 928539654 /nfs/dbraw/zinc/53/96/54/928539654.db2.gz CHONHKSBMHRJSU-VXNVDRBHSA-N -1 3 295.251 3.443 20 10 CGCDHM Cc1ccc(C(=O)Nc2ccc(C(C)C)nc2)c([O-])c1O ZINC001303929278 932836934 /nfs/dbraw/zinc/83/69/34/932836934.db2.gz UPAYNVWVAKOXKS-UHFFFAOYSA-N -1 3 286.331 3.177 20 10 CGCDHM [O-]c1cccc(F)c1CNCc1c(Cl)ccnc1F ZINC001462588956 937652545 /nfs/dbraw/zinc/65/25/45/937652545.db2.gz IPKOQJXEDXHGJC-UHFFFAOYSA-N -1 3 284.693 3.009 20 10 CGCDHM CC1CCC(CNC(=O)NCc2c([O-])cccc2F)CC1 ZINC001311701924 933309433 /nfs/dbraw/zinc/30/94/33/933309433.db2.gz MROPMTMXCDXKEU-UHFFFAOYSA-N -1 3 294.370 3.157 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1ccc2cccnc2c1 ZINC001558457469 938215522 /nfs/dbraw/zinc/21/55/22/938215522.db2.gz NJPAYLOWTKIGCI-UHFFFAOYSA-N -1 3 296.301 3.010 20 10 CGCDHM C[C@H]([NH2+]C1(C2CCC2)CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593208463 994225431 /nfs/dbraw/zinc/22/54/31/994225431.db2.gz CHRCWSVALGYJRG-NSHDSACASA-N -1 3 289.375 3.464 20 10 CGCDHM C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593258303 994542693 /nfs/dbraw/zinc/54/26/93/994542693.db2.gz ZRZXSISVKJWRTD-RISCZKNCSA-N -1 3 297.354 3.081 20 10 CGCDHM COCc1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000113318320 370471751 /nfs/dbraw/zinc/47/17/51/370471751.db2.gz IZQPNPZVGANIJH-UHFFFAOYSA-N -1 3 291.778 3.482 20 10 CGCDHM COCCc1ccnc(N[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000287643683 371687752 /nfs/dbraw/zinc/68/77/52/371687752.db2.gz URQDZUTWOZZTOA-NSHDSACASA-N -1 3 290.338 3.288 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC000272335027 378615124 /nfs/dbraw/zinc/61/51/24/378615124.db2.gz XHZRWWLDNXHMAE-CQSZACIVSA-N -1 3 260.312 3.197 20 10 CGCDHM C[C@@H](N[C@@H](C)c1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000273551311 378751769 /nfs/dbraw/zinc/75/17/69/378751769.db2.gz GBUKKXNNJRXSJO-VHSXEESVSA-N -1 3 279.771 3.191 20 10 CGCDHM Cc1cc([C@@H]2CCCN2Cc2cccc(F)c2[O-])no1 ZINC000371532833 379168370 /nfs/dbraw/zinc/16/83/70/379168370.db2.gz BGCMTMQNECAGLH-AWEZNQCLSA-N -1 3 276.311 3.165 20 10 CGCDHM CC[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(F)cc1[O-] ZINC000286281959 380188201 /nfs/dbraw/zinc/18/82/01/380188201.db2.gz WAONSWMZJWTKSG-KBPBESRZSA-N -1 3 289.354 3.373 20 10 CGCDHM CC(C)CO[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000180723337 392711407 /nfs/dbraw/zinc/71/14/07/392711407.db2.gz YTHKORSOMFNMOP-ZDUSSCGKSA-N -1 3 283.799 3.293 20 10 CGCDHM [O-]c1cccc(Cl)c1CN(CCO)Cc1ccccc1 ZINC000158322794 261163622 /nfs/dbraw/zinc/16/36/22/261163622.db2.gz GHUBALUKPIHPSM-UHFFFAOYSA-N -1 3 291.778 3.040 20 10 CGCDHM Cc1nn(C)cc1[C@H](C)N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000185349345 262051511 /nfs/dbraw/zinc/05/15/11/262051511.db2.gz SQTPUBXSOCPOES-ZJUUUORDSA-N -1 3 293.798 3.499 20 10 CGCDHM C[C@@H](CC(=O)NCc1cc(Cl)ccc1[O-])c1ccco1 ZINC000529511705 333492058 /nfs/dbraw/zinc/49/20/58/333492058.db2.gz KJGCMTSJXYLUTP-JTQLQIEISA-N -1 3 293.750 3.449 20 10 CGCDHM COC[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000211400423 522844588 /nfs/dbraw/zinc/84/45/88/522844588.db2.gz STCDLIXLURNDHX-VIFPVBQESA-N -1 3 290.190 3.167 20 10 CGCDHM COc1ccc2ccc([O-])c(CN(C)Cc3ccon3)c2c1 ZINC000739884595 572425726 /nfs/dbraw/zinc/42/57/26/572425726.db2.gz IPWYBEQCCNSITQ-UHFFFAOYSA-N -1 3 298.342 3.174 20 10 CGCDHM CN(Cc1ccc(F)cc1F)C(=O)c1cc([O-])cs1 ZINC000731867076 572433392 /nfs/dbraw/zinc/43/33/92/572433392.db2.gz DMTCKMOAOSUOOD-UHFFFAOYSA-N -1 3 283.299 3.004 20 10 CGCDHM CC1(C)Oc2ccc(NC(=O)c3cc([O-])cs3)cc2O1 ZINC000731869250 572433999 /nfs/dbraw/zinc/43/39/99/572433999.db2.gz DNONMOLZMFIHPG-UHFFFAOYSA-N -1 3 291.328 3.213 20 10 CGCDHM C[C@H]1CCCC[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000732278199 572458087 /nfs/dbraw/zinc/45/80/87/572458087.db2.gz WSJPNVWGBZDLLJ-VHSXEESVSA-N -1 3 253.367 3.010 20 10 CGCDHM C[C@H]1CCCC[C@@H]1CCNC(=O)c1cc([O-])cs1 ZINC000734017721 572624680 /nfs/dbraw/zinc/62/46/80/572624680.db2.gz PFQPBEBEIOHSEO-WDEREUQCSA-N -1 3 267.394 3.400 20 10 CGCDHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc([O-])cs1 ZINC000734554432 572665473 /nfs/dbraw/zinc/66/54/73/572665473.db2.gz BSANUERZVHRPSG-AAEUAGOBSA-N -1 3 287.384 3.472 20 10 CGCDHM C[C@H]1CCC[C@H](CCNC(=O)c2cc([O-])cs2)C1 ZINC000734558397 572666088 /nfs/dbraw/zinc/66/60/88/572666088.db2.gz SJIHIDQRGKHHDS-WDEREUQCSA-N -1 3 267.394 3.400 20 10 CGCDHM CCN(Cc1ccccn1)Cc1cc(F)cc(F)c1[O-] ZINC000894019683 619350828 /nfs/dbraw/zinc/35/08/28/619350828.db2.gz ATPZGPXIMNUJJO-UHFFFAOYSA-N -1 3 278.302 3.088 20 10 CGCDHM CC(C)(C)c1nnc(NCc2c([O-])cccc2F)s1 ZINC000895833162 619894430 /nfs/dbraw/zinc/89/44/30/619894430.db2.gz VJLHLUPTCVPNAH-UHFFFAOYSA-N -1 3 281.356 3.292 20 10 CGCDHM CCOc1cccc(F)c1CNCc1c([O-])cccc1F ZINC000896643293 620039956 /nfs/dbraw/zinc/03/99/56/620039956.db2.gz UPGHGODEQDYSGQ-UHFFFAOYSA-N -1 3 293.313 3.359 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)[C@@H](c1ccccc1)C1CC1 ZINC000928706493 620207876 /nfs/dbraw/zinc/20/78/76/620207876.db2.gz URMBXSRSUFJMTR-KRWDZBQOSA-N -1 3 299.345 3.341 20 10 CGCDHM CCCc1occc1C(=O)NCc1c([O-])cccc1F ZINC000928708684 620208348 /nfs/dbraw/zinc/20/83/48/620208348.db2.gz QAWXQWZQGKAEKO-UHFFFAOYSA-N -1 3 277.295 3.007 20 10 CGCDHM CC[C@H](NCc1csc(N)n1)c1cccc(Cl)c1[O-] ZINC000902498699 621345330 /nfs/dbraw/zinc/34/53/30/621345330.db2.gz IPQCIGGQUOONEV-NSHDSACASA-N -1 3 297.811 3.325 20 10 CGCDHM COCCc1ccccc1NCc1cccc(F)c1[O-] ZINC000228075265 623039398 /nfs/dbraw/zinc/03/93/98/623039398.db2.gz MYWCVEVGRVKMLK-UHFFFAOYSA-N -1 3 275.323 3.332 20 10 CGCDHM CCN(Cc1cc(Br)ccc1[O-])CC(F)F ZINC000076118554 625052870 /nfs/dbraw/zinc/05/28/70/625052870.db2.gz DDQQRQUKRNANKT-UHFFFAOYSA-N -1 3 294.139 3.242 20 10 CGCDHM Cc1occc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756483660 626708943 /nfs/dbraw/zinc/70/89/43/626708943.db2.gz UHKTYXKYWITZST-VIFPVBQESA-N -1 3 276.292 3.053 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCc2ccc(O)cc2C1 ZINC000768869739 627504548 /nfs/dbraw/zinc/50/45/48/627504548.db2.gz XTVAGJMOWUDNTN-UHFFFAOYSA-N -1 3 289.762 3.310 20 10 CGCDHM CCOC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775654157 628119992 /nfs/dbraw/zinc/11/99/92/628119992.db2.gz UADVHJKPXOVNPL-UHFFFAOYSA-N -1 3 287.762 3.186 20 10 CGCDHM Cc1ccc(C[C@@H](C)NC(=O)c2cccc(O)c2[O-])c(C)c1 ZINC000776649157 628224444 /nfs/dbraw/zinc/22/44/44/628224444.db2.gz BMTCQUUYJPMPCY-CYBMUJFWSA-N -1 3 299.370 3.076 20 10 CGCDHM CCC(F)(F)CNCc1cc(Cl)c(C)cc1[O-] ZINC000862489253 629389094 /nfs/dbraw/zinc/38/90/94/629389094.db2.gz FYXNTKJARFXVTO-UHFFFAOYSA-N -1 3 263.715 3.489 20 10 CGCDHM Cc1ncc(CNCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000809775563 630803330 /nfs/dbraw/zinc/80/33/30/630803330.db2.gz DSMFHQPMMODWNJ-UHFFFAOYSA-N -1 3 298.173 3.087 20 10 CGCDHM COc1cccc(CN(C)Cc2ccc(F)c(F)c2[O-])c1 ZINC000876532004 634851720 /nfs/dbraw/zinc/85/17/20/634851720.db2.gz AKBCKNJPYNZDQT-UHFFFAOYSA-N -1 3 293.313 3.311 20 10 CGCDHM C[C@H](NCc1ccon1)c1cccc(C(F)(F)F)c1[O-] ZINC000815585271 631801766 /nfs/dbraw/zinc/80/17/66/631801766.db2.gz CCJTZZLQFVXZGH-QMMMGPOBSA-N -1 3 286.253 3.250 20 10 CGCDHM CO[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[C@@H]1C ZINC000816586391 632017167 /nfs/dbraw/zinc/01/71/67/632017167.db2.gz GSKJYKONPLQZGD-LKFCYVNXSA-N -1 3 287.762 3.042 20 10 CGCDHM Cc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000866478571 633150516 /nfs/dbraw/zinc/15/05/16/633150516.db2.gz JTTWQSDETWGSHH-SNVBAGLBSA-N -1 3 276.292 3.053 20 10 CGCDHM Cc1cc([O-])c(CNC2(C(F)F)CC2)cc1Cl ZINC000825780032 633381518 /nfs/dbraw/zinc/38/15/18/633381518.db2.gz UGBPMWSEGXFGOW-UHFFFAOYSA-N -1 3 261.699 3.241 20 10 CGCDHM C[C@@]12COC[C@]1(C)CN(Cc1c([O-])ccc(Cl)c1F)C2 ZINC000827017654 633448702 /nfs/dbraw/zinc/44/87/02/633448702.db2.gz HNMAEUGHTMKWGB-GASCZTMLSA-N -1 3 299.773 3.043 20 10 CGCDHM CC(C)(C)C(F)(F)CNCc1cc(F)ccc1[O-] ZINC000827722522 633512376 /nfs/dbraw/zinc/51/23/76/633512376.db2.gz LNAKCPVPINZTFC-UHFFFAOYSA-N -1 3 261.287 3.302 20 10 CGCDHM Cc1nccnc1[C@H](C)N[C@@H](C)c1ccc(F)cc1[O-] ZINC000872133839 634056026 /nfs/dbraw/zinc/05/60/26/634056026.db2.gz PCKIEXIEYZHDHO-ONGXEEELSA-N -1 3 275.327 3.042 20 10 CGCDHM CC[C@H](N[C@H]1CCn2ccnc21)c1cccc(Cl)c1[O-] ZINC000834830830 634252094 /nfs/dbraw/zinc/25/20/94/634252094.db2.gz GWGLXXDCTNWARW-STQMWFEESA-N -1 3 291.782 3.428 20 10 CGCDHM C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1cc(F)cc(F)c1[O-] ZINC000834892102 634269934 /nfs/dbraw/zinc/26/99/34/634269934.db2.gz AYOQTJYEMSCMKA-MWODSPESSA-N -1 3 293.317 3.224 20 10 CGCDHM C[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1cc(F)cc(F)c1[O-] ZINC000834892103 634270248 /nfs/dbraw/zinc/27/02/48/634270248.db2.gz AYOQTJYEMSCMKA-RVBZMBCESA-N -1 3 293.317 3.224 20 10 CGCDHM CN(Cc1ccc(Cl)s1)C(=O)c1cccc(O)c1[O-] ZINC000126288409 634952564 /nfs/dbraw/zinc/95/25/64/634952564.db2.gz WLPCHSWYEDVBMW-UHFFFAOYSA-N -1 3 297.763 3.085 20 10 CGCDHM CCc1nnc(CN[C@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841758330 635232152 /nfs/dbraw/zinc/23/21/52/635232152.db2.gz SHIBIHYECCABLD-MRVPVSSYSA-N -1 3 297.811 3.310 20 10 CGCDHM CC(C)n1cc([C@H](C)NCc2cc(F)cc(F)c2[O-])cn1 ZINC000882994285 636496312 /nfs/dbraw/zinc/49/63/12/636496312.db2.gz YYPHQUUHTYMIFR-JTQLQIEISA-N -1 3 295.333 3.299 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCS[C@H](C)[C@H]2C)c1[O-] ZINC000135834701 637190615 /nfs/dbraw/zinc/19/06/15/637190615.db2.gz NVWHNTOZZWVDEJ-MWLCHTKSSA-N -1 3 297.395 3.060 20 10 CGCDHM C[C@H](Nc1ccc(CCO)cc1)c1c([O-])cccc1F ZINC000886576534 637586377 /nfs/dbraw/zinc/58/63/77/637586377.db2.gz IPXVHCUZXQGOJD-NSHDSACASA-N -1 3 275.323 3.239 20 10 CGCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1Cl ZINC000033923489 638317131 /nfs/dbraw/zinc/31/71/31/638317131.db2.gz CUQXEXZQIVPFGR-UHFFFAOYSA-N -1 3 297.763 3.155 20 10 CGCDHM CSCCCCCCC(=O)NCc1c([O-])cccc1F ZINC000928709850 638889718 /nfs/dbraw/zinc/88/97/18/638889718.db2.gz MKYHOAOWEDSRKE-UHFFFAOYSA-N -1 3 299.411 3.461 20 10 CGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000189428030 640192245 /nfs/dbraw/zinc/19/22/45/640192245.db2.gz LYQNTLODWBGJNK-UHFFFAOYSA-N -1 3 291.372 3.064 20 10 CGCDHM C[C@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000114428822 640996623 /nfs/dbraw/zinc/99/66/23/640996623.db2.gz XTNGMKYCGHEZCK-MEDUHNTESA-N -1 3 297.354 3.151 20 10 CGCDHM [O-]c1cccc(Cl)c1CN[C@H]1CCCC1(F)F ZINC000398154652 799526997 /nfs/dbraw/zinc/52/69/97/799526997.db2.gz QGXJLBWDJRJJDI-NSHDSACASA-N -1 3 261.699 3.323 20 10 CGCDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@@H](C(F)F)C1 ZINC001140583665 804467989 /nfs/dbraw/zinc/46/79/89/804467989.db2.gz QGRLUNQYXILPNY-MRVPVSSYSA-N -1 3 277.261 3.148 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](F)C(F)(F)CC1 ZINC001142509082 804729169 /nfs/dbraw/zinc/72/91/69/804729169.db2.gz WKVFDKMEIAUUFY-LBPRGKRZSA-N -1 3 295.251 3.240 20 10 CGCDHM CN(Cc1cccc(O)c1)Cc1cc(F)c(F)cc1[O-] ZINC001142509141 804729202 /nfs/dbraw/zinc/72/92/02/804729202.db2.gz YJGPSENVHXLZHF-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM CN(Cc1cc(F)c(F)cc1[O-])Cc1ccccc1F ZINC001142520998 804732049 /nfs/dbraw/zinc/73/20/49/804732049.db2.gz UDGDJEKENWBCMO-UHFFFAOYSA-N -1 3 281.277 3.442 20 10 CGCDHM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC001148484860 805187702 /nfs/dbraw/zinc/18/77/02/805187702.db2.gz FASWNYQVHWYKEB-HOCLYGCPSA-N -1 3 297.354 3.020 20 10 CGCDHM O=C(NCC1CCCCCCC1)c1cccc(O)c1[O-] ZINC001291832162 809423096 /nfs/dbraw/zinc/42/30/96/809423096.db2.gz MYXLEFVKZITJNS-UHFFFAOYSA-N -1 3 277.364 3.188 20 10 CGCDHM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC001292766449 809436903 /nfs/dbraw/zinc/43/69/03/809436903.db2.gz MACMENULSIHFGP-OCCSQVGLSA-N -1 3 291.391 3.433 20 10 CGCDHM CCCC[C@@H](CC)C(=O)NCc1c([O-])cccc1F ZINC001178410606 809864894 /nfs/dbraw/zinc/86/48/94/809864894.db2.gz VUIQFDXRLIBHPZ-LLVKDONJSA-N -1 3 267.344 3.364 20 10 CGCDHM Cc1ccc(F)c(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001214505940 815418341 /nfs/dbraw/zinc/41/83/41/815418341.db2.gz XVHPVVXFOWSZJE-UHFFFAOYSA-N -1 3 292.285 3.301 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CNCc1noc2ccccc12 ZINC001203651610 812415748 /nfs/dbraw/zinc/41/57/48/812415748.db2.gz JWQLKODGVPOSES-UHFFFAOYSA-N -1 3 290.269 3.101 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC2(CCC2)C1 ZINC001206186586 813232646 /nfs/dbraw/zinc/23/26/46/813232646.db2.gz OAEPJIKSJPPZHX-UHFFFAOYSA-N -1 3 255.720 3.171 20 10 CGCDHM CC(C)C(NC(=O)NCc1c([O-])cccc1F)C(C)C ZINC001223712901 816669632 /nfs/dbraw/zinc/66/96/32/816669632.db2.gz GARKFCKFYSHINO-UHFFFAOYSA-N -1 3 282.359 3.011 20 10 CGCDHM Cc1cccc(CC[N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])c1 ZINC001231452917 818101732 /nfs/dbraw/zinc/10/17/32/818101732.db2.gz WVROVTLLJDHDPW-UHFFFAOYSA-N -1 3 299.370 3.073 20 10 CGCDHM Cc1cccc(CC[N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])c1 ZINC001231452917 818101735 /nfs/dbraw/zinc/10/17/35/818101735.db2.gz WVROVTLLJDHDPW-UHFFFAOYSA-N -1 3 299.370 3.073 20 10 CGCDHM CCc1ccc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc1 ZINC001231455609 818102164 /nfs/dbraw/zinc/10/21/64/818102164.db2.gz RRINDTGXPNHXEE-UHFFFAOYSA-N -1 3 299.370 3.285 20 10 CGCDHM CCc1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc1 ZINC001231455609 818102169 /nfs/dbraw/zinc/10/21/69/818102169.db2.gz RRINDTGXPNHXEE-UHFFFAOYSA-N -1 3 299.370 3.285 20 10 CGCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC001231452029 818102365 /nfs/dbraw/zinc/10/23/65/818102365.db2.gz BAHQHWJOVFHDDB-SWLSCSKDSA-N -1 3 289.375 3.245 20 10 CGCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC001231452029 818102368 /nfs/dbraw/zinc/10/23/68/818102368.db2.gz BAHQHWJOVFHDDB-SWLSCSKDSA-N -1 3 289.375 3.245 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CCCC[C@H](F)C1 ZINC001231909614 818209515 /nfs/dbraw/zinc/20/95/15/818209515.db2.gz GMBAZRPBTMSROD-NSHDSACASA-N -1 3 257.736 3.370 20 10 CGCDHM C[C@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233027856 818505786 /nfs/dbraw/zinc/50/57/86/818505786.db2.gz FFCNHNVXNUGOLD-QMMMGPOBSA-N -1 3 288.160 3.136 20 10 CGCDHM C[C@]1(F)CCCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233332685 818586789 /nfs/dbraw/zinc/58/67/89/818586789.db2.gz UOCNCSIBKJGKSE-AWEZNQCLSA-N -1 3 273.298 3.385 20 10 CGCDHM Cc1cc(Br)c([O-])c(CN2CC3(CCC3)C2)c1 ZINC001236664943 819565428 /nfs/dbraw/zinc/56/54/28/819565428.db2.gz YQNJDFRIXAJRDS-UHFFFAOYSA-N -1 3 296.208 3.449 20 10 CGCDHM Cc1cc(Br)c([O-])c(CN2CC[C@H]2C)c1 ZINC001236662399 819565898 /nfs/dbraw/zinc/56/58/98/819565898.db2.gz DKKMIYLPARPRTC-SECBINFHSA-N -1 3 270.170 3.057 20 10 CGCDHM C[C@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])CCCO1 ZINC001236794307 819596272 /nfs/dbraw/zinc/59/62/72/819596272.db2.gz RIYKKBHPKVRFLV-VIFPVBQESA-N -1 3 290.190 3.310 20 10 CGCDHM C[C@H]1COCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078406 819661929 /nfs/dbraw/zinc/66/19/29/819661929.db2.gz RYIRAXYTXHVOQF-SECBINFHSA-N -1 3 290.190 3.167 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC2(CC2)C1 ZINC001237800476 819844938 /nfs/dbraw/zinc/84/49/38/819844938.db2.gz OUWDVFKPCGYAHM-UHFFFAOYSA-N -1 3 255.720 3.171 20 10 CGCDHM CCO[C@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237935984 819890004 /nfs/dbraw/zinc/89/00/04/819890004.db2.gz HSDIEPDZDCEMKI-NSHDSACASA-N -1 3 287.762 3.186 20 10 CGCDHM Cc1cc(Cl)nc(CNCc2cc(F)cc(F)c2[O-])c1 ZINC001474123424 937203168 /nfs/dbraw/zinc/20/31/68/937203168.db2.gz WLMHXZVZFFITEO-UHFFFAOYSA-N -1 3 298.720 3.317 20 10 CGCDHM CC[C@]1(C)CN(Cc2c([O-])cc(C)cc2Cl)CCO1 ZINC001462091849 937617570 /nfs/dbraw/zinc/61/75/70/937617570.db2.gz DJXKVDUBYISBQB-OAHLLOKOSA-N -1 3 283.799 3.355 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1cccc(C(F)F)c1 ZINC001303879172 932836204 /nfs/dbraw/zinc/83/62/04/932836204.db2.gz UMUVYCRZDRENMV-UHFFFAOYSA-N -1 3 295.260 3.399 20 10 CGCDHM O=C(Nc1cccc(-c2ccon2)c1)c1cccc(O)c1[O-] ZINC001304006062 932838772 /nfs/dbraw/zinc/83/87/72/932838772.db2.gz UTNPPTUGAQWCNG-UHFFFAOYSA-N -1 3 296.282 3.005 20 10 CGCDHM C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001308728927 933165400 /nfs/dbraw/zinc/16/54/00/933165400.db2.gz CHONHKSBMHRJSU-APPZFPTMSA-N -1 3 295.251 3.443 20 10 CGCDHM CCCOc1cncc(NCc2cc(F)c(F)cc2[O-])c1 ZINC001308869577 933194261 /nfs/dbraw/zinc/19/42/61/933194261.db2.gz PPCLGARNNJZJGY-UHFFFAOYSA-N -1 3 294.301 3.466 20 10 CGCDHM CCc1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1F ZINC001467884799 937723093 /nfs/dbraw/zinc/72/30/93/937723093.db2.gz JIVHOSIFNWPYTP-UHFFFAOYSA-N -1 3 289.306 3.360 20 10 CGCDHM COc1ccc2c(c1)CCN2Cc1cc(F)c(F)cc1[O-] ZINC001560703103 938271292 /nfs/dbraw/zinc/27/12/92/938271292.db2.gz AYXOPXYBQGPISD-UHFFFAOYSA-N -1 3 291.297 3.242 20 10 CGCDHM Cc1cc(Cl)cc([C@H](C)[NH2+]CCCCC(=O)[O-])c1[O-] ZINC001594307103 957977754 /nfs/dbraw/zinc/97/77/54/957977754.db2.gz DTRNURDIHMTECU-JTQLQIEISA-N -1 3 285.771 3.260 20 10 CGCDHM CC[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@H]1CC1(C)C ZINC001564951655 960713988 /nfs/dbraw/zinc/71/39/88/960713988.db2.gz BAUGJXSOIUEXBN-DGCLKSJQSA-N -1 3 294.370 3.155 20 10 CGCDHM C[C@@H]([NH2+]CC1(C)CCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248643 994472293 /nfs/dbraw/zinc/47/22/93/994472293.db2.gz KMMFHZXQLADGTK-LLVKDONJSA-N -1 3 277.364 3.321 20 10 CGCDHM C[C@H]([NH2+]CCCC(C)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265723 994575031 /nfs/dbraw/zinc/57/50/31/994575031.db2.gz VYTYLAICVQGIJG-VIFPVBQESA-N -1 3 287.306 3.176 20 10 CGCDHM CSCc1cnc(CN(C)Cc2ccccc2[O-])s1 ZINC000295453726 372788126 /nfs/dbraw/zinc/78/81/26/372788126.db2.gz VJNUWIHGQMVDBI-UHFFFAOYSA-N -1 3 294.445 3.344 20 10 CGCDHM COC[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295415647 372772592 /nfs/dbraw/zinc/77/25/92/372772592.db2.gz RWOCHSZNWGMPOJ-JTQLQIEISA-N -1 3 287.762 3.043 20 10 CGCDHM CCOC(=O)[C@@H](c1ccccc1)N(C)Cc1ccccc1[O-] ZINC000171937100 372860131 /nfs/dbraw/zinc/86/01/31/372860131.db2.gz UUBMSOLLRSBGBP-QGZVFWFLSA-N -1 3 299.370 3.128 20 10 CGCDHM Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]3CCCC[C@@H]32)c([O-])c1O ZINC000180528801 374018129 /nfs/dbraw/zinc/01/81/29/374018129.db2.gz WYJRNCDRQZXPKF-DYEKYZERSA-N -1 3 289.375 3.057 20 10 CGCDHM Cc1cc([C@H]2CCCN2Cc2cc(F)ccc2[O-])no1 ZINC000371536957 379167284 /nfs/dbraw/zinc/16/72/84/379167284.db2.gz WHXSJBGEBVFTRZ-CQSZACIVSA-N -1 3 276.311 3.165 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCOCc2ccccc21 ZINC000291005204 285380595 /nfs/dbraw/zinc/38/05/95/285380595.db2.gz BFMGYBGBELTULE-UHFFFAOYSA-N -1 3 273.307 3.068 20 10 CGCDHM CCN(Cc1c([O-])cccc1Cl)C[C@H]1CCCO1 ZINC000132664441 392461357 /nfs/dbraw/zinc/46/13/57/392461357.db2.gz IADGXTKVSHTUAF-LLVKDONJSA-N -1 3 269.772 3.047 20 10 CGCDHM C[C@H]1CCC[C@@H](CCNC(=O)c2cc([O-])cs2)C1 ZINC000734558396 572666373 /nfs/dbraw/zinc/66/63/73/572666373.db2.gz SJIHIDQRGKHHDS-QWRGUYRKSA-N -1 3 267.394 3.400 20 10 CGCDHM CC[N@H+](CCC(=O)[O-])Cc1cc(C(C)C)c(C)cc1[O-] ZINC000737097401 572860395 /nfs/dbraw/zinc/86/03/95/572860395.db2.gz ZFPACTUELBXMCJ-UHFFFAOYSA-N -1 3 279.380 3.121 20 10 CGCDHM CC[N@@H+](CCC(=O)[O-])Cc1cc(C(C)C)c(C)cc1[O-] ZINC000737097401 572860401 /nfs/dbraw/zinc/86/04/01/572860401.db2.gz ZFPACTUELBXMCJ-UHFFFAOYSA-N -1 3 279.380 3.121 20 10 CGCDHM CC(C)n1ccc(NCc2c([O-])cccc2Cl)n1 ZINC000280417609 520011006 /nfs/dbraw/zinc/01/10/06/520011006.db2.gz YZXAAWPQXIJKDU-UHFFFAOYSA-N -1 3 265.744 3.435 20 10 CGCDHM CCc1nnc(CN[C@@H](CC)c2ccc(C)cc2[O-])s1 ZINC000290097408 522745101 /nfs/dbraw/zinc/74/51/01/522745101.db2.gz HSPVFABLGACDMT-LBPRGKRZSA-N -1 3 291.420 3.355 20 10 CGCDHM CN(Cc1cc(C(C)(C)C)on1)Cc1ccccc1[O-] ZINC000278511139 523168840 /nfs/dbraw/zinc/16/88/40/523168840.db2.gz BJHINRGORLMXNI-UHFFFAOYSA-N -1 3 274.364 3.310 20 10 CGCDHM O=C(NC1(c2cccc(F)c2)CC1)c1cc([O-])cs1 ZINC000740142155 572434121 /nfs/dbraw/zinc/43/41/21/572434121.db2.gz JQRRUWUTPACJKO-UHFFFAOYSA-N -1 3 277.320 3.012 20 10 CGCDHM Cc1occc1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000725848663 572440818 /nfs/dbraw/zinc/44/08/18/572440818.db2.gz AYWCCTLFYMXHRI-UHFFFAOYSA-N -1 3 296.710 3.145 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CC[C@H]1c1ccccc1 ZINC000732269578 572456080 /nfs/dbraw/zinc/45/60/80/572456080.db2.gz FXKNWQDTUYDKBW-LBPRGKRZSA-N -1 3 259.330 3.041 20 10 CGCDHM CC(C)(CNC(=O)c1cc([O-])cs1)c1cccs1 ZINC000734020559 572624742 /nfs/dbraw/zinc/62/47/42/572624742.db2.gz TZYFVDIDXUHQFB-UHFFFAOYSA-N -1 3 281.402 3.223 20 10 CGCDHM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc([O-])cs1 ZINC000743417805 572657845 /nfs/dbraw/zinc/65/78/45/572657845.db2.gz CYOVISJRCWQLEQ-SCVCMEIPSA-N -1 3 265.378 3.247 20 10 CGCDHM C[C@@H]1CCC[C@@H](C)N(C(=O)c2cc([O-])cs2)C1 ZINC000743603567 572673406 /nfs/dbraw/zinc/67/34/06/572673406.db2.gz DMXWJKJIYXSPMW-NXEZZACHSA-N -1 3 253.367 3.104 20 10 CGCDHM O=C(N[C@@H]1CSc2ccccc21)c1cc([O-])cs1 ZINC000735522057 572729705 /nfs/dbraw/zinc/72/97/05/572729705.db2.gz RWTNMHISXHVKBE-SNVBAGLBSA-N -1 3 277.370 3.031 20 10 CGCDHM Cc1ccc(C(=O)Nc2cccc3ncccc32)c([O-])c1O ZINC000179388069 618780422 /nfs/dbraw/zinc/78/04/22/618780422.db2.gz STLVWLOZDPKOOW-UHFFFAOYSA-N -1 3 294.310 3.207 20 10 CGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](C)c1ccccc1 ZINC000185789691 619065080 /nfs/dbraw/zinc/06/50/80/619065080.db2.gz FIUVVVBEPHDBLC-NEPJUHHUSA-N -1 3 285.343 3.020 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@@H]1c1ccccn1 ZINC000893948012 619338817 /nfs/dbraw/zinc/33/88/17/619338817.db2.gz PODMFKRUEZLMLL-OAHLLOKOSA-N -1 3 290.313 3.403 20 10 CGCDHM CCc1ccc(CNCc2cccc(Cl)c2[O-])o1 ZINC000898219074 620489564 /nfs/dbraw/zinc/48/95/64/620489564.db2.gz UGZISGJYVBISHZ-UHFFFAOYSA-N -1 3 265.740 3.491 20 10 CGCDHM Cc1cnc(CN[C@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000756606878 626720435 /nfs/dbraw/zinc/72/04/35/626720435.db2.gz FGDOXZZYRYUKGV-MRVPVSSYSA-N -1 3 284.331 3.286 20 10 CGCDHM CC(C)(C)n1cnc(NCc2c([O-])cccc2Cl)n1 ZINC000765950835 627280796 /nfs/dbraw/zinc/28/07/96/627280796.db2.gz YTIMWQKBRKARBY-UHFFFAOYSA-N -1 3 280.759 3.004 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2CC=CCC2)c1[O-] ZINC000778966717 628380470 /nfs/dbraw/zinc/38/04/70/628380470.db2.gz MIFUVZSWPBVLIR-UHFFFAOYSA-N -1 3 265.740 3.010 20 10 CGCDHM Cc1ccccc1[C@@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000790707333 629226576 /nfs/dbraw/zinc/22/65/76/629226576.db2.gz NAQDVEDAXNTULH-INIZCTEOSA-N -1 3 297.354 3.287 20 10 CGCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H]2CCCC[C@H]12 ZINC000790861897 629238150 /nfs/dbraw/zinc/23/81/50/629238150.db2.gz NOOMNADBZKEVLR-YRGRVCCFSA-N -1 3 289.375 3.139 20 10 CGCDHM CC1(C)c2ccccc2CCN1C(=O)c1cccc(O)c1[O-] ZINC000790917229 629240592 /nfs/dbraw/zinc/24/05/92/629240592.db2.gz ZUEBQCYEBANNIM-UHFFFAOYSA-N -1 3 297.354 3.031 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2[C@H](C)C[C@H]2C)c1[O-] ZINC000791567641 629289654 /nfs/dbraw/zinc/28/96/54/629289654.db2.gz TWKAMDWJJNBJAV-RKDXNWHRSA-N -1 3 267.756 3.231 20 10 CGCDHM CC[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000798965433 630132101 /nfs/dbraw/zinc/13/21/01/630132101.db2.gz XOEKKGDMBUPLMZ-GFCCVEGCSA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1c(F)cccc1CNc1ccc(OC(F)F)nc1 ZINC000802660979 630403837 /nfs/dbraw/zinc/40/38/37/630403837.db2.gz BNZMSLZCZZQKRY-UHFFFAOYSA-N -1 3 284.237 3.140 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC(C2CC2)C1 ZINC000812775894 631305851 /nfs/dbraw/zinc/30/58/51/631305851.db2.gz PJJXPGLWBMYHQN-UHFFFAOYSA-N -1 3 255.720 3.027 20 10 CGCDHM CS[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000824683769 633273349 /nfs/dbraw/zinc/27/33/49/633273349.db2.gz UYQJILIPSJYXEE-SNVBAGLBSA-N -1 3 275.776 3.122 20 10 CGCDHM Cc1cc(C)c(CNCc2c([O-])ccc(Cl)c2F)cn1 ZINC000825221377 633336773 /nfs/dbraw/zinc/33/67/73/633336773.db2.gz KGEOKRSPXLCSAH-UHFFFAOYSA-N -1 3 294.757 3.486 20 10 CGCDHM CCn1ccnc1[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834894587 634271937 /nfs/dbraw/zinc/27/19/37/634271937.db2.gz LLYIEAGRPVGMNN-VHSXEESVSA-N -1 3 295.333 3.299 20 10 CGCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1Cl ZINC000126198808 634910936 /nfs/dbraw/zinc/91/09/36/634910936.db2.gz YHTVHOWMCYWEQK-UHFFFAOYSA-N -1 3 277.707 3.312 20 10 CGCDHM O=C(Nc1ccc(Cl)cc1)c1cccc(O)c1[O-] ZINC000126222168 634922105 /nfs/dbraw/zinc/92/21/05/634922105.db2.gz QRSRZKFQLGNSSI-UHFFFAOYSA-N -1 3 263.680 3.004 20 10 CGCDHM C[C@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877486035 635055646 /nfs/dbraw/zinc/05/56/46/635055646.db2.gz CLPNSUHTKFRPHH-IONNQARKSA-N -1 3 295.251 3.443 20 10 CGCDHM COCCN(Cc1c([O-])cc(C)cc1Cl)CC(F)F ZINC000840915576 635081719 /nfs/dbraw/zinc/08/17/19/635081719.db2.gz JPDAIQPSDOXFEJ-UHFFFAOYSA-N -1 3 293.741 3.068 20 10 CGCDHM CCn1ccnc1[C@H](C)NCc1c([O-])cc(C)cc1Cl ZINC000840951422 635091233 /nfs/dbraw/zinc/09/12/33/635091233.db2.gz XYPASFUJHQPSFJ-NSHDSACASA-N -1 3 293.798 3.421 20 10 CGCDHM CC(C)c1cc(CNCc2cc(F)cc(F)c2[O-])on1 ZINC000883000529 636501379 /nfs/dbraw/zinc/50/13/79/636501379.db2.gz DWRVGNGXEMBWPJ-UHFFFAOYSA-N -1 3 282.290 3.072 20 10 CGCDHM C[C@@H]1N(C(=O)c2cccc(O)c2[O-])c2ccccc2C1(C)C ZINC000855907097 638275900 /nfs/dbraw/zinc/27/59/00/638275900.db2.gz FWHFLLYOKUWLKP-NSHDSACASA-N -1 3 297.354 3.424 20 10 CGCDHM CCC(CC)CCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000856169756 638311716 /nfs/dbraw/zinc/31/17/16/638311716.db2.gz SWLXDVXQWNMRKZ-UHFFFAOYSA-N -1 3 279.380 3.386 20 10 CGCDHM CCCNc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000190132526 640230761 /nfs/dbraw/zinc/23/07/61/640230761.db2.gz JHTLQAWQGJDBLI-UHFFFAOYSA-N -1 3 286.331 3.172 20 10 CGCDHM [O-]c1c(O)cccc1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC001252709934 806105828 /nfs/dbraw/zinc/10/58/28/806105828.db2.gz WPKWVAFMSOWJQG-UHFFFAOYSA-N -1 3 288.690 3.468 20 10 CGCDHM COc1cc(NC(=O)c2cccc(O)c2[O-])ccc1Cl ZINC000382854925 799398753 /nfs/dbraw/zinc/39/87/53/799398753.db2.gz QJAANKNNSJZFQK-UHFFFAOYSA-N -1 3 293.706 3.012 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN[C@H]1CCCC1(F)F ZINC000398147053 799526789 /nfs/dbraw/zinc/52/67/89/799526789.db2.gz OGFXGGFYKOBKLA-NSHDSACASA-N -1 3 261.699 3.323 20 10 CGCDHM [O-]c1cc(Br)ccc1CN1CCC[C@@H](F)C1 ZINC000691679554 799786442 /nfs/dbraw/zinc/78/64/42/799786442.db2.gz JZWBODNIRDUIES-LLVKDONJSA-N -1 3 288.160 3.089 20 10 CGCDHM COc1ccc2c(c1)CCN(Cc1c([O-])cccc1F)C2 ZINC001137832036 803776920 /nfs/dbraw/zinc/77/69/20/803776920.db2.gz XWLZOXKPOYONGZ-UHFFFAOYSA-N -1 3 287.334 3.098 20 10 CGCDHM Cc1cccc2c1CN(Cc1c([O-])cccc1F)C2 ZINC001137831600 803777644 /nfs/dbraw/zinc/77/76/44/803777644.db2.gz HCYNFBXQYZDREH-UHFFFAOYSA-N -1 3 257.308 3.356 20 10 CGCDHM [O-]c1cccc(F)c1CN1CCc2ccsc2C1 ZINC001137837874 803779670 /nfs/dbraw/zinc/77/96/70/803779670.db2.gz XYJDVTLNDKCYOD-UHFFFAOYSA-N -1 3 263.337 3.151 20 10 CGCDHM [O-]c1cccc(F)c1CN1CCC[C@H](C(F)(F)F)C1 ZINC001137837848 803780677 /nfs/dbraw/zinc/78/06/77/803780677.db2.gz WZNJHWGFJRWLCD-VIFPVBQESA-N -1 3 277.261 3.306 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCOC[C@H]1C1CCCCC1 ZINC001138131270 803865154 /nfs/dbraw/zinc/86/51/54/803865154.db2.gz UWQLLCZDXCTFKO-INIZCTEOSA-N -1 3 293.382 3.312 20 10 CGCDHM [O-]c1c(F)ccc(F)c1CN1CCC(OC2CCC2)CC1 ZINC001139685482 804252631 /nfs/dbraw/zinc/25/26/31/804252631.db2.gz LJXOVNAULMHVKG-UHFFFAOYSA-N -1 3 297.345 3.204 20 10 CGCDHM CCN(Cc1cccnc1)Cc1c([O-])cccc1Cl ZINC001140341479 804419732 /nfs/dbraw/zinc/41/97/32/804419732.db2.gz QBUIVXZMMAMZMU-UHFFFAOYSA-N -1 3 276.767 3.463 20 10 CGCDHM C[C@]1(F)CCN(Cc2ccc(Cl)cc2[O-])C[C@@H]1F ZINC001140462523 804440577 /nfs/dbraw/zinc/44/05/77/804440577.db2.gz IBMHYWRAPUNXTJ-STQMWFEESA-N -1 3 275.726 3.318 20 10 CGCDHM Cc1cnc2c(c1)CN(Cc1ccc(Cl)cc1[O-])CC2 ZINC001140464639 804441364 /nfs/dbraw/zinc/44/13/64/804441364.db2.gz YHZLVLFWBBMEKQ-UHFFFAOYSA-N -1 3 288.778 3.307 20 10 CGCDHM CC(C)(C)c1cc([O-])c(CN2CC3(CCO3)C2)cc1Cl ZINC001248883573 805033235 /nfs/dbraw/zinc/03/32/35/805033235.db2.gz LCZHFMZIWSEAOZ-UHFFFAOYSA-N -1 3 295.810 3.318 20 10 CGCDHM CC[C@@H]1CO[C@H](C)CN1Cc1cc(Cl)c(C)cc1[O-] ZINC001180531761 810009392 /nfs/dbraw/zinc/00/93/92/810009392.db2.gz JQJXVFLBBDGIFR-DGCLKSJQSA-N -1 3 283.799 3.353 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CNc1cccc2[nH]nnc21 ZINC001202466297 812099712 /nfs/dbraw/zinc/09/97/12/812099712.db2.gz LLAXRZCHMFHUEW-UHFFFAOYSA-N -1 3 292.701 3.068 20 10 CGCDHM CN(Cc1cccc(O)c1)Cc1cc(F)cc(F)c1[O-] ZINC001204145404 812558312 /nfs/dbraw/zinc/55/83/12/812558312.db2.gz MZKWANYGQUSFJC-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM COc1cc([O-])c(CN(C)Cc2nccs2)cc1Cl ZINC001232269464 818300544 /nfs/dbraw/zinc/30/05/44/818300544.db2.gz BHNWJANKDSURNH-UHFFFAOYSA-N -1 3 298.795 3.143 20 10 CGCDHM COc1cc([O-])c(CN(C)Cc2cscn2)cc1Cl ZINC001232269455 818300779 /nfs/dbraw/zinc/30/07/79/818300779.db2.gz AYRYVVMUYQVROT-UHFFFAOYSA-N -1 3 298.795 3.143 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@@H]1c1ccncc1 ZINC001233334349 818586339 /nfs/dbraw/zinc/58/63/39/818586339.db2.gz CIMVVACDZLUQGS-CQSZACIVSA-N -1 3 290.313 3.403 20 10 CGCDHM COc1cc([O-])c(CN(C)Cc2cccnc2)c(Cl)c1 ZINC001236801258 819600781 /nfs/dbraw/zinc/60/07/81/819600781.db2.gz CHCPDFTXPLSLKA-UHFFFAOYSA-N -1 3 292.766 3.081 20 10 CGCDHM CN(Cc1cncnc1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236804307 819602164 /nfs/dbraw/zinc/60/21/64/819602164.db2.gz QRAVGQDPIHYDKO-UHFFFAOYSA-N -1 3 298.173 3.121 20 10 CGCDHM CC1(C)CN(Cc2c([O-])ccc(F)c2Cl)CCCO1 ZINC001237126623 819673376 /nfs/dbraw/zinc/67/33/76/819673376.db2.gz NVZIVDUDPZVXOT-UHFFFAOYSA-N -1 3 287.762 3.186 20 10 CGCDHM Cc1cc([O-])c(CN2CC[C@H](F)C2)cc1Br ZINC001237676560 819804673 /nfs/dbraw/zinc/80/46/73/819804673.db2.gz KWTSKRFVHJUARO-JTQLQIEISA-N -1 3 288.160 3.007 20 10 CGCDHM [O-]c1cc(Cl)c(F)cc1CN1CC(c2cccnc2)C1 ZINC001237948260 819892299 /nfs/dbraw/zinc/89/22/99/819892299.db2.gz BOYCHTFLIYTFEB-UHFFFAOYSA-N -1 3 292.741 3.179 20 10 CGCDHM [O-]c1ccc(F)cc1CN1Cc2cc(F)c(F)cc2C1 ZINC001308837595 928547259 /nfs/dbraw/zinc/54/72/59/928547259.db2.gz FNWPCROFRPGSRR-UHFFFAOYSA-N -1 3 279.261 3.325 20 10 CGCDHM Cc1nnc([C@H](C)NCc2ccc(Cl)cc2[O-])s1 ZINC001308672701 933154596 /nfs/dbraw/zinc/15/45/96/933154596.db2.gz NMKXYQQUCDDQPC-ZETCQYMHSA-N -1 3 283.784 3.056 20 10 CGCDHM C[C@@H]1CCC[C@@H](NC(=O)NCc2c([O-])cccc2F)[C@@H]1C ZINC001311418754 933298012 /nfs/dbraw/zinc/29/80/12/933298012.db2.gz RJGYDQIJBKWNOV-JTNHKYCSSA-N -1 3 294.370 3.155 20 10 CGCDHM C[C@@H](C(=O)NCc1c([O-])cccc1F)[C@@H](C)C(C)(C)C ZINC001471975618 937771142 /nfs/dbraw/zinc/77/11/42/937771142.db2.gz ABKPHTKVXNBTBE-GHMZBOCLSA-N -1 3 281.371 3.466 20 10 CGCDHM Cc1cc([O-])c(CN2CCOC(C)(C)[C@@H]2C)cc1Cl ZINC001560688050 938270269 /nfs/dbraw/zinc/27/02/69/938270269.db2.gz WLXFQCUIOHATEH-NSHDSACASA-N -1 3 283.799 3.353 20 10 CGCDHM CCC(C)(C)OC1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001560934668 938285105 /nfs/dbraw/zinc/28/51/05/938285105.db2.gz WMNAGTASEPBJRR-UHFFFAOYSA-N -1 3 283.799 3.435 20 10 CGCDHM Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)[O-])cc2)c([O-])c1 ZINC001611171481 970922735 /nfs/dbraw/zinc/92/27/35/970922735.db2.gz NKORGQKELPIKCH-LBPRGKRZSA-N -1 3 285.343 3.250 20 10 CGCDHM C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594352552 999335140 /nfs/dbraw/zinc/33/51/40/999335140.db2.gz IQPXTYKNBSZHQM-NTZNESFSSA-N -1 3 277.364 3.320 20 10 CGCDHM Cc1ccc(C(=O)N2CCc3cc(C)c(C)cc32)c([O-])c1O ZINC000286896702 371569582 /nfs/dbraw/zinc/56/95/82/371569582.db2.gz JLFFGEDKOUQUCJ-UHFFFAOYSA-N -1 3 297.354 3.226 20 10 CGCDHM Cc1ccc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)c([O-])c1O ZINC000294903797 372678446 /nfs/dbraw/zinc/67/84/46/372678446.db2.gz VRXRXMXGYCMXEQ-CHWSQXEVSA-N -1 3 289.375 3.057 20 10 CGCDHM [O-]c1c(Cl)cccc1CN(CCO)Cc1ccccc1 ZINC000183465500 374418279 /nfs/dbraw/zinc/41/82/79/374418279.db2.gz XJEYDZRSYGKXSM-UHFFFAOYSA-N -1 3 291.778 3.040 20 10 CGCDHM CCCN(Cc1c(Cl)cnn1C)Cc1ccccc1[O-] ZINC000187087274 374967935 /nfs/dbraw/zinc/96/79/35/374967935.db2.gz SYAXBPPYGVCHLX-UHFFFAOYSA-N -1 3 293.798 3.191 20 10 CGCDHM CN(CCc1ccncc1)Cc1c([O-])cccc1Cl ZINC000273430552 378746503 /nfs/dbraw/zinc/74/65/03/378746503.db2.gz SXGHNBIJXRJMCP-UHFFFAOYSA-N -1 3 276.767 3.115 20 10 CGCDHM CC(C)c1nnc([C@@H](C)N[C@H](C)c2ccc(F)cc2[O-])[nH]1 ZINC000273451640 378748063 /nfs/dbraw/zinc/74/80/63/378748063.db2.gz GCHFILSEWQVDQD-NXEZZACHSA-N -1 3 292.358 3.185 20 10 CGCDHM CCn1cc(CN[C@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000273451860 378748358 /nfs/dbraw/zinc/74/83/58/378748358.db2.gz GGGHNVICCKAJLL-SNVBAGLBSA-N -1 3 279.771 3.113 20 10 CGCDHM Cc1ccc(C(=O)N(C)[C@@H](C)C2CCCCC2)c([O-])c1O ZINC000282468243 379927034 /nfs/dbraw/zinc/92/70/34/379927034.db2.gz KMXMIYXNGBASKC-LBPRGKRZSA-N -1 3 291.391 3.447 20 10 CGCDHM CC[C@@H](Nc1cnn(CC)c1)c1ccc(F)cc1[O-] ZINC000286172556 380171455 /nfs/dbraw/zinc/17/14/55/380171455.db2.gz PYHVGVCICMFHHP-CYBMUJFWSA-N -1 3 263.316 3.311 20 10 CGCDHM CCCOc1ccc(CN(C)Cc2cscn2)c([O-])c1 ZINC000120248183 392400255 /nfs/dbraw/zinc/40/02/55/392400255.db2.gz DTKIWAHOFYOEGC-UHFFFAOYSA-N -1 3 292.404 3.270 20 10 CGCDHM CCN(Cc1cccs1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000177669303 392665034 /nfs/dbraw/zinc/66/50/34/392665034.db2.gz JJMLNOVERVPMOD-UHFFFAOYSA-N -1 3 291.372 3.130 20 10 CGCDHM C[C@H]1Oc2ccccc2[C@H]1NCc1cccc(F)c1[O-] ZINC000368141839 267148836 /nfs/dbraw/zinc/14/88/36/267148836.db2.gz HAOAXZBIOIWCFP-BMIGLBTASA-N -1 3 273.307 3.143 20 10 CGCDHM C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(F)c(F)c1[O-] ZINC000276939656 328220487 /nfs/dbraw/zinc/22/04/87/328220487.db2.gz PITJATPSTCYGOB-PRHODGIISA-N -1 3 293.317 3.122 20 10 CGCDHM CCCOc1cncc(NCc2cc(F)ccc2[O-])c1 ZINC000529651821 333503976 /nfs/dbraw/zinc/50/39/76/333503976.db2.gz LIPQLNDXMLBFIV-UHFFFAOYSA-N -1 3 276.311 3.327 20 10 CGCDHM CCCN(Cc1ccccc1[O-])[C@H](C)c1nc(CC)no1 ZINC000076074342 521691099 /nfs/dbraw/zinc/69/10/99/521691099.db2.gz XRUHUHYOOQCRST-GFCCVEGCSA-N -1 3 289.379 3.311 20 10 CGCDHM C[C@H]1CN(Cc2cccc(F)c2[O-])CCC1(F)F ZINC000291564674 524629800 /nfs/dbraw/zinc/62/98/00/524629800.db2.gz NIHQPZHRMSTTOP-VIFPVBQESA-N -1 3 259.271 3.008 20 10 CGCDHM O=C(Nc1ccc2ccccc2n1)c1cc([O-])cs1 ZINC000731864350 572430219 /nfs/dbraw/zinc/43/02/19/572430219.db2.gz RARZXQPJWJEUEI-UHFFFAOYSA-N -1 3 270.313 3.254 20 10 CGCDHM O=C(NC1CCCCCCC1)c1cc([O-])cs1 ZINC000731864590 572430412 /nfs/dbraw/zinc/43/04/12/572430412.db2.gz YSAWFSBEUYMJID-UHFFFAOYSA-N -1 3 253.367 3.296 20 10 CGCDHM CCOc1cccc([C@@H](C)NC(=O)c2cc([O-])cs2)c1 ZINC000731871259 572431131 /nfs/dbraw/zinc/43/11/31/572431131.db2.gz IEHIGZHZKFHQBX-SNVBAGLBSA-N -1 3 291.372 3.343 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC[C@H]1Cc1ccccc1 ZINC000732265657 572454930 /nfs/dbraw/zinc/45/49/30/572454930.db2.gz FFLMDJZXBWBPES-ZDUSSCGKSA-N -1 3 287.384 3.301 20 10 CGCDHM O=C(NCCCCc1ccccc1)c1cc([O-])cs1 ZINC000732261228 572455002 /nfs/dbraw/zinc/45/50/02/572455002.db2.gz FQWWQZNAGFVZML-UHFFFAOYSA-N -1 3 275.373 3.206 20 10 CGCDHM C[C@@H](CNC(=O)c1cc([O-])cs1)c1ccc(F)cc1 ZINC000732277823 572457094 /nfs/dbraw/zinc/45/70/94/572457094.db2.gz PURRBHIZNMZGMB-VIFPVBQESA-N -1 3 279.336 3.126 20 10 CGCDHM O=C(NCCc1ccccc1Cl)c1cc([O-])cs1 ZINC000732279718 572458230 /nfs/dbraw/zinc/45/82/30/572458230.db2.gz NUFZUGVCBOFQAK-UHFFFAOYSA-N -1 3 281.764 3.080 20 10 CGCDHM Cc1ccc(CN(C)C(=O)c2cc([O-])cs2)s1 ZINC000732285322 572458371 /nfs/dbraw/zinc/45/83/71/572458371.db2.gz BEVRRNCKVWSFTM-UHFFFAOYSA-N -1 3 267.375 3.096 20 10 CGCDHM Cn1nc(CC(C)(C)C)cc1NC(=O)c1cc([O-])cs1 ZINC000732290618 572458803 /nfs/dbraw/zinc/45/88/03/572458803.db2.gz UOLODYKKSPYRMH-UHFFFAOYSA-N -1 3 293.392 3.028 20 10 CGCDHM CC[C@@H](NC(=O)c1cc([O-])cs1)c1nc(C)cs1 ZINC000732287476 572458919 /nfs/dbraw/zinc/45/89/19/572458919.db2.gz CKDGXTOMHLBOQH-SECBINFHSA-N -1 3 282.390 3.100 20 10 CGCDHM CC[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000740932349 572469387 /nfs/dbraw/zinc/46/93/87/572469387.db2.gz HTZAGBAYBVXDAA-NXEZZACHSA-N -1 3 253.367 3.152 20 10 CGCDHM CC(C)[C@@H]1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000734178791 572635814 /nfs/dbraw/zinc/63/58/14/572635814.db2.gz RXIIHWDSVGZUAE-LLVKDONJSA-N -1 3 267.394 3.352 20 10 CGCDHM CC1(C)CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000743643009 572675992 /nfs/dbraw/zinc/67/59/92/572675992.db2.gz XREHKRKJBDBUAI-UHFFFAOYSA-N -1 3 253.367 3.106 20 10 CGCDHM Cn1cccc1[C@@H]1CCCCN1C(=O)c1cc([O-])cs1 ZINC000746694523 572892802 /nfs/dbraw/zinc/89/28/02/572892802.db2.gz XNQCSORICWJCNY-ZDUSSCGKSA-N -1 3 290.388 3.160 20 10 CGCDHM O=C([O-])Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1[O-] ZINC000834263314 605603225 /nfs/dbraw/zinc/60/32/25/605603225.db2.gz SEXLIQSPRKJIIM-OAHLLOKOSA-N -1 3 298.342 3.259 20 10 CGCDHM C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000188097019 618720252 /nfs/dbraw/zinc/72/02/52/618720252.db2.gz ILOGQEGHUXAUDC-JTQLQIEISA-N -1 3 289.306 3.070 20 10 CGCDHM O=C(N[C@H]1CCCCC12CCCC2)c1cccc(O)c1[O-] ZINC000314092562 619214918 /nfs/dbraw/zinc/21/49/18/619214918.db2.gz GAVOCZHCMMQDDS-AWEZNQCLSA-N -1 3 289.375 3.331 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@H]1c1ccccn1 ZINC000893948011 619338748 /nfs/dbraw/zinc/33/87/48/619338748.db2.gz PODMFKRUEZLMLL-HNNXBMFYSA-N -1 3 290.313 3.403 20 10 CGCDHM C[C@H](c1ccncc1)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894448875 619541378 /nfs/dbraw/zinc/54/13/78/619541378.db2.gz KWYWPHYUQBDSHY-SNVBAGLBSA-N -1 3 278.302 3.258 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CC(Cc2ccsc2)C1 ZINC000895375673 619817418 /nfs/dbraw/zinc/81/74/18/619817418.db2.gz CRYLHTUIUYUOCW-UHFFFAOYSA-N -1 3 295.354 3.406 20 10 CGCDHM CC(C)c1ncc(CNCc2c([O-])cccc2F)s1 ZINC000896640620 620041788 /nfs/dbraw/zinc/04/17/88/620041788.db2.gz KCIDPTJLWMKGKO-UHFFFAOYSA-N -1 3 280.368 3.401 20 10 CGCDHM Cc1csc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756383300 626699382 /nfs/dbraw/zinc/69/93/82/626699382.db2.gz XJPVVRCMTWXWGY-QMMMGPOBSA-N -1 3 284.331 3.286 20 10 CGCDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])c1ccc(C)cc1 ZINC000780888229 628522348 /nfs/dbraw/zinc/52/23/48/628522348.db2.gz VRZOYHNNSDBTKJ-UHFFFAOYSA-N -1 3 285.343 3.381 20 10 CGCDHM CCCCC[C@H](NCc1cc(Cl)ccc1[O-])C(=O)OC ZINC000789574254 629145741 /nfs/dbraw/zinc/14/57/41/629145741.db2.gz CDDBYQRNEDNGIJ-ZDUSSCGKSA-N -1 3 299.798 3.257 20 10 CGCDHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccc(O)c1[O-] ZINC000790486690 629212928 /nfs/dbraw/zinc/21/29/28/629212928.db2.gz YVALBJFKUHZSPI-YNEHKIRRSA-N -1 3 289.375 3.187 20 10 CGCDHM CC(C)c1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000790939404 629241905 /nfs/dbraw/zinc/24/19/05/629241905.db2.gz BEBVNQGVQGIJBU-UHFFFAOYSA-N -1 3 285.343 3.151 20 10 CGCDHM Cc1ncc(CNCc2c([O-])ccc(Cl)c2F)s1 ZINC000790959499 629243561 /nfs/dbraw/zinc/24/35/61/629243561.db2.gz GUTCKLKODFIVEM-UHFFFAOYSA-N -1 3 286.759 3.239 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCCC[C@@H]1C(F)F ZINC000800533515 630291453 /nfs/dbraw/zinc/29/14/53/630291453.db2.gz POVGHXXOLBSJEJ-LLVKDONJSA-N -1 3 259.271 3.151 20 10 CGCDHM CC1(C)[C@H](O)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000812779562 631306548 /nfs/dbraw/zinc/30/65/48/631306548.db2.gz RNBURDNDWICZOI-LLVKDONJSA-N -1 3 290.190 3.044 20 10 CGCDHM Cc1ccoc1CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000813882570 631476429 /nfs/dbraw/zinc/47/64/29/631476429.db2.gz CPERANXIGIWIQO-VIFPVBQESA-N -1 3 267.275 3.423 20 10 CGCDHM Cc1cn2c(n1)CN(Cc1ccc3ccccc3c1[O-])CC2 ZINC000816566687 632014845 /nfs/dbraw/zinc/01/48/45/632014845.db2.gz CPNSWRMTSXLBRA-UHFFFAOYSA-N -1 3 293.370 3.066 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000816666666 632040491 /nfs/dbraw/zinc/04/04/91/632040491.db2.gz SROANKNXTXHFIH-HZPDHXFCSA-N -1 3 293.794 3.189 20 10 CGCDHM O=C(NC[C@H](c1ccccc1)C1CC1)c1cccc(O)c1[O-] ZINC000817089003 632077214 /nfs/dbraw/zinc/07/72/14/632077214.db2.gz PBJNMNBULCJDFA-OAHLLOKOSA-N -1 3 297.354 3.021 20 10 CGCDHM C[C@H](Nc1cnn2c1CCCC2)c1ccc(F)cc1[O-] ZINC000866459772 633145214 /nfs/dbraw/zinc/14/52/14/633145214.db2.gz BDQNBAVGJFNJBN-JTQLQIEISA-N -1 3 275.327 3.237 20 10 CGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Cl)s1 ZINC000126300304 634955515 /nfs/dbraw/zinc/95/55/15/634955515.db2.gz HZOTVZDOSWMYCL-SSDOTTSWSA-N -1 3 297.763 3.304 20 10 CGCDHM CC[C@H](N[C@H](C)c1ccn(C)n1)c1ccc(F)cc1[O-] ZINC000840816674 635057525 /nfs/dbraw/zinc/05/75/25/635057525.db2.gz XHPHARVPFZFABH-MFKMUULPSA-N -1 3 277.343 3.067 20 10 CGCDHM [O-]c1c(CN2CCC(c3ccon3)CC2)ccc(F)c1F ZINC000877638861 635126744 /nfs/dbraw/zinc/12/67/44/635126744.db2.gz QGCIGAFOOAJOCC-UHFFFAOYSA-N -1 3 294.301 3.038 20 10 CGCDHM C[C@H](NC1(C(F)F)CC1)c1ccc(Cl)cc1[O-] ZINC000841753864 635227741 /nfs/dbraw/zinc/22/77/41/635227741.db2.gz XPJOGXPMOBLWNH-ZETCQYMHSA-N -1 3 261.699 3.494 20 10 CGCDHM Cc1c(N[C@@H](C)c2ccc(Cl)cc2[O-])cnn1C ZINC000841755238 635228394 /nfs/dbraw/zinc/22/83/94/635228394.db2.gz XZYTWCHMKYDYJJ-QMMMGPOBSA-N -1 3 265.744 3.261 20 10 CGCDHM Cc1nccnc1[C@H](C)NCc1cc(Cl)cc(F)c1[O-] ZINC000877828443 635230685 /nfs/dbraw/zinc/23/06/85/635230685.db2.gz JRYGRRGMTSWOIX-VIFPVBQESA-N -1 3 295.745 3.134 20 10 CGCDHM [O-]c1ccc(Cl)cc1CNC1(c2ncccn2)CCC1 ZINC000883307111 636659777 /nfs/dbraw/zinc/65/97/77/636659777.db2.gz MHSIGBWWUZWIIQ-UHFFFAOYSA-N -1 3 289.766 3.005 20 10 CGCDHM C[C@@H](N[C@@H](C)c1cc(Br)ccc1[O-])C(F)F ZINC000883399209 636739817 /nfs/dbraw/zinc/73/98/17/636739817.db2.gz HJWKOZQYYZXMEB-NKWVEPMBSA-N -1 3 294.139 3.459 20 10 CGCDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CC(C)(C)O1 ZINC000133102566 636872786 /nfs/dbraw/zinc/87/27/86/636872786.db2.gz VHVHKZBAHPSMGR-JTQLQIEISA-N -1 3 269.772 3.045 20 10 CGCDHM C[C@@H](NCc1cccc2c1OCO2)c1c([O-])cccc1F ZINC000886508565 637545840 /nfs/dbraw/zinc/54/58/40/637545840.db2.gz FMPCUPIADIHCIF-SNVBAGLBSA-N -1 3 289.306 3.111 20 10 CGCDHM CCn1ncc(N[C@@H](C)c2c([O-])cccc2F)c1C ZINC000886650500 637629322 /nfs/dbraw/zinc/62/93/22/637629322.db2.gz XYSVBOVZQLDAGC-VIFPVBQESA-N -1 3 263.316 3.229 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ccns1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858578385 638997110 /nfs/dbraw/zinc/99/71/10/638997110.db2.gz VBPXGIAIKBLJGS-BDAKNGLRSA-N -1 3 293.348 3.169 20 10 CGCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])c2cccnc12 ZINC000188120197 640120732 /nfs/dbraw/zinc/12/07/32/640120732.db2.gz GUFADBQUHKUPTJ-UHFFFAOYSA-N -1 3 294.310 3.207 20 10 CGCDHM CC[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])[C@H](CC)CO1 ZINC000708422319 799988623 /nfs/dbraw/zinc/98/86/23/799988623.db2.gz MJYCEPUHURNHCO-CHWSQXEVSA-N -1 3 285.334 3.060 20 10 CGCDHM Cc1ccc(-c2nnc(-c3cccc(O)c3[O-])o2)cc1C ZINC001256531958 806910944 /nfs/dbraw/zinc/91/09/44/806910944.db2.gz WLLUCGXWGVPHJF-UHFFFAOYSA-N -1 3 282.299 3.432 20 10 CGCDHM [O-]c1c(CN2CC3(C2)CCCC3)ccc(F)c1F ZINC001119244654 802637999 /nfs/dbraw/zinc/63/79/99/802637999.db2.gz HZMQQNHUGQTKBF-UHFFFAOYSA-N -1 3 253.292 3.046 20 10 CGCDHM [O-]c1c(F)ccc(F)c1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001139680719 804250847 /nfs/dbraw/zinc/25/08/47/804250847.db2.gz AKRCCUYCDSDUAW-DTORHVGOSA-N -1 3 289.272 3.148 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCc2occc2C1 ZINC001140341822 804420543 /nfs/dbraw/zinc/42/05/43/804420543.db2.gz IZQASRMTWZVXKH-UHFFFAOYSA-N -1 3 263.724 3.197 20 10 CGCDHM C[C@@H]1CCN(Cc2ccc(Cl)cc2[O-])C[C@H]1F ZINC001140462289 804440893 /nfs/dbraw/zinc/44/08/93/804440893.db2.gz DOJVGXSFTZEVAG-BXKDBHETSA-N -1 3 257.736 3.226 20 10 CGCDHM CCN(Cc1ccncc1)Cc1cc(F)c(F)cc1[O-] ZINC001142502729 804726823 /nfs/dbraw/zinc/72/68/23/804726823.db2.gz VVFXTIGDDIQDQO-UHFFFAOYSA-N -1 3 278.302 3.088 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@H]1c1ccncc1 ZINC001142520472 804729989 /nfs/dbraw/zinc/72/99/89/804729989.db2.gz KCTOUYWOUCEQIH-HNNXBMFYSA-N -1 3 290.313 3.403 20 10 CGCDHM CC1(C)CN(Cc2cc(F)c(F)cc2[O-])CC(C)(C)O1 ZINC001142527204 804734105 /nfs/dbraw/zinc/73/41/05/804734105.db2.gz OGBPHNVEEHXOEM-UHFFFAOYSA-N -1 3 285.334 3.060 20 10 CGCDHM Cc1[nH]c2c(cccc2NC(=O)c2cccc(O)c2[O-])c1C ZINC001148218557 805168450 /nfs/dbraw/zinc/16/84/50/805168450.db2.gz FLVMTYAMYBSWET-UHFFFAOYSA-N -1 3 296.326 3.448 20 10 CGCDHM CC(C)Cc1ccccc1CNC(=O)c1cccc(O)c1[O-] ZINC001301303616 809582108 /nfs/dbraw/zinc/58/21/08/809582108.db2.gz RPCLRISWPNKFEI-UHFFFAOYSA-N -1 3 299.370 3.226 20 10 CGCDHM CC[C@H]1CO[C@@H](C)CN1Cc1cc(Cl)c(C)cc1[O-] ZINC001180531754 810008893 /nfs/dbraw/zinc/00/88/93/810008893.db2.gz JQJXVFLBBDGIFR-AAEUAGOBSA-N -1 3 283.799 3.353 20 10 CGCDHM CN(C)c1ccc(NCc2cc(F)c(F)cc2[O-])cc1F ZINC001207242646 813519881 /nfs/dbraw/zinc/51/98/81/813519881.db2.gz FAHFFECCWGXTAT-UHFFFAOYSA-N -1 3 296.292 3.488 20 10 CGCDHM C[C@H]1CCC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC001224857487 816896227 /nfs/dbraw/zinc/89/62/27/816896227.db2.gz JIJIQTOSRRQPOI-RYUDHWBXSA-N -1 3 294.370 3.157 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC3(C2)CCCCC3)c1 ZINC001231569393 818123748 /nfs/dbraw/zinc/12/37/48/818123748.db2.gz XRHXIFYALHQGQH-UHFFFAOYSA-N -1 3 289.375 3.247 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC001231569393 818123750 /nfs/dbraw/zinc/12/37/50/818123750.db2.gz XRHXIFYALHQGQH-UHFFFAOYSA-N -1 3 289.375 3.247 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001233332173 818586177 /nfs/dbraw/zinc/58/61/77/818586177.db2.gz BFDZXOOSIXOJRO-DTORHVGOSA-N -1 3 289.272 3.148 20 10 CGCDHM C[C@@H]1CCC[C@@H](NC(=O)NCc2c([O-])cccc2F)CC1 ZINC001234242136 818813322 /nfs/dbraw/zinc/81/33/22/818813322.db2.gz XRSKEJYRILKOFK-VXGBXAGGSA-N -1 3 294.370 3.299 20 10 CGCDHM CO[C@@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])[C@@H](C)C1 ZINC001237801870 819844137 /nfs/dbraw/zinc/84/41/37/819844137.db2.gz JFEUGGFSRWZVPA-JOYOIKCWSA-N -1 3 287.762 3.184 20 10 CGCDHM CCCC[C@H](NCc1cc(Cl)c(C)cc1[O-])C(=O)OC ZINC001308670143 928537539 /nfs/dbraw/zinc/53/75/39/928537539.db2.gz NPQQMFKKCVUQQZ-ZDUSSCGKSA-N -1 3 299.798 3.175 20 10 CGCDHM [O-]c1cccc(F)c1CNc1ncnc2ccccc21 ZINC001307214466 932779202 /nfs/dbraw/zinc/77/92/02/932779202.db2.gz GAJGUTQIQWRTBL-UHFFFAOYSA-N -1 3 269.279 3.087 20 10 CGCDHM CC[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC001468510641 937728918 /nfs/dbraw/zinc/72/89/18/937728918.db2.gz VZXIDGWYRIRJBT-NEPJUHHUSA-N -1 3 277.364 3.044 20 10 CGCDHM CC(C)C[N@H+](CC(=O)[O-])Cc1c([O-])ccc2ccccc21 ZINC000086777972 957986086 /nfs/dbraw/zinc/98/60/86/957986086.db2.gz ACKCMTUVIXIHQB-UHFFFAOYSA-N -1 3 287.359 3.088 20 10 CGCDHM CC(C)C[N@@H+](CC(=O)[O-])Cc1c([O-])ccc2ccccc21 ZINC000086777972 957986097 /nfs/dbraw/zinc/98/60/97/957986097.db2.gz ACKCMTUVIXIHQB-UHFFFAOYSA-N -1 3 287.359 3.088 20 10 CGCDHM C[C@H]([NH2+]Cc1ccsc1C(=O)[O-])c1ccccc1[O-] ZINC001599901905 984849578 /nfs/dbraw/zinc/84/95/78/984849578.db2.gz VAKVLCZXLBXJBL-VIFPVBQESA-N -1 3 277.345 3.003 20 10 CGCDHM C[C@H]([NH2+]C[C@@H]1CCCCS1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257760 994535377 /nfs/dbraw/zinc/53/53/77/994535377.db2.gz SWWAOCCCNCCWIP-JQWIXIFHSA-N -1 3 295.404 3.027 20 10 CGCDHM CCCCN(CCCC)C(=O)c1cccc(O)c1[O-] ZINC000126241547 260346420 /nfs/dbraw/zinc/34/64/20/260346420.db2.gz VTXUTKQGTYKMAH-UHFFFAOYSA-N -1 3 265.353 3.140 20 10 CGCDHM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000273438559 299344895 /nfs/dbraw/zinc/34/48/95/299344895.db2.gz XVXAVERVYPMJRW-QWRGUYRKSA-N -1 3 287.319 3.107 20 10 CGCDHM Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC000078981593 369958755 /nfs/dbraw/zinc/95/87/55/369958755.db2.gz KTMZGZVSHDDHEV-UHFFFAOYSA-N -1 3 298.386 3.039 20 10 CGCDHM C[C@H](N[C@@H](C)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000287363267 371645338 /nfs/dbraw/zinc/64/53/38/371645338.db2.gz OGACGYSUWBUWPO-BQBZGAKWSA-N -1 3 251.223 3.133 20 10 CGCDHM C[C@@H](N[C@@H](C)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000287363275 371645709 /nfs/dbraw/zinc/64/57/09/371645709.db2.gz OGACGYSUWBUWPO-RQJHMYQMSA-N -1 3 251.223 3.133 20 10 CGCDHM C[C@@H](NCc1cc(Br)ccc1[O-])C(F)(F)F ZINC000288525642 371738933 /nfs/dbraw/zinc/73/89/33/371738933.db2.gz VDXLPTOUAPHJSP-ZCFIWIBFSA-N -1 3 298.102 3.195 20 10 CGCDHM COc1cc(NCc2cc(F)ccc2[O-])cc(OC)c1C ZINC000293774852 372477139 /nfs/dbraw/zinc/47/71/39/372477139.db2.gz BLJOTSKUOFUJRJ-UHFFFAOYSA-N -1 3 291.322 3.469 20 10 CGCDHM CCCCN(Cc1cnns1)Cc1ccccc1[O-] ZINC000295482488 372798268 /nfs/dbraw/zinc/79/82/68/372798268.db2.gz YUUMWOXRMNDKMK-UHFFFAOYSA-N -1 3 277.393 3.046 20 10 CGCDHM Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187699552 375075634 /nfs/dbraw/zinc/07/56/34/375075634.db2.gz NXUGYOUMSTWUKF-RKDXNWHRSA-N -1 3 295.333 3.124 20 10 CGCDHM Cc1c([C@H](C)N[C@H](C)c2ccc(F)c(F)c2[O-])cnn1C ZINC000191201141 375594372 /nfs/dbraw/zinc/59/43/72/375594372.db2.gz HFDMQROSBACTPX-BDAKNGLRSA-N -1 3 295.333 3.124 20 10 CGCDHM CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193138541 375832608 /nfs/dbraw/zinc/83/26/08/375832608.db2.gz KHCBZTPEMAEGAQ-AAEUAGOBSA-N -1 3 277.364 3.139 20 10 CGCDHM COc1ccc2c(c1)CN(Cc1cccc(F)c1[O-])CC2 ZINC000272231887 378591487 /nfs/dbraw/zinc/59/14/87/378591487.db2.gz FAAJQXPHDBLILN-UHFFFAOYSA-N -1 3 287.334 3.098 20 10 CGCDHM C[C@H](c1cccc(O)c1)N(C)Cc1cccc(F)c1[O-] ZINC000272240535 378593208 /nfs/dbraw/zinc/59/32/08/378593208.db2.gz GMRXMTNWFZFHDS-LLVKDONJSA-N -1 3 275.323 3.430 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000272335025 378615778 /nfs/dbraw/zinc/61/57/78/378615778.db2.gz XHZRWWLDNXHMAE-AWEZNQCLSA-N -1 3 260.312 3.197 20 10 CGCDHM C[C@@H](N[C@H](C)c1ccc2ccccc2c1[O-])c1nncn1C ZINC000273598063 378755902 /nfs/dbraw/zinc/75/59/02/378755902.db2.gz RCQSLIVYBHOYOI-VXGBXAGGSA-N -1 3 296.374 3.086 20 10 CGCDHM COC(=O)CN(CCC(C)C)Cc1cc(Cl)ccc1[O-] ZINC000731845228 572429161 /nfs/dbraw/zinc/42/91/61/572429161.db2.gz SGFLVLXCCJSJKL-UHFFFAOYSA-N -1 3 299.798 3.067 20 10 CGCDHM CCc1nc([C@@H]2CCCCN2Cc2ccccc2[O-])no1 ZINC000376166767 379525370 /nfs/dbraw/zinc/52/53/70/379525370.db2.gz NWYBQNSHQKMVJM-ZDUSSCGKSA-N -1 3 287.363 3.065 20 10 CGCDHM CCCCN(Cc1ccccc1[O-])[C@@H](C)c1nnc(C)o1 ZINC000282472598 379926659 /nfs/dbraw/zinc/92/66/59/379926659.db2.gz NYZYJDQDKMQMRC-LBPRGKRZSA-N -1 3 289.379 3.447 20 10 CGCDHM C[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cs2)[C@H]1C ZINC000732260468 572455131 /nfs/dbraw/zinc/45/51/31/572455131.db2.gz UJEJVHLTRRXYKY-WCABBAIRSA-N -1 3 253.367 3.008 20 10 CGCDHM Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)c([O-])c1O ZINC000177668077 392664966 /nfs/dbraw/zinc/66/49/66/392664966.db2.gz RAOWZOIDRDBWCX-OAHLLOKOSA-N -1 3 297.354 3.166 20 10 CGCDHM C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(F)c(F)c1[O-] ZINC000276939659 328220483 /nfs/dbraw/zinc/22/04/83/328220483.db2.gz PITJATPSTCYGOB-QPUJVOFHSA-N -1 3 293.317 3.122 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ccccc1 ZINC000187206459 329354962 /nfs/dbraw/zinc/35/49/62/329354962.db2.gz PXKFSFMXUVVCLB-CQSZACIVSA-N -1 3 283.327 3.075 20 10 CGCDHM O=C(Nc1nc(C2CCC2)cs1)c1cccc(O)c1[O-] ZINC000278243380 527506064 /nfs/dbraw/zinc/50/60/64/527506064.db2.gz WLEMTQOOCNKTEY-UHFFFAOYSA-N -1 3 290.344 3.074 20 10 CGCDHM COc1cc(C)c(NC(=O)c2cc([O-])cs2)cc1OC ZINC000731864613 572429996 /nfs/dbraw/zinc/42/99/96/572429996.db2.gz AAEHERGWXMPLDP-UHFFFAOYSA-N -1 3 293.344 3.032 20 10 CGCDHM C[C@@H]1CC(NC(=O)c2cc([O-])cs2)C[C@@H](C)C1 ZINC000740142147 572433832 /nfs/dbraw/zinc/43/38/32/572433832.db2.gz JHYXPGDPRCBCDF-IUCAKERBSA-N -1 3 253.367 3.008 20 10 CGCDHM CC(C)C[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000732281435 572458132 /nfs/dbraw/zinc/45/81/32/572458132.db2.gz HUOPZSBERVYHKR-SNVBAGLBSA-N -1 3 253.367 3.104 20 10 CGCDHM Cc1ccc(C(C)(C)CNC(=O)c2cc([O-])cs2)cc1 ZINC000732286860 572459274 /nfs/dbraw/zinc/45/92/74/572459274.db2.gz ZRNGALNDDUJLEQ-UHFFFAOYSA-N -1 3 289.400 3.470 20 10 CGCDHM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])cs2)[C@H](C)C1 ZINC000733363621 572559516 /nfs/dbraw/zinc/55/95/16/572559516.db2.gz AGAXQQYCOZORGR-KKZNHRDASA-N -1 3 253.367 3.008 20 10 CGCDHM Cc1cccc(C(=O)NCc2ccc(N(C)C)cc2C)c1[O-] ZINC000734403075 572652127 /nfs/dbraw/zinc/65/21/27/572652127.db2.gz UXYIBOAFKJDYGF-UHFFFAOYSA-N -1 3 298.386 3.005 20 10 CGCDHM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1cc([O-])cs1 ZINC000748371590 572975236 /nfs/dbraw/zinc/97/52/36/572975236.db2.gz WKNBVBZYYCTASM-JQWIXIFHSA-N -1 3 267.394 3.495 20 10 CGCDHM CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cc([O-])cs1 ZINC000748371592 572975257 /nfs/dbraw/zinc/97/52/57/572975257.db2.gz WKNBVBZYYCTASM-ZYHUDNBSSA-N -1 3 267.394 3.495 20 10 CGCDHM CCCCO[C@H]1C[C@@H](NC(=O)c2cc([O-])cs2)C1(C)C ZINC000748860604 572986951 /nfs/dbraw/zinc/98/69/51/572986951.db2.gz SLBMZXMDEWGIEM-OLZOCXBDSA-N -1 3 297.420 3.167 20 10 CGCDHM C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000286197438 617626986 /nfs/dbraw/zinc/62/69/86/617626986.db2.gz BLZKYGBRJSOPTD-WFASDCNBSA-N -1 3 297.354 3.321 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@@H]1c1cccnc1 ZINC000894762316 619629395 /nfs/dbraw/zinc/62/93/95/619629395.db2.gz VRWXJUGAVGWRRL-OAHLLOKOSA-N -1 3 290.313 3.403 20 10 CGCDHM C[C@H](N[C@@H](c1ncccn1)C1CC1)c1ccc(F)cc1[O-] ZINC000903325942 621699971 /nfs/dbraw/zinc/69/99/71/621699971.db2.gz JIBDLIXCVOAVPN-ZUZCIYMTSA-N -1 3 287.338 3.123 20 10 CGCDHM CC[C@H](NCc1cnc(C)o1)c1ccc(F)cc1[O-] ZINC000840795172 626252523 /nfs/dbraw/zinc/25/25/23/626252523.db2.gz VIVRCCFAFKJMPH-ZDUSSCGKSA-N -1 3 264.300 3.069 20 10 CGCDHM CN(Cc1cccc(O)c1)Cc1c([O-])cccc1Cl ZINC000771934503 627746243 /nfs/dbraw/zinc/74/62/43/627746243.db2.gz ALMPDLULESYEND-UHFFFAOYSA-N -1 3 277.751 3.383 20 10 CGCDHM C[C@H](NCc1cc(Cl)cc(F)c1[O-])c1ccccn1 ZINC000776071646 628161694 /nfs/dbraw/zinc/16/16/94/628161694.db2.gz ZEZRCBJITIOIPD-VIFPVBQESA-N -1 3 280.730 3.431 20 10 CGCDHM CCOc1cccc(NCc2c([O-])cccc2Cl)n1 ZINC000777520223 628277940 /nfs/dbraw/zinc/27/79/40/628277940.db2.gz NCOGTAUAZDNNSH-UHFFFAOYSA-N -1 3 278.739 3.451 20 10 CGCDHM CC(C)C1CN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000793190067 629426171 /nfs/dbraw/zinc/42/61/71/629426171.db2.gz RIQPYZUWZKWXEO-UHFFFAOYSA-N -1 3 257.736 3.273 20 10 CGCDHM Cn1cccc1[C@@H]1CCCN1Cc1ccc(F)c(F)c1[O-] ZINC000876545159 634853798 /nfs/dbraw/zinc/85/37/98/634853798.db2.gz BQRBSXNCBOOEHX-AWEZNQCLSA-N -1 3 292.329 3.346 20 10 CGCDHM CCn1ccnc1[C@@H](C)NCc1c([O-])cccc1Cl ZINC000825005345 633316645 /nfs/dbraw/zinc/31/66/45/633316645.db2.gz HXQGHKRGRBAXQH-SNVBAGLBSA-N -1 3 279.771 3.113 20 10 CGCDHM C[C@@H]1C[C@@H](NCc2c([O-])ccc(Cl)c2F)c2nccn21 ZINC000825017478 633318850 /nfs/dbraw/zinc/31/88/50/633318850.db2.gz SLISGXKKROZXJU-LDYMZIIASA-N -1 3 295.745 3.177 20 10 CGCDHM Cc1nnc([C@@H](C)NCc2cc(Cl)c(C)cc2[O-])s1 ZINC000825515257 633361399 /nfs/dbraw/zinc/36/13/99/633361399.db2.gz ZOXIMTXRGHSPDH-MRVPVSSYSA-N -1 3 297.811 3.365 20 10 CGCDHM Cc1cc([O-])c(CN2CC(C(F)F)C2)cc1Cl ZINC000826113923 633406103 /nfs/dbraw/zinc/40/61/03/633406103.db2.gz RAIOOZXENRJKIK-UHFFFAOYSA-N -1 3 261.699 3.051 20 10 CGCDHM [O-]c1c(F)c(F)ccc1CN1CC(Cc2ccsc2)C1 ZINC000877646777 635129785 /nfs/dbraw/zinc/12/97/85/635129785.db2.gz NUWXPFCEMZTGGS-UHFFFAOYSA-N -1 3 295.354 3.406 20 10 CGCDHM CCc1nc(CN[C@@H](C)c2ccc(Cl)cc2[O-])co1 ZINC000841759305 635233518 /nfs/dbraw/zinc/23/35/18/635233518.db2.gz YJUPMSHDWGIIDO-VIFPVBQESA-N -1 3 280.755 3.447 20 10 CGCDHM CC[C@H]1CO[C@@H](C)CN1Cc1c([O-])cccc1Cl ZINC000131501719 636670097 /nfs/dbraw/zinc/67/00/97/636670097.db2.gz JNBRIRGVTBBWHP-QWRGUYRKSA-N -1 3 269.772 3.045 20 10 CGCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CC(C)(C)O1 ZINC000133102335 636872887 /nfs/dbraw/zinc/87/28/87/636872887.db2.gz VHVHKZBAHPSMGR-SNVBAGLBSA-N -1 3 269.772 3.045 20 10 CGCDHM CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CCS1 ZINC000135835393 637190346 /nfs/dbraw/zinc/19/03/46/637190346.db2.gz ADCPILFIDFVIIP-CYBMUJFWSA-N -1 3 297.395 3.061 20 10 CGCDHM C[C@H](NCc1cc(C2CC2)no1)c1c([O-])cccc1F ZINC000886685879 637649954 /nfs/dbraw/zinc/64/99/54/637649954.db2.gz FPCWXXUXNILRQN-VIFPVBQESA-N -1 3 276.311 3.248 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC(CC2CC2)C1 ZINC000857066525 638448836 /nfs/dbraw/zinc/44/88/36/638448836.db2.gz MVTHGDYQNKPALK-UHFFFAOYSA-N -1 3 269.747 3.417 20 10 CGCDHM Cc1cc(C)c(CC(=O)NCc2c([O-])cccc2F)s1 ZINC000928709854 638889821 /nfs/dbraw/zinc/88/98/21/638889821.db2.gz HDJPGFJUBXNHDF-UHFFFAOYSA-N -1 3 293.363 3.069 20 10 CGCDHM CCc1ccc(-c2nnc(-c3cccc(O)c3[O-])o2)cc1 ZINC001252953416 806139986 /nfs/dbraw/zinc/13/99/86/806139986.db2.gz HJZJIRBXZFWYLK-UHFFFAOYSA-N -1 3 282.299 3.377 20 10 CGCDHM COC[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000091862311 798955485 /nfs/dbraw/zinc/95/54/85/798955485.db2.gz OFASSZNOXWRUIA-NSHDSACASA-N -1 3 290.190 3.310 20 10 CGCDHM Cc1cc(F)c(CNCc2cccc(F)c2[O-])c(F)c1 ZINC001183958150 810171635 /nfs/dbraw/zinc/17/16/35/810171635.db2.gz GUCJNAGFTSTCEG-UHFFFAOYSA-N -1 3 281.277 3.408 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H](C(F)F)C1 ZINC001142524639 804731911 /nfs/dbraw/zinc/73/19/11/804731911.db2.gz FFTKVMIGZIABHC-MRVPVSSYSA-N -1 3 277.261 3.148 20 10 CGCDHM O=C(Nc1cc(Cl)cc(Cl)n1)c1cccc(O)c1[O-] ZINC001148212693 805168495 /nfs/dbraw/zinc/16/84/95/805168495.db2.gz GDBHFKGTZIBKTI-UHFFFAOYSA-N -1 3 299.113 3.052 20 10 CGCDHM O=C(NCC(C1CCC1)C1CCC1)c1cccc(O)c1[O-] ZINC001148727418 805206700 /nfs/dbraw/zinc/20/67/00/805206700.db2.gz RADZJUODCUVICO-UHFFFAOYSA-N -1 3 289.375 3.044 20 10 CGCDHM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC001292766451 809436909 /nfs/dbraw/zinc/43/69/09/809436909.db2.gz MACMENULSIHFGP-TZMCWYRMSA-N -1 3 291.391 3.433 20 10 CGCDHM Cc1ccc(C2(NC(=O)c3cccc(O)c3[O-])CCC2)cc1 ZINC001300278811 809565482 /nfs/dbraw/zinc/56/54/82/809565482.db2.gz OWLBHPLWMWRHNG-UHFFFAOYSA-N -1 3 297.354 3.215 20 10 CGCDHM C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@H](C2CC2)O1 ZINC001181373936 810049043 /nfs/dbraw/zinc/04/90/43/810049043.db2.gz UUGUGVHLVIILAC-BMIGLBTASA-N -1 3 281.783 3.045 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CNCc1nc2ccccc2o1 ZINC001183910572 810168064 /nfs/dbraw/zinc/16/80/64/810168064.db2.gz ZHMRWCLCWDASCO-UHFFFAOYSA-N -1 3 290.269 3.101 20 10 CGCDHM Cc1cc(C)cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1 ZINC001215325314 815506860 /nfs/dbraw/zinc/50/68/60/815506860.db2.gz LPBXMAFGHIJGTD-UHFFFAOYSA-N -1 3 298.298 3.137 20 10 CGCDHM COc1ccc(N(C)Cc2ccc([O-])c(F)c2)cc1F ZINC001205359580 812970768 /nfs/dbraw/zinc/97/07/68/812970768.db2.gz AXJJQEBQKBGNEG-UHFFFAOYSA-N -1 3 279.286 3.315 20 10 CGCDHM C[C@H]1C[C@@H](CF)N(Cc2cccc(Cl)c2[O-])C1 ZINC001231910647 818208804 /nfs/dbraw/zinc/20/88/04/818208804.db2.gz PRVLEDCVFLOKRN-ONGXEEELSA-N -1 3 257.736 3.226 20 10 CGCDHM [O-]c1cccc(CN2CCc3cccc(O)c3C2)c1Cl ZINC001232788554 818441706 /nfs/dbraw/zinc/44/17/06/818441706.db2.gz BUEUSQSFYCNMBV-UHFFFAOYSA-N -1 3 289.762 3.310 20 10 CGCDHM CCN(Cc1cccnc1)Cc1c([O-])ccc(F)c1F ZINC001233334584 818584261 /nfs/dbraw/zinc/58/42/61/818584261.db2.gz MMJCMPUIAQLGRD-UHFFFAOYSA-N -1 3 278.302 3.088 20 10 CGCDHM COc1cccc(CN(C)Cc2c([O-])ccc(F)c2F)c1 ZINC001233334715 818585286 /nfs/dbraw/zinc/58/52/86/818585286.db2.gz QPFRPSICHVIPGF-UHFFFAOYSA-N -1 3 293.313 3.311 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@H](C(F)F)C1 ZINC001233335447 818587474 /nfs/dbraw/zinc/58/74/74/818587474.db2.gz VQUGOVKTTWSFCO-QMMMGPOBSA-N -1 3 277.261 3.148 20 10 CGCDHM CN(Cc1cncs1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237940868 819889471 /nfs/dbraw/zinc/88/94/71/819889471.db2.gz ONXSAWYJGWJWAH-UHFFFAOYSA-N -1 3 286.759 3.273 20 10 CGCDHM CC1(C)CN(Cc2cc(F)c(F)cc2[O-])[C@H]1[C@@H]1CCCO1 ZINC001308800634 933179775 /nfs/dbraw/zinc/17/97/75/933179775.db2.gz FDYVAQKKISFCOJ-GJZGRUSLSA-N -1 3 297.345 3.060 20 10 CGCDHM Cc1ccc(C(=O)Nc2ccc(F)c(F)c2C)c([O-])c1O ZINC001468943154 937733528 /nfs/dbraw/zinc/73/35/28/937733528.db2.gz KMMFYQYKYMKXDG-UHFFFAOYSA-N -1 3 293.269 3.245 20 10 CGCDHM Cc1ccoc1C(=O)[N-]c1c2nonc2ccc1Cl ZINC001322264355 934267405 /nfs/dbraw/zinc/26/74/05/934267405.db2.gz SISBSDZJKIDSEX-UHFFFAOYSA-N -1 3 277.667 3.030 20 10 CGCDHM Cc1ccc(F)cc1NC(=O)NCc1c([O-])cccc1F ZINC001475907441 937885813 /nfs/dbraw/zinc/88/58/13/937885813.db2.gz MICJLZUJMJJMRG-UHFFFAOYSA-N -1 3 292.285 3.301 20 10 CGCDHM Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(O)c2[O-])c1 ZINC001547455312 938151209 /nfs/dbraw/zinc/15/12/09/938151209.db2.gz CCVUWBPOAZJRDM-GFCCVEGCSA-N -1 3 285.343 3.206 20 10 CGCDHM C[C@H]1CCCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC001563851717 938305522 /nfs/dbraw/zinc/30/55/22/938305522.db2.gz ANGIQVBCMYSITJ-NWDGAFQWSA-N -1 3 294.370 3.157 20 10 CGCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1F ZINC001583537911 962821823 /nfs/dbraw/zinc/82/18/23/962821823.db2.gz WPFLPFBZHWKDLF-ZDUSSCGKSA-N -1 3 289.306 3.118 20 10 CGCDHM C[C@H]([NH2+]CCC1CC(F)(F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265893 994576764 /nfs/dbraw/zinc/57/67/64/994576764.db2.gz ZTKIOGSAPYEIAI-VIFPVBQESA-N -1 3 299.317 3.176 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000125315443 370934147 /nfs/dbraw/zinc/93/41/47/370934147.db2.gz OZBYODWTCSTCEK-CYBMUJFWSA-N -1 3 291.782 3.496 20 10 CGCDHM COC[C@@H](N[C@@H]1CCc2cccc([O-])c21)c1ccc(C)o1 ZINC000297516810 373274135 /nfs/dbraw/zinc/27/41/35/373274135.db2.gz CWORKZVUKVTSSJ-ZIAGYGMSSA-N -1 3 287.359 3.258 20 10 CGCDHM COC[C@H](NCc1cc(Cl)cc(C)c1[O-])c1ccco1 ZINC000182531856 374286811 /nfs/dbraw/zinc/28/68/11/374286811.db2.gz TYPMFWAVJFUXIN-ZDUSSCGKSA-N -1 3 295.766 3.424 20 10 CGCDHM COC[C@H](N[C@@H](C)c1ccccc1[O-])c1ccc(C)o1 ZINC000183541178 374426409 /nfs/dbraw/zinc/42/64/09/374426409.db2.gz GHVWDBGPPDMZDM-JSGCOSHPSA-N -1 3 275.348 3.332 20 10 CGCDHM Cc1cnc([C@@H](C)NCc2cc(F)ccc2[O-])s1 ZINC000226614327 376365907 /nfs/dbraw/zinc/36/59/07/376365907.db2.gz ZNWMRQIQOIMRFF-SECBINFHSA-N -1 3 266.341 3.147 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCO[C@@H](c2ccccc2)C1 ZINC000272310282 378610771 /nfs/dbraw/zinc/61/07/71/378610771.db2.gz RIVDUKIUVTVLAQ-QGZVFWFLSA-N -1 3 287.334 3.105 20 10 CGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccsc2)c1 ZINC000273409087 378746329 /nfs/dbraw/zinc/74/63/29/378746329.db2.gz PGAWREWCWVVLOV-SNVBAGLBSA-N -1 3 291.372 3.091 20 10 CGCDHM Cc1nnc([C@@H](C)N[C@H](C)c2ccc(F)cc2[O-])s1 ZINC000274262695 378800572 /nfs/dbraw/zinc/80/05/72/378800572.db2.gz VCCUMNJFAPYGAX-HTQZYQBOSA-N -1 3 281.356 3.103 20 10 CGCDHM CC[C@@H](N[C@@H](CCO)c1ccco1)c1ccc(F)cc1[O-] ZINC000285903256 380152920 /nfs/dbraw/zinc/15/29/20/380152920.db2.gz BLABSLDUPMXQGA-KGLIPLIRSA-N -1 3 293.338 3.289 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC2(C1)CCOCC2 ZINC000364470692 382272043 /nfs/dbraw/zinc/27/20/43/382272043.db2.gz DDUSMNRAMIFHNT-UHFFFAOYSA-N -1 3 299.773 3.187 20 10 CGCDHM CSC[C@@H]1CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000135471550 392474991 /nfs/dbraw/zinc/47/49/91/392474991.db2.gz SODSWDHEKVXGFR-ZDUSSCGKSA-N -1 3 297.395 3.061 20 10 CGCDHM CCSCC[C@H](C)N(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179529936 392702319 /nfs/dbraw/zinc/70/23/19/392702319.db2.gz QBLDEMOGZWSWRK-NSHDSACASA-N -1 3 297.420 3.010 20 10 CGCDHM CCc1ccc([C@H]2COCCN2Cc2ccccc2[O-])o1 ZINC000179576377 392704533 /nfs/dbraw/zinc/70/45/33/392704533.db2.gz GRTIEEGLIJWJQW-OAHLLOKOSA-N -1 3 287.359 3.121 20 10 CGCDHM CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000279080846 286812792 /nfs/dbraw/zinc/81/27/92/286812792.db2.gz DYTHNSADLUCCPK-DGCLKSJQSA-N -1 3 277.364 3.139 20 10 CGCDHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000279080856 522333143 /nfs/dbraw/zinc/33/31/43/522333143.db2.gz DYTHNSADLUCCPK-YPMHNXCESA-N -1 3 277.364 3.139 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CCOC[C@H](C2CCC2)C1 ZINC000292807126 526325470 /nfs/dbraw/zinc/32/54/70/526325470.db2.gz OGTUXFJMDKCFLC-CQSZACIVSA-N -1 3 295.810 3.294 20 10 CGCDHM Cc1cc([O-])c(C[NH+]2CCC(C(=O)[O-])CC2)cc1C(C)C ZINC000740089183 572432257 /nfs/dbraw/zinc/43/22/57/572432257.db2.gz OILQZYBFPOZRMP-UHFFFAOYSA-N -1 3 291.391 3.121 20 10 CGCDHM O=C(NCc1ccccc1Cl)c1cc([O-])cs1 ZINC000731867125 572433277 /nfs/dbraw/zinc/43/32/77/572433277.db2.gz WBGCKTORHVYYBA-UHFFFAOYSA-N -1 3 267.737 3.037 20 10 CGCDHM CCn1c(NC(=O)c2cc([O-])cs2)nc2ccccc21 ZINC000732264512 572454805 /nfs/dbraw/zinc/45/48/05/572454805.db2.gz VAHCAYUHOQODPD-UHFFFAOYSA-N -1 3 287.344 3.076 20 10 CGCDHM O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cc([O-])cs1 ZINC000732267505 572455053 /nfs/dbraw/zinc/45/50/53/572455053.db2.gz IKIPUZARLMIGPC-UHFFFAOYSA-N -1 3 285.328 3.096 20 10 CGCDHM C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc([O-])cs1 ZINC000732267766 572455567 /nfs/dbraw/zinc/45/55/67/572455567.db2.gz VHELCHXJFWGSRU-GXSJLCMTSA-N -1 3 253.367 3.104 20 10 CGCDHM O=C(N[C@H]1CCc2cc(F)ccc21)c1cc([O-])cs1 ZINC000732275709 572457419 /nfs/dbraw/zinc/45/74/19/572457419.db2.gz IXELKWJGCPQOLY-LBPRGKRZSA-N -1 3 277.320 3.010 20 10 CGCDHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cc([O-])cs2)s1 ZINC000732288870 572459256 /nfs/dbraw/zinc/45/92/56/572459256.db2.gz IQTGDZUMZKDTQJ-MRVPVSSYSA-N -1 3 296.417 3.360 20 10 CGCDHM Cc1csc([C@@H](NC(=O)c2cc([O-])cs2)C2CC2)n1 ZINC000743679232 572677993 /nfs/dbraw/zinc/67/79/93/572677993.db2.gz YNGAOQCNVHEIJO-NSHDSACASA-N -1 3 294.401 3.100 20 10 CGCDHM O=C(N[C@@H]1CCCCC12CCCC2)c1cccc(O)c1[O-] ZINC000314092564 619214727 /nfs/dbraw/zinc/21/47/27/619214727.db2.gz GAVOCZHCMMQDDS-CQSZACIVSA-N -1 3 289.375 3.331 20 10 CGCDHM C[C@H](c1cccnc1)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894448089 619541745 /nfs/dbraw/zinc/54/17/45/619541745.db2.gz BDMHERWYWONCEI-SNVBAGLBSA-N -1 3 278.302 3.258 20 10 CGCDHM CC(C)(C)c1nccc(NCc2c([O-])cccc2F)n1 ZINC000895832839 619894362 /nfs/dbraw/zinc/89/43/62/619894362.db2.gz NVFBOPJKNBVQRB-UHFFFAOYSA-N -1 3 275.327 3.231 20 10 CGCDHM COC[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1ccc(C)o1 ZINC000185630281 625399196 /nfs/dbraw/zinc/39/91/96/625399196.db2.gz HTXXKEHXHOIZLN-SMDDNHRTSA-N -1 3 293.338 3.471 20 10 CGCDHM Cc1cccc(C2(C(=O)NCc3c([O-])cccc3F)CC2)c1 ZINC000928712330 620208673 /nfs/dbraw/zinc/20/86/73/620208673.db2.gz RHHLZVGIRJMJOF-UHFFFAOYSA-N -1 3 299.345 3.188 20 10 CGCDHM C/C=C/C[C@H](NCc1cc(Cl)ccc1[O-])C(=O)OCC ZINC000763361908 627153756 /nfs/dbraw/zinc/15/37/56/627153756.db2.gz NEMJXNVGQGMDSQ-LQPUYASZSA-N -1 3 297.782 3.033 20 10 CGCDHM COC[C@H](C)n1ccc(NCc2c([O-])cccc2Cl)n1 ZINC000778212922 628333941 /nfs/dbraw/zinc/33/39/41/628333941.db2.gz GYOMFIUNCUIBGX-JTQLQIEISA-N -1 3 295.770 3.062 20 10 CGCDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])c1ccccc1C ZINC000780897097 628522536 /nfs/dbraw/zinc/52/25/36/628522536.db2.gz VDNRKSUKQWJEFM-UHFFFAOYSA-N -1 3 285.343 3.381 20 10 CGCDHM Cc1ccccc1[C@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000790707334 629226562 /nfs/dbraw/zinc/22/65/62/629226562.db2.gz NAQDVEDAXNTULH-MRXNPFEDSA-N -1 3 297.354 3.287 20 10 CGCDHM C[C@H](NCc1cc(Cl)c(F)cc1[O-])c1ccns1 ZINC000862539671 629394662 /nfs/dbraw/zinc/39/46/62/629394662.db2.gz PQDYSVPQPBAJPR-ZETCQYMHSA-N -1 3 286.759 3.492 20 10 CGCDHM C[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ccns1 ZINC000862539670 629395017 /nfs/dbraw/zinc/39/50/17/629395017.db2.gz PQDYSVPQPBAJPR-SSDOTTSWSA-N -1 3 286.759 3.492 20 10 CGCDHM C[C@H](NC1(C(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000800502195 630289478 /nfs/dbraw/zinc/28/94/78/630289478.db2.gz OSWDWCOSICGYII-ZETCQYMHSA-N -1 3 261.699 3.494 20 10 CGCDHM Cc1cc([O-])c(CN(C)[C@H](C)C(=O)OC(C)C)cc1Cl ZINC000824894191 633302929 /nfs/dbraw/zinc/30/29/29/633302929.db2.gz BWLZYDGBIPJFRO-LLVKDONJSA-N -1 3 299.798 3.126 20 10 CGCDHM CCn1ccnc1[C@@H](C)N[C@H](C)c1ccc(F)cc1[O-] ZINC000834897281 634274156 /nfs/dbraw/zinc/27/41/56/634274156.db2.gz ZNRCHWZKFYQEQG-GHMZBOCLSA-N -1 3 277.343 3.160 20 10 CGCDHM CCCc1ncc(CN[C@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000834898505 634275743 /nfs/dbraw/zinc/27/57/43/634275743.db2.gz FKPMKSOUTDSNLA-SECBINFHSA-N -1 3 296.317 3.462 20 10 CGCDHM CC[C@H](NCc1ncccc1OC)c1ccc(F)cc1[O-] ZINC000834905688 634282371 /nfs/dbraw/zinc/28/23/71/634282371.db2.gz JTWHNKCMGXYFFX-ZDUSSCGKSA-N -1 3 290.338 3.176 20 10 CGCDHM Cc1c(Cl)cccc1NC(=O)c1cccc(O)c1[O-] ZINC000126202936 634918960 /nfs/dbraw/zinc/91/89/60/634918960.db2.gz WLJCZNMJINWDAC-UHFFFAOYSA-N -1 3 277.707 3.312 20 10 CGCDHM O=C(Nc1ccc(Cl)cc1F)c1cccc(O)c1[O-] ZINC000126302020 634956062 /nfs/dbraw/zinc/95/60/62/634956062.db2.gz BLMKVMHAFWMNDZ-UHFFFAOYSA-N -1 3 281.670 3.143 20 10 CGCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841454199 635177986 /nfs/dbraw/zinc/17/79/86/635177986.db2.gz VOKCKCRRQRCZNY-QWHCGFSZSA-N -1 3 291.391 3.385 20 10 CGCDHM Cc1cccnc1NCc1cccc(Br)c1[O-] ZINC000130947258 636535025 /nfs/dbraw/zinc/53/50/25/636535025.db2.gz GQEWIQROLKZGGR-UHFFFAOYSA-N -1 3 293.164 3.470 20 10 CGCDHM C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886547282 637574711 /nfs/dbraw/zinc/57/47/11/637574711.db2.gz IMWMFDXNLYQMAU-QMTHXVAHSA-N -1 3 293.313 3.055 20 10 CGCDHM O=C(N[C@H](C(F)F)C1CCCCC1)c1cccc(O)c1[O-] ZINC000857741921 638562617 /nfs/dbraw/zinc/56/26/17/638562617.db2.gz QKMJQZMVDNDAEL-LBPRGKRZSA-N -1 3 299.317 3.042 20 10 CGCDHM Cc1cc(C)c(C(=O)NCc2c([O-])cccc2F)s1 ZINC001156170362 805661583 /nfs/dbraw/zinc/66/15/83/805661583.db2.gz MACDIIUSRMVHGY-UHFFFAOYSA-N -1 3 279.336 3.140 20 10 CGCDHM C[C@@H]1CCCC[C@@H]1CC(=O)NCc1c([O-])cccc1F ZINC001156170131 805662036 /nfs/dbraw/zinc/66/20/36/805662036.db2.gz HMCNTCPITQGDES-VXGBXAGGSA-N -1 3 279.355 3.364 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2CCCCC2)c1[O-] ZINC000037322708 798866268 /nfs/dbraw/zinc/86/62/68/798866268.db2.gz KWCHLOOBSISBQM-UHFFFAOYSA-N -1 3 267.756 3.234 20 10 CGCDHM C[C@@H](CCC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000395366888 799505115 /nfs/dbraw/zinc/50/51/15/799505115.db2.gz NJUYWINRYVCUSN-JTQLQIEISA-N -1 3 265.353 3.042 20 10 CGCDHM C[C@H](N[C@H]1CCCC1(F)F)c1ccc(F)cc1[O-] ZINC000398189918 799528461 /nfs/dbraw/zinc/52/84/61/799528461.db2.gz MFDRBXRHJJHOIR-UFBFGSQYSA-N -1 3 259.271 3.370 20 10 CGCDHM CCC1(CC)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000690413673 799775599 /nfs/dbraw/zinc/77/55/99/799775599.db2.gz KXUDWOOJDIAGGO-UHFFFAOYSA-N -1 3 277.364 3.140 20 10 CGCDHM [O-]c1c(CN2CCCC(F)(F)CC2)ccc(F)c1F ZINC000703501945 799924026 /nfs/dbraw/zinc/92/40/26/799924026.db2.gz LWOUPWSIPLZFDC-UHFFFAOYSA-N -1 3 277.261 3.292 20 10 CGCDHM C[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715701656 800145092 /nfs/dbraw/zinc/14/50/92/800145092.db2.gz GGZDQVYIVVYXSM-MRVPVSSYSA-N -1 3 288.160 3.136 20 10 CGCDHM [O-]c1c(F)ccc(F)c1CN1CCCC(F)(F)CC1 ZINC001139684391 804253095 /nfs/dbraw/zinc/25/30/95/804253095.db2.gz IJGRAPBNSPKBDB-UHFFFAOYSA-N -1 3 277.261 3.292 20 10 CGCDHM CN(Cc1cscn1)Cc1ccc(Cl)cc1[O-] ZINC001140466086 804443405 /nfs/dbraw/zinc/44/34/05/804443405.db2.gz WQRJPOMKVRKLCQ-UHFFFAOYSA-N -1 3 268.769 3.134 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC001142520399 804730545 /nfs/dbraw/zinc/73/05/45/804730545.db2.gz IBQHLMKDFLBPEI-SECBINFHSA-N -1 3 295.251 3.445 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H](CF)C1 ZINC001183519170 810151111 /nfs/dbraw/zinc/15/11/11/810151111.db2.gz BWSMSMVLWIKJER-SECBINFHSA-N -1 3 275.726 3.366 20 10 CGCDHM Cc1ccc(-c2noc(-c3cccc(O)c3[O-])n2)cc1C ZINC001215143828 815488777 /nfs/dbraw/zinc/48/87/77/815488777.db2.gz VJPJAGYNMOQXIJ-UHFFFAOYSA-N -1 3 282.299 3.432 20 10 CGCDHM [O-]c1c(CN2CC(Cc3ccccc3)C2)ccc(F)c1F ZINC001206174693 813226835 /nfs/dbraw/zinc/22/68/35/813226835.db2.gz QMNJYZOEHPXROS-UHFFFAOYSA-N -1 3 289.325 3.345 20 10 CGCDHM [O-]c1cc(F)c(Nc2ccc3c(c2)OCCN3)c(F)c1 ZINC001209789439 814140576 /nfs/dbraw/zinc/14/05/76/814140576.db2.gz PYCLUPWASXYWJY-UHFFFAOYSA-N -1 3 278.258 3.218 20 10 CGCDHM C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454133 818102581 /nfs/dbraw/zinc/10/25/81/818102581.db2.gz OCOTVGTVBIDMTM-GFCCVEGCSA-N -1 3 297.354 3.037 20 10 CGCDHM C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454133 818102584 /nfs/dbraw/zinc/10/25/84/818102584.db2.gz OCOTVGTVBIDMTM-GFCCVEGCSA-N -1 3 297.354 3.037 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@H](C(F)(F)F)C1 ZINC001233334600 818586219 /nfs/dbraw/zinc/58/62/19/818586219.db2.gz NASOLOFPJDSWNW-QMMMGPOBSA-N -1 3 295.251 3.445 20 10 CGCDHM COc1cc([O-])c(CN(C)Cc2ccncc2)c(Cl)c1 ZINC001236799666 819599309 /nfs/dbraw/zinc/59/93/09/819599309.db2.gz UXOBHPFRVFXZDA-UHFFFAOYSA-N -1 3 292.766 3.081 20 10 CGCDHM [O-]c1cc(Cl)c(Cl)cc1CN(C1CC1)C1COC1 ZINC001236800563 819600724 /nfs/dbraw/zinc/60/07/24/819600724.db2.gz WASUMDMCHHLZPW-UHFFFAOYSA-N -1 3 288.174 3.062 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCNC2=CCCC[C@@H]21 ZINC001237229176 819706971 /nfs/dbraw/zinc/70/69/71/819706971.db2.gz MIGSSMPWLJETQB-AWEZNQCLSA-N -1 3 296.773 3.026 20 10 CGCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001237935168 819887759 /nfs/dbraw/zinc/88/77/59/819887759.db2.gz QXULQKSJRYGQNO-BONVTDFDSA-N -1 3 299.773 3.186 20 10 CGCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@H]2CCCO[C@@H]2C1 ZINC001237935171 819888653 /nfs/dbraw/zinc/88/86/53/819888653.db2.gz QXULQKSJRYGQNO-MEBBXXQBSA-N -1 3 299.773 3.186 20 10 CGCDHM CCC[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC001461958720 928770047 /nfs/dbraw/zinc/77/00/47/928770047.db2.gz KDUJJORCXBQFOZ-ZDUSSCGKSA-N -1 3 283.799 3.355 20 10 CGCDHM Cc1ccccc1C1(NC(=O)c2cccc(O)c2[O-])CCC1 ZINC001452769674 937398599 /nfs/dbraw/zinc/39/85/99/937398599.db2.gz WZHNLOLZVVHRTG-UHFFFAOYSA-N -1 3 297.354 3.215 20 10 CGCDHM [O-]c1cccc(F)c1CNc1nnc(C(F)(F)F)s1 ZINC001458618575 937470325 /nfs/dbraw/zinc/47/03/25/937470325.db2.gz NJCSSMQSVQGFQW-UHFFFAOYSA-N -1 3 293.245 3.014 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CCCC[C@H]1c1cc[nH]n1 ZINC001308758063 933171207 /nfs/dbraw/zinc/17/12/07/933171207.db2.gz LKHXABNLAQONMF-AWEZNQCLSA-N -1 3 291.782 3.496 20 10 CGCDHM Cc1cccc([O-])c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001467260414 937716571 /nfs/dbraw/zinc/71/65/71/937716571.db2.gz RKPXTBJREFUOAZ-CYBMUJFWSA-N -1 3 298.386 3.258 20 10 CGCDHM CC(C)CC[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001467704246 937720886 /nfs/dbraw/zinc/72/08/86/937720886.db2.gz GPDFCBJXLFKNPQ-NSHDSACASA-N -1 3 282.359 3.155 20 10 CGCDHM CC[C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@H](CC)O1 ZINC001560894872 938282445 /nfs/dbraw/zinc/28/24/45/938282445.db2.gz XGVRRKLCDGHTDC-OKILXGFUSA-N -1 3 283.799 3.435 20 10 CGCDHM Cc1cc([O-])c(CN[C@@H](C)C(=O)OCC(C)C)c(Cl)c1 ZINC001560975329 938287254 /nfs/dbraw/zinc/28/72/54/938287254.db2.gz WYCGEBGLBIORAM-NSHDSACASA-N -1 3 299.798 3.031 20 10 CGCDHM COc1ccc(F)c(CN(C)Cc2ccccc2[O-])c1 ZINC000295253072 372717369 /nfs/dbraw/zinc/71/73/69/372717369.db2.gz GEGUZPZLALOPEF-UHFFFAOYSA-N -1 3 275.323 3.172 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCO[C@H](c2cccs2)C1 ZINC000180002672 373952898 /nfs/dbraw/zinc/95/28/98/373952898.db2.gz NMUQLMZNAZGVHG-AWEZNQCLSA-N -1 3 293.363 3.166 20 10 CGCDHM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000193095171 375825813 /nfs/dbraw/zinc/82/58/13/375825813.db2.gz UCOBNDMWVYCGDX-AWEZNQCLSA-N -1 3 299.370 3.191 20 10 CGCDHM Cc1nc(CN(C)Cc2ccccc2[O-])sc1C ZINC000268649549 378085957 /nfs/dbraw/zinc/08/59/57/378085957.db2.gz JKEBZZDIKPINMM-UHFFFAOYSA-N -1 3 262.378 3.098 20 10 CGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(C)ccn2)c1 ZINC000273469416 378748249 /nfs/dbraw/zinc/74/82/49/378748249.db2.gz JJLSYOJKSPZAKU-LLVKDONJSA-N -1 3 286.331 3.055 20 10 CGCDHM COc1cc(Cl)cc(CN(C)Cc2ccco2)c1[O-] ZINC000184674757 262026208 /nfs/dbraw/zinc/02/62/08/262026208.db2.gz VZVIZQFCAUBOPL-UHFFFAOYSA-N -1 3 281.739 3.279 20 10 CGCDHM CC[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000037328875 173129828 /nfs/dbraw/zinc/12/98/28/173129828.db2.gz CREZWANYNBYZPR-LBPRGKRZSA-N -1 3 279.355 3.356 20 10 CGCDHM CCc1noc(CC)c1CNCc1c([O-])cccc1Cl ZINC000152800208 261069475 /nfs/dbraw/zinc/06/94/75/261069475.db2.gz XYVZLXOFSBTZJT-UHFFFAOYSA-N -1 3 294.782 3.448 20 10 CGCDHM [O-]c1ccc(F)cc1CNc1ccc(N2CCCC2)nc1 ZINC000226617297 333266297 /nfs/dbraw/zinc/26/62/97/333266297.db2.gz WRWGEXWQCBCHHQ-UHFFFAOYSA-N -1 3 287.338 3.139 20 10 CGCDHM CCc1nn(C)cc1N[C@H](C)c1ccc(F)cc1[O-] ZINC000230671446 333320629 /nfs/dbraw/zinc/32/06/29/333320629.db2.gz SCLOPQXYVFLOKV-SECBINFHSA-N -1 3 263.316 3.000 20 10 CGCDHM CCCN(Cc1ccccc1[O-])[C@H](C)c1noc(C)n1 ZINC000289892167 521690720 /nfs/dbraw/zinc/69/07/20/521690720.db2.gz MLSUVKZRBVIPCX-LLVKDONJSA-N -1 3 275.352 3.057 20 10 CGCDHM COc1ccc(F)cc1CN(C)Cc1ccccc1[O-] ZINC000264626247 524308466 /nfs/dbraw/zinc/30/84/66/524308466.db2.gz SSEPRIXHQFYUHX-UHFFFAOYSA-N -1 3 275.323 3.172 20 10 CGCDHM COC1CN(Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000738225829 572366435 /nfs/dbraw/zinc/36/64/35/572366435.db2.gz OTDTVMAWVPSJHI-UHFFFAOYSA-N -1 3 283.327 3.122 20 10 CGCDHM Cc1ccc(C[C@H](C)NC(=O)c2cc([O-])cs2)s1 ZINC000738545847 572378548 /nfs/dbraw/zinc/37/85/48/572378548.db2.gz ROMRJXRNLIEROZ-QMMMGPOBSA-N -1 3 281.402 3.185 20 10 CGCDHM CCCCCc1nnc(NC(=O)c2cc([O-])cs2)s1 ZINC000731867974 572433549 /nfs/dbraw/zinc/43/35/49/572433549.db2.gz GAJJCJWLFVMTLF-UHFFFAOYSA-N -1 3 297.405 3.290 20 10 CGCDHM COc1ccc(Cl)cc1CNC(=O)c1cc([O-])cs1 ZINC000732272582 572457309 /nfs/dbraw/zinc/45/73/09/572457309.db2.gz WVJIPYZDKIZYJY-UHFFFAOYSA-N -1 3 297.763 3.046 20 10 CGCDHM CCC(=O)Nc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000732272327 572457384 /nfs/dbraw/zinc/45/73/84/572457384.db2.gz PZZIKHPJBOFWEI-UHFFFAOYSA-N -1 3 290.344 3.055 20 10 CGCDHM CO[C@H](C)c1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000732282315 572457866 /nfs/dbraw/zinc/45/78/66/572457866.db2.gz FKWYFEBFAUAPCT-SECBINFHSA-N -1 3 277.345 3.413 20 10 CGCDHM CCOCc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000732283086 572458224 /nfs/dbraw/zinc/45/82/24/572458224.db2.gz WRIDFAVDGWJOSP-UHFFFAOYSA-N -1 3 277.345 3.243 20 10 CGCDHM O=C(NC1(c2ccc(F)cc2)CCC1)c1cc([O-])cs1 ZINC000732280611 572458404 /nfs/dbraw/zinc/45/84/04/572458404.db2.gz LWZLNCIACCPMMC-UHFFFAOYSA-N -1 3 291.347 3.402 20 10 CGCDHM Cc1ccc(C)c(OCCOC(=O)c2cc([O-])cs2)c1 ZINC000732353703 572461191 /nfs/dbraw/zinc/46/11/91/572461191.db2.gz LBQLFQIQAGHKLZ-UHFFFAOYSA-N -1 3 292.356 3.306 20 10 CGCDHM CCCCc1noc([C@@H](C)OC(=O)c2cc([O-])cs2)n1 ZINC000732353451 572461366 /nfs/dbraw/zinc/46/13/66/572461366.db2.gz PKOUPBDQDGCMGQ-MRVPVSSYSA-N -1 3 296.348 3.097 20 10 CGCDHM CC(C)c1cnc(CNCc2c([O-])cccc2F)s1 ZINC000896638159 620041689 /nfs/dbraw/zinc/04/16/89/620041689.db2.gz UNHYLVYLCJQKBU-UHFFFAOYSA-N -1 3 280.368 3.401 20 10 CGCDHM CC1(CC(=O)NCc2c([O-])cccc2F)CCCC1 ZINC000928705370 620207334 /nfs/dbraw/zinc/20/73/34/620207334.db2.gz HVHKQVOAQRDCSK-UHFFFAOYSA-N -1 3 265.328 3.118 20 10 CGCDHM C[C@H](NCc1nc2c(s1)CCC2)c1c([O-])cccc1F ZINC000903191366 621628986 /nfs/dbraw/zinc/62/89/86/621628986.db2.gz VADJMIZTMRKVMP-VIFPVBQESA-N -1 3 292.379 3.327 20 10 CGCDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])c1ccccc1 ZINC000179420917 623755703 /nfs/dbraw/zinc/75/57/03/623755703.db2.gz SUYJORHBFPKTKP-UHFFFAOYSA-N -1 3 271.316 3.073 20 10 CGCDHM C[C@H]1c2cccn2CCN1Cc1cc(Cl)ccc1[O-] ZINC000179565968 624666102 /nfs/dbraw/zinc/66/61/02/624666102.db2.gz JNRGXCATVXUERW-NSHDSACASA-N -1 3 276.767 3.424 20 10 CGCDHM CC(C)c1cc(CN[C@H](C)c2ccc(F)cc2[O-])on1 ZINC000756571675 626716371 /nfs/dbraw/zinc/71/63/71/626716371.db2.gz IQUOYBISZISXSI-SNVBAGLBSA-N -1 3 278.327 3.494 20 10 CGCDHM CC(C)n1ccc(CN[C@@H](C)c2ccc(F)cc2[O-])n1 ZINC000756593457 626719377 /nfs/dbraw/zinc/71/93/77/626719377.db2.gz KCIOTFWGVPGWGL-NSHDSACASA-N -1 3 277.343 3.160 20 10 CGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(F)cc2)c1 ZINC000756794773 626733096 /nfs/dbraw/zinc/73/30/96/626733096.db2.gz BTMPWICLQWCCJW-SNVBAGLBSA-N -1 3 289.306 3.491 20 10 CGCDHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2)c([O-])c1O ZINC000770465379 627620629 /nfs/dbraw/zinc/62/06/29/627620629.db2.gz JQACBOBITCUGSA-UHFFFAOYSA-N -1 3 277.707 3.312 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CNCc1cccc(F)n1 ZINC000776251825 628184530 /nfs/dbraw/zinc/18/45/30/628184530.db2.gz CKWUWMZYODNTBD-UHFFFAOYSA-N -1 3 284.693 3.009 20 10 CGCDHM C[C@]1(CO)CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000789557071 629144864 /nfs/dbraw/zinc/14/48/64/629144864.db2.gz FWMISXJKAMHRKR-CYBMUJFWSA-N -1 3 290.190 3.046 20 10 CGCDHM O=C(NCc1csc2ccccc12)c1cccc(O)c1[O-] ZINC000790539445 629216615 /nfs/dbraw/zinc/21/66/15/629216615.db2.gz QXGQYYGLZWGKJH-UHFFFAOYSA-N -1 3 299.351 3.243 20 10 CGCDHM CC[C@H](Nc1cnn(C)c1C)c1ccc(F)cc1[O-] ZINC000796901559 629856800 /nfs/dbraw/zinc/85/68/00/629856800.db2.gz XKPKEUAZSAABJL-LBPRGKRZSA-N -1 3 263.316 3.136 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCC=C(Br)C1 ZINC000799736651 630228291 /nfs/dbraw/zinc/22/82/91/630228291.db2.gz BDDLSCGTBFGGRX-UHFFFAOYSA-N -1 3 286.144 3.016 20 10 CGCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(C(F)F)cc1 ZINC000808066125 630620803 /nfs/dbraw/zinc/62/08/03/630620803.db2.gz GZXREZABGRHOMT-UHFFFAOYSA-N -1 3 299.298 3.131 20 10 CGCDHM CN(Cc1ccc[nH]1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816519832 632002339 /nfs/dbraw/zinc/00/23/39/632002339.db2.gz XNDPGZIEPGHBAE-UHFFFAOYSA-N -1 3 268.719 3.145 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC(CC(F)F)C1 ZINC000822521028 632955763 /nfs/dbraw/zinc/95/57/63/632955763.db2.gz VYQBVKVPFGUZMQ-UHFFFAOYSA-N -1 3 279.689 3.272 20 10 CGCDHM Cc1cc([O-])c(CN[C@H](C)C(F)(F)F)cc1Cl ZINC000825939524 633389506 /nfs/dbraw/zinc/38/95/06/633389506.db2.gz BXCKACHRTFZUTI-SSDOTTSWSA-N -1 3 267.678 3.394 20 10 CGCDHM CCn1ncc(N[C@H](C)c2ccc(F)cc2[O-])c1C ZINC000872136110 634059153 /nfs/dbraw/zinc/05/91/53/634059153.db2.gz CNMNCTYXKXZEFY-SECBINFHSA-N -1 3 263.316 3.229 20 10 CGCDHM CC(C)(C)OC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876636084 634872285 /nfs/dbraw/zinc/87/22/85/634872285.db2.gz QJYQXIDFMSKVSN-UHFFFAOYSA-N -1 3 299.361 3.450 20 10 CGCDHM CCCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000126381151 635006447 /nfs/dbraw/zinc/00/64/47/635006447.db2.gz QYALBAXVOZHNRF-UHFFFAOYSA-N -1 3 287.315 3.139 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2CC3CC2(C)C3)c1[O-] ZINC000852785287 637712838 /nfs/dbraw/zinc/71/28/38/637712838.db2.gz FGQQDWLSZJRQGZ-UHFFFAOYSA-N -1 3 279.767 3.233 20 10 CGCDHM C[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccns1 ZINC000858317127 638679114 /nfs/dbraw/zinc/67/91/14/638679114.db2.gz RETAUXHNBDIABB-SSDOTTSWSA-N -1 3 286.759 3.492 20 10 CGCDHM O=C(Nc1cccc2ccc(O)cc21)c1cccc(O)c1[O-] ZINC000193143442 640435522 /nfs/dbraw/zinc/43/55/22/640435522.db2.gz FCFOXNPQCNEXNI-UHFFFAOYSA-N -1 3 295.294 3.209 20 10 CGCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1ccccn1 ZINC000019957711 641038818 /nfs/dbraw/zinc/03/88/18/641038818.db2.gz NKVTXPPTEJZSCH-UHFFFAOYSA-N -1 3 283.158 3.384 20 10 CGCDHM CN(CCC(F)(F)F)Cc1cc(F)cc(F)c1[O-] ZINC000708384323 799986499 /nfs/dbraw/zinc/98/64/99/799986499.db2.gz POPJBNSGZHTSSC-UHFFFAOYSA-N -1 3 269.213 3.055 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000708387232 799987557 /nfs/dbraw/zinc/98/75/57/799987557.db2.gz ZIEFPFHMMIAXDX-SECBINFHSA-N -1 3 295.251 3.445 20 10 CGCDHM C[C@H](NCc1nc2c(s1)CCC2)c1ccc(F)cc1[O-] ZINC000719582793 800244924 /nfs/dbraw/zinc/24/49/24/800244924.db2.gz MPWKASRGEHOJKY-VIFPVBQESA-N -1 3 292.379 3.327 20 10 CGCDHM Cc1nc([C@@H](C)NCc2ccc3ccccc3c2[O-])no1 ZINC001117760279 802489807 /nfs/dbraw/zinc/48/98/07/802489807.db2.gz TWXOAUKRNBSAFB-SNVBAGLBSA-N -1 3 283.331 3.088 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCCC(F)(F)[C@H](F)C1 ZINC001138123608 803863136 /nfs/dbraw/zinc/86/31/36/803863136.db2.gz CDYJPHCRFMVKEO-LLVKDONJSA-N -1 3 277.261 3.101 20 10 CGCDHM C[C@H]1CCN(Cc2cc(F)ccc2[O-])CC1(F)F ZINC001140058352 804365844 /nfs/dbraw/zinc/36/58/44/804365844.db2.gz XHJSSMIWKLQKNT-VIFPVBQESA-N -1 3 259.271 3.008 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCc2ccccc2C1 ZINC001142502025 804726784 /nfs/dbraw/zinc/72/67/84/804726784.db2.gz GVAPKUYLECVLRC-UHFFFAOYSA-N -1 3 275.298 3.229 20 10 CGCDHM C[C@@]1(F)CCCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508682 804728062 /nfs/dbraw/zinc/72/80/62/804728062.db2.gz HWAHQMNFVVOQSN-CQSZACIVSA-N -1 3 273.298 3.385 20 10 CGCDHM [O-]c1cc(F)cc(F)c1Nc1ccncc1C(F)(F)F ZINC001249587595 805183108 /nfs/dbraw/zinc/18/31/08/805183108.db2.gz XDBYESWBSAYYTM-UHFFFAOYSA-N -1 3 290.191 3.250 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CNCc1noc2ccccc12 ZINC001183769192 810160619 /nfs/dbraw/zinc/16/06/19/810160619.db2.gz OBAORCZYQIPJNC-UHFFFAOYSA-N -1 3 290.269 3.101 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H]1c1cnccn1 ZINC001203657302 812419122 /nfs/dbraw/zinc/41/91/22/812419122.db2.gz JDKQLMLMQDENEN-CQSZACIVSA-N -1 3 289.766 3.173 20 10 CGCDHM CC[C@H]1CCCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC001222526979 816461561 /nfs/dbraw/zinc/46/15/61/816461561.db2.gz IJNSOYBUBDXKJC-SMDDNHRTSA-N -1 3 294.370 3.299 20 10 CGCDHM CCCC1CC[NH+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231563193 818124562 /nfs/dbraw/zinc/12/45/62/818124562.db2.gz FQBABNIGQAZRGC-UHFFFAOYSA-N -1 3 277.364 3.103 20 10 CGCDHM Cc1cc([O-])c(CN2CCC(=O)[C@@H](C)CC2)cc1Cl ZINC001231868037 818192237 /nfs/dbraw/zinc/19/22/37/818192237.db2.gz PLGTUFWXZHNRPR-JTQLQIEISA-N -1 3 281.783 3.155 20 10 CGCDHM [O-]c1c(CN2Cc3cccnc3C2)ccc2ccccc21 ZINC001231878564 818197579 /nfs/dbraw/zinc/19/75/79/818197579.db2.gz PEJMMYZJSXALOX-UHFFFAOYSA-N -1 3 276.339 3.456 20 10 CGCDHM C[C@@]1(O)CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795544 819597353 /nfs/dbraw/zinc/59/73/53/819597353.db2.gz GFSSQSYTSODUCL-CYBMUJFWSA-N -1 3 290.190 3.046 20 10 CGCDHM COc1ccc(CN(C)Cc2cccnc2)c([O-])c1Cl ZINC001236806005 819601466 /nfs/dbraw/zinc/60/14/66/819601466.db2.gz KVZDKVNDJKXVSC-UHFFFAOYSA-N -1 3 292.766 3.081 20 10 CGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCCC[C@H](O)C1 ZINC001237077381 819660817 /nfs/dbraw/zinc/66/08/17/819660817.db2.gz GRTMLHWCMDRTEE-VIFPVBQESA-N -1 3 290.190 3.046 20 10 CGCDHM CCO[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237084515 819663433 /nfs/dbraw/zinc/66/34/33/819663433.db2.gz KEBBIDKGLZFWBH-SECBINFHSA-N -1 3 290.190 3.310 20 10 CGCDHM CCCO[C@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237937114 819889750 /nfs/dbraw/zinc/88/97/50/819889750.db2.gz NUBHRAOVOHMLTB-NSHDSACASA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CNC/C=C\Cl ZINC001461807734 937598215 /nfs/dbraw/zinc/59/82/15/937598215.db2.gz YZUSJEGHPPEALR-RJRFIUFISA-N -1 3 250.100 3.027 20 10 CGCDHM CC(C)[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CCS1 ZINC001308611664 933141874 /nfs/dbraw/zinc/14/18/74/933141874.db2.gz SXXOIKCFFVTKJY-CQSZACIVSA-N -1 3 287.375 3.244 20 10 CGCDHM C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001308728932 933166374 /nfs/dbraw/zinc/16/63/74/933166374.db2.gz CHONHKSBMHRJSU-IONNQARKSA-N -1 3 295.251 3.443 20 10 CGCDHM C[C@@]1(C2CC2)CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001308858372 933191495 /nfs/dbraw/zinc/19/14/95/933191495.db2.gz UVKUXSBQEKGZBF-HNNXBMFYSA-N -1 3 281.783 3.047 20 10 CGCDHM COc1ccc(NCc2cc(F)c(F)cc2[O-])c(F)c1 ZINC001308903755 933201020 /nfs/dbraw/zinc/20/10/20/933201020.db2.gz YHTPQXCRJINZKP-UHFFFAOYSA-N -1 3 283.249 3.430 20 10 CGCDHM CC(C)c1nnc(CN[C@@H](C)c2cc(Cl)ccc2[O-])[nH]1 ZINC000296440481 373135611 /nfs/dbraw/zinc/13/56/11/373135611.db2.gz MGBDPCUKEIMOIQ-VIFPVBQESA-N -1 3 294.786 3.138 20 10 CGCDHM COC[C@H](NCc1cccc(Cl)c1[O-])c1ccco1 ZINC000182531575 374287641 /nfs/dbraw/zinc/28/76/41/374287641.db2.gz PXBAGTMMTOCCEM-LBPRGKRZSA-N -1 3 281.739 3.116 20 10 CGCDHM COC[C@@H](N[C@H](C)c1ccccc1[O-])c1ccc(C)o1 ZINC000183541196 374426286 /nfs/dbraw/zinc/42/62/86/374426286.db2.gz GHVWDBGPPDMZDM-TZMCWYRMSA-N -1 3 275.348 3.332 20 10 CGCDHM CC1CCC(N(C(=O)c2cccc(O)c2[O-])C2CC2)CC1 ZINC000188307506 375193868 /nfs/dbraw/zinc/19/38/68/375193868.db2.gz SGHWBZHCZLTTQY-UHFFFAOYSA-N -1 3 289.375 3.281 20 10 CGCDHM COC(=O)[C@H](NCc1ccccc1[O-])c1cc(C)cc(C)c1 ZINC000189624122 375425688 /nfs/dbraw/zinc/42/56/88/375425688.db2.gz QKCAEKYONPPEHH-QGZVFWFLSA-N -1 3 299.370 3.013 20 10 CGCDHM C[C@@H](N[C@H](C)c1ccc2ccccc2c1[O-])c1ncn(C)n1 ZINC000275636716 378958959 /nfs/dbraw/zinc/95/89/59/378958959.db2.gz BZTFVZHGXJAQDS-VXGBXAGGSA-N -1 3 296.374 3.086 20 10 CGCDHM CCCCN(Cc1ccccc1[O-])[C@H](C)c1nnc(C)o1 ZINC000282472596 379926888 /nfs/dbraw/zinc/92/68/88/379926888.db2.gz NYZYJDQDKMQMRC-GFCCVEGCSA-N -1 3 289.379 3.447 20 10 CGCDHM CCCCN(Cc1cc(C)on1)Cc1ccccc1[O-] ZINC000282559314 379945737 /nfs/dbraw/zinc/94/57/37/379945737.db2.gz YFWJUBYHPBYWGI-UHFFFAOYSA-N -1 3 274.364 3.491 20 10 CGCDHM C[C@H](N[C@@H](C)c1c(F)cncc1F)c1ccccc1[O-] ZINC000285707421 380152834 /nfs/dbraw/zinc/15/28/34/380152834.db2.gz PHEQEMDYOOZZNH-UWVGGRQHSA-N -1 3 278.302 3.477 20 10 CGCDHM C[C@@H]1CN(Cc2ccccc2[O-])C[C@H](c2ccsc2)O1 ZINC000179582201 392704220 /nfs/dbraw/zinc/70/42/20/392704220.db2.gz BMTAIFFPNQFUGS-MLGOLLRUSA-N -1 3 289.400 3.416 20 10 CGCDHM CC[C@](C)(NCc1ccccc1[O-])c1nccs1 ZINC000152636422 261066561 /nfs/dbraw/zinc/06/65/61/261066561.db2.gz WSIANDRKEBGCGO-AWEZNQCLSA-N -1 3 262.378 3.264 20 10 CGCDHM C[C@@H](NCc1nccs1)c1cc(Cl)ccc1[O-] ZINC000185087610 262040859 /nfs/dbraw/zinc/04/08/59/262040859.db2.gz SIBJGLTUEJLHPR-MRVPVSSYSA-N -1 3 268.769 3.353 20 10 CGCDHM CCN(Cc1cc(Cl)cc(OC)c1[O-])CC(F)F ZINC000184745400 262298303 /nfs/dbraw/zinc/29/83/03/262298303.db2.gz JATHTVVEHUBFOQ-UHFFFAOYSA-N -1 3 279.714 3.141 20 10 CGCDHM CO[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000377273762 268063089 /nfs/dbraw/zinc/06/30/89/268063089.db2.gz RFGXAGKSCAGSGR-JTQLQIEISA-N -1 3 287.762 3.186 20 10 CGCDHM Cc1ccccc1[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000280648186 292697816 /nfs/dbraw/zinc/69/78/16/292697816.db2.gz NJJRBWDLBKJPGD-ZDUSSCGKSA-N -1 3 297.354 3.036 20 10 CGCDHM CCc1nn(C)cc1N[C@H](C)c1cc(F)ccc1[O-] ZINC000230671493 333320476 /nfs/dbraw/zinc/32/04/76/333320476.db2.gz NELFVQBAAICRND-SECBINFHSA-N -1 3 263.316 3.000 20 10 CGCDHM CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193138529 520671600 /nfs/dbraw/zinc/67/16/00/520671600.db2.gz KHCBZTPEMAEGAQ-YPMHNXCESA-N -1 3 277.364 3.139 20 10 CGCDHM CCCN(Cc1ccccc1[O-])[C@@H](C)c1nc(CC)no1 ZINC000076074340 521691206 /nfs/dbraw/zinc/69/12/06/521691206.db2.gz XRUHUHYOOQCRST-LBPRGKRZSA-N -1 3 289.379 3.311 20 10 CGCDHM CCc1noc([N-]Cc2c(C)c3ccccc3n2C)n1 ZINC000292598099 522900985 /nfs/dbraw/zinc/90/09/85/522900985.db2.gz BUCVHFAWPBCWQJ-UHFFFAOYSA-N -1 3 270.336 3.044 20 10 CGCDHM Cc1ccc(C(=O)N2CCC[C@H]2C(C)(C)C)c([O-])c1O ZINC000272765303 526105967 /nfs/dbraw/zinc/10/59/67/526105967.db2.gz LZBAEUIYTJVPFW-LBPRGKRZSA-N -1 3 277.364 3.057 20 10 CGCDHM CC[C@H](NC(=O)c1cc([O-])cs1)c1ccc(OC)cc1 ZINC000731863811 572430325 /nfs/dbraw/zinc/43/03/25/572430325.db2.gz DJUJWNNGJLUGRW-ZDUSSCGKSA-N -1 3 291.372 3.343 20 10 CGCDHM CCOc1ccc([C@@H](C)NC(=O)c2cc([O-])cs2)cc1 ZINC000731871508 572431384 /nfs/dbraw/zinc/43/13/84/572431384.db2.gz GSLZCYDSOIDHAT-SNVBAGLBSA-N -1 3 291.372 3.343 20 10 CGCDHM C[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)C[C@@H](C)C1 ZINC000740142148 572433946 /nfs/dbraw/zinc/43/39/46/572433946.db2.gz JHYXPGDPRCBCDF-MYJAWHEDSA-N -1 3 253.367 3.008 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CC[C@@H]1c1ccccc1 ZINC000732269577 572455560 /nfs/dbraw/zinc/45/55/60/572455560.db2.gz FXKNWQDTUYDKBW-GFCCVEGCSA-N -1 3 259.330 3.041 20 10 CGCDHM O=C(NCc1cc2ccccc2o1)c1cc([O-])cs1 ZINC000732272329 572457426 /nfs/dbraw/zinc/45/74/26/572457426.db2.gz QDUCKECRDYSXMD-UHFFFAOYSA-N -1 3 273.313 3.130 20 10 CGCDHM C[C@@H](c1ccccc1)N(C)C(=O)c1cc([O-])cs1 ZINC000732257783 572458045 /nfs/dbraw/zinc/45/80/45/572458045.db2.gz BLVIXMOJODZGEQ-JTQLQIEISA-N -1 3 261.346 3.287 20 10 CGCDHM C[C@H]1CCCC[C@@H]1OCCOC(=O)c1cc([O-])cs1 ZINC000732353989 572461082 /nfs/dbraw/zinc/46/10/82/572461082.db2.gz XTMFCYXEZYTFKI-JQWIXIFHSA-N -1 3 284.377 3.206 20 10 CGCDHM O=C(COC(=O)c1cc([O-])cs1)c1cccc(Cl)c1 ZINC000732354431 572461123 /nfs/dbraw/zinc/46/11/23/572461123.db2.gz LXTXJINJOUSKFO-UHFFFAOYSA-N -1 3 296.731 3.147 20 10 CGCDHM O=C(NCCc1ccc(F)cc1Cl)c1cc([O-])cs1 ZINC000733367506 572559426 /nfs/dbraw/zinc/55/94/26/572559426.db2.gz NTEMUGGXFZXEDX-UHFFFAOYSA-N -1 3 299.754 3.219 20 10 CGCDHM Cc1ccc(CC[C@@H](C)NC(=O)c2cc([O-])cs2)o1 ZINC000743718758 572681459 /nfs/dbraw/zinc/68/14/59/572681459.db2.gz ROTQNKUBBRTQIH-SECBINFHSA-N -1 3 279.361 3.106 20 10 CGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2ccsc2)c1[O-] ZINC000050134119 618053563 /nfs/dbraw/zinc/05/35/63/618053563.db2.gz OKABQOWEZLCGDX-UHFFFAOYSA-N -1 3 293.363 3.427 20 10 CGCDHM Cc1cc([O-])c(CN(C)Cc2ccns2)cc1Cl ZINC000895451957 619832181 /nfs/dbraw/zinc/83/21/81/619832181.db2.gz HDPKVHDSJQBBEY-UHFFFAOYSA-N -1 3 282.796 3.443 20 10 CGCDHM Cc1cnc(CN[C@H](C)c2ccc(F)cc2[O-])s1 ZINC000185569027 625386079 /nfs/dbraw/zinc/38/60/79/625386079.db2.gz WWLKWVCJCGGLTJ-SECBINFHSA-N -1 3 266.341 3.147 20 10 CGCDHM C[C@H](N[C@@H](C)C(F)F)c1ccc(Br)cc1[O-] ZINC000883399769 619995531 /nfs/dbraw/zinc/99/55/31/619995531.db2.gz UZCGPHYMNYQXTF-BQBZGAKWSA-N -1 3 294.139 3.459 20 10 CGCDHM [O-]c1cccc(F)c1CNCc1nc2c(s1)CCCC2 ZINC000896636807 620041750 /nfs/dbraw/zinc/04/17/50/620041750.db2.gz HROXPLAEPKYZOV-UHFFFAOYSA-N -1 3 292.379 3.156 20 10 CGCDHM CC(C)CC(C)(C)C(=O)NCc1c([O-])cccc1F ZINC000928704489 620207621 /nfs/dbraw/zinc/20/76/21/620207621.db2.gz AAAFUBKUPUTZTB-UHFFFAOYSA-N -1 3 267.344 3.220 20 10 CGCDHM CC(C)c1c[nH]c(CNCc2cccc(Cl)c2[O-])n1 ZINC000898216199 620488813 /nfs/dbraw/zinc/48/88/13/620488813.db2.gz WEECFCXAWCKELJ-UHFFFAOYSA-N -1 3 279.771 3.182 20 10 CGCDHM [O-]c1c(F)cccc1CNc1cccc(-c2nnco2)c1 ZINC000164940311 622851511 /nfs/dbraw/zinc/85/15/11/622851511.db2.gz XHUDCDPYWWUNLI-UHFFFAOYSA-N -1 3 285.278 3.193 20 10 CGCDHM O=[N+]([O-])c1ccccc1CNCc1cccc(Cl)c1[O-] ZINC000158107091 623002858 /nfs/dbraw/zinc/00/28/58/623002858.db2.gz PVKKSWRBWYBJCI-UHFFFAOYSA-N -1 3 292.722 3.244 20 10 CGCDHM Cc1ccc(C(=O)Nc2c(C)cccc2C)c([O-])c1O ZINC000179525438 624662606 /nfs/dbraw/zinc/66/26/06/624662606.db2.gz YVOMJRMKIBUNMZ-UHFFFAOYSA-N -1 3 271.316 3.275 20 10 CGCDHM O=C([O-])[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000874053770 634510625 /nfs/dbraw/zinc/51/06/25/634510625.db2.gz NOJDYQZJGRVNGK-KOMQPUFPSA-N -1 3 297.354 3.012 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ccccn1)c1cc(F)cc(F)c1[O-] ZINC000756344208 626693793 /nfs/dbraw/zinc/69/37/93/626693793.db2.gz SEHNZCSTVSNIQN-ZJUUUORDSA-N -1 3 278.302 3.477 20 10 CGCDHM C[C@H](NCc1cn2ccccc2n1)c1ccc(F)cc1[O-] ZINC000756361106 626696190 /nfs/dbraw/zinc/69/61/90/626696190.db2.gz FSIWMMRKRATSLX-NSHDSACASA-N -1 3 285.322 3.030 20 10 CGCDHM Cc1cccc(CN(C)Cc2cccc(Cl)c2[O-])n1 ZINC000775716192 628128621 /nfs/dbraw/zinc/12/86/21/628128621.db2.gz RHEOLGWYFBEBFU-UHFFFAOYSA-N -1 3 276.767 3.381 20 10 CGCDHM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cccc(O)c2[O-])c1 ZINC000776664853 628224424 /nfs/dbraw/zinc/22/44/24/628224424.db2.gz QJEPLFZCTMTVEG-CYBMUJFWSA-N -1 3 299.370 3.076 20 10 CGCDHM C[C@@H](NCc1cccc(F)c1[O-])c1c(F)cncc1F ZINC000809716481 630790441 /nfs/dbraw/zinc/79/04/41/630790441.db2.gz PBODJRUJJQEZBX-MRVPVSSYSA-N -1 3 282.265 3.055 20 10 CGCDHM Cc1ccoc1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000813790244 631460923 /nfs/dbraw/zinc/46/09/23/631460923.db2.gz LANBNDDNWNJGSJ-UHFFFAOYSA-N -1 3 296.710 3.145 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1ccco1 ZINC000816528849 632004136 /nfs/dbraw/zinc/00/41/36/632004136.db2.gz ULRLBPADUAJAAK-UHFFFAOYSA-N -1 3 255.676 3.068 20 10 CGCDHM CCc1nc(C)c(CNCc2cc(Cl)c(F)cc2[O-])o1 ZINC000816618372 632024230 /nfs/dbraw/zinc/02/42/30/632024230.db2.gz WCSYHUHAHGECRZ-UHFFFAOYSA-N -1 3 298.745 3.333 20 10 CGCDHM CCc1ncc(CNCc2cc(Cl)c(F)cc2[O-])o1 ZINC000825079652 633327043 /nfs/dbraw/zinc/32/70/43/633327043.db2.gz YNXLMUVRVWIAHX-UHFFFAOYSA-N -1 3 284.718 3.025 20 10 CGCDHM C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)c2c([O-])cccc21 ZINC000832290118 634042744 /nfs/dbraw/zinc/04/27/44/634042744.db2.gz MWLKHDGUNSFMPR-SECBINFHSA-N -1 3 289.356 3.313 20 10 CGCDHM CCn1ccnc1[C@@H](C)N[C@@H](C)c1ccc(F)cc1[O-] ZINC000834897284 634274384 /nfs/dbraw/zinc/27/43/84/634274384.db2.gz ZNRCHWZKFYQEQG-WDEREUQCSA-N -1 3 277.343 3.160 20 10 CGCDHM CCn1ncc(NCc2c([O-])cccc2Cl)c1C ZINC000873196300 634281494 /nfs/dbraw/zinc/28/14/94/634281494.db2.gz RRZDGQWCBVITPX-UHFFFAOYSA-N -1 3 265.744 3.183 20 10 CGCDHM CC(C)[C@@H]1N(C(=O)c2cccc(O)c2[O-])CC12CCCC2 ZINC000837193033 634868837 /nfs/dbraw/zinc/86/88/37/634868837.db2.gz YLHIIXRCVPTBPQ-HNNXBMFYSA-N -1 3 289.375 3.139 20 10 CGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1Cl ZINC000126312137 634959716 /nfs/dbraw/zinc/95/97/16/634959716.db2.gz YKDVPJKQVKQOJI-SECBINFHSA-N -1 3 291.734 3.242 20 10 CGCDHM [O-]c1c(CNc2cc3c(cn2)CCC3)ccc(F)c1F ZINC000877553756 635086708 /nfs/dbraw/zinc/08/67/08/635086708.db2.gz XOXZPOSDBCZAHD-UHFFFAOYSA-N -1 3 276.286 3.166 20 10 CGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])C1CCC(F)(F)CC1 ZINC000848347453 636561296 /nfs/dbraw/zinc/56/12/96/636561296.db2.gz QOIBNUCHZXVTPG-SECBINFHSA-N -1 3 299.317 3.042 20 10 CGCDHM COC[C@@H](N[C@H](C)c1c([O-])cccc1F)c1ccc(C)o1 ZINC000886534824 637560660 /nfs/dbraw/zinc/56/06/60/637560660.db2.gz PEDDAPTUOJLQKG-DGCLKSJQSA-N -1 3 293.338 3.471 20 10 CGCDHM CCCn1cc(N[C@@H](C)c2c([O-])cccc2F)cn1 ZINC000886576437 637586162 /nfs/dbraw/zinc/58/61/62/637586162.db2.gz GJEOODAXAACLEL-JTQLQIEISA-N -1 3 263.316 3.311 20 10 CGCDHM C[C@@H](Nc1ccc(CCO)cc1)c1c([O-])cccc1F ZINC000886576533 637586589 /nfs/dbraw/zinc/58/65/89/637586589.db2.gz IPXVHCUZXQGOJD-LLVKDONJSA-N -1 3 275.323 3.239 20 10 CGCDHM C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1c([O-])cccc1F ZINC000886620090 637613477 /nfs/dbraw/zinc/61/34/77/637613477.db2.gz BPKPMEHZIGBKQT-JBLDHEPKSA-N -1 3 275.327 3.084 20 10 CGCDHM C[C@@H](N[C@@H]1COCc2ccccc21)c1c([O-])cccc1F ZINC000886626707 637615773 /nfs/dbraw/zinc/61/57/73/637615773.db2.gz JCTRYJMQKYYCEG-IAQYHMDHSA-N -1 3 287.334 3.453 20 10 CGCDHM C[C@@H](Nc1cnn2c1CCCC2)c1c([O-])cccc1F ZINC000886645132 637626815 /nfs/dbraw/zinc/62/68/15/637626815.db2.gz RTPWBGDRHUGFHA-SNVBAGLBSA-N -1 3 275.327 3.237 20 10 CGCDHM Cc1nccnc1[C@H](C)N[C@H](C)c1c([O-])cccc1F ZINC000886650637 637629928 /nfs/dbraw/zinc/62/99/28/637629928.db2.gz ZZFUVRDFGABYLE-KOLCDFICSA-N -1 3 275.327 3.042 20 10 CGCDHM Cc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C)c([O-])c1O ZINC000854322272 638043401 /nfs/dbraw/zinc/04/34/01/638043401.db2.gz CKZBTZNETAZSHL-LBPRGKRZSA-N -1 3 297.354 3.388 20 10 CGCDHM CC[C@@H](NCc1c([O-])cccc1Br)C(F)F ZINC000858171331 638649729 /nfs/dbraw/zinc/64/97/29/638649729.db2.gz VEOWRIOFJKWUIG-SECBINFHSA-N -1 3 294.139 3.288 20 10 CGCDHM COc1cc(N[C@H](C)c2ccc(F)cc2[O-])cnc1OC ZINC000858481276 638734744 /nfs/dbraw/zinc/73/47/44/638734744.db2.gz GOBPJRQMLGCOAX-SECBINFHSA-N -1 3 292.310 3.117 20 10 CGCDHM CC(C)(CC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000928707157 638889490 /nfs/dbraw/zinc/88/94/90/638889490.db2.gz BIFLTHPHFZKQMH-UHFFFAOYSA-N -1 3 293.260 3.126 20 10 CGCDHM CCCCCCC(=O)NCc1c([O-])cccc1F ZINC000928711198 638889647 /nfs/dbraw/zinc/88/96/47/638889647.db2.gz HESPNZWDPDFXPM-UHFFFAOYSA-N -1 3 253.317 3.118 20 10 CGCDHM CSCc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000193012802 640426123 /nfs/dbraw/zinc/42/61/23/640426123.db2.gz PHKSMBRHWRJTCH-UHFFFAOYSA-N -1 3 289.356 3.213 20 10 CGCDHM C[C@@H](NCC(C)(F)F)c1ccc(Br)cc1[O-] ZINC000378793903 799344215 /nfs/dbraw/zinc/34/42/15/799344215.db2.gz OTJYCBRJXBLXFU-SSDOTTSWSA-N -1 3 294.139 3.461 20 10 CGCDHM [O-]c1c(Br)cccc1CN1CCC(F)CC1 ZINC000689909666 799770522 /nfs/dbraw/zinc/77/05/22/799770522.db2.gz RFUOROYARQYLKR-UHFFFAOYSA-N -1 3 288.160 3.089 20 10 CGCDHM [O-]c1cccc(F)c1CN1CCc2cc(F)ccc2C1 ZINC001137839733 803780745 /nfs/dbraw/zinc/78/07/45/803780745.db2.gz HWSFDMITLRXBSB-UHFFFAOYSA-N -1 3 275.298 3.229 20 10 CGCDHM Cc1ncccc1CN(C)Cc1c([O-])cccc1Cl ZINC001140341945 804420796 /nfs/dbraw/zinc/42/07/96/804420796.db2.gz LVQNMRJVHHFIAN-UHFFFAOYSA-N -1 3 276.767 3.381 20 10 CGCDHM C[C@]1(F)CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140462891 804441281 /nfs/dbraw/zinc/44/12/81/804441281.db2.gz NKIGFRTUIPKLGT-ZDUSSCGKSA-N -1 3 257.736 3.370 20 10 CGCDHM [O-]c1cc(F)cc(F)c1CN1CC(c2ccccc2)C1 ZINC001140583678 804468655 /nfs/dbraw/zinc/46/86/55/804468655.db2.gz QPVGNXYROBEOHS-UHFFFAOYSA-N -1 3 275.298 3.270 20 10 CGCDHM Cc1cc(Cl)c(NC(=O)c2cccc(O)c2[O-])cc1O ZINC001148219147 805167771 /nfs/dbraw/zinc/16/77/71/805167771.db2.gz UTUPICBMGDVYOF-UHFFFAOYSA-N -1 3 293.706 3.018 20 10 CGCDHM Cc1ccc(NCc2c([O-])cccc2F)c([N+](=O)[O-])c1 ZINC001187676786 810414984 /nfs/dbraw/zinc/41/49/84/810414984.db2.gz DUEQWKLMZFWEAE-UHFFFAOYSA-N -1 3 276.267 3.360 20 10 CGCDHM CCC1(C)CN(Cc2ccc(Br)cc2[O-])C1 ZINC001206194521 813234759 /nfs/dbraw/zinc/23/47/59/813234759.db2.gz HSOOYBHJUJEKLQ-UHFFFAOYSA-N -1 3 284.197 3.387 20 10 CGCDHM O=C1c2cccc([O-])c2C(=O)c2c(OC3CCC3)cccc21 ZINC001226379358 817339910 /nfs/dbraw/zinc/33/99/10/817339910.db2.gz DANOPQQNNDBELU-UHFFFAOYSA-N -1 3 294.306 3.099 20 10 CGCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001231452276 818102645 /nfs/dbraw/zinc/10/26/45/818102645.db2.gz JUZXBWJRXCHWAY-MRXNPFEDSA-N -1 3 297.354 3.428 20 10 CGCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC001231452276 818102651 /nfs/dbraw/zinc/10/26/51/818102651.db2.gz JUZXBWJRXCHWAY-MRXNPFEDSA-N -1 3 297.354 3.428 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001231566469 818124118 /nfs/dbraw/zinc/12/41/18/818124118.db2.gz LSRBATKIWZYWIB-TZMCWYRMSA-N -1 3 289.375 3.103 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001231566469 818124125 /nfs/dbraw/zinc/12/41/25/818124125.db2.gz LSRBATKIWZYWIB-TZMCWYRMSA-N -1 3 289.375 3.103 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC001231561341 818124829 /nfs/dbraw/zinc/12/48/29/818124829.db2.gz SGXWTJHPCABDIP-HNNXBMFYSA-N -1 3 297.354 3.080 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC001231561341 818124836 /nfs/dbraw/zinc/12/48/36/818124836.db2.gz SGXWTJHPCABDIP-HNNXBMFYSA-N -1 3 297.354 3.080 20 10 CGCDHM CC1(O)CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236793224 819597031 /nfs/dbraw/zinc/59/70/31/819597031.db2.gz JPJVNJDEQQINGZ-UHFFFAOYSA-N -1 3 290.190 3.046 20 10 CGCDHM C[C@@H]1CC[C@H](O)CN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236793418 819598106 /nfs/dbraw/zinc/59/81/06/819598106.db2.gz KOUVOPKJIODOFF-SCZZXKLOSA-N -1 3 290.190 3.044 20 10 CGCDHM CN(Cc1c([O-])ccc(F)c1Cl)C[C@H]1CCCCO1 ZINC001237127081 819672988 /nfs/dbraw/zinc/67/29/88/819672988.db2.gz UEJBSRXJTNBCDS-SNVBAGLBSA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(CF)CC1 ZINC001237620728 819788890 /nfs/dbraw/zinc/78/88/90/819788890.db2.gz PBMMCMIXFPDKLO-UHFFFAOYSA-N -1 3 275.726 3.366 20 10 CGCDHM [O-]c1cc(Cl)c(F)cc1CN1CCC(F)CC1 ZINC001237935235 819889041 /nfs/dbraw/zinc/88/90/41/819889041.db2.gz SPQKNLBAIJEKQO-UHFFFAOYSA-N -1 3 261.699 3.119 20 10 CGCDHM COC[C@@H]1CCCCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237935836 819889353 /nfs/dbraw/zinc/88/93/53/819889353.db2.gz ZOWCEAHTYDSJNX-NSHDSACASA-N -1 3 287.762 3.186 20 10 CGCDHM CN(Cc1cccnc1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237946347 819893285 /nfs/dbraw/zinc/89/32/85/819893285.db2.gz JESFLDDRIXRDOR-UHFFFAOYSA-N -1 3 280.730 3.212 20 10 CGCDHM CC(C)CCCCCCNC(=O)c1cccc(O)c1[O-] ZINC000232598186 928206365 /nfs/dbraw/zinc/20/63/65/928206365.db2.gz HSLUSJNNODIARQ-UHFFFAOYSA-N -1 3 279.380 3.434 20 10 CGCDHM CC1(C)CCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC001228895866 932046807 /nfs/dbraw/zinc/04/68/07/932046807.db2.gz MZKFTPBZXMKPCU-LLVKDONJSA-N -1 3 294.370 3.157 20 10 CGCDHM Cc1cc(F)cc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001310419314 933255177 /nfs/dbraw/zinc/25/51/77/933255177.db2.gz PYEBSYKXLYBFID-UHFFFAOYSA-N -1 3 292.285 3.301 20 10 CGCDHM COc1ccc(F)cc1CNCc1ccc(F)c(F)c1[O-] ZINC001474463816 937861412 /nfs/dbraw/zinc/86/14/12/937861412.db2.gz AANADEIGWXLIKB-UHFFFAOYSA-N -1 3 297.276 3.108 20 10 CGCDHM C/C(=C/C(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001558454220 938215610 /nfs/dbraw/zinc/21/56/10/938215610.db2.gz BVYMQLVGVHHUNX-BENRWUELSA-N -1 3 285.318 3.251 20 10 CGCDHM C[C@@H]([NH2+]C[C@H](C)C(C)(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593240704 994430583 /nfs/dbraw/zinc/43/05/83/994430583.db2.gz RNXUWHTVKRBSDK-WDEREUQCSA-N -1 3 279.380 3.423 20 10 CGCDHM C[C@H]([NH2+]CCC(C)(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593261201 994548092 /nfs/dbraw/zinc/54/80/92/994548092.db2.gz KXVXOHUQLXZIPK-JTQLQIEISA-N -1 3 265.353 3.177 20 10 CGCDHM [O-]c1ccccc1CN1CCc2[nH]c3ccccc3c2C1 ZINC000179555007 346253270 /nfs/dbraw/zinc/25/32/70/346253270.db2.gz ZXXSGTOIESTTDH-UHFFFAOYSA-N -1 3 278.355 3.432 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@H](O)C12CCCC2 ZINC000293973922 372542803 /nfs/dbraw/zinc/54/28/03/372542803.db2.gz QWUDVIHJTXLRLA-AWEZNQCLSA-N -1 3 299.773 3.064 20 10 CGCDHM CCn1cc([C@H](C)N[C@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000295824399 372923018 /nfs/dbraw/zinc/92/30/18/372923018.db2.gz BZHKHLBXMJQMNE-VHSXEESVSA-N -1 3 295.333 3.299 20 10 CGCDHM COC[C@@H](N[C@H]1CCc2cccc([O-])c21)c1ccc(C)o1 ZINC000297516802 373274859 /nfs/dbraw/zinc/27/48/59/373274859.db2.gz CWORKZVUKVTSSJ-UONOGXRCSA-N -1 3 287.359 3.258 20 10 CGCDHM Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2C)c([O-])c1O ZINC000182394807 374268289 /nfs/dbraw/zinc/26/82/89/374268289.db2.gz DMTLZLGKNWZQQI-GFCCVEGCSA-N -1 3 297.354 3.166 20 10 CGCDHM Cc1cc(Cl)cc(CN[C@@H](CCO)c2ccco2)c1[O-] ZINC000187528728 375036113 /nfs/dbraw/zinc/03/61/13/375036113.db2.gz GJOGCJGCEMWJRR-ZDUSSCGKSA-N -1 3 295.766 3.160 20 10 CGCDHM CO[C@@H](C)c1nc(CN[C@@H](C)c2ccccc2[O-])cs1 ZINC000271724915 378502213 /nfs/dbraw/zinc/50/22/13/378502213.db2.gz YPTFSSRWHGDZIK-QWRGUYRKSA-N -1 3 292.404 3.407 20 10 CGCDHM [O-]c1c(F)cccc1CN1CC=C(C(F)(F)F)CC1 ZINC000272332568 378614119 /nfs/dbraw/zinc/61/41/19/378614119.db2.gz WTZDMNRYWJBWNT-UHFFFAOYSA-N -1 3 275.245 3.226 20 10 CGCDHM C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1ccccc1[O-] ZINC000272800512 378706608 /nfs/dbraw/zinc/70/66/08/378706608.db2.gz BKBDGIPAGUJMBJ-HZMBPMFUSA-N -1 3 293.313 3.055 20 10 CGCDHM CCC(CC)c1nnc(NC(=O)c2cc([O-])cs2)s1 ZINC000731867969 572433005 /nfs/dbraw/zinc/43/30/05/572433005.db2.gz FMQCZIFVEUEPIG-UHFFFAOYSA-N -1 3 297.405 3.461 20 10 CGCDHM Cc1ccc(C(=O)N(C)[C@H](C)C2CCCCC2)c([O-])c1O ZINC000282468239 379926431 /nfs/dbraw/zinc/92/64/31/379926431.db2.gz KMXMIYXNGBASKC-GFCCVEGCSA-N -1 3 291.391 3.447 20 10 CGCDHM CC[C@H](N[C@@H](CCO)c1ccco1)c1ccc(F)cc1[O-] ZINC000285903253 380153293 /nfs/dbraw/zinc/15/32/93/380153293.db2.gz BLABSLDUPMXQGA-KBPBESRZSA-N -1 3 293.338 3.289 20 10 CGCDHM C[C@H]1CCC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000732276733 572457163 /nfs/dbraw/zinc/45/71/63/572457163.db2.gz ZFLDFWWUDMBNGK-UWVGGRQHSA-N -1 3 253.367 3.010 20 10 CGCDHM C[C@@H]1CC[C@H](NC(=O)c2cc([O-])cs2)[C@@H](C)C1 ZINC000733363623 572559269 /nfs/dbraw/zinc/55/92/69/572559269.db2.gz AGAXQQYCOZORGR-YWVKMMECSA-N -1 3 253.367 3.008 20 10 CGCDHM CN(Cc1nc2c(s1)CCCC2)Cc1ccccc1[O-] ZINC000179573751 392704731 /nfs/dbraw/zinc/70/47/31/392704731.db2.gz JFACQYZZAXODOP-UHFFFAOYSA-N -1 3 288.416 3.360 20 10 CGCDHM CC[C@@H](N[C@H](CCO)c1ccco1)c1ccc(F)cc1[O-] ZINC000285903263 263096284 /nfs/dbraw/zinc/09/62/84/263096284.db2.gz BLABSLDUPMXQGA-ZIAGYGMSSA-N -1 3 293.338 3.289 20 10 CGCDHM C[C@@H](N[C@H]1CCc2cccc([O-])c21)c1c(F)cncc1F ZINC000297348417 278387408 /nfs/dbraw/zinc/38/74/08/278387408.db2.gz PAISRGGRKTTYBY-RNCFNFMXSA-N -1 3 290.313 3.404 20 10 CGCDHM [O-]c1ccc(Cl)cc1CNCc1noc2c1CCCC2 ZINC000377398437 329014239 /nfs/dbraw/zinc/01/42/39/329014239.db2.gz MDEAKDYFLCGUQF-UHFFFAOYSA-N -1 3 292.766 3.202 20 10 CGCDHM CC[C@H](C)c1nnc([C@H](C)NCc2cccc(F)c2[O-])[nH]1 ZINC000277327957 522053423 /nfs/dbraw/zinc/05/34/23/522053423.db2.gz UFCMBCJZQTVDHO-UWVGGRQHSA-N -1 3 292.358 3.014 20 10 CGCDHM CC[C@H](C)c1nc([C@H](C)NCc2cccc(F)c2[O-])n[nH]1 ZINC000277327957 522053430 /nfs/dbraw/zinc/05/34/30/522053430.db2.gz UFCMBCJZQTVDHO-UWVGGRQHSA-N -1 3 292.358 3.014 20 10 CGCDHM Cc1nn(C)c(C)c1N[C@H](C)c1cc(F)ccc1[O-] ZINC000094616898 527650749 /nfs/dbraw/zinc/65/07/49/527650749.db2.gz YDWQRBLBBUPNTP-MRVPVSSYSA-N -1 3 263.316 3.055 20 10 CGCDHM O=C(OCc1ccccc1Cl)c1cc([O-])cs1 ZINC000731910913 572436000 /nfs/dbraw/zinc/43/60/00/572436000.db2.gz WRLHZOZKHVDKMV-UHFFFAOYSA-N -1 3 268.721 3.464 20 10 CGCDHM O=C(OC/C=C\c1ccccc1)c1cc([O-])cs1 ZINC000731910611 572436325 /nfs/dbraw/zinc/43/63/25/572436325.db2.gz UCQQKEJNGACLHO-DAXSKMNVSA-N -1 3 260.314 3.324 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000732275740 572457134 /nfs/dbraw/zinc/45/71/34/572457134.db2.gz ALWLXTOTXACFHV-CYBMUJFWSA-N -1 3 289.356 3.137 20 10 CGCDHM O=C(NC12CC3CC(CC(C3)C1)C2)c1cc([O-])cs1 ZINC000732257704 572457931 /nfs/dbraw/zinc/45/79/31/572457931.db2.gz YPMAQVIDKQKMLT-UHFFFAOYSA-N -1 3 277.389 3.152 20 10 CGCDHM CO[C@@H](C)c1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000732282317 572458204 /nfs/dbraw/zinc/45/82/04/572458204.db2.gz FKWYFEBFAUAPCT-VIFPVBQESA-N -1 3 277.345 3.413 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CC[C@H](c2ccccc2F)C1 ZINC000732290065 572459046 /nfs/dbraw/zinc/45/90/46/572459046.db2.gz PMQBNDKPCLOZKC-JTQLQIEISA-N -1 3 291.347 3.223 20 10 CGCDHM CC(C)c1cnc(CN(C)Cc2ccccc2[O-])o1 ZINC000733310491 572553478 /nfs/dbraw/zinc/55/34/78/572553478.db2.gz SKIJQDKGSQZURM-UHFFFAOYSA-N -1 3 260.337 3.136 20 10 CGCDHM C[C@H](CNC(=O)c1cc([O-])cs1)Sc1ccccc1 ZINC000743731643 572680091 /nfs/dbraw/zinc/68/00/91/572680091.db2.gz TVVUNLILLGTDKJ-SNVBAGLBSA-N -1 3 293.413 3.364 20 10 CGCDHM CC(C)c1cnc(NC(=O)c2cc([O-])cs2)s1 ZINC000743712702 572680291 /nfs/dbraw/zinc/68/02/91/572680291.db2.gz UPCBXQNXIVAPKH-UHFFFAOYSA-N -1 3 268.363 3.286 20 10 CGCDHM CC(C)(C)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000734864795 572689789 /nfs/dbraw/zinc/68/97/89/572689789.db2.gz HGIDEAOHWGQKHH-UHFFFAOYSA-N -1 3 267.394 3.352 20 10 CGCDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)[C@@H]2CCCC[C@H]12 ZINC000749542451 573018920 /nfs/dbraw/zinc/01/89/20/573018920.db2.gz HIZAESPBPLGXRZ-RAIGVLPGSA-N -1 3 279.405 3.495 20 10 CGCDHM COc1ccc(CN(C)Cc2cc(F)cc(F)c2[O-])cc1 ZINC000893881487 619326692 /nfs/dbraw/zinc/32/66/92/619326692.db2.gz UZZFUBQYMQRNKH-UHFFFAOYSA-N -1 3 293.313 3.311 20 10 CGCDHM Cc1cc(NCc2c([O-])cccc2F)nc(C2CC2)n1 ZINC000895832157 619894533 /nfs/dbraw/zinc/89/45/33/619894533.db2.gz CINLOVWBPUXRLK-UHFFFAOYSA-N -1 3 273.311 3.119 20 10 CGCDHM Cc1cnc(CN[C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000185569008 625386227 /nfs/dbraw/zinc/38/62/27/625386227.db2.gz WWLKWVCJCGGLTJ-VIFPVBQESA-N -1 3 266.341 3.147 20 10 CGCDHM CSc1ccccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000179406216 621178010 /nfs/dbraw/zinc/17/80/10/621178010.db2.gz UXXHNBXRPZNUKL-UHFFFAOYSA-N -1 3 289.356 3.380 20 10 CGCDHM CSc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000188112262 626182384 /nfs/dbraw/zinc/18/23/84/626182384.db2.gz ODNNHEHQJXUQRN-UHFFFAOYSA-N -1 3 275.329 3.072 20 10 CGCDHM CC[C@@H](NCc1cnc(C)o1)c1ccc(F)cc1[O-] ZINC000840795171 626251778 /nfs/dbraw/zinc/25/17/78/626251778.db2.gz VIVRCCFAFKJMPH-CYBMUJFWSA-N -1 3 264.300 3.069 20 10 CGCDHM [O-]c1c(CN2CC(OCC(F)F)C2)ccc2ccccc21 ZINC000839138751 626322462 /nfs/dbraw/zinc/32/24/62/626322462.db2.gz TYMZVZCVHABFSO-UHFFFAOYSA-N -1 3 293.313 3.011 20 10 CGCDHM C[C@@H](N[C@H](C)c1cc(F)cc(F)c1[O-])c1ccccn1 ZINC000756344202 626693805 /nfs/dbraw/zinc/69/38/05/626693805.db2.gz SEHNZCSTVSNIQN-NXEZZACHSA-N -1 3 278.302 3.477 20 10 CGCDHM CC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792157557 629341713 /nfs/dbraw/zinc/34/17/13/629341713.db2.gz YMGOYRLDAYCUGP-UHFFFAOYSA-N -1 3 257.736 3.417 20 10 CGCDHM CC1=CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792166159 629342508 /nfs/dbraw/zinc/34/25/08/629342508.db2.gz PPFOLSJBUYSCKK-UHFFFAOYSA-N -1 3 255.720 3.337 20 10 CGCDHM CC[C@@H](NCc1cscn1)c1ccc(F)cc1[O-] ZINC000796736263 629823390 /nfs/dbraw/zinc/82/33/90/629823390.db2.gz CRNKPKHFEGBARK-GFCCVEGCSA-N -1 3 266.341 3.229 20 10 CGCDHM C[C@@H](NC1(C(F)F)CC1)c1cc(Cl)ccc1[O-] ZINC000800502194 630288834 /nfs/dbraw/zinc/28/88/34/630288834.db2.gz OSWDWCOSICGYII-SSDOTTSWSA-N -1 3 261.699 3.494 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1ccc(F)cn1 ZINC000816557279 632011979 /nfs/dbraw/zinc/01/19/79/632011979.db2.gz KNDNKMPAPLSZDZ-UHFFFAOYSA-N -1 3 284.693 3.009 20 10 CGCDHM CC1(C)Cc2ccccc2N(C(=O)c2cccc(O)c2[O-])C1 ZINC000816901371 632059651 /nfs/dbraw/zinc/05/96/51/632059651.db2.gz KRJPCKVMHODHFY-UHFFFAOYSA-N -1 3 297.354 3.327 20 10 CGCDHM CCc1ncc(CNCc2cc(Cl)cc(F)c2[O-])o1 ZINC000825079146 633326024 /nfs/dbraw/zinc/32/60/24/633326024.db2.gz MIHZOQVROOCWOT-UHFFFAOYSA-N -1 3 284.718 3.025 20 10 CGCDHM C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@H](C)O1 ZINC000827371373 633486099 /nfs/dbraw/zinc/48/60/99/633486099.db2.gz SOEUHHYPPZJAHC-ZJUUUORDSA-N -1 3 287.762 3.184 20 10 CGCDHM CCC1CN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000835075750 634343057 /nfs/dbraw/zinc/34/30/57/634343057.db2.gz ZKYDRAGLGHFCGF-UHFFFAOYSA-N -1 3 284.197 3.305 20 10 CGCDHM CCCc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000126251835 634936559 /nfs/dbraw/zinc/93/65/59/634936559.db2.gz LEIITJPYTNIMMQ-UHFFFAOYSA-N -1 3 271.316 3.303 20 10 CGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(Cl)c1 ZINC000126312589 634959381 /nfs/dbraw/zinc/95/93/81/634959381.db2.gz XUQLSWXTUFJDHT-SECBINFHSA-N -1 3 291.734 3.242 20 10 CGCDHM C[C@@H](N[C@@H](C)c1csnn1)c1cc(Cl)ccc1[O-] ZINC000840885895 635073865 /nfs/dbraw/zinc/07/38/65/635073865.db2.gz HXFMHMABKKDGAU-SFYZADRCSA-N -1 3 283.784 3.309 20 10 CGCDHM C[C@H](N[C@@H](C)c1ccc(Cl)cc1[O-])c1csnn1 ZINC000841754760 635228810 /nfs/dbraw/zinc/22/88/10/635228810.db2.gz DCRHEDIWQYSQDF-YUMQZZPRSA-N -1 3 283.784 3.309 20 10 CGCDHM Cc1nccnc1[C@@H](C)NCc1cc(Cl)cc(F)c1[O-] ZINC000877828442 635230244 /nfs/dbraw/zinc/23/02/44/635230244.db2.gz JRYGRRGMTSWOIX-SECBINFHSA-N -1 3 295.745 3.134 20 10 CGCDHM CCc1nnc(CN[C@@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841758335 635231073 /nfs/dbraw/zinc/23/10/73/635231073.db2.gz SHIBIHYECCABLD-QMMMGPOBSA-N -1 3 297.811 3.310 20 10 CGCDHM Cc1ccc2c(c1)N[C@H](c1cc(Cl)ccc1[O-])NC2=O ZINC000877864245 635245367 /nfs/dbraw/zinc/24/53/67/635245367.db2.gz OFXVEQGIJDAMDV-AWEZNQCLSA-N -1 3 288.734 3.208 20 10 CGCDHM CCc1cnc(CN[C@H](C)c2c([O-])cccc2F)s1 ZINC000886535347 637562105 /nfs/dbraw/zinc/56/21/05/637562105.db2.gz YTZPDBLSQZFBIR-SECBINFHSA-N -1 3 280.368 3.401 20 10 CGCDHM C[C@H](N[C@H](CO)c1cccc(F)c1)c1c([O-])cccc1F ZINC000886548140 637574051 /nfs/dbraw/zinc/57/40/51/637574051.db2.gz XWKSKYNKICCJJX-IINYFYTJSA-N -1 3 293.313 3.055 20 10 CGCDHM CC(C)c1nnc([C@H](C)N[C@@H](C)c2c([O-])cccc2F)[nH]1 ZINC000886558652 637581887 /nfs/dbraw/zinc/58/18/87/637581887.db2.gz PBJDJXCTHZOKNO-UWVGGRQHSA-N -1 3 292.358 3.185 20 10 CGCDHM C[C@@H](N[C@@H](C)c1cncc(F)c1)c1c([O-])cccc1F ZINC000886588102 637595630 /nfs/dbraw/zinc/59/56/30/637595630.db2.gz LGGYRFRFDXZILN-VHSXEESVSA-N -1 3 278.302 3.477 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(C)CC2)c1[O-] ZINC000037322532 798866257 /nfs/dbraw/zinc/86/62/57/798866257.db2.gz FMMDUTOLHPJUPL-UHFFFAOYSA-N -1 3 281.783 3.480 20 10 CGCDHM CC[C@H]1CN(Cc2cc(Cl)ccc2[O-])[C@@H](C)CO1 ZINC000403863307 799572503 /nfs/dbraw/zinc/57/25/03/799572503.db2.gz ZXHZBJGGLWCBMZ-GWCFXTLKSA-N -1 3 269.772 3.045 20 10 CGCDHM CC(C)OC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703439966 799924385 /nfs/dbraw/zinc/92/43/85/799924385.db2.gz VTLPZYFKLKVIMW-UHFFFAOYSA-N -1 3 285.334 3.060 20 10 CGCDHM C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CC(C)(C)C1 ZINC000709391731 800008030 /nfs/dbraw/zinc/00/80/30/800008030.db2.gz IHRNXBHSTNNPGD-WDEREUQCSA-N -1 3 277.364 3.042 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CC2(C1)CCCCC2 ZINC001142527556 804733506 /nfs/dbraw/zinc/73/35/06/804733506.db2.gz ZAOXSVSEUBTXKQ-UHFFFAOYSA-N -1 3 267.319 3.437 20 10 CGCDHM Cc1occc1CN(C)Cc1cc(F)c(F)cc1[O-] ZINC001180173859 809981551 /nfs/dbraw/zinc/98/15/51/809981551.db2.gz HIXUDQGXMMRUMT-UHFFFAOYSA-N -1 3 267.275 3.204 20 10 CGCDHM CC(C)(C)[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])CCO1 ZINC001184374277 810196723 /nfs/dbraw/zinc/19/67/23/810196723.db2.gz LFMCNSRJKQIVIR-CQSZACIVSA-N -1 3 299.361 3.307 20 10 CGCDHM COc1cncc(NCc2c([O-])cccc2Cl)c1 ZINC001203339957 812315420 /nfs/dbraw/zinc/31/54/20/812315420.db2.gz RUYALQWEVULNRG-UHFFFAOYSA-N -1 3 264.712 3.061 20 10 CGCDHM CCC[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231563735 818124479 /nfs/dbraw/zinc/12/44/79/818124479.db2.gz KVKNKEFDVRTMTJ-AWEZNQCLSA-N -1 3 277.364 3.245 20 10 CGCDHM CCC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231563735 818124483 /nfs/dbraw/zinc/12/44/83/818124483.db2.gz KVKNKEFDVRTMTJ-AWEZNQCLSA-N -1 3 277.364 3.245 20 10 CGCDHM Cc1cc([O-])c(CN2CCc3ccncc3C2)cc1Cl ZINC001231870777 818193162 /nfs/dbraw/zinc/19/31/62/818193162.db2.gz SLKYZJLXJKNWHH-UHFFFAOYSA-N -1 3 288.778 3.307 20 10 CGCDHM O=C1CCCN(Cc2ccc3ccccc3c2[O-])C[C@H]1F ZINC001231879671 818200571 /nfs/dbraw/zinc/20/05/71/818200571.db2.gz NDGGARXRJOCFMK-OAHLLOKOSA-N -1 3 287.334 3.048 20 10 CGCDHM CN(Cc1ccsc1)Cc1c([O-])ccc(F)c1F ZINC001233335428 818587650 /nfs/dbraw/zinc/58/76/50/818587650.db2.gz VAWCMWOZKQFGHV-UHFFFAOYSA-N -1 3 269.316 3.364 20 10 CGCDHM CN(Cc1ccncc1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416005 818615280 /nfs/dbraw/zinc/61/52/80/818615280.db2.gz SAIVXNLAOLNINJ-UHFFFAOYSA-N -1 3 296.292 3.438 20 10 CGCDHM CCO[C@H]1CCCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237124451 819673556 /nfs/dbraw/zinc/67/35/56/819673556.db2.gz LUSGMCZUKJJQJF-JTQLQIEISA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001237617983 819787128 /nfs/dbraw/zinc/78/71/28/819787128.db2.gz WCSWVTRFMWDWNB-HZMBPMFUSA-N -1 3 299.773 3.186 20 10 CGCDHM CO[C@@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])[C@H](C)C1 ZINC001237801860 819844387 /nfs/dbraw/zinc/84/43/87/819844387.db2.gz JFEUGGFSRWZVPA-BXKDBHETSA-N -1 3 287.762 3.184 20 10 CGCDHM Cc1cccc(C)c1C(=O)NCc1c([O-])cccc1F ZINC001456031097 937424883 /nfs/dbraw/zinc/42/48/83/937424883.db2.gz WXVQXGNSVPCACG-UHFFFAOYSA-N -1 3 273.307 3.078 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1Cc2ccc(O)cc2C1 ZINC001462454536 937642634 /nfs/dbraw/zinc/64/26/34/937642634.db2.gz SVBFQPDVEQKNLY-UHFFFAOYSA-N -1 3 275.735 3.267 20 10 CGCDHM Cc1c(F)cccc1NC(=O)NCc1c([O-])cccc1F ZINC001310355283 933254366 /nfs/dbraw/zinc/25/43/66/933254366.db2.gz BNXSFSRHFVYAEQ-UHFFFAOYSA-N -1 3 292.285 3.301 20 10 CGCDHM Cc1cc(=O)[n-]c(C=Cc2ccc(N3CCCC3)cc2)n1 ZINC001324708007 934553333 /nfs/dbraw/zinc/55/33/33/934553333.db2.gz SCMOYOTYTQYKLO-RMKNXTFCSA-N -1 3 281.359 3.261 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1C[C@@H](CO)c2ccccc21 ZINC001474538609 937865787 /nfs/dbraw/zinc/86/57/87/937865787.db2.gz WFJSQNBQLUYRGL-LBPRGKRZSA-N -1 3 289.762 3.142 20 10 CGCDHM C[C@@H]1CCC[C@@H](C)C1NC(=O)NCc1c([O-])cccc1F ZINC001478811577 937911575 /nfs/dbraw/zinc/91/15/75/937911575.db2.gz UQRZJCYBTNGEFO-GHMZBOCLSA-N -1 3 294.370 3.155 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@H](C)OC(C)(C)C2)cc1Cl ZINC001560658560 938268511 /nfs/dbraw/zinc/26/85/11/938268511.db2.gz BSUJZMVDTGAWOE-NSHDSACASA-N -1 3 283.799 3.353 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@@H](C)OC(C)(C)C2)cc1Cl ZINC001560658559 938268613 /nfs/dbraw/zinc/26/86/13/938268613.db2.gz BSUJZMVDTGAWOE-LLVKDONJSA-N -1 3 283.799 3.353 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@H]1c1ccc[nH]1 ZINC001560701329 938271208 /nfs/dbraw/zinc/27/12/08/938271208.db2.gz JWJOQMTWQMOEOG-AWEZNQCLSA-N -1 3 278.302 3.336 20 10 CGCDHM Cc1cc([O-])c(CN2CCO[C@H](C(C)C)C2)c(Cl)c1 ZINC001560708041 938271778 /nfs/dbraw/zinc/27/17/78/938271778.db2.gz AILIAFISLNFZNY-HNNXBMFYSA-N -1 3 283.799 3.211 20 10 CGCDHM [O-]c1c(F)cccc1CNCc1cc(O)ccc1Cl ZINC001560987647 938288082 /nfs/dbraw/zinc/28/80/82/938288082.db2.gz SKVXBQJGRWLAIN-UHFFFAOYSA-N -1 3 281.714 3.180 20 10 CGCDHM CCC[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC001570340064 961953854 /nfs/dbraw/zinc/95/38/54/961953854.db2.gz TXSSPHMVCAGATP-OLZOCXBDSA-N -1 3 291.391 3.434 20 10 CGCDHM Nc1cccc2c1CN(Cc1cccc(Cl)c1[O-])CC2 ZINC001580459711 962723920 /nfs/dbraw/zinc/72/39/20/962723920.db2.gz OBTZDDVOUJPQSM-UHFFFAOYSA-N -1 3 288.778 3.186 20 10 CGCDHM CC[C@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1ccccc1[O-] ZINC000086735495 967574790 /nfs/dbraw/zinc/57/47/90/967574790.db2.gz YMYZVYQAQUNPSH-YIZWMMSDSA-N -1 3 277.364 3.076 20 10 CGCDHM C[C@H]([NH2+]Cc1csc(C(=O)[O-])c1)c1ccccc1[O-] ZINC001599901597 984841613 /nfs/dbraw/zinc/84/16/13/984841613.db2.gz LSBDEPCFLDMIRI-VIFPVBQESA-N -1 3 277.345 3.003 20 10 CGCDHM C[C@H]([NH2+][C@H]1CCCC1(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593224844 994342843 /nfs/dbraw/zinc/34/28/43/994342843.db2.gz RTZMHYUMHFRPJK-HZMBPMFUSA-N -1 3 277.364 3.320 20 10 CGCDHM C[C@@H]([NH2+]CCCC(C)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265722 994575178 /nfs/dbraw/zinc/57/51/78/994575178.db2.gz VYTYLAICVQGIJG-SECBINFHSA-N -1 3 287.306 3.176 20 10 CGCDHM CN(C)c1ccccc1CNCc1c([O-])cccc1Cl ZINC000265891964 346407730 /nfs/dbraw/zinc/40/77/30/346407730.db2.gz ZEBZBIVIDPHSFV-UHFFFAOYSA-N -1 3 290.794 3.401 20 10 CGCDHM [O-]c1cccc(Cl)c1CNCc1noc2c1CCCC2 ZINC000288379551 371735336 /nfs/dbraw/zinc/73/53/36/371735336.db2.gz FVFHEYRDNAONCZ-UHFFFAOYSA-N -1 3 292.766 3.202 20 10 CGCDHM Cc1ccc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)c([O-])c1O ZINC000180528785 374018530 /nfs/dbraw/zinc/01/85/30/374018530.db2.gz WYJRNCDRQZXPKF-OBJOEFQTSA-N -1 3 289.375 3.057 20 10 CGCDHM Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c([O-])c1O ZINC000181816536 374175820 /nfs/dbraw/zinc/17/58/20/374175820.db2.gz BXAHIIFMJUZYQQ-TZMCWYRMSA-N -1 3 289.375 3.201 20 10 CGCDHM Cc1ncsc1CN(C)Cc1c([O-])cccc1Cl ZINC000271139811 378461859 /nfs/dbraw/zinc/46/18/59/378461859.db2.gz CBTCKTOWNMIIPA-UHFFFAOYSA-N -1 3 282.796 3.443 20 10 CGCDHM CCCCCN(C(=O)c1ccc(C)c(O)c1[O-])C(C)C ZINC000271273510 378487105 /nfs/dbraw/zinc/48/71/05/378487105.db2.gz MISNMVNAAWOFSO-UHFFFAOYSA-N -1 3 279.380 3.447 20 10 CGCDHM C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1ccccc1[O-] ZINC000272800518 378706459 /nfs/dbraw/zinc/70/64/59/378706459.db2.gz BKBDGIPAGUJMBJ-YGRLFVJLSA-N -1 3 293.313 3.055 20 10 CGCDHM C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1ccccc1[O-] ZINC000272800516 378706731 /nfs/dbraw/zinc/70/67/31/378706731.db2.gz BKBDGIPAGUJMBJ-QMTHXVAHSA-N -1 3 293.313 3.055 20 10 CGCDHM CCN(Cc1cccs1)C(=O)c1cc([O-])cs1 ZINC000731867990 572432855 /nfs/dbraw/zinc/43/28/55/572432855.db2.gz GRERKPSSCVWVAO-UHFFFAOYSA-N -1 3 267.375 3.178 20 10 CGCDHM Cc1ccc([C@@H](C)NC(=O)c2cc([O-])cs2)s1 ZINC000732276358 572456900 /nfs/dbraw/zinc/45/69/00/572456900.db2.gz HWHFMBQTKATKSK-MRVPVSSYSA-N -1 3 267.375 3.315 20 10 CGCDHM Cc1ccc(C(=O)N2CCCC23CCCCC3)c([O-])c1O ZINC000367853160 382358491 /nfs/dbraw/zinc/35/84/91/382358491.db2.gz IQVQCXZWJILGQQ-UHFFFAOYSA-N -1 3 289.375 3.345 20 10 CGCDHM C[C@@H](N[C@@H](CCO)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000186558635 262098830 /nfs/dbraw/zinc/09/88/30/262098830.db2.gz CRPWLENWWKRMGF-MFKMUULPSA-N -1 3 295.766 3.413 20 10 CGCDHM C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(F)c(F)c1[O-] ZINC000276939653 328220536 /nfs/dbraw/zinc/22/05/36/328220536.db2.gz PITJATPSTCYGOB-PELKAZGASA-N -1 3 293.317 3.122 20 10 CGCDHM CC(C)c1noc([C@H](C)N(C)Cc2ccccc2[O-])n1 ZINC000109769832 519909418 /nfs/dbraw/zinc/90/94/18/519909418.db2.gz OAXYEUSSEBVBPR-NSHDSACASA-N -1 3 275.352 3.092 20 10 CGCDHM COCc1nc(CN[C@H](C)c2ccc(C)cc2[O-])cs1 ZINC000289717061 523204839 /nfs/dbraw/zinc/20/48/39/523204839.db2.gz JKSOUDJCPSDDNC-LLVKDONJSA-N -1 3 292.404 3.154 20 10 CGCDHM CN(Cc1nccs1)Cc1c([O-])cccc1Cl ZINC000129294174 523601238 /nfs/dbraw/zinc/60/12/38/523601238.db2.gz QVRJHTPZCTVPLH-UHFFFAOYSA-N -1 3 268.769 3.134 20 10 CGCDHM Cc1nc(C(C)(C)NCc2c([O-])ccc3ccccc32)no1 ZINC000729849835 571933823 /nfs/dbraw/zinc/93/38/23/571933823.db2.gz CKKRYTFWFJOBFH-UHFFFAOYSA-N -1 3 297.358 3.262 20 10 CGCDHM Cc1nc2cc(NC(=O)c3cc([O-])cs3)ccc2o1 ZINC000731864616 572430116 /nfs/dbraw/zinc/43/01/16/572430116.db2.gz AISGNKOLEOUATQ-UHFFFAOYSA-N -1 3 274.301 3.156 20 10 CGCDHM Cc1cc(C)cc(COC(=O)c2cc([O-])cs2)c1 ZINC000731909646 572436389 /nfs/dbraw/zinc/43/63/89/572436389.db2.gz HQSUKJOCCZGQSJ-UHFFFAOYSA-N -1 3 262.330 3.428 20 10 CGCDHM O=C(Nc1cnc(-c2ccccc2)nc1)c1cc([O-])cs1 ZINC000732266509 572454873 /nfs/dbraw/zinc/45/48/73/572454873.db2.gz DWAGETSMBLIZDO-UHFFFAOYSA-N -1 3 297.339 3.163 20 10 CGCDHM Cc1ccc([C@H](C)NC(=O)c2cc([O-])cs2)cc1 ZINC000732267507 572455278 /nfs/dbraw/zinc/45/52/78/572455278.db2.gz ISCSTCWDQUEEDK-JTQLQIEISA-N -1 3 261.346 3.253 20 10 CGCDHM CCCOc1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000732272704 572457171 /nfs/dbraw/zinc/45/71/71/572457171.db2.gz NJMOGWRJUCRVDH-UHFFFAOYSA-N -1 3 291.372 3.173 20 10 CGCDHM Cc1cccc2c1CC[C@@H]2NC(=O)c1cc([O-])cs1 ZINC000732288002 572458968 /nfs/dbraw/zinc/45/89/68/572458968.db2.gz LKCWCCNZJYDHQT-ZDUSSCGKSA-N -1 3 273.357 3.179 20 10 CGCDHM Cc1ccc(C[C@@H](C)NC(=O)c2cc([O-])cs2)c(C)c1 ZINC000732290665 572458972 /nfs/dbraw/zinc/45/89/72/572458972.db2.gz WBXIRPNPOOCABS-GFCCVEGCSA-N -1 3 289.400 3.432 20 10 CGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)c1ccc(F)cc1 ZINC000732353771 572461480 /nfs/dbraw/zinc/46/14/80/572461480.db2.gz VBSKTZVDSXQLHH-MRVPVSSYSA-N -1 3 294.303 3.021 20 10 CGCDHM O=C(NCc1coc2ccccc12)c1cc([O-])cs1 ZINC000734020518 572624780 /nfs/dbraw/zinc/62/47/80/572624780.db2.gz SJJJMPJQEUIVIT-UHFFFAOYSA-N -1 3 273.313 3.130 20 10 CGCDHM C[C@@H]1CCC[C@H](CCNC(=O)c2cc([O-])cs2)C1 ZINC000734558394 572665761 /nfs/dbraw/zinc/66/57/61/572665761.db2.gz SJIHIDQRGKHHDS-GHMZBOCLSA-N -1 3 267.394 3.400 20 10 CGCDHM CCC(CC)(CNC(=O)c1cc([O-])cs1)SC ZINC000743754197 572682105 /nfs/dbraw/zinc/68/21/05/572682105.db2.gz SKBNDIRTGLAAJO-UHFFFAOYSA-N -1 3 273.423 3.105 20 10 CGCDHM CN(Cc1cc2ccccc2o1)C(=O)c1cc([O-])cs1 ZINC000746701338 572892431 /nfs/dbraw/zinc/89/24/31/572892431.db2.gz JUVVELGMQLAGPC-UHFFFAOYSA-N -1 3 287.340 3.472 20 10 CGCDHM CCOc1ccccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000179406281 618781155 /nfs/dbraw/zinc/78/11/55/618781155.db2.gz BZDOXDVMYIVFLL-UHFFFAOYSA-N -1 3 287.315 3.057 20 10 CGCDHM C[C@H](NCc1nnc(C2CC2)s1)c1ccc(F)cc1[O-] ZINC000840891626 618920310 /nfs/dbraw/zinc/92/03/10/618920310.db2.gz RIFUHKBRESCPLB-QMMMGPOBSA-N -1 3 293.367 3.111 20 10 CGCDHM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@H](C)C1(F)F ZINC000895387753 619818530 /nfs/dbraw/zinc/81/85/30/619818530.db2.gz FDXRCWJTWJQPIY-IUCAKERBSA-N -1 3 291.288 3.394 20 10 CGCDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@@H](C)C1(F)F ZINC000895387754 619818564 /nfs/dbraw/zinc/81/85/64/619818564.db2.gz FDXRCWJTWJQPIY-RKDXNWHRSA-N -1 3 291.288 3.394 20 10 CGCDHM Cc1cc([O-])c(CN2CC[C@@H]2C(F)F)cc1Cl ZINC000895430484 619825011 /nfs/dbraw/zinc/82/50/11/619825011.db2.gz FOWVGTCBAPUBIV-SNVBAGLBSA-N -1 3 261.699 3.193 20 10 CGCDHM CCCC[C@@H](CCC)NC(=O)c1cccc(O)c1[O-] ZINC000229413139 623129152 /nfs/dbraw/zinc/12/91/52/623129152.db2.gz WJMWTCMHXVJPAC-LLVKDONJSA-N -1 3 265.353 3.187 20 10 CGCDHM CCc1onc(C)c1CNCc1c([O-])ccc(Cl)c1F ZINC000922984137 626113420 /nfs/dbraw/zinc/11/34/20/626113420.db2.gz UIMWRIBKDLIMGR-UHFFFAOYSA-N -1 3 298.745 3.333 20 10 CGCDHM Cc1occc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756483659 626708626 /nfs/dbraw/zinc/70/86/26/626708626.db2.gz UHKTYXKYWITZST-SECBINFHSA-N -1 3 276.292 3.053 20 10 CGCDHM O=C(NCc1ccc(C2CCC2)cc1)c1cccc(O)c1[O-] ZINC000757642422 626796925 /nfs/dbraw/zinc/79/69/25/626796925.db2.gz BDIMWAZFDSIYIV-UHFFFAOYSA-N -1 3 297.354 3.295 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN[C@H]1CCCc2c[nH]nc21 ZINC000776251710 628184662 /nfs/dbraw/zinc/18/46/62/628184662.db2.gz UUUCWKXDJLQCJT-LBPRGKRZSA-N -1 3 295.745 3.075 20 10 CGCDHM CCCC[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000776646548 628224074 /nfs/dbraw/zinc/22/40/74/628224074.db2.gz YLRXROZNNSFQRR-DGCLKSJQSA-N -1 3 277.364 3.187 20 10 CGCDHM Cc1ccccc1CC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000776647641 628224115 /nfs/dbraw/zinc/22/41/15/628224115.db2.gz KXHBGRASUMLTJZ-UHFFFAOYSA-N -1 3 299.370 3.157 20 10 CGCDHM O=C(Nc1ccc(O)c2ccccc12)c1cccc(O)c1[O-] ZINC000790496342 629213677 /nfs/dbraw/zinc/21/36/77/629213677.db2.gz KTYQQUFDUPNXLN-UHFFFAOYSA-N -1 3 295.294 3.209 20 10 CGCDHM CC(C)(C)CCCCNC(=O)c1cccc(O)c1[O-] ZINC000790648846 629223129 /nfs/dbraw/zinc/22/31/29/629223129.db2.gz KSOVBSRPQPXGFC-UHFFFAOYSA-N -1 3 265.353 3.044 20 10 CGCDHM Cc1ccc(CNCc2c([O-])ccc(Cl)c2F)cn1 ZINC000790948943 629242180 /nfs/dbraw/zinc/24/21/80/629242180.db2.gz NLNVOYBTTXMCPQ-UHFFFAOYSA-N -1 3 280.730 3.178 20 10 CGCDHM C[C@H]1C[C@H]1c1nnc(NCc2c([O-])cccc2Cl)o1 ZINC000865295726 630057476 /nfs/dbraw/zinc/05/74/76/630057476.db2.gz KOPFAEZFMVXRSG-JGVFFNPUSA-N -1 3 279.727 3.164 20 10 CGCDHM Cc1cc(Cl)cc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000817880838 632229518 /nfs/dbraw/zinc/22/95/18/632229518.db2.gz JREJPLNTUVQXTJ-WDEREUQCSA-N -1 3 297.782 3.039 20 10 CGCDHM Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000817880838 632229523 /nfs/dbraw/zinc/22/95/23/632229523.db2.gz JREJPLNTUVQXTJ-WDEREUQCSA-N -1 3 297.782 3.039 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H]1C1CC1 ZINC000824654415 633269862 /nfs/dbraw/zinc/26/98/62/633269862.db2.gz NWDZTCLBTHDAOE-GFCCVEGCSA-N -1 3 255.720 3.169 20 10 CGCDHM CCCCCC[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126305376 634956818 /nfs/dbraw/zinc/95/68/18/634956818.db2.gz HFEJRLIRAJBPAV-LLVKDONJSA-N -1 3 265.353 3.187 20 10 CGCDHM C[C@@H](c1ccccc1F)N(C)C(=O)c1cccc(O)c1[O-] ZINC000126396804 635008910 /nfs/dbraw/zinc/00/89/10/635008910.db2.gz DVEMKJNVAOMZNB-JTQLQIEISA-N -1 3 289.306 3.070 20 10 CGCDHM [O-]c1c(F)c(F)ccc1CN1CCCc2occc2C1 ZINC000877538149 635078316 /nfs/dbraw/zinc/07/83/16/635078316.db2.gz WUJSAIVNKYOYGY-UHFFFAOYSA-N -1 3 279.286 3.212 20 10 CGCDHM Cc1ccc2c(c1)N[C@@H](c1cc(Cl)ccc1[O-])NC2=O ZINC000877864246 635245197 /nfs/dbraw/zinc/24/51/97/635245197.db2.gz OFXVEQGIJDAMDV-CQSZACIVSA-N -1 3 288.734 3.208 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cc(C2CC2)no1 ZINC000886270633 637474742 /nfs/dbraw/zinc/47/47/42/637474742.db2.gz IWMFEJSAYGOUHB-UHFFFAOYSA-N -1 3 296.729 3.340 20 10 CGCDHM C[C@@H](N[C@@H](C)c1c([O-])cccc1F)c1ccccn1 ZINC000886489446 637539341 /nfs/dbraw/zinc/53/93/41/637539341.db2.gz IXNGJDJZTPJOFI-MNOVXSKESA-N -1 3 260.312 3.338 20 10 CGCDHM CCc1onc(C)c1CN[C@@H](C)c1c([O-])cccc1F ZINC000927130877 638845899 /nfs/dbraw/zinc/84/58/99/638845899.db2.gz HOOADXHODISJHG-JTQLQIEISA-N -1 3 278.327 3.241 20 10 CGCDHM C[Si](C)(C)CCCC(=O)NCc1c([O-])cccc1F ZINC001156170143 805662082 /nfs/dbraw/zinc/66/20/82/805662082.db2.gz HRXCFTNPWQJRRE-UHFFFAOYSA-N -1 3 283.419 3.266 20 10 CGCDHM [O-]c1c(O)cccc1-c1nnc(-c2cccc(Cl)c2)o1 ZINC001253736055 806290926 /nfs/dbraw/zinc/29/09/26/806290926.db2.gz VCFDYSPNUWPUBC-UHFFFAOYSA-N -1 3 288.690 3.468 20 10 CGCDHM [O-]c1c(Br)cc(Cl)cc1CN1CCCC1 ZINC000708134767 799983423 /nfs/dbraw/zinc/98/34/23/799983423.db2.gz UVBGORWPWKKKNM-UHFFFAOYSA-N -1 3 290.588 3.404 20 10 CGCDHM Cc1csc([C@@H](C)NCc2cc(F)cc(F)c2[O-])n1 ZINC000708549346 799991401 /nfs/dbraw/zinc/99/14/01/799991401.db2.gz PWSBZXGKDROJSH-MRVPVSSYSA-N -1 3 284.331 3.286 20 10 CGCDHM COc1c([O-])c(CNc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC001116812120 802413568 /nfs/dbraw/zinc/41/35/68/802413568.db2.gz XYGGPXXXGBOIGW-UHFFFAOYSA-N -1 3 288.303 3.230 20 10 CGCDHM [O-]c1c(Cl)c(Cl)ccc1Nc1ccncc1 ZINC001173884439 808739826 /nfs/dbraw/zinc/73/98/26/808739826.db2.gz IUUCCXRZJDAPAJ-UHFFFAOYSA-N -1 3 255.104 3.260 20 10 CGCDHM [O-]c1c(F)ccc(F)c1CN1CC2(C1)CCCC2 ZINC001139680773 804250452 /nfs/dbraw/zinc/25/04/52/804250452.db2.gz BOPFOYIHSUAABY-UHFFFAOYSA-N -1 3 253.292 3.046 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CCC[C@H]1c1cnccn1 ZINC001140466225 804443459 /nfs/dbraw/zinc/44/34/59/804443459.db2.gz BUHWDECVMBKDLJ-AWEZNQCLSA-N -1 3 289.766 3.173 20 10 CGCDHM CC[C@@H](CCc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC001166807330 807103156 /nfs/dbraw/zinc/10/31/56/807103156.db2.gz OSXCREYCDUWPLH-AWEZNQCLSA-N -1 3 299.370 3.239 20 10 CGCDHM C[C@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@H](C2CC2)O1 ZINC001181373939 810049126 /nfs/dbraw/zinc/04/91/26/810049126.db2.gz UUGUGVHLVIILAC-ZUZCIYMTSA-N -1 3 281.783 3.045 20 10 CGCDHM CC(C)(C)[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])CCO1 ZINC001184374274 810197027 /nfs/dbraw/zinc/19/70/27/810197027.db2.gz LFMCNSRJKQIVIR-AWEZNQCLSA-N -1 3 299.361 3.307 20 10 CGCDHM Cc1ccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)cc1C ZINC001215327618 815506802 /nfs/dbraw/zinc/50/68/02/815506802.db2.gz KVKRARALBDQNKR-UHFFFAOYSA-N -1 3 298.298 3.137 20 10 CGCDHM CN(C)c1ccc(NCc2cccc(F)c2[O-])cc1F ZINC001207233307 813518415 /nfs/dbraw/zinc/51/84/15/813518415.db2.gz FEPUOTBPZJXWOK-UHFFFAOYSA-N -1 3 278.302 3.349 20 10 CGCDHM Cc1cccnc1[C@@H](C)NCc1ccc(F)c(F)c1[O-] ZINC001207783231 813649977 /nfs/dbraw/zinc/64/99/77/813649977.db2.gz DCZOPEOBJJGXCP-SNVBAGLBSA-N -1 3 278.302 3.225 20 10 CGCDHM COc1cnccc1Nc1cc(Cl)cc(Cl)c1[O-] ZINC001211263701 814866027 /nfs/dbraw/zinc/86/60/27/814866027.db2.gz ZTHGHBJHBZTOEN-UHFFFAOYSA-N -1 3 285.130 3.268 20 10 CGCDHM C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])Cc2ccccc21 ZINC001231446342 818100741 /nfs/dbraw/zinc/10/07/41/818100741.db2.gz HEKIPWKKHGQZBQ-GFCCVEGCSA-N -1 3 297.354 3.210 20 10 CGCDHM C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])Cc2ccccc21 ZINC001231446342 818100743 /nfs/dbraw/zinc/10/07/43/818100743.db2.gz HEKIPWKKHGQZBQ-GFCCVEGCSA-N -1 3 297.354 3.210 20 10 CGCDHM CCCCOC1CN(Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236800251 819599696 /nfs/dbraw/zinc/59/96/96/819599696.db2.gz UYTVXFMKOLAEJG-UHFFFAOYSA-N -1 3 299.798 3.055 20 10 CGCDHM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)CCCO1 ZINC001237077832 819660090 /nfs/dbraw/zinc/66/00/90/819660090.db2.gz KSATZVJLLCEBOQ-SECBINFHSA-N -1 3 290.190 3.310 20 10 CGCDHM C[C@@]1(CF)CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237616477 819787432 /nfs/dbraw/zinc/78/74/32/819787432.db2.gz DXPGSZXLIKHSBX-ZDUSSCGKSA-N -1 3 275.726 3.366 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1C2CCC1CC2 ZINC001237800120 819843778 /nfs/dbraw/zinc/84/37/78/819843778.db2.gz XKTUXVSSZQHBLL-UHFFFAOYSA-N -1 3 255.720 3.312 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@]2(C1)CCCCO2 ZINC001237808650 819848373 /nfs/dbraw/zinc/84/83/73/819848373.db2.gz VLSXEUCIYOVFLL-OAHLLOKOSA-N -1 3 299.773 3.330 20 10 CGCDHM CC(C)(C)c1ccc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC001456827852 937435701 /nfs/dbraw/zinc/43/57/01/937435701.db2.gz ITVJNDJOKSTYOJ-UHFFFAOYSA-N -1 3 286.331 3.043 20 10 CGCDHM Cc1cscc1NC(=O)NCc1c([O-])cccc1F ZINC001310459725 933256653 /nfs/dbraw/zinc/25/66/53/933256653.db2.gz FZZYSBCDEYNYHO-UHFFFAOYSA-N -1 3 280.324 3.223 20 10 CGCDHM O=C(Cc1cc2ccccc2o1)NCc1c([O-])cccc1F ZINC001471974759 937771161 /nfs/dbraw/zinc/77/11/61/937771161.db2.gz JDKKWCSVPCSDFZ-UHFFFAOYSA-N -1 3 299.301 3.136 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCOCC2(CCCC2)C1 ZINC001331547744 935392500 /nfs/dbraw/zinc/39/25/00/935392500.db2.gz IEAIXQRUAPYAEH-UHFFFAOYSA-N -1 3 297.345 3.063 20 10 CGCDHM [O-]c1cccc(F)c1CNCc1nc2cc(F)ccc2o1 ZINC001474716749 937876573 /nfs/dbraw/zinc/87/65/73/937876573.db2.gz RPROUIKAZFXWIM-UHFFFAOYSA-N -1 3 290.269 3.101 20 10 CGCDHM Cn1cc(NCc2cccc(F)c2[O-])c(-c2ccco2)n1 ZINC001560936739 938285020 /nfs/dbraw/zinc/28/50/20/938285020.db2.gz IADLUKOGVJLNEU-UHFFFAOYSA-N -1 3 287.294 3.137 20 10 CGCDHM C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219799 994304147 /nfs/dbraw/zinc/30/41/47/994304147.db2.gz OUMUTPUJZHTFLK-JQWIXIFHSA-N -1 3 277.364 3.320 20 10 CGCDHM C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593224836 994343532 /nfs/dbraw/zinc/34/35/32/994343532.db2.gz RLZTZGMNKUVDJJ-WCQGTBRESA-N -1 3 281.327 3.022 20 10 CGCDHM C[C@@H]([NH2+]CC(C1CC1)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246439 994451387 /nfs/dbraw/zinc/45/13/87/994451387.db2.gz LJJYCZFGBFMVOU-SNVBAGLBSA-N -1 3 289.375 3.177 20 10 CGCDHM CC[C@H](NCc1c[nH]nc1C)c1cccc(Cl)c1[O-] ZINC000287611791 371682360 /nfs/dbraw/zinc/68/23/60/371682360.db2.gz JGGLOVDSHQHWBJ-ZDUSSCGKSA-N -1 3 279.771 3.318 20 10 CGCDHM Cc1ccc(C(=O)N2CCCC(C)(C)CC2)c([O-])c1O ZINC000182506134 374283993 /nfs/dbraw/zinc/28/39/93/374283993.db2.gz WUNAKYFMFXUZAB-UHFFFAOYSA-N -1 3 277.364 3.059 20 10 CGCDHM CCCN(Cc1ccccc1O)C(=O)c1ccc([O-])c(C)c1 ZINC000272502948 378651409 /nfs/dbraw/zinc/65/14/09/378651409.db2.gz LPGQXQXXHSDHEW-UHFFFAOYSA-N -1 3 299.370 3.459 20 10 CGCDHM [O-]c1ccc(F)cc1CN[C@H]1COc2c1cccc2Cl ZINC000376168345 379524213 /nfs/dbraw/zinc/52/42/13/379524213.db2.gz WHHIVPITNNDBLA-ZDUSSCGKSA-N -1 3 293.725 3.408 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC2(CCCCC2)CC1 ZINC000126393103 260351163 /nfs/dbraw/zinc/35/11/63/260351163.db2.gz HOHNNDOFEVLVMZ-UHFFFAOYSA-N -1 3 289.375 3.284 20 10 CGCDHM CCC(CC)N(CC(C)C)C(=O)c1cccc(O)c1[O-] ZINC000126477408 260353144 /nfs/dbraw/zinc/35/31/44/260353144.db2.gz DULZULHGYPLJMR-UHFFFAOYSA-N -1 3 279.380 3.385 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000180223241 261848227 /nfs/dbraw/zinc/84/82/27/261848227.db2.gz DYFPIABJTLKPER-OAHLLOKOSA-N -1 3 293.363 3.166 20 10 CGCDHM Cc1nc([C@H]2CCCN2Cc2ccccc2[O-])cs1 ZINC000189919796 329390231 /nfs/dbraw/zinc/39/02/31/329390231.db2.gz LBZOCXCPKRJNGE-CQSZACIVSA-N -1 3 274.389 3.494 20 10 CGCDHM Cc1cc(F)ccc1NC(=O)c1cc([O-])cs1 ZINC000731867072 572433291 /nfs/dbraw/zinc/43/32/91/572433291.db2.gz DFGGVCWVIMBJBB-UHFFFAOYSA-N -1 3 251.282 3.154 20 10 CGCDHM O=C(Nc1ccccc1N1CCCC1)c1cc([O-])cs1 ZINC000731867573 572433351 /nfs/dbraw/zinc/43/33/51/572433351.db2.gz MSEPVHLBDZUYRL-UHFFFAOYSA-N -1 3 288.372 3.306 20 10 CGCDHM Cc1ccc(SCCNC(=O)c2cc([O-])cs2)cc1 ZINC000731869202 572434562 /nfs/dbraw/zinc/43/45/62/572434562.db2.gz BQRZMXFHASSXQS-UHFFFAOYSA-N -1 3 293.413 3.284 20 10 CGCDHM Cc1ccc(CN(C)C(=O)c2cc([O-])cs2)cc1 ZINC000732258653 572455265 /nfs/dbraw/zinc/45/52/65/572455265.db2.gz PEQXNYYBTYNDPR-UHFFFAOYSA-N -1 3 261.346 3.034 20 10 CGCDHM COc1ccc([C@H](C)NC(=O)c2cc([O-])cs2)cc1F ZINC000732257737 572458388 /nfs/dbraw/zinc/45/83/88/572458388.db2.gz ADTFUWVYGPILSR-QMMMGPOBSA-N -1 3 295.335 3.092 20 10 CGCDHM CC1(c2ccccc2)CC(NC(=O)c2cc([O-])cs2)C1 ZINC000732289406 572459207 /nfs/dbraw/zinc/45/92/07/572459207.db2.gz PGSKQAYMEVQCDZ-UHFFFAOYSA-N -1 3 287.384 3.304 20 10 CGCDHM Cc1ccc(C[C@H](C)NC(=O)c2cc([O-])cs2)c(C)c1 ZINC000732290666 572459247 /nfs/dbraw/zinc/45/92/47/572459247.db2.gz WBXIRPNPOOCABS-LBPRGKRZSA-N -1 3 289.400 3.432 20 10 CGCDHM C[C@H](CNC(=O)c1cc([O-])cs1)c1ccc(F)cc1F ZINC000743789538 572683634 /nfs/dbraw/zinc/68/36/34/572683634.db2.gz NMRARJXZGGAGCV-MRVPVSSYSA-N -1 3 297.326 3.265 20 10 CGCDHM C[C@H](COC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000735143661 572705339 /nfs/dbraw/zinc/70/53/39/572705339.db2.gz IZZHDWHVZSVLGQ-SNVBAGLBSA-N -1 3 262.330 3.414 20 10 CGCDHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000735704130 572738223 /nfs/dbraw/zinc/73/82/23/572738223.db2.gz QFLJNXVOYZHYRB-ZWNOBZJWSA-N -1 3 297.420 3.025 20 10 CGCDHM Cc1cc([O-])c(CNCc2ccn(C(C)C)n2)c(Cl)c1 ZINC000840899451 619040749 /nfs/dbraw/zinc/04/07/49/619040749.db2.gz NBRGUXBSRJFVJG-UHFFFAOYSA-N -1 3 293.798 3.421 20 10 CGCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1C ZINC000078005188 619401290 /nfs/dbraw/zinc/40/12/90/619401290.db2.gz ZRMSRWMBTDJGSL-UHFFFAOYSA-N -1 3 291.372 3.118 20 10 CGCDHM CCn1ccc(CN(C)Cc2cc(F)cc(F)c2[O-])c1 ZINC000894543542 619570371 /nfs/dbraw/zinc/57/03/71/619570371.db2.gz TVGDQFVLRQTUIT-UHFFFAOYSA-N -1 3 280.318 3.124 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CC(CC(F)(F)F)C1 ZINC000894976058 619691063 /nfs/dbraw/zinc/69/10/63/619691063.db2.gz INLYQPXXYGNHPI-UHFFFAOYSA-N -1 3 281.224 3.055 20 10 CGCDHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000193097105 623832057 /nfs/dbraw/zinc/83/20/57/623832057.db2.gz SIIWEXWSNSZBFF-UHFFFAOYSA-N -1 3 297.763 3.155 20 10 CGCDHM C[C@H]1CSCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000754156530 626561772 /nfs/dbraw/zinc/56/17/72/626561772.db2.gz SDYFYTIFLQUISD-SECBINFHSA-N -1 3 289.803 3.370 20 10 CGCDHM C[C@@H](Nc1cccc2c1OCO2)c1ccc(F)cc1[O-] ZINC000757660018 626798006 /nfs/dbraw/zinc/79/80/06/626798006.db2.gz YIJVENQJWAHNLK-SECBINFHSA-N -1 3 275.279 3.433 20 10 CGCDHM CC(C)C[C@H]1COCCN1Cc1c([O-])cccc1Cl ZINC000769397553 627548426 /nfs/dbraw/zinc/54/84/26/627548426.db2.gz FFAYYPBDLOLUSQ-LBPRGKRZSA-N -1 3 283.799 3.293 20 10 CGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)c1ccccc1 ZINC000776645297 628224467 /nfs/dbraw/zinc/22/44/67/628224467.db2.gz MBQMASAOOUKLMR-GFCCVEGCSA-N -1 3 299.370 3.194 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCc2c(F)cc(F)cc2C1 ZINC000779029515 628384322 /nfs/dbraw/zinc/38/43/22/628384322.db2.gz HWTWROOXSOZTSQ-UHFFFAOYSA-N -1 3 293.288 3.368 20 10 CGCDHM CC[C@]1(C)CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000785984457 628904423 /nfs/dbraw/zinc/90/44/23/628904423.db2.gz FHDJRNSNZJSWMX-CQSZACIVSA-N -1 3 269.772 3.047 20 10 CGCDHM CC(C)c1ccc(CCNC(=O)c2cccc(O)c2[O-])cc1 ZINC000790466250 629212531 /nfs/dbraw/zinc/21/25/31/629212531.db2.gz MSMAXLISOZBQPI-UHFFFAOYSA-N -1 3 299.370 3.194 20 10 CGCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@H]1c1ccccc1 ZINC000790572397 629218397 /nfs/dbraw/zinc/21/83/97/629218397.db2.gz JIWQNLBVAMNVPS-INIZCTEOSA-N -1 3 297.354 3.321 20 10 CGCDHM Cc1ccc(C(=O)N(C)c2ccc3cc[nH]c3c2)c([O-])c1O ZINC000792580914 629368653 /nfs/dbraw/zinc/36/86/53/629368653.db2.gz VJGLSRSITUOXNF-UHFFFAOYSA-N -1 3 296.326 3.164 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cccnc1F ZINC000793290777 629440530 /nfs/dbraw/zinc/44/05/30/629440530.db2.gz YFOXMYKHGFBBOT-UHFFFAOYSA-N -1 3 284.693 3.009 20 10 CGCDHM CC[C@@H](Nc1cnn(C)c1C)c1ccc(F)cc1[O-] ZINC000796901558 629856705 /nfs/dbraw/zinc/85/67/05/629856705.db2.gz XKPKEUAZSAABJL-GFCCVEGCSA-N -1 3 263.316 3.136 20 10 CGCDHM CC[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000798965434 630132315 /nfs/dbraw/zinc/13/23/15/630132315.db2.gz XOEKKGDMBUPLMZ-LBPRGKRZSA-N -1 3 287.762 3.186 20 10 CGCDHM COC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])C(C)(C)C ZINC000825451149 633355035 /nfs/dbraw/zinc/35/50/35/633355035.db2.gz QQMVUOVHEPGJNW-ZDUSSCGKSA-N -1 3 299.798 3.031 20 10 CGCDHM C[C@]1(C2CC2)CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000826878013 633440104 /nfs/dbraw/zinc/44/01/04/633440104.db2.gz QJQSUUDUHKINRJ-OAHLLOKOSA-N -1 3 281.783 3.047 20 10 CGCDHM Cc1noc(C)c1C(C)(C)NCc1ccc(F)c(F)c1[O-] ZINC000877523499 635070690 /nfs/dbraw/zinc/07/06/90/635070690.db2.gz KMTPZXJDDJLMPN-UHFFFAOYSA-N -1 3 296.317 3.300 20 10 CGCDHM Cc1cc([O-])c(CN(C)Cc2ccncc2)c(Cl)c1 ZINC000840940296 635086985 /nfs/dbraw/zinc/08/69/85/635086985.db2.gz YLSXTVKUGZVXHS-UHFFFAOYSA-N -1 3 276.767 3.381 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1ccc(OCCO)cc1 ZINC000131402374 636651474 /nfs/dbraw/zinc/65/14/74/636651474.db2.gz KJBCGCKIEPYCOI-UHFFFAOYSA-N -1 3 293.750 3.029 20 10 CGCDHM Cc1cccc(CN[C@@H](C)c2c([O-])cccc2F)n1 ZINC000886508989 637545979 /nfs/dbraw/zinc/54/59/79/637545979.db2.gz WDWMZPPTYDVRLO-NSHDSACASA-N -1 3 260.312 3.086 20 10 CGCDHM COc1ccc(CN[C@H](C)c2c([O-])cccc2F)cc1O ZINC000886520740 637551532 /nfs/dbraw/zinc/55/15/32/637551532.db2.gz LTRQPFJAHRIVCN-SNVBAGLBSA-N -1 3 291.322 3.096 20 10 CGCDHM CCc1nn(C)cc1N[C@H](C)c1c([O-])cccc1F ZINC000886579191 637590167 /nfs/dbraw/zinc/59/01/67/637590167.db2.gz CGOYQBYSGWNWLB-SECBINFHSA-N -1 3 263.316 3.000 20 10 CGCDHM C[C@@H](Nc1cccc(CCO)c1)c1c([O-])cccc1F ZINC000886622661 637615290 /nfs/dbraw/zinc/61/52/90/637615290.db2.gz ZPNXNWKEQVLZQN-LLVKDONJSA-N -1 3 275.323 3.239 20 10 CGCDHM C[C@@H](N[C@@H](CCO)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000886801712 637697453 /nfs/dbraw/zinc/69/74/53/637697453.db2.gz RGIPFOMBGDXVOE-HQJQHLMTSA-N -1 3 297.704 3.010 20 10 CGCDHM CC(C)c1nc(C(=O)NCc2c([O-])cccc2F)cs1 ZINC000928712595 638889735 /nfs/dbraw/zinc/88/97/35/638889735.db2.gz UEYMHAVKYONYEL-UHFFFAOYSA-N -1 3 294.351 3.041 20 10 CGCDHM CCCC[C@](C)(F)C(=O)NCc1c([O-])cccc1F ZINC000928710077 638889795 /nfs/dbraw/zinc/88/97/95/638889795.db2.gz GRZSPKUQLANCMW-AWEZNQCLSA-N -1 3 271.307 3.066 20 10 CGCDHM [O-]c1cc(Br)ccc1CNC1(C(F)F)CC1 ZINC000691441926 799784276 /nfs/dbraw/zinc/78/42/76/799784276.db2.gz YQVZDLHMZRNXNA-UHFFFAOYSA-N -1 3 292.123 3.042 20 10 CGCDHM CCN(Cc1c([O-])cccc1Br)CC(F)F ZINC000707165514 799973162 /nfs/dbraw/zinc/97/31/62/799973162.db2.gz GMBVZABEMDCIDT-UHFFFAOYSA-N -1 3 294.139 3.242 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCCC(F)(F)CC1 ZINC000708385460 799987587 /nfs/dbraw/zinc/98/75/87/799987587.db2.gz SKJZPQXSZJXNJD-UHFFFAOYSA-N -1 3 277.261 3.292 20 10 CGCDHM C[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715701657 800145207 /nfs/dbraw/zinc/14/52/07/800145207.db2.gz GGZDQVYIVVYXSM-QMMMGPOBSA-N -1 3 288.160 3.136 20 10 CGCDHM CC[N@H+](Cc1ccccc1[O-])Cc1c(F)ccc(F)c1[O-] ZINC001139685254 804252118 /nfs/dbraw/zinc/25/21/18/804252118.db2.gz CKZYPNDGJCOZDK-UHFFFAOYSA-N -1 3 293.313 3.398 20 10 CGCDHM CC[N@@H+](Cc1ccccc1[O-])Cc1c(F)ccc(F)c1[O-] ZINC001139685254 804252127 /nfs/dbraw/zinc/25/21/27/804252127.db2.gz CKZYPNDGJCOZDK-UHFFFAOYSA-N -1 3 293.313 3.398 20 10 CGCDHM CN(CCOc1ccccc1)Cc1c(F)ccc(F)c1[O-] ZINC001139682972 804253006 /nfs/dbraw/zinc/25/30/06/804253006.db2.gz DDJWCQFBBWUVDR-UHFFFAOYSA-N -1 3 293.313 3.181 20 10 CGCDHM CC(C)(C)c1cc([O-])c(CN2CCC23COC3)cc1Cl ZINC001248883735 805033604 /nfs/dbraw/zinc/03/36/04/805033604.db2.gz PCWJTRFVYBQZTJ-UHFFFAOYSA-N -1 3 295.810 3.318 20 10 CGCDHM O=C(Nc1cc2ccccc2cc1O)c1cccc(O)c1[O-] ZINC001148219182 805167534 /nfs/dbraw/zinc/16/75/34/805167534.db2.gz WCJDJERQYRMHMP-UHFFFAOYSA-N -1 3 295.294 3.209 20 10 CGCDHM C[C@@H]1C[C@@H](F)CN1Cc1cc(Br)ccc1[O-] ZINC001203635646 812412413 /nfs/dbraw/zinc/41/24/13/812412413.db2.gz BZODYUCOLDSMFV-LDYMZIIASA-N -1 3 288.160 3.087 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCC(F)(F)[C@@H](F)C1 ZINC001203651609 812415062 /nfs/dbraw/zinc/41/50/62/812415062.db2.gz ROVHPCOOMHBUEL-NSHDSACASA-N -1 3 279.689 3.225 20 10 CGCDHM C[C@@H]1CCC[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC001224857481 816896248 /nfs/dbraw/zinc/89/62/48/816896248.db2.gz JIJIQTOSRRQPOI-NEPJUHHUSA-N -1 3 294.370 3.157 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@@H](F)C[C@H]2C)cc1Cl ZINC001231867751 818192177 /nfs/dbraw/zinc/19/21/77/818192177.db2.gz NSDZXDWZNWSWHM-KOLCDFICSA-N -1 3 257.736 3.286 20 10 CGCDHM CCCN(CC(=O)OCC)Cc1cc(Cl)c(C)cc1[O-] ZINC001231870001 818193450 /nfs/dbraw/zinc/19/34/50/818193450.db2.gz FNOHASKBTHHAHU-UHFFFAOYSA-N -1 3 299.798 3.129 20 10 CGCDHM Cc1cc([O-])c(CN2Cc3ncsc3C2)cc1Cl ZINC001231870006 818193461 /nfs/dbraw/zinc/19/34/61/818193461.db2.gz FSUQXOAGDGPKSJ-UHFFFAOYSA-N -1 3 280.780 3.326 20 10 CGCDHM Cc1cc([O-])c(CN2CCCC(=O)[C@H](C)C2)cc1Cl ZINC001231869747 818193606 /nfs/dbraw/zinc/19/36/06/818193606.db2.gz XNMIESXSIZRASM-LLVKDONJSA-N -1 3 281.783 3.155 20 10 CGCDHM CCN(Cc1cccnc1)Cc1ccc(F)c(F)c1[O-] ZINC001233077579 818520080 /nfs/dbraw/zinc/52/00/80/818520080.db2.gz SHDHPUWMWIQMMS-UHFFFAOYSA-N -1 3 278.302 3.088 20 10 CGCDHM C[N@H+](Cc1ccc([S-])cc1)Cc1ccccc1[O-] ZINC001233262280 818559742 /nfs/dbraw/zinc/55/97/42/818559742.db2.gz ZHBPRVHMQDTPRT-UHFFFAOYSA-N -1 3 259.374 3.313 20 10 CGCDHM C[N@@H+](Cc1ccc([S-])cc1)Cc1ccccc1[O-] ZINC001233262280 818559747 /nfs/dbraw/zinc/55/97/47/818559747.db2.gz ZHBPRVHMQDTPRT-UHFFFAOYSA-N -1 3 259.374 3.313 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCC(OC2CCC2)CC1 ZINC001233332611 818586717 /nfs/dbraw/zinc/58/67/17/818586717.db2.gz QZBLWYFKSGHZOI-UHFFFAOYSA-N -1 3 297.345 3.204 20 10 CGCDHM C[C@H]1CCC[C@H](NC(=O)NCc2c([O-])cccc2F)CC1 ZINC001234242134 818813787 /nfs/dbraw/zinc/81/37/87/818813787.db2.gz XRSKEJYRILKOFK-RYUDHWBXSA-N -1 3 294.370 3.299 20 10 CGCDHM COc1ccc2ccc([O-])c(CN3CC(F)(F)C3)c2c1 ZINC001234518076 818872335 /nfs/dbraw/zinc/87/23/35/818872335.db2.gz CCRHYZLHXQMQLI-UHFFFAOYSA-N -1 3 279.286 3.005 20 10 CGCDHM COc1cc([O-])c(CN2CCC[C@](C)(F)C2)c(Cl)c1 ZINC001236797179 819597216 /nfs/dbraw/zinc/59/72/16/819597216.db2.gz CNJWGXAHDNOHHX-AWEZNQCLSA-N -1 3 287.762 3.378 20 10 CGCDHM CSCCN(C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237087506 819664408 /nfs/dbraw/zinc/66/44/08/819664408.db2.gz XYGRBZDMFOCKOY-UHFFFAOYSA-N -1 3 280.220 3.494 20 10 CGCDHM [O-]c1ccc(F)c(Cl)c1CN1CCC[C@@H]2C[C@@H]21 ZINC001237127640 819674063 /nfs/dbraw/zinc/67/40/63/819674063.db2.gz DOQVXXALBRIOFJ-KCJUWKMLSA-N -1 3 255.720 3.169 20 10 CGCDHM [O-]c1ccc(Cl)cc1CNCc1nc(Cl)cs1 ZINC001462396256 937638057 /nfs/dbraw/zinc/63/80/57/937638057.db2.gz PICYYSUBNNJORR-UHFFFAOYSA-N -1 3 289.187 3.445 20 10 CGCDHM CN(Cc1cc(F)c(F)cc1[O-])c1cccc(O)c1 ZINC001462428769 937640844 /nfs/dbraw/zinc/64/08/44/937640844.db2.gz YUDNWMSMZZILOA-UHFFFAOYSA-N -1 3 265.259 3.012 20 10 CGCDHM C[C@@H](C(=O)NCc1c([O-])cccc1F)[C@H](C)C(C)(C)C ZINC001471975619 937771347 /nfs/dbraw/zinc/77/13/47/937771347.db2.gz ABKPHTKVXNBTBE-MNOVXSKESA-N -1 3 281.371 3.466 20 10 CGCDHM [O-]c1cccc(F)c1CNCc1cnc(Cl)c(F)c1 ZINC001474716184 937876603 /nfs/dbraw/zinc/87/66/03/937876603.db2.gz DXJPTVQWXHYKLB-UHFFFAOYSA-N -1 3 284.693 3.009 20 10 CGCDHM CCc1ccc(N(CC)C(=O)c2cccc(O)c2[O-])cc1 ZINC001543400469 938139231 /nfs/dbraw/zinc/13/92/31/938139231.db2.gz ILPRJGWRQIZIFP-UHFFFAOYSA-N -1 3 285.343 3.327 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H](OC2CCC2)C1 ZINC001560908836 938283129 /nfs/dbraw/zinc/28/31/29/938283129.db2.gz BYUJOTDZPMXFGW-CYBMUJFWSA-N -1 3 297.345 3.204 20 10 CGCDHM CC(C)(CNC(=O)NCc1c([O-])cccc1F)C1CCC1 ZINC001564771187 960685975 /nfs/dbraw/zinc/68/59/75/960685975.db2.gz RSMWVLVDAAQRRX-UHFFFAOYSA-N -1 3 294.370 3.157 20 10 CGCDHM Cc1cc(Cl)cc(CN2CCC[C@H]2c2ncon2)c1[O-] ZINC000362043418 346545310 /nfs/dbraw/zinc/54/53/10/346545310.db2.gz FVMUJOQWVNJJOT-LBPRGKRZSA-N -1 3 293.754 3.074 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H](c2ccco2)C1 ZINC000093841455 370165644 /nfs/dbraw/zinc/16/56/44/370165644.db2.gz SZHFLTSGUIGKLV-HNNXBMFYSA-N -1 3 293.750 3.212 20 10 CGCDHM COC1(C)CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293660764 372441069 /nfs/dbraw/zinc/44/10/69/372441069.db2.gz POPWJZHECPURSY-UHFFFAOYSA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@H](O)CC1 ZINC000293985690 372545855 /nfs/dbraw/zinc/54/58/55/372545855.db2.gz LFEJEGANRWRECA-NSHDSACASA-N -1 3 290.190 3.046 20 10 CGCDHM CC[C@H](NCc1cnccc1OC)c1ccc(F)cc1[O-] ZINC000294515214 372658422 /nfs/dbraw/zinc/65/84/22/372658422.db2.gz YYKIRMZWNSDASC-AWEZNQCLSA-N -1 3 290.338 3.176 20 10 CGCDHM CS[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294966812 372681578 /nfs/dbraw/zinc/68/15/78/372681578.db2.gz FJIODCBKDUNSQL-SECBINFHSA-N -1 3 275.776 3.122 20 10 CGCDHM C[C@H]1CN(Cc2ccccc2[O-])[C@@H](c2ccccc2)CO1 ZINC000245617427 376870520 /nfs/dbraw/zinc/87/05/20/376870520.db2.gz PZCFKLNHUCEBPL-WMLDXEAASA-N -1 3 283.371 3.354 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]1c1ccsc1 ZINC000731869493 572434126 /nfs/dbraw/zinc/43/41/26/572434126.db2.gz JRSHSCXDDJCHNM-LLVKDONJSA-N -1 3 279.386 3.493 20 10 CGCDHM O=C(Nc1nc(C2CC2)cs1)c1cc([O-])cs1 ZINC000732269893 572456033 /nfs/dbraw/zinc/45/60/33/572456033.db2.gz XAJGBOXSGLZNFM-UHFFFAOYSA-N -1 3 266.347 3.040 20 10 CGCDHM Cc1ccc(C(=O)N2[C@@H](C)C[C@@H]3CCCC[C@@H]32)c([O-])c1O ZINC000177686557 392666350 /nfs/dbraw/zinc/66/63/50/392666350.db2.gz MFMUNSOJDVZYPX-OBJOEFQTSA-N -1 3 289.375 3.199 20 10 CGCDHM [O-]c1ccccc1CN1CCO[C@H](c2cccs2)C1 ZINC000179564485 392702209 /nfs/dbraw/zinc/70/22/09/392702209.db2.gz PXSUCAKSQBALEU-AWEZNQCLSA-N -1 3 275.373 3.027 20 10 CGCDHM C[C@H]1CN(Cc2ccccc2[O-])[C@H](c2ccccc2)CO1 ZINC000179579924 392704494 /nfs/dbraw/zinc/70/44/94/392704494.db2.gz PZCFKLNHUCEBPL-YOEHRIQHSA-N -1 3 283.371 3.354 20 10 CGCDHM [O-]c1ccccc1CN1CCSC[C@@H]1c1nccs1 ZINC000186640936 262103150 /nfs/dbraw/zinc/10/31/50/262103150.db2.gz YMEJORWVOHJWHQ-GFCCVEGCSA-N -1 3 292.429 3.139 20 10 CGCDHM Cc1ccc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)c([O-])c1O ZINC000272905329 263009747 /nfs/dbraw/zinc/00/97/47/263009747.db2.gz CKBUNXSMGMAQKF-GFCCVEGCSA-N -1 3 289.375 3.059 20 10 CGCDHM CCn1cc([C@@H](C)N[C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000296109932 263186173 /nfs/dbraw/zinc/18/61/73/263186173.db2.gz ZMAVINWQIVFMSC-MNOVXSKESA-N -1 3 277.343 3.160 20 10 CGCDHM CO[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000377273763 268063238 /nfs/dbraw/zinc/06/32/38/268063238.db2.gz RFGXAGKSCAGSGR-SNVBAGLBSA-N -1 3 287.762 3.186 20 10 CGCDHM CC1(C)CN(Cc2cccc(Cl)c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000291700916 281246709 /nfs/dbraw/zinc/24/67/09/281246709.db2.gz ZBEQVPBDGSRXIB-ZFWWWQNUSA-N -1 3 295.810 3.435 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@]2(CC=CCC2)C1 ZINC000185659050 329328546 /nfs/dbraw/zinc/32/85/46/329328546.db2.gz AIJZITNUSOLRFR-KRWDZBQOSA-N -1 3 287.359 3.060 20 10 CGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2ccc(C)o2)c1[O-] ZINC000050133839 518283739 /nfs/dbraw/zinc/28/37/39/518283739.db2.gz DRNPHKQLULNTLK-UHFFFAOYSA-N -1 3 291.322 3.267 20 10 CGCDHM CC1(C)CN(Cc2ccccc2[O-])[C@@H]1c1cccnc1 ZINC000292870146 520482705 /nfs/dbraw/zinc/48/27/05/520482705.db2.gz WJOIDOZNLHDBAD-MRXNPFEDSA-N -1 3 268.360 3.370 20 10 CGCDHM C[C@@]1(O)CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000129498892 525882021 /nfs/dbraw/zinc/88/20/21/525882021.db2.gz DTKZLIZYUHJLRK-CYBMUJFWSA-N -1 3 290.190 3.046 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CCOC[C@@H](C2CCC2)C1 ZINC000292807123 526326858 /nfs/dbraw/zinc/32/68/58/526326858.db2.gz OGTUXFJMDKCFLC-AWEZNQCLSA-N -1 3 295.810 3.294 20 10 CGCDHM [O-]c1c(F)cccc1CN[C@H]1CCOc2c(F)cccc21 ZINC000276697521 526331307 /nfs/dbraw/zinc/33/13/07/526331307.db2.gz DSMQGOUAYLYTBU-AWEZNQCLSA-N -1 3 291.297 3.284 20 10 CGCDHM CCN(CCc1ccccc1)C(=O)c1cc([O-])cs1 ZINC000732268126 572455563 /nfs/dbraw/zinc/45/55/63/572455563.db2.gz CBIZQCXIGASVGU-UHFFFAOYSA-N -1 3 275.373 3.159 20 10 CGCDHM Cc1ccc([C@H](C)NC(=O)c2cc([O-])cs2)s1 ZINC000732276359 572456789 /nfs/dbraw/zinc/45/67/89/572456789.db2.gz HWHFMBQTKATKSK-QMMMGPOBSA-N -1 3 267.375 3.315 20 10 CGCDHM O=C(NCCCc1cccc(Cl)c1)c1cc([O-])cs1 ZINC000732278825 572458009 /nfs/dbraw/zinc/45/80/09/572458009.db2.gz CJERSVTXFADKQJ-UHFFFAOYSA-N -1 3 295.791 3.470 20 10 CGCDHM CCCCc1noc([C@H](C)OC(=O)c2cc([O-])cs2)n1 ZINC000732353452 572461312 /nfs/dbraw/zinc/46/13/12/572461312.db2.gz PKOUPBDQDGCMGQ-QMMMGPOBSA-N -1 3 296.348 3.097 20 10 CGCDHM [O-]c1cccc(Cl)c1CN[C@@H](CCO)c1cccs1 ZINC000740900448 572467849 /nfs/dbraw/zinc/46/78/49/572467849.db2.gz PXJMMSOYGYKPHL-LBPRGKRZSA-N -1 3 297.807 3.320 20 10 CGCDHM C[C@@H](COC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000735143659 572705184 /nfs/dbraw/zinc/70/51/84/572705184.db2.gz IZZHDWHVZSVLGQ-JTQLQIEISA-N -1 3 262.330 3.414 20 10 CGCDHM O=C(N[C@H](Cc1ccccc1)C1CC1)c1cc([O-])cs1 ZINC000736727932 572807209 /nfs/dbraw/zinc/80/72/09/572807209.db2.gz XIJUBKLHWNCRLM-CQSZACIVSA-N -1 3 287.384 3.205 20 10 CGCDHM O=C([O-])CCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000819460049 597264590 /nfs/dbraw/zinc/26/45/90/597264590.db2.gz NKVPAUKQEPFRJZ-UHFFFAOYSA-N -1 3 285.343 3.014 20 10 CGCDHM CCc1nc(CN[C@H](C)c2ccc(F)cc2[O-])cs1 ZINC000185397123 625355892 /nfs/dbraw/zinc/35/58/92/625355892.db2.gz QIUBHOUECXNZMD-SECBINFHSA-N -1 3 280.368 3.401 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CNCc1cccnc1F ZINC000793279634 619713154 /nfs/dbraw/zinc/71/31/54/619713154.db2.gz FNEDADQFLJCWKE-UHFFFAOYSA-N -1 3 284.693 3.009 20 10 CGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](C)c1ccccc1 ZINC000185789649 625441296 /nfs/dbraw/zinc/44/12/96/625441296.db2.gz FIUVVVBEPHDBLC-VXGBXAGGSA-N -1 3 285.343 3.020 20 10 CGCDHM C[C@H](N[C@@H](C)c1c([O-])cccc1F)c1cncs1 ZINC000903305377 621679081 /nfs/dbraw/zinc/67/90/81/621679081.db2.gz LKUGVBMVONEQSS-IUCAKERBSA-N -1 3 266.341 3.400 20 10 CGCDHM Cc1ccc(C(=O)Nc2ncccc2C(C)C)c([O-])c1O ZINC000780994936 628528981 /nfs/dbraw/zinc/52/89/81/628528981.db2.gz IKPMPKNJTWQDPG-UHFFFAOYSA-N -1 3 286.331 3.177 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCc2ncsc2C1 ZINC000783746036 628744237 /nfs/dbraw/zinc/74/42/37/628744237.db2.gz UZCNXWMRIGLJCQ-UHFFFAOYSA-N -1 3 280.780 3.060 20 10 CGCDHM CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000790646569 629222590 /nfs/dbraw/zinc/22/25/90/629222590.db2.gz NOGBLMJIJXNVOA-RYUDHWBXSA-N -1 3 277.364 3.042 20 10 CGCDHM CCC[N@H+](Cc1ccccc1[O-])[C@H](CC(C)C)C(=O)[O-] ZINC000863530195 629600088 /nfs/dbraw/zinc/60/00/88/629600088.db2.gz UNJXPJOHBONYTR-CQSZACIVSA-N -1 3 279.380 3.104 20 10 CGCDHM CCC[N@@H+](Cc1ccccc1[O-])[C@H](CC(C)C)C(=O)[O-] ZINC000863530195 629600089 /nfs/dbraw/zinc/60/00/89/629600089.db2.gz UNJXPJOHBONYTR-CQSZACIVSA-N -1 3 279.380 3.104 20 10 CGCDHM COc1ccc(NCc2c([O-])cccc2Cl)cn1 ZINC000127225540 635563467 /nfs/dbraw/zinc/56/34/67/635563467.db2.gz XRPYVHYLKSXJIY-UHFFFAOYSA-N -1 3 264.712 3.061 20 10 CGCDHM CO[C@]1(C)CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816595066 632019337 /nfs/dbraw/zinc/01/93/37/632019337.db2.gz YDOPYARTXHNSTL-CQSZACIVSA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1c(CN2CCOCC(F)(F)C2)ccc2ccccc21 ZINC000816613460 632025558 /nfs/dbraw/zinc/02/55/58/632025558.db2.gz VIKJNRVLHJIYHQ-UHFFFAOYSA-N -1 3 293.313 3.013 20 10 CGCDHM Cc1cc([O-])c(CN2CCC[C@H]2c2ncon2)cc1Cl ZINC000824656399 633269885 /nfs/dbraw/zinc/26/98/85/633269885.db2.gz IJLGGVVTRIPMFS-LBPRGKRZSA-N -1 3 293.754 3.074 20 10 CGCDHM Cc1cc([O-])c(CN[C@@H](C)C(F)(F)F)cc1Cl ZINC000825939527 633389724 /nfs/dbraw/zinc/38/97/24/633389724.db2.gz BXCKACHRTFZUTI-ZETCQYMHSA-N -1 3 267.678 3.394 20 10 CGCDHM C[C@@H](C[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-])C(=O)[O-] ZINC000840999173 635101776 /nfs/dbraw/zinc/10/17/76/635101776.db2.gz OYWWSLPLZNDEHR-ZDUSSCGKSA-N -1 3 299.370 3.212 20 10 CGCDHM C[C@@H](C[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-])C(=O)[O-] ZINC000840999173 635101780 /nfs/dbraw/zinc/10/17/80/635101780.db2.gz OYWWSLPLZNDEHR-ZDUSSCGKSA-N -1 3 299.370 3.212 20 10 CGCDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C2(CCC2)CO1 ZINC000846067552 636140459 /nfs/dbraw/zinc/14/04/59/636140459.db2.gz SVBZBAPUIKAFST-NSHDSACASA-N -1 3 281.783 3.189 20 10 CGCDHM CC(C)c1cc(CN[C@H](C)c2c([O-])cccc2F)on1 ZINC000886528159 637555307 /nfs/dbraw/zinc/55/53/07/637555307.db2.gz HWZJDIXPKGGISB-SNVBAGLBSA-N -1 3 278.327 3.494 20 10 CGCDHM COC[C@@H](N[C@@H](C)c1c([O-])cccc1F)c1ccc(C)o1 ZINC000886534825 637560080 /nfs/dbraw/zinc/56/00/80/637560080.db2.gz PEDDAPTUOJLQKG-WCQYABFASA-N -1 3 293.338 3.471 20 10 CGCDHM CCc1noc(C)c1CN[C@H](C)c1c([O-])cccc1F ZINC000886614357 637607108 /nfs/dbraw/zinc/60/71/08/637607108.db2.gz UVPZMGUJPKKIJE-SECBINFHSA-N -1 3 278.327 3.241 20 10 CGCDHM C/C(=C\C(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928708247 638889285 /nfs/dbraw/zinc/88/92/85/638889285.db2.gz JIKDDFXEXQWUTE-CSKARUKUSA-N -1 3 265.328 3.140 20 10 CGCDHM CO[C@H](C)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000188372713 640133445 /nfs/dbraw/zinc/13/34/45/640133445.db2.gz XYSNDNLNUWAXPY-SNVBAGLBSA-N -1 3 287.315 3.058 20 10 CGCDHM CC(C)c1cc(CNCc2c([O-])cccc2Cl)on1 ZINC000114510150 641000493 /nfs/dbraw/zinc/00/04/93/641000493.db2.gz XPAYWSVZGAEQFH-UHFFFAOYSA-N -1 3 280.755 3.447 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCCC(F)(F)C1 ZINC000404963126 799580270 /nfs/dbraw/zinc/58/02/70/799580270.db2.gz WGVNTLXLMGRYOJ-UHFFFAOYSA-N -1 3 261.699 3.277 20 10 CGCDHM CC[C@]1(C)COCCN1Cc1cc(Cl)ccc1[O-] ZINC000687973791 799743771 /nfs/dbraw/zinc/74/37/71/799743771.db2.gz MUPCHFOVNJKDIX-CQSZACIVSA-N -1 3 269.772 3.047 20 10 CGCDHM CC(C)O[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000703504467 799924545 /nfs/dbraw/zinc/92/45/45/799924545.db2.gz YUTPQRPKVNOPAX-GFCCVEGCSA-N -1 3 285.334 3.060 20 10 CGCDHM Cc1ccc(-c2nnc(-c3ccc(O)c(O)c3[O-])o2)cc1C ZINC001256530756 806910766 /nfs/dbraw/zinc/91/07/66/806910766.db2.gz DZMSOIORGDJELE-UHFFFAOYSA-N -1 3 298.298 3.137 20 10 CGCDHM [O-]c1cccc(F)c1CN1CCc2sccc2C1 ZINC001137832703 803777402 /nfs/dbraw/zinc/77/74/02/803777402.db2.gz DTOLKNHMDDIRLI-UHFFFAOYSA-N -1 3 263.337 3.151 20 10 CGCDHM CC1(C)CCC[C@@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC001142301017 804714809 /nfs/dbraw/zinc/71/48/09/804714809.db2.gz JKAAZHNDJYMLOH-LLVKDONJSA-N -1 3 277.364 3.044 20 10 CGCDHM CC(C)(C)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC001148219944 805168961 /nfs/dbraw/zinc/16/89/61/805168961.db2.gz HHIMCYVVZFRTOC-UHFFFAOYSA-N -1 3 299.370 3.325 20 10 CGCDHM [O-]c1c(O)cccc1-c1nnc(CCCc2ccccc2)o1 ZINC001257746484 807219874 /nfs/dbraw/zinc/21/98/74/807219874.db2.gz FUTAGVHFOOXASQ-UHFFFAOYSA-N -1 3 296.326 3.323 20 10 CGCDHM COc1cccc(NCc2c([O-])cccc2Cl)n1 ZINC001179135332 809906715 /nfs/dbraw/zinc/90/67/15/809906715.db2.gz NIDHXSAEEPIQOA-UHFFFAOYSA-N -1 3 264.712 3.061 20 10 CGCDHM CC(C)(C)c1ccc(C(=O)NCc2ccccc2O)c([O-])c1 ZINC001192336453 810787092 /nfs/dbraw/zinc/78/70/92/810787092.db2.gz XAKCQTGGTVAYBJ-UHFFFAOYSA-N -1 3 299.370 3.325 20 10 CGCDHM COc1cc(-c2noc(-c3cccc(O)c3[O-])n2)ccc1C ZINC001215145764 815489119 /nfs/dbraw/zinc/48/91/19/815489119.db2.gz HPVDQVDEERNUEE-UHFFFAOYSA-N -1 3 298.298 3.132 20 10 CGCDHM CCN(CC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC001203664040 812422026 /nfs/dbraw/zinc/42/20/26/812422026.db2.gz NKYQNIYENACMKE-UHFFFAOYSA-N -1 3 299.798 3.209 20 10 CGCDHM Cc1noc([C@H]2CCCN2Cc2ccc(Cl)cc2[O-])n1 ZINC001205722978 813059125 /nfs/dbraw/zinc/05/91/25/813059125.db2.gz YMVHJZRTZYDWHI-GFCCVEGCSA-N -1 3 293.754 3.074 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CC(CC(F)(F)F)C1 ZINC001206185517 813231776 /nfs/dbraw/zinc/23/17/76/813231776.db2.gz ADKJDMYFXHFKJZ-UHFFFAOYSA-N -1 3 281.224 3.055 20 10 CGCDHM [O-]c1cccc(Nc2cccc(O)c2O)c1Cl ZINC001210854228 814652520 /nfs/dbraw/zinc/65/25/20/814652520.db2.gz IZLAJVMTBDSMPK-UHFFFAOYSA-N -1 3 251.669 3.200 20 10 CGCDHM Cc1ccc(CC[N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc1 ZINC001231452463 818102602 /nfs/dbraw/zinc/10/26/02/818102602.db2.gz PMNUSQYUSXVPKJ-UHFFFAOYSA-N -1 3 299.370 3.073 20 10 CGCDHM Cc1ccc(CC[N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc1 ZINC001231452463 818102610 /nfs/dbraw/zinc/10/26/10/818102610.db2.gz PMNUSQYUSXVPKJ-UHFFFAOYSA-N -1 3 299.370 3.073 20 10 CGCDHM Cc1cc([O-])c(CN2Cc3ccncc3C2)cc1Cl ZINC001231870895 818193857 /nfs/dbraw/zinc/19/38/57/818193857.db2.gz WCRMMBDEIYEFBY-UHFFFAOYSA-N -1 3 274.751 3.265 20 10 CGCDHM CCN(Cc1ccccc1O)Cc1c(F)ccc([O-])c1F ZINC001233396788 818610126 /nfs/dbraw/zinc/61/01/26/818610126.db2.gz VZWCUFXTQSLMEG-UHFFFAOYSA-N -1 3 293.313 3.398 20 10 CGCDHM [O-]c1cc(Cl)c(F)cc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237935905 819886933 /nfs/dbraw/zinc/88/69/33/819886933.db2.gz GJRJEVWNQVEQTD-OVYXKVPISA-N -1 3 273.710 3.117 20 10 CGCDHM CC[C@H]1CC[C@H](C(=O)NCc2c([O-])cccc2F)CC1 ZINC001456029180 937424696 /nfs/dbraw/zinc/42/46/96/937424696.db2.gz KJWZPYAOMISOCS-HAQNSBGRSA-N -1 3 279.355 3.364 20 10 CGCDHM CC1(C)CN(Cc2cc(F)c(F)cc2[O-])[C@@H]1[C@H]1CCCO1 ZINC001308800635 933179756 /nfs/dbraw/zinc/17/97/56/933179756.db2.gz FDYVAQKKISFCOJ-HUUCEWRRSA-N -1 3 297.345 3.060 20 10 CGCDHM CC[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC001468510646 937729071 /nfs/dbraw/zinc/72/90/71/937729071.db2.gz VZXIDGWYRIRJBT-VXGBXAGGSA-N -1 3 277.364 3.044 20 10 CGCDHM C[C@H]([NH2+]Cc1ccc(C(=O)[O-])s1)c1ccccc1[O-] ZINC001599901264 984832162 /nfs/dbraw/zinc/83/21/62/984832162.db2.gz FDMQTESQSIPQTF-VIFPVBQESA-N -1 3 277.345 3.003 20 10 CGCDHM C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593224835 994343599 /nfs/dbraw/zinc/34/35/99/994343599.db2.gz RLZTZGMNKUVDJJ-MVWJERBFSA-N -1 3 281.327 3.022 20 10 CGCDHM C[C@H]([NH2+]C1CCCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593225243 994345344 /nfs/dbraw/zinc/34/53/44/994345344.db2.gz UKACFSHJIWHOBM-NSHDSACASA-N -1 3 277.364 3.464 20 10 CGCDHM [O-]c1ccccc1CN(C/C=C/Cl)C[C@H]1CCCO1 ZINC000135208623 371401602 /nfs/dbraw/zinc/40/16/02/371401602.db2.gz RTOQCLJBZJAQHH-YOIVXCQUSA-N -1 3 281.783 3.126 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H]1CCCc2c[nH]nc21 ZINC000293662376 372443161 /nfs/dbraw/zinc/44/31/61/372443161.db2.gz PPZLPWJALKIICM-GFCCVEGCSA-N -1 3 295.745 3.075 20 10 CGCDHM CO[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000294743602 372669928 /nfs/dbraw/zinc/66/99/28/372669928.db2.gz QYKLCZMCYWCMBN-GXSJLCMTSA-N -1 3 287.762 3.184 20 10 CGCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1ccccc1[O-] ZINC000436846599 372840389 /nfs/dbraw/zinc/84/03/89/372840389.db2.gz CDFJDYKMKDOIKB-UHFFFAOYSA-N -1 3 294.354 3.122 20 10 CGCDHM COC[C@@H](NCc1cc(Cl)cc(C)c1[O-])c1ccco1 ZINC000182531875 374288222 /nfs/dbraw/zinc/28/82/22/374288222.db2.gz TYPMFWAVJFUXIN-CYBMUJFWSA-N -1 3 295.766 3.424 20 10 CGCDHM C[C@@H](N[C@@H](CCO)c1ccco1)c1ccc(F)c(F)c1[O-] ZINC000187923370 375117013 /nfs/dbraw/zinc/11/70/13/375117013.db2.gz CVDXBAFYZRLIPA-SKDRFNHKSA-N -1 3 297.301 3.038 20 10 CGCDHM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000189907046 375459060 /nfs/dbraw/zinc/45/90/60/375459060.db2.gz VMNMZJOCUCEPCT-JSGCOSHPSA-N -1 3 297.354 3.116 20 10 CGCDHM Cc1c([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2[O-])cnn1C ZINC000191201090 375594168 /nfs/dbraw/zinc/59/41/68/375594168.db2.gz HFDMQROSBACTPX-DTWKUNHWSA-N -1 3 295.333 3.124 20 10 CGCDHM CCC[C@H](C)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193138562 375831682 /nfs/dbraw/zinc/83/16/82/375831682.db2.gz KHCBZTPEMAEGAQ-WCQYABFASA-N -1 3 277.364 3.139 20 10 CGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc(C)ccn2)c1 ZINC000273469418 378748744 /nfs/dbraw/zinc/74/87/44/378748744.db2.gz JJLSYOJKSPZAKU-NSHDSACASA-N -1 3 286.331 3.055 20 10 CGCDHM [O-]c1ccccc1CN1CCC[C@H]1c1nccs1 ZINC000378493173 379832644 /nfs/dbraw/zinc/83/26/44/379832644.db2.gz HZCLRXVAGAAHCC-LBPRGKRZSA-N -1 3 260.362 3.186 20 10 CGCDHM CCc1nnc([C@@H](C)N[C@@H](CC)c2ccc(F)cc2[O-])[nH]1 ZINC000286174793 380171338 /nfs/dbraw/zinc/17/13/38/380171338.db2.gz QBJYEKNYWBLPOR-SKDRFNHKSA-N -1 3 292.358 3.014 20 10 CGCDHM CC[C@H](N[C@H](CCO)c1ccco1)c1ccc(F)cc1[O-] ZINC000285903260 380153500 /nfs/dbraw/zinc/15/35/00/380153500.db2.gz BLABSLDUPMXQGA-UONOGXRCSA-N -1 3 293.338 3.289 20 10 CGCDHM CCc1cnc(CN[C@H](C)c2cc(F)ccc2[O-])s1 ZINC000185584794 262305786 /nfs/dbraw/zinc/30/57/86/262305786.db2.gz SHCXLNPAZVLWCB-SECBINFHSA-N -1 3 280.368 3.401 20 10 CGCDHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)c([O-])c1O ZINC000177666908 392664837 /nfs/dbraw/zinc/66/48/37/392664837.db2.gz CSCVYZXHWYDZEL-OAHLLOKOSA-N -1 3 297.354 3.384 20 10 CGCDHM [O-]c1ccccc1CN1CCSC[C@H]1c1nccs1 ZINC000186640957 262103244 /nfs/dbraw/zinc/10/32/44/262103244.db2.gz YMEJORWVOHJWHQ-LBPRGKRZSA-N -1 3 292.429 3.139 20 10 CGCDHM CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000279080841 287686116 /nfs/dbraw/zinc/68/61/16/287686116.db2.gz DYTHNSADLUCCPK-AAEUAGOBSA-N -1 3 277.364 3.139 20 10 CGCDHM O=C(NCc1cc(Cl)ccc1[O-])[C@@H]1CCCC12CC2 ZINC000529511435 328534830 /nfs/dbraw/zinc/53/48/30/328534830.db2.gz IVWLLFDFMUYFNG-LBPRGKRZSA-N -1 3 279.767 3.242 20 10 CGCDHM CCn1ncc(CN[C@H](C)c2ccc3ccccc3c2[O-])n1 ZINC000527924998 330296398 /nfs/dbraw/zinc/29/63/98/330296398.db2.gz SRHJFWNQUZAEKR-GFCCVEGCSA-N -1 3 296.374 3.008 20 10 CGCDHM Cc1ncccc1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000527987938 330299075 /nfs/dbraw/zinc/29/90/75/330299075.db2.gz QFJCQBMXTDUKKD-NSHDSACASA-N -1 3 260.312 3.086 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC2(CCCC2)CC1 ZINC000738555183 572378183 /nfs/dbraw/zinc/37/81/83/572378183.db2.gz ZZFKEKCTJIHMNB-UHFFFAOYSA-N -1 3 265.378 3.250 20 10 CGCDHM CCOc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000731870636 572430131 /nfs/dbraw/zinc/43/01/31/572430131.db2.gz LRDNPESIIDQLOY-UHFFFAOYSA-N -1 3 263.318 3.105 20 10 CGCDHM O=C(OCc1cccc(Cl)c1)c1cc([O-])cs1 ZINC000731911216 572436009 /nfs/dbraw/zinc/43/60/09/572436009.db2.gz GKRIFEUMHYSDJF-UHFFFAOYSA-N -1 3 268.721 3.464 20 10 CGCDHM Cc1nnc(CN(Cc2ccccc2[O-])C2CCCC2)o1 ZINC000732205069 572451514 /nfs/dbraw/zinc/45/15/14/572451514.db2.gz ZADNDXWDYVYAQW-UHFFFAOYSA-N -1 3 287.363 3.028 20 10 CGCDHM CCCOc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000732271163 572455809 /nfs/dbraw/zinc/45/58/09/572455809.db2.gz DRBLYPZYPKZVAG-UHFFFAOYSA-N -1 3 277.345 3.495 20 10 CGCDHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc([O-])cs1 ZINC000732275669 572457023 /nfs/dbraw/zinc/45/70/23/572457023.db2.gz GXBWRMKEGRHZDJ-ZDUSSCGKSA-N -1 3 273.357 3.179 20 10 CGCDHM Cn1ccnc1-c1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000732274997 572457233 /nfs/dbraw/zinc/45/72/33/572457233.db2.gz WMYKNTNTYNNAGG-UHFFFAOYSA-N -1 3 299.355 3.107 20 10 CGCDHM CSc1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000732276741 572457341 /nfs/dbraw/zinc/45/73/41/572457341.db2.gz ZJTPFZOZLTWWLL-UHFFFAOYSA-N -1 3 279.386 3.106 20 10 CGCDHM CC(C)(CNC(=O)c1cc([O-])cs1)c1ccc(F)cc1 ZINC000732286186 572458974 /nfs/dbraw/zinc/45/89/74/572458974.db2.gz ORYPFOBJVSZBDN-UHFFFAOYSA-N -1 3 293.363 3.300 20 10 CGCDHM CC(C)(CNC(=O)c1cc([O-])cs1)c1cccc(F)c1 ZINC000735702776 572738316 /nfs/dbraw/zinc/73/83/16/572738316.db2.gz PPMCPEYKAFVOIQ-UHFFFAOYSA-N -1 3 293.363 3.300 20 10 CGCDHM C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cc([O-])cs1 ZINC000736680085 572804406 /nfs/dbraw/zinc/80/44/06/572804406.db2.gz YGUCYWANESHXKA-OTYXRUKQSA-N -1 3 273.357 3.117 20 10 CGCDHM C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)c1cc([O-])cs1 ZINC000748419858 572976250 /nfs/dbraw/zinc/97/62/50/572976250.db2.gz RPTAZWVUDJWEKD-GDGBQDQQSA-N -1 3 253.367 3.008 20 10 CGCDHM CCS[C@H]1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000748857671 572986837 /nfs/dbraw/zinc/98/68/37/572986837.db2.gz DUEBLSGJHBXZHR-KOLCDFICSA-N -1 3 285.434 3.248 20 10 CGCDHM CCO[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775634250 619082115 /nfs/dbraw/zinc/08/21/15/619082115.db2.gz QDTAJUSEMBZZKL-LBPRGKRZSA-N -1 3 287.762 3.186 20 10 CGCDHM Cc1cc([O-])c(CN(C)Cc2cccnc2)c(Cl)c1 ZINC000840937159 619227584 /nfs/dbraw/zinc/22/75/84/619227584.db2.gz PGAHXMLDCMYYBI-UHFFFAOYSA-N -1 3 276.767 3.381 20 10 CGCDHM Cc1cccc2nc(CN[C@H](C)c3ccc(F)cc3[O-])cn21 ZINC000185412434 625356956 /nfs/dbraw/zinc/35/69/56/625356956.db2.gz DUJMFIXQTFPRGG-GFCCVEGCSA-N -1 3 299.349 3.338 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@H](OC2CCC2)C1 ZINC000895185680 619773024 /nfs/dbraw/zinc/77/30/24/619773024.db2.gz CCWHWGQSDMWCJO-AWEZNQCLSA-N -1 3 297.345 3.204 20 10 CGCDHM CO[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)[C@H](C)C1 ZINC000799736222 620303901 /nfs/dbraw/zinc/30/39/01/620303901.db2.gz IMHZNPZMNATQNN-ZJUUUORDSA-N -1 3 287.762 3.184 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1ccc2c(c1)OCCO2 ZINC000083552058 625645997 /nfs/dbraw/zinc/64/59/97/625645997.db2.gz CNQBAOLAVJYZFA-UHFFFAOYSA-N -1 3 291.734 3.429 20 10 CGCDHM C[C@H](N[C@H](CO)c1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000769990663 627596030 /nfs/dbraw/zinc/59/60/30/627596030.db2.gz VVJYNLWLVMLXEA-ISVAXAHUSA-N -1 3 299.342 3.116 20 10 CGCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2cscc2Cl)c1 ZINC000776151105 628170888 /nfs/dbraw/zinc/17/08/88/628170888.db2.gz FIPDSYGJCIKQQM-UHFFFAOYSA-N -1 3 298.751 3.305 20 10 CGCDHM O=C(N[C@@H](CC1CC1)c1ccccc1)c1cccc(O)c1[O-] ZINC000790796049 629231404 /nfs/dbraw/zinc/23/14/04/629231404.db2.gz PLFJPABESMDRDZ-HNNXBMFYSA-N -1 3 297.354 3.369 20 10 CGCDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])C1=CCCCC1 ZINC000790936404 629242278 /nfs/dbraw/zinc/24/22/78/629242278.db2.gz AHNJKQPQWMKTAL-UHFFFAOYSA-N -1 3 289.375 3.354 20 10 CGCDHM CO[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[C@@H]1C ZINC000792180386 629345720 /nfs/dbraw/zinc/34/57/20/629345720.db2.gz QZTPCWAXEPSXOM-TVQRCGJNSA-N -1 3 287.762 3.042 20 10 CGCDHM CC1(C)CCC(C)(C)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000862586550 629414831 /nfs/dbraw/zinc/41/48/31/629414831.db2.gz BDONJZRRNFWHLU-UHFFFAOYSA-N -1 3 277.364 3.139 20 10 CGCDHM CC[C@@H](NCc1ccn(C)n1)c1cccc(Cl)c1[O-] ZINC000806149570 630549322 /nfs/dbraw/zinc/54/93/22/630549322.db2.gz FYNSHZZCTKRPJY-CYBMUJFWSA-N -1 3 279.771 3.020 20 10 CGCDHM C[C@H]1CSCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816512128 631997272 /nfs/dbraw/zinc/99/72/72/631997272.db2.gz XWMDFTBRFPVVOZ-QMMMGPOBSA-N -1 3 275.776 3.122 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1CCCn2nccc21 ZINC000865873000 632933577 /nfs/dbraw/zinc/93/35/77/632933577.db2.gz YRHFROFHEBPVNH-NSHDSACASA-N -1 3 295.745 3.006 20 10 CGCDHM Cc1cc([O-])c(CN2CCC[C@@H]2c2ncc[nH]2)cc1Cl ZINC000825515118 633361124 /nfs/dbraw/zinc/36/11/24/633361124.db2.gz XSCNWSNPMMBCMV-CYBMUJFWSA-N -1 3 291.782 3.414 20 10 CGCDHM COc1ccc(NCc2c([O-])cccc2Cl)cc1CO ZINC000122340544 633376997 /nfs/dbraw/zinc/37/69/97/633376997.db2.gz SVGISCHCTAUCJA-UHFFFAOYSA-N -1 3 293.750 3.159 20 10 CGCDHM C[C@@]1(C2CC2)CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000826878012 633439910 /nfs/dbraw/zinc/43/99/10/633439910.db2.gz QJQSUUDUHKINRJ-HNNXBMFYSA-N -1 3 281.783 3.047 20 10 CGCDHM CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc(F)ccc1[O-] ZINC000846119065 636147697 /nfs/dbraw/zinc/14/76/97/636147697.db2.gz WSAIIDGCDDUWIM-CYBMUJFWSA-N -1 3 297.370 3.083 20 10 CGCDHM [O-]c1ccc(Cl)cc1CNCc1nnc(C2CC2)s1 ZINC000840973712 635098169 /nfs/dbraw/zinc/09/81/69/635098169.db2.gz SVGYQNACHUGUFO-UHFFFAOYSA-N -1 3 295.795 3.064 20 10 CGCDHM CCn1cc(N[C@@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841750525 635225296 /nfs/dbraw/zinc/22/52/96/635225296.db2.gz RPXOVHSMYNOAAG-VIFPVBQESA-N -1 3 265.744 3.435 20 10 CGCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C2(CCC2)CO1 ZINC000846067551 636140595 /nfs/dbraw/zinc/14/05/95/636140595.db2.gz SVBZBAPUIKAFST-LLVKDONJSA-N -1 3 281.783 3.189 20 10 CGCDHM O=c1cc(CSc2ncc(Cl)s2)nc(C2CC2)[n-]1 ZINC000850002265 636926179 /nfs/dbraw/zinc/92/61/79/636926179.db2.gz YSRVCFUCXDYVQE-UHFFFAOYSA-N -1 3 299.808 3.462 20 10 CGCDHM Cc1sc(NC(=O)c2cccc(O)c2[O-])nc1C(C)C ZINC000855236699 638160521 /nfs/dbraw/zinc/16/05/21/638160521.db2.gz AZESAUBUCKMOJC-UHFFFAOYSA-N -1 3 292.360 3.238 20 10 CGCDHM CCc1onc(C)c1CN[C@H](C)c1c([O-])cccc1F ZINC000927130878 638845976 /nfs/dbraw/zinc/84/59/76/638845976.db2.gz HOOADXHODISJHG-SNVBAGLBSA-N -1 3 278.327 3.241 20 10 CGCDHM CCC1(C(=O)NCc2c([O-])cccc2F)CCCC1 ZINC000928706489 638889451 /nfs/dbraw/zinc/88/94/51/638889451.db2.gz UNYJBAALYPKXSA-UHFFFAOYSA-N -1 3 265.328 3.118 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCC=CCCC1 ZINC000928709928 638889682 /nfs/dbraw/zinc/88/96/82/638889682.db2.gz OAEKKWWYHXCTCQ-LBPRGKRZSA-N -1 3 277.339 3.284 20 10 CGCDHM [O-]c1c(F)cccc1CNc1ccc(Cl)cn1 ZINC000083393903 798939459 /nfs/dbraw/zinc/93/94/59/798939459.db2.gz JGLFUUXFZCMDDU-UHFFFAOYSA-N -1 3 252.676 3.192 20 10 CGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CC2CCC1CC2 ZINC000381561220 799381668 /nfs/dbraw/zinc/38/16/68/799381668.db2.gz WMHLLBZULCIWDK-NPZBDFSRSA-N -1 3 289.375 3.042 20 10 CGCDHM CC[C@@H]1CN(Cc2cccc(Cl)c2[O-])[C@@H](CC)CO1 ZINC000403891382 799572057 /nfs/dbraw/zinc/57/20/57/799572057.db2.gz WZFOLKDVBCXFAO-QWHCGFSZSA-N -1 3 283.799 3.435 20 10 CGCDHM C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CC(C)(C)C1 ZINC000709391725 800008465 /nfs/dbraw/zinc/00/84/65/800008465.db2.gz IHRNXBHSTNNPGD-MNOVXSKESA-N -1 3 277.364 3.042 20 10 CGCDHM CCOc1ncc(C)cc1NCc1cc(F)c(F)cc1[O-] ZINC001205999585 813159783 /nfs/dbraw/zinc/15/97/83/813159783.db2.gz ZZXJLBCVZFOQRA-UHFFFAOYSA-N -1 3 294.301 3.385 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CC2(C1)CC(F)(F)C2 ZINC001140338014 804418498 /nfs/dbraw/zinc/41/84/98/804418498.db2.gz QXWGZGCVIJSFDJ-UHFFFAOYSA-N -1 3 273.710 3.277 20 10 CGCDHM CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC001142066559 804693477 /nfs/dbraw/zinc/69/34/77/804693477.db2.gz UFSZGBBKNDJSJU-VXGBXAGGSA-N -1 3 277.364 3.042 20 10 CGCDHM CC(C)(C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001142777868 804770421 /nfs/dbraw/zinc/77/04/21/804770421.db2.gz GSECLAUDOYEHQZ-UHFFFAOYSA-N -1 3 292.766 3.256 20 10 CGCDHM C[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299310 804970631 /nfs/dbraw/zinc/97/06/31/804970631.db2.gz VXQPETPZMSZANP-QMMMGPOBSA-N -1 3 288.160 3.136 20 10 CGCDHM O=C(Nc1ccc(C2CCC2)nc1)c1cccc(O)c1[O-] ZINC001148212336 805167641 /nfs/dbraw/zinc/16/76/41/805167641.db2.gz XWNQOXHKPPMLGW-UHFFFAOYSA-N -1 3 284.315 3.013 20 10 CGCDHM CN(Cc1cncs1)Cc1cc(Cl)ccc1[O-] ZINC001203664348 812422790 /nfs/dbraw/zinc/42/27/90/812422790.db2.gz AASJRRDWTSZRFF-UHFFFAOYSA-N -1 3 268.769 3.134 20 10 CGCDHM CC[C@H](NCc1ccc(Cl)cc1[O-])C(=O)OC(C)(C)C ZINC001206403371 813315336 /nfs/dbraw/zinc/31/53/36/813315336.db2.gz QQKWHFXMAPGYRG-LBPRGKRZSA-N -1 3 299.798 3.256 20 10 CGCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC001231452027 818102690 /nfs/dbraw/zinc/10/26/90/818102690.db2.gz BAHQHWJOVFHDDB-DOMZBBRYSA-N -1 3 289.375 3.245 20 10 CGCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC001231452027 818102695 /nfs/dbraw/zinc/10/26/95/818102695.db2.gz BAHQHWJOVFHDDB-DOMZBBRYSA-N -1 3 289.375 3.245 20 10 CGCDHM O=C1CN(Cc2ccc3ccccc3c2[O-])CCC[C@@H]1F ZINC001231879682 818199923 /nfs/dbraw/zinc/19/99/23/818199923.db2.gz NOHNEIJFKNRSSE-HNNXBMFYSA-N -1 3 287.334 3.048 20 10 CGCDHM [O-]c1cccc2c1C[N@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC001231914282 818210908 /nfs/dbraw/zinc/21/09/08/818210908.db2.gz KNWGXTJHGFNTHE-UHFFFAOYSA-N -1 3 289.762 3.310 20 10 CGCDHM [O-]c1cccc2c1C[N@@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC001231914282 818210916 /nfs/dbraw/zinc/21/09/16/818210916.db2.gz KNWGXTJHGFNTHE-UHFFFAOYSA-N -1 3 289.762 3.310 20 10 CGCDHM C[C@H]1CCCN1Cc1c([O-])cc(Br)cc1F ZINC001233026647 818502354 /nfs/dbraw/zinc/50/23/54/818502354.db2.gz BCJLSALBQLTLNM-QMMMGPOBSA-N -1 3 288.160 3.278 20 10 CGCDHM CC[N@H+](Cc1ccccc1[O-])Cc1ccc(F)c(F)c1[O-] ZINC001233078027 818519009 /nfs/dbraw/zinc/51/90/09/818519009.db2.gz DARNKMFVOUQRAF-UHFFFAOYSA-N -1 3 293.313 3.398 20 10 CGCDHM CC[N@@H+](Cc1ccccc1[O-])Cc1ccc(F)c(F)c1[O-] ZINC001233078027 818519016 /nfs/dbraw/zinc/51/90/16/818519016.db2.gz DARNKMFVOUQRAF-UHFFFAOYSA-N -1 3 293.313 3.398 20 10 CGCDHM CN(Cc1cccs1)Cc1c([O-])ccc(F)c1F ZINC001233334893 818584897 /nfs/dbraw/zinc/58/48/97/818584897.db2.gz YMTKFDMECDYCSF-UHFFFAOYSA-N -1 3 269.316 3.364 20 10 CGCDHM O=C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416438 818615294 /nfs/dbraw/zinc/61/52/94/818615294.db2.gz IDYIAFINMGOIBA-PHIMTYICSA-N -1 3 299.292 3.107 20 10 CGCDHM Cc1cc([O-])c(CN2CC[C@@H](F)C2)cc1Br ZINC001237676565 819804371 /nfs/dbraw/zinc/80/43/71/819804371.db2.gz KWTSKRFVHJUARO-SNVBAGLBSA-N -1 3 288.160 3.007 20 10 CGCDHM [O-]c1cc(Cl)c(F)cc1CN1CCC[C@H]2C[C@H]21 ZINC001237939317 819888975 /nfs/dbraw/zinc/88/89/75/819888975.db2.gz AQAYLYMRHMOJLA-QPUJVOFHSA-N -1 3 255.720 3.169 20 10 CGCDHM CC[C@@H]1CN(Cc2c([O-])cc(C)cc2Cl)C[C@@H](C)O1 ZINC001474382461 937205490 /nfs/dbraw/zinc/20/54/90/937205490.db2.gz KFLHATMBQKDNJN-VXGBXAGGSA-N -1 3 283.799 3.353 20 10 CGCDHM CCCCCCO[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC001303876108 932836875 /nfs/dbraw/zinc/83/68/75/932836875.db2.gz VCXYNPHVHVXZQV-LBPRGKRZSA-N -1 3 297.370 3.133 20 10 CGCDHM [O-]c1cccc(F)c1CNc1nc2c(cccc2F)o1 ZINC001307214694 932930691 /nfs/dbraw/zinc/93/06/91/932930691.db2.gz PWBYOSRBKFXIHS-UHFFFAOYSA-N -1 3 276.242 3.424 20 10 CGCDHM C[C@@H]1CCC[C@H](NC(=O)NCc2c([O-])cccc2F)[C@@H]1C ZINC001311418753 933297989 /nfs/dbraw/zinc/29/79/89/933297989.db2.gz RJGYDQIJBKWNOV-GYSYKLTISA-N -1 3 294.370 3.155 20 10 CGCDHM O=C(Cc1ccccc1Cl)NCc1c([O-])cccc1F ZINC001471974957 937771182 /nfs/dbraw/zinc/77/11/82/937771182.db2.gz MFSOVQGOPITSSU-UHFFFAOYSA-N -1 3 293.725 3.044 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CCOC[C@H]1C1CCC1 ZINC001560900136 938282738 /nfs/dbraw/zinc/28/27/38/938282738.db2.gz LYRFDMPLQRJOIN-AWEZNQCLSA-N -1 3 281.783 3.047 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@H](OC2CCC2)C1 ZINC001560908837 938283395 /nfs/dbraw/zinc/28/33/95/938283395.db2.gz BYUJOTDZPMXFGW-ZDUSSCGKSA-N -1 3 297.345 3.204 20 10 CGCDHM CC[C@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1ccc(C)cc1[O-] ZINC001589568109 964001045 /nfs/dbraw/zinc/00/10/45/964001045.db2.gz KCVLBANWAPSRFC-PIMMBPRGSA-N -1 3 291.391 3.385 20 10 CGCDHM C[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593203448 994186949 /nfs/dbraw/zinc/18/69/49/994186949.db2.gz DSQMIAXGLQFCDH-QLJPJBMISA-N -1 3 289.375 3.320 20 10 CGCDHM C[C@@H]([NH2+]C1CCCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593225241 994345631 /nfs/dbraw/zinc/34/56/31/994345631.db2.gz UKACFSHJIWHOBM-LLVKDONJSA-N -1 3 277.364 3.464 20 10 CGCDHM C[C@H]([NH2+]C[C@H]1CCCCS1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257759 994535596 /nfs/dbraw/zinc/53/55/96/994535596.db2.gz SWWAOCCCNCCWIP-CMPLNLGQSA-N -1 3 295.404 3.027 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1C[C@@H](CO)c2ccccc21 ZINC000293888831 372512205 /nfs/dbraw/zinc/51/22/05/372512205.db2.gz KFVSUABODOYYSI-NSHDSACASA-N -1 3 289.762 3.142 20 10 CGCDHM CCOC(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1[O-] ZINC000171937103 372860518 /nfs/dbraw/zinc/86/05/18/372860518.db2.gz UUBMSOLLRSBGBP-KRWDZBQOSA-N -1 3 299.370 3.128 20 10 CGCDHM Cc1ccc([C@@H]2COCCN2Cc2cc(F)ccc2[O-])o1 ZINC000180166497 373971819 /nfs/dbraw/zinc/97/18/19/373971819.db2.gz NCSDXCNEBCYQFV-AWEZNQCLSA-N -1 3 291.322 3.006 20 10 CGCDHM CCN(Cc1cc(Cl)cc(OC)c1[O-])CC(F)(F)F ZINC000228629805 376444458 /nfs/dbraw/zinc/44/44/58/376444458.db2.gz SOWCLEPWLSSGHQ-UHFFFAOYSA-N -1 3 297.704 3.438 20 10 CGCDHM CC1=C(c2ccco2)CN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000374551101 379459563 /nfs/dbraw/zinc/45/95/63/379459563.db2.gz KVKHWFNXLDRDPW-UHFFFAOYSA-N -1 3 299.326 3.010 20 10 CGCDHM CCCCN(Cc1ccon1)Cc1ccccc1[O-] ZINC000282523075 379938563 /nfs/dbraw/zinc/93/85/63/379938563.db2.gz UDKVCAWZZSGZEU-UHFFFAOYSA-N -1 3 260.337 3.183 20 10 CGCDHM Cc1noc(C(C)(C)NCc2cc(Cl)cc(C)c2[O-])n1 ZINC000285318440 380148526 /nfs/dbraw/zinc/14/85/26/380148526.db2.gz WURSMFPGNSRFRV-UHFFFAOYSA-N -1 3 295.770 3.070 20 10 CGCDHM CO[C@@H](C)c1nc(CN(C)Cc2ccccc2[O-])cs1 ZINC000177676228 392666203 /nfs/dbraw/zinc/66/62/03/392666203.db2.gz LLLOBXBVMXWJRK-NSHDSACASA-N -1 3 292.404 3.188 20 10 CGCDHM CCc1ccc([C@H](COC)NCc2ccccc2[O-])o1 ZINC000174480225 392642377 /nfs/dbraw/zinc/64/23/77/392642377.db2.gz VKNAFZOUGUWMGP-AWEZNQCLSA-N -1 3 275.348 3.025 20 10 CGCDHM [O-]c1ccccc1CN1CCO[C@@H](c2cccs2)C1 ZINC000179564497 392702793 /nfs/dbraw/zinc/70/27/93/392702793.db2.gz PXSUCAKSQBALEU-CQSZACIVSA-N -1 3 275.373 3.027 20 10 CGCDHM C[C@H]1CN(Cc2ccccc2[O-])C[C@H](c2ccsc2)O1 ZINC000179582211 392703854 /nfs/dbraw/zinc/70/38/54/392703854.db2.gz BMTAIFFPNQFUGS-BLLLJJGKSA-N -1 3 289.400 3.416 20 10 CGCDHM C[C@H](N[C@H](CCO)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000186558651 262099029 /nfs/dbraw/zinc/09/90/29/262099029.db2.gz CRPWLENWWKRMGF-GXFFZTMASA-N -1 3 295.766 3.413 20 10 CGCDHM CCCCN(Cc1ncc(C)o1)Cc1ccccc1[O-] ZINC000282481778 263076952 /nfs/dbraw/zinc/07/69/52/263076952.db2.gz OYXUKXBXSHSBOV-UHFFFAOYSA-N -1 3 274.364 3.491 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2ccccc2)CC1 ZINC000186863299 329350848 /nfs/dbraw/zinc/35/08/48/329350848.db2.gz FHJKEUZCBOSQOB-UHFFFAOYSA-N -1 3 297.354 3.118 20 10 CGCDHM COc1ccccc1[C@H](C)NCc1cccc(F)c1[O-] ZINC000164933828 331305508 /nfs/dbraw/zinc/30/55/08/331305508.db2.gz FRDZBSFSLKQREI-NSHDSACASA-N -1 3 275.323 3.391 20 10 CGCDHM Cc1ccc(/C=C/C(=O)N2CCCc3cccc([O-])c32)cn1 ZINC000492345758 332393523 /nfs/dbraw/zinc/39/35/23/332393523.db2.gz YLYUVPQJBOWWAE-MDZDMXLPSA-N -1 3 294.354 3.088 20 10 CGCDHM CC(C)n1cc(NCc2cc(Cl)ccc2[O-])cn1 ZINC000061682663 519966111 /nfs/dbraw/zinc/96/61/11/519966111.db2.gz RGEPSARBIDEKON-UHFFFAOYSA-N -1 3 265.744 3.435 20 10 CGCDHM CCC1(CC)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126402000 521686635 /nfs/dbraw/zinc/68/66/35/521686635.db2.gz HLISFISXOCPKQP-UHFFFAOYSA-N -1 3 277.364 3.140 20 10 CGCDHM CCc1nocc1CN(C)Cc1c([O-])cccc1Cl ZINC000293541938 522932016 /nfs/dbraw/zinc/93/20/16/522932016.db2.gz CXBHXPFLDWRUED-UHFFFAOYSA-N -1 3 280.755 3.228 20 10 CGCDHM Cc1ccc(CN[C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000062748548 524592928 /nfs/dbraw/zinc/59/29/28/524592928.db2.gz YQELBXSHUZRBLU-NSHDSACASA-N -1 3 260.312 3.086 20 10 CGCDHM CCOc1ccc(CN[C@H](C)c2nc(C)cs2)c([O-])c1 ZINC000727837165 571772464 /nfs/dbraw/zinc/77/24/64/571772464.db2.gz MGCSVCILDJRAIN-LLVKDONJSA-N -1 3 292.404 3.407 20 10 CGCDHM CC(C)Oc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000731871504 572431099 /nfs/dbraw/zinc/43/10/99/572431099.db2.gz GNZADNPRHCFUPB-UHFFFAOYSA-N -1 3 277.345 3.493 20 10 CGCDHM C[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc([O-])cs1 ZINC000732267769 572455930 /nfs/dbraw/zinc/45/59/30/572455930.db2.gz VHELCHXJFWGSRU-ONGXEEELSA-N -1 3 253.367 3.104 20 10 CGCDHM C[C@@H](Cc1ccccc1Cl)NC(=O)c1cc([O-])cs1 ZINC000732270148 572456214 /nfs/dbraw/zinc/45/62/14/572456214.db2.gz KMDXCCJJTVIXMV-VIFPVBQESA-N -1 3 295.791 3.468 20 10 CGCDHM CCC1CCC(CNC(=O)c2cc([O-])cs2)CC1 ZINC000732274923 572456632 /nfs/dbraw/zinc/45/66/32/572456632.db2.gz CWZKPCYOJYCHFA-UHFFFAOYSA-N -1 3 267.394 3.400 20 10 CGCDHM Cc1cc(C)c(CCNC(=O)c2cc([O-])cs2)c(C)c1 ZINC000732274835 572457244 /nfs/dbraw/zinc/45/72/44/572457244.db2.gz ULZCHWFMTPNVMY-UHFFFAOYSA-N -1 3 289.400 3.351 20 10 CGCDHM CCc1ccc(C(=O)COC(=O)c2cc([O-])cs2)cc1 ZINC000732353030 572461244 /nfs/dbraw/zinc/46/12/44/572461244.db2.gz KMOCEUGJKWRKLU-UHFFFAOYSA-N -1 3 290.340 3.056 20 10 CGCDHM C[C@@H]1CCCC[C@H]1CCNC(=O)c1cc([O-])cs1 ZINC000734017719 572624643 /nfs/dbraw/zinc/62/46/43/572624643.db2.gz PFQPBEBEIOHSEO-MNOVXSKESA-N -1 3 267.394 3.400 20 10 CGCDHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc([O-])cs1 ZINC000743603569 572673399 /nfs/dbraw/zinc/67/33/99/572673399.db2.gz DMXWJKJIYXSPMW-VHSXEESVSA-N -1 3 253.367 3.104 20 10 CGCDHM CCC(CC)c1cc(CNC(=O)c2cc([O-])cs2)on1 ZINC000743685424 572678691 /nfs/dbraw/zinc/67/86/91/572678691.db2.gz ATIAOSLSYLPALV-UHFFFAOYSA-N -1 3 294.376 3.275 20 10 CGCDHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000748857455 572986845 /nfs/dbraw/zinc/98/68/45/572986845.db2.gz ASBPOQKEAQGDCX-MWLCHTKSSA-N -1 3 267.394 3.398 20 10 CGCDHM Cc1ccc(C(=O)Nc2ccc3[nH]ccc3c2)c([O-])c1O ZINC000177668752 618834774 /nfs/dbraw/zinc/83/47/74/618834774.db2.gz AFRJVTWSBGIFJK-UHFFFAOYSA-N -1 3 282.299 3.140 20 10 CGCDHM CC1(C)CN(Cc2cc(F)cc(F)c2[O-])[C@H]1[C@H]1CCCO1 ZINC000894789858 619632977 /nfs/dbraw/zinc/63/29/77/619632977.db2.gz LHACLHPUJBSWSI-HIFRSBDPSA-N -1 3 297.345 3.060 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CC(C(F)(F)F)C1 ZINC000894892131 619671362 /nfs/dbraw/zinc/67/13/62/619671362.db2.gz KNJVVKKVZFHGCL-UHFFFAOYSA-N -1 3 265.662 3.040 20 10 CGCDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](C2CC2)O1 ZINC000793219892 619706338 /nfs/dbraw/zinc/70/63/38/619706338.db2.gz PJMUCRVACHITAB-ZUZCIYMTSA-N -1 3 281.783 3.045 20 10 CGCDHM CC[C@H](CC(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928705683 620207850 /nfs/dbraw/zinc/20/78/50/620207850.db2.gz KZDQLFOHEGDUGP-LLVKDONJSA-N -1 3 267.344 3.220 20 10 CGCDHM CN(Cc1ccccn1)Cc1c([O-])cccc1Cl ZINC000757890010 626812558 /nfs/dbraw/zinc/81/25/58/626812558.db2.gz NVVAYSWOTKBUHV-UHFFFAOYSA-N -1 3 262.740 3.073 20 10 CGCDHM CN(Cc1cccn1C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775713430 628128302 /nfs/dbraw/zinc/12/83/02/628128302.db2.gz NPEHSFIKFGIHJG-UHFFFAOYSA-N -1 3 282.746 3.155 20 10 CGCDHM CC[C@]1(O)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000779215528 628394956 /nfs/dbraw/zinc/39/49/56/628394956.db2.gz AOXBPUQPRBCEDU-ZDUSSCGKSA-N -1 3 290.190 3.046 20 10 CGCDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])Cc1ccccc1 ZINC000790739796 629226937 /nfs/dbraw/zinc/22/69/37/629226937.db2.gz KLBWQVIBMAVYBX-UHFFFAOYSA-N -1 3 299.370 3.097 20 10 CGCDHM CCO[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792161845 629342345 /nfs/dbraw/zinc/34/23/45/629342345.db2.gz JVYPHYHJIFYEFJ-SNVBAGLBSA-N -1 3 287.762 3.186 20 10 CGCDHM CO[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)[C@@H](C)C1 ZINC000799736220 630228535 /nfs/dbraw/zinc/22/85/35/630228535.db2.gz IMHZNPZMNATQNN-UWVGGRQHSA-N -1 3 287.762 3.184 20 10 CGCDHM [O-]c1c(CN2CCC[C@@H]2c2ncon2)ccc2ccccc21 ZINC000816499638 631994360 /nfs/dbraw/zinc/99/43/60/631994360.db2.gz VVSOJOKGXQDWNN-OAHLLOKOSA-N -1 3 295.342 3.266 20 10 CGCDHM Cc1nc(CNCc2cc(Cl)c(F)cc2[O-])cs1 ZINC000816531840 632006205 /nfs/dbraw/zinc/00/62/05/632006205.db2.gz HHQKOJWRUAYPQS-UHFFFAOYSA-N -1 3 286.759 3.239 20 10 CGCDHM CO[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[C@@H]1C ZINC000816586393 632018423 /nfs/dbraw/zinc/01/84/23/632018423.db2.gz GSKJYKONPLQZGD-XPTSAGLGSA-N -1 3 287.762 3.042 20 10 CGCDHM COCCN(Cc1cc(Cl)c(C)cc1[O-])CC(F)F ZINC000824689597 633273423 /nfs/dbraw/zinc/27/34/23/633273423.db2.gz PRVHFPVMYPTOMD-UHFFFAOYSA-N -1 3 293.741 3.068 20 10 CGCDHM Cc1cc([O-])c(CN2CCOC3(CCC3)C2)cc1Cl ZINC000824854658 633301429 /nfs/dbraw/zinc/30/14/29/633301429.db2.gz BPGTYDTXIVOZED-UHFFFAOYSA-N -1 3 281.783 3.109 20 10 CGCDHM CCc1nc(CNCc2cc(Cl)c(C)cc2[O-])co1 ZINC000826083435 633404158 /nfs/dbraw/zinc/40/41/58/633404158.db2.gz FJVNLKJZKPWDNE-UHFFFAOYSA-N -1 3 280.755 3.194 20 10 CGCDHM CC(C)COC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876628324 634871150 /nfs/dbraw/zinc/87/11/50/634871150.db2.gz ZBQNTUGOORBVAJ-UHFFFAOYSA-N -1 3 299.361 3.307 20 10 CGCDHM CC(C)N(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000126214147 634921610 /nfs/dbraw/zinc/92/16/10/634921610.db2.gz BXRKMLDENJWVDF-UHFFFAOYSA-N -1 3 285.343 3.149 20 10 CGCDHM COCC[C@@H](NCc1ccc(F)c(F)c1[O-])c1ccco1 ZINC000877183479 635009314 /nfs/dbraw/zinc/00/93/14/635009314.db2.gz FESALMDMMQOTPF-GFCCVEGCSA-N -1 3 297.301 3.131 20 10 CGCDHM COCC1(C2CC2)CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000877685659 635146306 /nfs/dbraw/zinc/14/63/06/635146306.db2.gz DQZWZURUCFQBDJ-UHFFFAOYSA-N -1 3 299.773 3.043 20 10 CGCDHM COCC[C@H](NCc1cc(F)cc(F)c1[O-])c1ccco1 ZINC000883085579 636535007 /nfs/dbraw/zinc/53/50/07/636535007.db2.gz VIGKAWAIKYKENA-ZDUSSCGKSA-N -1 3 297.301 3.131 20 10 CGCDHM C[C@H](Nc1cccc(CCO)c1)c1c([O-])cccc1F ZINC000886622662 637614768 /nfs/dbraw/zinc/61/47/68/637614768.db2.gz ZPNXNWKEQVLZQN-NSHDSACASA-N -1 3 275.323 3.239 20 10 CGCDHM C[C@@H](NCc1cc(C2CC2)no1)c1cc(F)cc(F)c1[O-] ZINC000886684227 637650583 /nfs/dbraw/zinc/65/05/83/637650583.db2.gz HUVQSRGDIGEELQ-MRVPVSSYSA-N -1 3 294.301 3.387 20 10 CGCDHM CC(C)c1ncc(C(=O)NCc2c([O-])cccc2F)s1 ZINC000928706517 638889458 /nfs/dbraw/zinc/88/94/58/638889458.db2.gz VLUSWDMTYZSJBB-UHFFFAOYSA-N -1 3 294.351 3.041 20 10 CGCDHM CC1(C)CN(Cc2cccc(Cl)c2[O-])CC(C)(C)O1 ZINC000189658850 640203618 /nfs/dbraw/zinc/20/36/18/640203618.db2.gz SGZFUNLLYWAESL-UHFFFAOYSA-N -1 3 283.799 3.435 20 10 CGCDHM COCCN(Cc1cc(Cl)ccc1[O-])CC(F)(F)F ZINC000092645729 640741910 /nfs/dbraw/zinc/74/19/10/640741910.db2.gz UDRMZKFJFMZGJV-UHFFFAOYSA-N -1 3 297.704 3.056 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1cc(F)cc(Cl)c1 ZINC001156170495 805662150 /nfs/dbraw/zinc/66/21/50/805662150.db2.gz OIGYCUSEFQDRJB-UHFFFAOYSA-N -1 3 297.688 3.254 20 10 CGCDHM [O-]c1c(O)cccc1-c1nnc([C@@H]2C[C@H]2c2ccccc2)o1 ZINC001254512922 806432639 /nfs/dbraw/zinc/43/26/39/806432639.db2.gz LXWJKVXDZSIPAD-QWHCGFSZSA-N -1 3 294.310 3.419 20 10 CGCDHM CN(Cc1cnc(Cl)s1)Cc1cccc(F)c1[O-] ZINC001138122561 803861191 /nfs/dbraw/zinc/86/11/91/803861191.db2.gz MZZWITXGJCIFIV-UHFFFAOYSA-N -1 3 286.759 3.273 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CCc2occc2C1 ZINC001140466149 804444138 /nfs/dbraw/zinc/44/41/38/804444138.db2.gz YWWVGYNCOLPMQR-UHFFFAOYSA-N -1 3 263.724 3.197 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC(C(F)F)CC1 ZINC001142525067 804731689 /nfs/dbraw/zinc/73/16/89/804731689.db2.gz VWKKLMKUIBMZES-UHFFFAOYSA-N -1 3 277.261 3.148 20 10 CGCDHM CC(C)(C)c1cc([O-])c(CN2CCCO2)cc1Cl ZINC001248880165 805030503 /nfs/dbraw/zinc/03/05/03/805030503.db2.gz HFLPMPRDWQXRMX-UHFFFAOYSA-N -1 3 269.772 3.480 20 10 CGCDHM CC1(C)C[C@]1(NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001301430277 809583888 /nfs/dbraw/zinc/58/38/88/809583888.db2.gz DKLTUTZWOYGTGC-SFHVURJKSA-N -1 3 297.354 3.153 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCc2cc(F)ccc21 ZINC001181222395 810043250 /nfs/dbraw/zinc/04/32/50/810043250.db2.gz GXZXXEVAGHEWBJ-UHFFFAOYSA-N -1 3 279.261 3.372 20 10 CGCDHM Cc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1F ZINC001197441237 811425398 /nfs/dbraw/zinc/42/53/98/811425398.db2.gz UFFWWGUEJZLNGV-UHFFFAOYSA-N -1 3 292.285 3.301 20 10 CGCDHM [O-]c1c(O)cccc1-c1nc(-c2cccc(F)c2F)no1 ZINC001215143648 815489042 /nfs/dbraw/zinc/48/90/42/815489042.db2.gz IKHIHWHHCMIAOT-UHFFFAOYSA-N -1 3 290.225 3.093 20 10 CGCDHM CCc1ccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)cc1 ZINC001215328430 815507015 /nfs/dbraw/zinc/50/70/15/815507015.db2.gz CRCZKZBFVUEELE-UHFFFAOYSA-N -1 3 298.298 3.083 20 10 CGCDHM Cc1oncc1[N-]c1nc(-c2ccncc2)cs1 ZINC001210576354 814538422 /nfs/dbraw/zinc/53/84/22/814538422.db2.gz OSLVBVCSHPQRPM-UHFFFAOYSA-N -1 3 258.306 3.245 20 10 CGCDHM Cc1cc(CN(C)Cc2cc(Cl)c(C)cc2[O-])n(C)n1 ZINC001231870582 818194315 /nfs/dbraw/zinc/19/43/15/818194315.db2.gz KNSZNYZBBBRTDI-UHFFFAOYSA-N -1 3 293.798 3.028 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CC2(C1)CCCCC2 ZINC001233336057 818588922 /nfs/dbraw/zinc/58/89/22/818588922.db2.gz WZBXEFNDFCYZOX-UHFFFAOYSA-N -1 3 267.319 3.437 20 10 CGCDHM [O-]c1cc(C(F)(F)F)ccc1CN1Cc2ccncc2C1 ZINC001233453978 818624069 /nfs/dbraw/zinc/62/40/69/818624069.db2.gz BCEZFPMNRRYDJA-UHFFFAOYSA-N -1 3 294.276 3.322 20 10 CGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCCC[C@H]1CO ZINC001236792543 819597727 /nfs/dbraw/zinc/59/77/27/819597727.db2.gz DYODDZWWDVJRGV-JTQLQIEISA-N -1 3 290.190 3.046 20 10 CGCDHM COc1ccc(CN(C)Cc2ccncc2)c([O-])c1Cl ZINC001236801688 819600069 /nfs/dbraw/zinc/60/00/69/819600069.db2.gz LTECQXGIYAWWGS-UHFFFAOYSA-N -1 3 292.766 3.081 20 10 CGCDHM CN(CCF)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236804846 819602016 /nfs/dbraw/zinc/60/20/16/819602016.db2.gz ULWYDCNRFDPXNQ-UHFFFAOYSA-N -1 3 252.116 3.100 20 10 CGCDHM COc1cc([O-])c(CN2CCc3occc3C2)c(Cl)c1 ZINC001236809723 819604289 /nfs/dbraw/zinc/60/42/89/819604289.db2.gz XUQPYIXAARSEMW-UHFFFAOYSA-N -1 3 293.750 3.206 20 10 CGCDHM CCCO[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237620776 819788529 /nfs/dbraw/zinc/78/85/29/819788529.db2.gz PZYVIEWQLIRZII-GFCCVEGCSA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC[C@H](CF)C1 ZINC001237798700 819845105 /nfs/dbraw/zinc/84/51/05/819845105.db2.gz LSOZJIMALFYHKV-SECBINFHSA-N -1 3 275.726 3.366 20 10 CGCDHM Cc1cc([O-])c(CN(C)CC(=O)OC(C)(C)C)c(Cl)c1 ZINC001462153924 937621287 /nfs/dbraw/zinc/62/12/87/937621287.db2.gz FIJDYMHNBNRTHL-UHFFFAOYSA-N -1 3 299.798 3.128 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c(Cl)c1 ZINC001462176362 937622460 /nfs/dbraw/zinc/62/24/60/937622460.db2.gz IWXQUOJFURXOEF-BDJLRTHQSA-N -1 3 295.810 3.353 20 10 CGCDHM Cc1cc2ccc(C(=O)NCc3c([O-])cccc3F)cn2c1 ZINC001303876062 932836860 /nfs/dbraw/zinc/83/68/60/932836860.db2.gz UCKTYXNJQJFGFI-UHFFFAOYSA-N -1 3 298.317 3.022 20 10 CGCDHM Cc1ccc(C)c(CC(=O)NCc2c([O-])cccc2F)c1 ZINC001303878612 932836899 /nfs/dbraw/zinc/83/68/99/932836899.db2.gz PETBJUNFVNALSV-UHFFFAOYSA-N -1 3 287.334 3.007 20 10 CGCDHM COc1cccc(NCc2cccc(F)c2[O-])c1C ZINC001462428147 937640595 /nfs/dbraw/zinc/64/05/95/937640595.db2.gz WETRNRRSZODONP-UHFFFAOYSA-N -1 3 261.296 3.460 20 10 CGCDHM COc1cc(NCc2cc(F)c(F)cc2[O-])ccc1F ZINC001308695205 933159900 /nfs/dbraw/zinc/15/99/00/933159900.db2.gz GUYKEYIWKLDFDK-UHFFFAOYSA-N -1 3 283.249 3.430 20 10 CGCDHM CCc1cccc(N(C)C(=O)c2ccc(C)c(O)c2[O-])c1 ZINC001468796350 937731664 /nfs/dbraw/zinc/73/16/64/937731664.db2.gz XPWZIELKWOHJJM-UHFFFAOYSA-N -1 3 285.343 3.245 20 10 CGCDHM C[C@H](C(=O)NCc1c([O-])cccc1F)[C@H](C)C(C)(C)C ZINC001471975620 937771373 /nfs/dbraw/zinc/77/13/73/937771373.db2.gz ABKPHTKVXNBTBE-QWRGUYRKSA-N -1 3 281.371 3.466 20 10 CGCDHM [O-]c1c(CN2CC(c3ccc(F)cc3)C2)ccc(F)c1F ZINC001330622580 935304243 /nfs/dbraw/zinc/30/42/43/935304243.db2.gz SJCPTVJCGQZXPI-UHFFFAOYSA-N -1 3 293.288 3.409 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CNCc1nc2ccccc2o1 ZINC001474716015 937876583 /nfs/dbraw/zinc/87/65/83/937876583.db2.gz YTZYTKGLENQWGD-UHFFFAOYSA-N -1 3 290.269 3.101 20 10 CGCDHM O=C(/C=C\C1CCCCC1)NCc1c([O-])cccc1F ZINC001558454509 938215470 /nfs/dbraw/zinc/21/54/70/938215470.db2.gz HVZCUPDYQPTPGY-KTKRTIGZSA-N -1 3 277.339 3.284 20 10 CGCDHM Cc1ccc([S@@](C)(=O)=NC(=O)c2cc([O-])cs2)cc1 ZINC001558602559 938216761 /nfs/dbraw/zinc/21/67/61/938216761.db2.gz VCJZCNRBQALSPK-LJQANCHMSA-N -1 3 295.385 3.059 20 10 CGCDHM O=[N+]([O-])c1sccc1NCc1c([O-])cccc1F ZINC001559284983 938224464 /nfs/dbraw/zinc/22/44/64/938224464.db2.gz YUEYZMYYGIQUBB-UHFFFAOYSA-N -1 3 268.269 3.113 20 10 CGCDHM C[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1ccccn1 ZINC001560247781 938249238 /nfs/dbraw/zinc/24/92/38/938249238.db2.gz ZEZRCBJITIOIPD-SECBINFHSA-N -1 3 280.730 3.431 20 10 CGCDHM C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594261620 999010683 /nfs/dbraw/zinc/01/06/83/999010683.db2.gz OMUNSPWTCMIHAW-CKYFFXLPSA-N -1 3 295.404 3.025 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCc2sccc2C1 ZINC000138549831 371505183 /nfs/dbraw/zinc/50/51/83/371505183.db2.gz ARFZLYSRMCMIMR-UHFFFAOYSA-N -1 3 263.337 3.151 20 10 CGCDHM CC[C@@H](NCc1ccnn1C)c1cccc(Cl)c1[O-] ZINC000287305939 371637097 /nfs/dbraw/zinc/63/70/97/371637097.db2.gz CRGFZFDKSURLCC-CYBMUJFWSA-N -1 3 279.771 3.020 20 10 CGCDHM Cc1nnsc1CN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000293770325 372476031 /nfs/dbraw/zinc/47/60/31/372476031.db2.gz SOYVXJYHPJVRJF-ZETCQYMHSA-N -1 3 283.784 3.056 20 10 CGCDHM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000273406758 378745932 /nfs/dbraw/zinc/74/59/32/378745932.db2.gz ONYOMVFNOQAACM-MNOVXSKESA-N -1 3 287.319 3.107 20 10 CGCDHM Cc1cc(Cl)cc(CN(C)Cc2ccccn2)c1[O-] ZINC000273428883 378746693 /nfs/dbraw/zinc/74/66/93/378746693.db2.gz SNOLUMRPEXAZAR-UHFFFAOYSA-N -1 3 276.767 3.381 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCCC23CCC3)c1[O-] ZINC000373104321 379224376 /nfs/dbraw/zinc/22/43/76/379224376.db2.gz NPBVWIPFSKKLST-UHFFFAOYSA-N -1 3 277.339 3.252 20 10 CGCDHM O=C(NCc1cccc(Cl)c1)c1cc([O-])cs1 ZINC000731865796 572430166 /nfs/dbraw/zinc/43/01/66/572430166.db2.gz IGFYAVURDPTVOI-UHFFFAOYSA-N -1 3 267.737 3.037 20 10 CGCDHM Cc1ccc(C(=O)N(C)C2CCCCCC2)c([O-])c1O ZINC000179412096 261785011 /nfs/dbraw/zinc/78/50/11/261785011.db2.gz VBBVZYJUDRJYSO-UHFFFAOYSA-N -1 3 277.364 3.201 20 10 CGCDHM Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000185348291 262051462 /nfs/dbraw/zinc/05/14/62/262051462.db2.gz SQTPUBXSOCPOES-NXEZZACHSA-N -1 3 293.798 3.499 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCCC3(CC3)C2)c1[O-] ZINC000186998395 262120955 /nfs/dbraw/zinc/12/09/55/262120955.db2.gz PXFURPMYQBCUGM-UHFFFAOYSA-N -1 3 277.339 3.110 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ncccc1F)c1ccc(F)cc1[O-] ZINC000528036661 330302970 /nfs/dbraw/zinc/30/29/70/330302970.db2.gz WXUFRMKZUVTSOK-ZJUUUORDSA-N -1 3 278.302 3.477 20 10 CGCDHM CCc1nc(C)c(CNCc2cccc(Cl)c2[O-])o1 ZINC000292827485 522204727 /nfs/dbraw/zinc/20/47/27/522204727.db2.gz QRJTVRDQUYXMAY-UHFFFAOYSA-N -1 3 280.755 3.194 20 10 CGCDHM CCC(CC)[C@@H](CCNC(=O)c1cc([O-])cs1)OC ZINC000747618377 572936760 /nfs/dbraw/zinc/93/67/60/572936760.db2.gz WMYDNGIBUHFZJH-GFCCVEGCSA-N -1 3 285.409 3.025 20 10 CGCDHM O=C(NCc1ccc(Cl)cc1)c1cc([O-])cs1 ZINC000731862051 572430372 /nfs/dbraw/zinc/43/03/72/572430372.db2.gz YFNJDUTWTIAPHK-UHFFFAOYSA-N -1 3 267.737 3.037 20 10 CGCDHM CC(C)(CNC(=O)c1cc([O-])cs1)c1ccccc1F ZINC000731872323 572431077 /nfs/dbraw/zinc/43/10/77/572431077.db2.gz DWJCAZZIWWCBLF-UHFFFAOYSA-N -1 3 293.363 3.300 20 10 CGCDHM O=C(OCc1ccc(Cl)cc1)c1cc([O-])cs1 ZINC000731910682 572436220 /nfs/dbraw/zinc/43/62/20/572436220.db2.gz ALVZVQJEDYDHAU-UHFFFAOYSA-N -1 3 268.721 3.464 20 10 CGCDHM Cc1nc(CN(Cc2ccccc2[O-])C2CCCC2)no1 ZINC000732204418 572451884 /nfs/dbraw/zinc/45/18/84/572451884.db2.gz KVCFAQAHAWXACN-UHFFFAOYSA-N -1 3 287.363 3.028 20 10 CGCDHM C[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cs2)[C@@H]1C ZINC000732260464 572455082 /nfs/dbraw/zinc/45/50/82/572455082.db2.gz UJEJVHLTRRXYKY-FXPVBKGRSA-N -1 3 253.367 3.008 20 10 CGCDHM O=C(NC[C@@H]1CCCc2ccccc21)c1cc([O-])cs1 ZINC000732268486 572455802 /nfs/dbraw/zinc/45/58/02/572455802.db2.gz LYDDUXQSSMUYKM-LBPRGKRZSA-N -1 3 287.384 3.304 20 10 CGCDHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cc([O-])cs1 ZINC000732267767 572455909 /nfs/dbraw/zinc/45/59/09/572455909.db2.gz VHELCHXJFWGSRU-KOLCDFICSA-N -1 3 253.367 3.104 20 10 CGCDHM C[C@H](c1ccccc1F)N(C)C(=O)c1cc([O-])cs1 ZINC000732268021 572456087 /nfs/dbraw/zinc/45/60/87/572456087.db2.gz CHJDTCZVUJARGJ-SECBINFHSA-N -1 3 279.336 3.426 20 10 CGCDHM C[C@H]1CCC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000732276734 572456863 /nfs/dbraw/zinc/45/68/63/572456863.db2.gz ZFLDFWWUDMBNGK-VHSXEESVSA-N -1 3 253.367 3.010 20 10 CGCDHM COc1ccc(F)cc1[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000732272320 572457115 /nfs/dbraw/zinc/45/71/15/572457115.db2.gz DAOSVHPGOXQVJO-QMMMGPOBSA-N -1 3 295.335 3.092 20 10 CGCDHM CC[C@H](NC(=O)c1cc([O-])cs1)c1nc(C)cs1 ZINC000732287477 572459088 /nfs/dbraw/zinc/45/90/88/572459088.db2.gz CKDGXTOMHLBOQH-VIFPVBQESA-N -1 3 282.390 3.100 20 10 CGCDHM CCC[C@H](C)c1cc(NC(=O)c2cc([O-])cs2)n[nH]1 ZINC000743627372 572676111 /nfs/dbraw/zinc/67/61/11/572676111.db2.gz BXOKCDLEHNFLHU-QMMMGPOBSA-N -1 3 279.365 3.333 20 10 CGCDHM CC[C@@H]1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000735326938 572715047 /nfs/dbraw/zinc/71/50/47/572715047.db2.gz RNACRVDJWDWCLL-SNVBAGLBSA-N -1 3 253.367 3.106 20 10 CGCDHM CCC[C@H]1[C@H](C)CCCN1C(=O)c1cc([O-])cs1 ZINC000748371591 572975220 /nfs/dbraw/zinc/97/52/20/572975220.db2.gz WKNBVBZYYCTASM-PWSUYJOCSA-N -1 3 267.394 3.495 20 10 CGCDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H]1c1ccccc1 ZINC000899376016 620671149 /nfs/dbraw/zinc/67/11/49/620671149.db2.gz NXTBRRQLXAYHMI-BLLLJJGKSA-N -1 3 297.354 3.321 20 10 CGCDHM CN(Cc1cscn1)Cc1c([O-])ccc2ccncc21 ZINC000049048608 619677211 /nfs/dbraw/zinc/67/72/11/619677211.db2.gz IXUVXYFUGPOQTA-UHFFFAOYSA-N -1 3 285.372 3.029 20 10 CGCDHM CCCN(Cc1cc(F)ccc1[O-])CC(F)(F)F ZINC000226562522 622981123 /nfs/dbraw/zinc/98/11/23/622981123.db2.gz QQZIIJKVAPXCBZ-UHFFFAOYSA-N -1 3 265.250 3.306 20 10 CGCDHM Cc1cccc(CN[C@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756442436 626706273 /nfs/dbraw/zinc/70/62/73/626706273.db2.gz POWIXIKDBWDDOC-SNVBAGLBSA-N -1 3 278.302 3.225 20 10 CGCDHM C[C@@H](NC1(C(F)F)CC1)c1ccc(Cl)cc1[O-] ZINC000841753861 635226837 /nfs/dbraw/zinc/22/68/37/635226837.db2.gz XPJOGXPMOBLWNH-SSDOTTSWSA-N -1 3 261.699 3.494 20 10 CGCDHM COc1c([O-])c(CNc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774915138 628048971 /nfs/dbraw/zinc/04/89/71/628048971.db2.gz RMYHPUCPYFRRSP-UHFFFAOYSA-N -1 3 292.266 3.060 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CNCc1ccoc1 ZINC000776043289 628160994 /nfs/dbraw/zinc/16/09/94/628160994.db2.gz WNGGFOPHLXQHJZ-UHFFFAOYSA-N -1 3 255.676 3.068 20 10 CGCDHM CCCC[C@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000776646547 628224404 /nfs/dbraw/zinc/22/44/04/628224404.db2.gz YLRXROZNNSFQRR-AAEUAGOBSA-N -1 3 277.364 3.187 20 10 CGCDHM Cc1ccc(C(=O)Nc2cc3[nH]ccc3cc2C)c([O-])c1O ZINC000781540426 628568877 /nfs/dbraw/zinc/56/88/77/628568877.db2.gz XSBFRFIUSBEXCE-UHFFFAOYSA-N -1 3 296.326 3.448 20 10 CGCDHM Cc1ccc(CN(C)Cc2cccc(Cl)c2[O-])nc1 ZINC000789595554 629149561 /nfs/dbraw/zinc/14/95/61/629149561.db2.gz VKFDBWNKQYDVSC-UHFFFAOYSA-N -1 3 276.767 3.381 20 10 CGCDHM CC[C@H]1c2ccccc2CCN1C(=O)c1cccc(O)c1[O-] ZINC000790896498 629240172 /nfs/dbraw/zinc/24/01/72/629240172.db2.gz HYAQOMYEKYUJPU-HNNXBMFYSA-N -1 3 297.354 3.247 20 10 CGCDHM COC(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000127248673 635586721 /nfs/dbraw/zinc/58/67/21/635586721.db2.gz HHMHMUZEZRODNK-UHFFFAOYSA-N -1 3 291.734 3.444 20 10 CGCDHM Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(O)c1[O-])CCC2 ZINC000817020347 632071713 /nfs/dbraw/zinc/07/17/13/632071713.db2.gz NLQNXQUXSGLRBO-OAHLLOKOSA-N -1 3 297.354 3.214 20 10 CGCDHM Cc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000866478569 633150965 /nfs/dbraw/zinc/15/09/65/633150965.db2.gz JTTWQSDETWGSHH-JTQLQIEISA-N -1 3 276.292 3.053 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H]1C1CC1 ZINC000824650088 633268007 /nfs/dbraw/zinc/26/80/07/633268007.db2.gz HZWIMSONOTYXCD-LLVKDONJSA-N -1 3 255.720 3.169 20 10 CGCDHM CCC[C@@](C)(NCc1cc(Cl)c(C)cc1[O-])C(=O)OC ZINC000825037429 633320073 /nfs/dbraw/zinc/32/00/73/633320073.db2.gz BROPMNYZJAJFOH-OAHLLOKOSA-N -1 3 299.798 3.175 20 10 CGCDHM C[C@@H](N[C@H](C)c1ccc(Cl)cc1[O-])c1csnn1 ZINC000841754757 635228538 /nfs/dbraw/zinc/22/85/38/635228538.db2.gz DCRHEDIWQYSQDF-HTQZYQBOSA-N -1 3 283.784 3.309 20 10 CGCDHM Cc1ccc(N(CC2CC2)C(=O)c2cccc(O)c2[O-])cc1 ZINC000923677218 635575808 /nfs/dbraw/zinc/57/58/08/635575808.db2.gz GFJNPOUSFDQUFF-UHFFFAOYSA-N -1 3 297.354 3.463 20 10 CGCDHM CC(C)n1cc([C@@H](C)NCc2cc(F)cc(F)c2[O-])cn1 ZINC000882994286 636496626 /nfs/dbraw/zinc/49/66/26/636496626.db2.gz YYPHQUUHTYMIFR-SNVBAGLBSA-N -1 3 295.333 3.299 20 10 CGCDHM C[C@H]1CN(Cc2cccc(F)c2[O-])CC2(CCCCC2)O1 ZINC000848928818 636700827 /nfs/dbraw/zinc/70/08/27/636700827.db2.gz OIRLMOJBKXJBOQ-ZDUSSCGKSA-N -1 3 293.382 3.455 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1ccn(CC(F)F)n1 ZINC000133847748 636982658 /nfs/dbraw/zinc/98/26/58/636982658.db2.gz OSQOSZKLWINGOG-UHFFFAOYSA-N -1 3 287.697 3.119 20 10 CGCDHM COc1cc(N[C@@H](C)c2ccc(F)cc2[O-])cnc1OC ZINC000858481277 638735240 /nfs/dbraw/zinc/73/52/40/638735240.db2.gz GOBPJRQMLGCOAX-VIFPVBQESA-N -1 3 292.310 3.117 20 10 CGCDHM C[C@@]1(C(=O)NCc2c([O-])cccc2F)CCc2ccccc21 ZINC000928705916 638889443 /nfs/dbraw/zinc/88/94/43/638889443.db2.gz MORZBZJNTJCYAI-GOSISDBHSA-N -1 3 299.345 3.052 20 10 CGCDHM CCC[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000093508680 640774385 /nfs/dbraw/zinc/77/43/85/640774385.db2.gz ACWILPLJPOHEDC-ZDUSSCGKSA-N -1 3 269.772 3.047 20 10 CGCDHM O=C(/C=C/c1ccccc1F)NCc1c([O-])cccc1F ZINC001156177223 805662719 /nfs/dbraw/zinc/66/27/19/805662719.db2.gz BOCXZCAXIOLCIT-CMDGGOBGSA-N -1 3 289.281 3.000 20 10 CGCDHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(O)c(C)c1C ZINC001254602332 806458618 /nfs/dbraw/zinc/45/86/18/806458618.db2.gz UCPXQODPIAKUEY-UHFFFAOYSA-N -1 3 291.372 3.118 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]3C[C@H]3C2)c1[O-] ZINC000699242289 799857613 /nfs/dbraw/zinc/85/76/13/799857613.db2.gz BPHXQPHLLLGNGV-QWRGUYRKSA-N -1 3 279.767 3.090 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCOC[C@@H]1C1CCCCC1 ZINC001138131271 803865903 /nfs/dbraw/zinc/86/59/03/803865903.db2.gz UWQLLCZDXCTFKO-MRXNPFEDSA-N -1 3 293.382 3.312 20 10 CGCDHM [O-]c1c(F)ccc(F)c1CN1CCC[C@@H](C(F)F)C1 ZINC001139683072 804251660 /nfs/dbraw/zinc/25/16/60/804251660.db2.gz HLQMVMZTTCSLMF-MRVPVSSYSA-N -1 3 277.261 3.148 20 10 CGCDHM CCCOC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142521011 804731638 /nfs/dbraw/zinc/73/16/38/804731638.db2.gz UKYMWLGMZIOCPO-UHFFFAOYSA-N -1 3 285.334 3.061 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@H](C(F)F)C1 ZINC001142524640 804732184 /nfs/dbraw/zinc/73/21/84/804732184.db2.gz FFTKVMIGZIABHC-QMMMGPOBSA-N -1 3 277.261 3.148 20 10 CGCDHM CC[C@](C)(NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001146926730 805097632 /nfs/dbraw/zinc/09/76/32/805097632.db2.gz QAKKYCRSMLWMCL-KRWDZBQOSA-N -1 3 285.343 3.153 20 10 CGCDHM CC[C@H]1CO[C@H](C)CN1Cc1cc(Cl)c(C)cc1[O-] ZINC001180531768 810008955 /nfs/dbraw/zinc/00/89/55/810008955.db2.gz JQJXVFLBBDGIFR-YPMHNXCESA-N -1 3 283.799 3.353 20 10 CGCDHM O=C(c1ccncc1)c1ccccc1Nc1cncc([O-])c1 ZINC001201649942 811930793 /nfs/dbraw/zinc/93/07/93/811930793.db2.gz VFMXRBLIPQQJIA-UHFFFAOYSA-N -1 3 291.310 3.157 20 10 CGCDHM CCc1ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc1 ZINC001215325439 815507383 /nfs/dbraw/zinc/50/73/83/815507383.db2.gz SQGNBVXBOAIIQE-UHFFFAOYSA-N -1 3 298.298 3.083 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@H]1c1ncccn1 ZINC001203665654 812422538 /nfs/dbraw/zinc/42/25/38/812422538.db2.gz RQXHAURDEVBASI-ZDUSSCGKSA-N -1 3 289.766 3.173 20 10 CGCDHM CC[C@@H]1CO[C@H](C)CN1Cc1ccc(Cl)cc1[O-] ZINC001205177864 812898551 /nfs/dbraw/zinc/89/85/51/812898551.db2.gz KKKPDZBSKNWGEE-ZWNOBZJWSA-N -1 3 269.772 3.045 20 10 CGCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c([O-])c1 ZINC001231455861 818103027 /nfs/dbraw/zinc/10/30/27/818103027.db2.gz VCKXNRSJKCDYFX-HNNXBMFYSA-N -1 3 283.327 3.037 20 10 CGCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c([O-])c1 ZINC001231455861 818103033 /nfs/dbraw/zinc/10/30/33/818103033.db2.gz VCKXNRSJKCDYFX-HNNXBMFYSA-N -1 3 283.327 3.037 20 10 CGCDHM [O-]c1c(CN2C[C@@H](F)[C@H](F)C2)ccc2ccccc21 ZINC001231879210 818199974 /nfs/dbraw/zinc/19/99/74/818199974.db2.gz ACRRDBFYXTUBCT-ZIAGYGMSSA-N -1 3 263.287 3.037 20 10 CGCDHM O=C1CCCN(Cc2ccc3ccccc3c2[O-])C[C@@H]1F ZINC001231879670 818200099 /nfs/dbraw/zinc/20/00/99/818200099.db2.gz NDGGARXRJOCFMK-HNNXBMFYSA-N -1 3 287.334 3.048 20 10 CGCDHM COc1cc([O-])c(CN(C)CC(F)(F)F)cc1Cl ZINC001232264552 818298540 /nfs/dbraw/zinc/29/85/40/818298540.db2.gz ITEYOOUJBJDVIJ-UHFFFAOYSA-N -1 3 283.677 3.048 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@H]1c1cccnc1 ZINC001233331531 818582429 /nfs/dbraw/zinc/58/24/29/818582429.db2.gz AANNAHBDIAEBSW-AWEZNQCLSA-N -1 3 290.313 3.403 20 10 CGCDHM CCN(Cc1ccncc1)Cc1c([O-])ccc(F)c1F ZINC001233332033 818585500 /nfs/dbraw/zinc/58/55/00/818585500.db2.gz VJQOAEUZVOXPAC-UHFFFAOYSA-N -1 3 278.302 3.088 20 10 CGCDHM CC(C)O[C@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237127870 819675014 /nfs/dbraw/zinc/67/50/14/819675014.db2.gz HBOWLXDJNHIDMH-JTQLQIEISA-N -1 3 287.762 3.184 20 10 CGCDHM Cc1cc([O-])c(CN2CC(C)(F)C2)cc1Br ZINC001237677572 819804170 /nfs/dbraw/zinc/80/41/70/819804170.db2.gz OLDVWBRXJMGRIM-UHFFFAOYSA-N -1 3 288.160 3.007 20 10 CGCDHM [O-]c1cccc(F)c1CNc1c(F)c(F)nc(F)c1F ZINC001458617309 937470436 /nfs/dbraw/zinc/47/04/36/937470436.db2.gz KBJVZJQZGBTSJF-UHFFFAOYSA-N -1 3 290.191 3.095 20 10 CGCDHM [O-]c1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1Cl ZINC001461730415 937594359 /nfs/dbraw/zinc/59/43/59/937594359.db2.gz LVDGZTSVAKWMJE-UHFFFAOYSA-N -1 3 299.704 3.319 20 10 CGCDHM Cc1ccc(C(=O)NCc2c([O-])cccc2F)c(F)c1F ZINC001303876136 932836007 /nfs/dbraw/zinc/83/60/07/932836007.db2.gz WHJPBPNRGYUFFC-UHFFFAOYSA-N -1 3 295.260 3.048 20 10 CGCDHM CC(C)n1cc(NCc2ccc(Cl)cc2[O-])cn1 ZINC001462382972 937636585 /nfs/dbraw/zinc/63/65/85/937636585.db2.gz KGRCPYLZQNCYQT-UHFFFAOYSA-N -1 3 265.744 3.435 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CNc1cc2cc[nH]c2cn1 ZINC001308839835 933188102 /nfs/dbraw/zinc/18/81/02/933188102.db2.gz JOUGKDYOQIWKLZ-UHFFFAOYSA-N -1 3 275.258 3.159 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@@H](C)OC3(CCC3)C2)c(Cl)c1 ZINC001308847979 933189570 /nfs/dbraw/zinc/18/95/70/933189570.db2.gz HNQWNYANSPHSPI-GFCCVEGCSA-N -1 3 295.810 3.497 20 10 CGCDHM CC(=O)Nc1ccc(NCc2c([O-])cccc2Cl)nc1 ZINC001325131865 934889085 /nfs/dbraw/zinc/88/90/85/934889085.db2.gz JPTZXWVZURDCAF-UHFFFAOYSA-N -1 3 291.738 3.011 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1C[C@H](CO)c2ccccc21 ZINC001474538608 937866008 /nfs/dbraw/zinc/86/60/08/937866008.db2.gz WFJSQNBQLUYRGL-GFCCVEGCSA-N -1 3 289.762 3.142 20 10 CGCDHM CC(C)[C@@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC001558365622 938214864 /nfs/dbraw/zinc/21/48/64/938214864.db2.gz XLABOGWGAMRAER-OAHLLOKOSA-N -1 3 299.370 3.095 20 10 CGCDHM Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)[O-])cc2)c([O-])c1 ZINC001611171480 970922839 /nfs/dbraw/zinc/92/28/39/970922839.db2.gz NKORGQKELPIKCH-GFCCVEGCSA-N -1 3 285.343 3.250 20 10 CGCDHM C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257761 994535432 /nfs/dbraw/zinc/53/54/32/994535432.db2.gz SWWAOCCCNCCWIP-PWSUYJOCSA-N -1 3 295.404 3.027 20 10 CGCDHM COCCc1ccnc(N[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000287643677 371686782 /nfs/dbraw/zinc/68/67/82/371686782.db2.gz URQDZUTWOZZTOA-LLVKDONJSA-N -1 3 290.338 3.288 20 10 CGCDHM Cc1ccc(C(=O)N2CCCCc3ccccc32)c([O-])c1O ZINC000182377861 374265484 /nfs/dbraw/zinc/26/54/84/374265484.db2.gz OTFVWFKXAXLADJ-UHFFFAOYSA-N -1 3 297.354 3.389 20 10 CGCDHM CC(C)c1nnc([C@@H](C)N[C@@H](C)c2ccc(F)cc2[O-])[nH]1 ZINC000273451646 378748287 /nfs/dbraw/zinc/74/82/87/378748287.db2.gz GCHFILSEWQVDQD-VHSXEESVSA-N -1 3 292.358 3.185 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000375321330 379493857 /nfs/dbraw/zinc/49/38/57/379493857.db2.gz PRHHDXQJFMLFSD-TZMCWYRMSA-N -1 3 299.773 3.328 20 10 CGCDHM CN(Cc1ncc(C(C)(C)C)o1)Cc1ccccc1[O-] ZINC000109772323 392373148 /nfs/dbraw/zinc/37/31/48/392373148.db2.gz BYJVOFBYXIJYJP-UHFFFAOYSA-N -1 3 274.364 3.310 20 10 CGCDHM CCCN(Cc1nccn1C(F)F)Cc1ccccc1[O-] ZINC000075829161 260291816 /nfs/dbraw/zinc/29/18/16/260291816.db2.gz AEBKCKIBKBOXSG-UHFFFAOYSA-N -1 3 295.333 3.396 20 10 CGCDHM Cc1ccc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c([O-])c1O ZINC000376868099 268026426 /nfs/dbraw/zinc/02/64/26/268026426.db2.gz DHFWYXUSQPKYPW-DIFFPNOSSA-N -1 3 289.375 3.059 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000377620431 329020973 /nfs/dbraw/zinc/02/09/73/329020973.db2.gz FSVCOVSMABXXHA-CQSZACIVSA-N -1 3 291.782 3.496 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CCC(OCC2CC2)CC1 ZINC000373227805 526325722 /nfs/dbraw/zinc/32/57/22/526325722.db2.gz HPQAHNOWTQTAPH-UHFFFAOYSA-N -1 3 295.810 3.437 20 10 CGCDHM CC[C@@H](NC(=O)c1cc([O-])cs1)c1ccc(OC)cc1 ZINC000731863810 572430103 /nfs/dbraw/zinc/43/01/03/572430103.db2.gz DJUJWNNGJLUGRW-CYBMUJFWSA-N -1 3 291.372 3.343 20 10 CGCDHM O=C(Nc1cccc(OC(F)F)c1)c1cc([O-])cs1 ZINC000731872068 572431150 /nfs/dbraw/zinc/43/11/50/572431150.db2.gz VXJVPTQRFSAAMY-UHFFFAOYSA-N -1 3 285.271 3.307 20 10 CGCDHM O=C(OCc1cccc2cccnc21)c1cc([O-])cs1 ZINC000731910518 572435937 /nfs/dbraw/zinc/43/59/37/572435937.db2.gz SFBKJAMVLGJTQF-UHFFFAOYSA-N -1 3 285.324 3.359 20 10 CGCDHM O=C(OCCOc1ccccc1Cl)c1cc([O-])cs1 ZINC000732355195 572461206 /nfs/dbraw/zinc/46/12/06/572461206.db2.gz GVLGXWIQPDJBCJ-UHFFFAOYSA-N -1 3 298.747 3.343 20 10 CGCDHM O=C(Nc1ccc2[nH]ccc2c1)c1cc([O-])cs1 ZINC000733357746 572558963 /nfs/dbraw/zinc/55/89/63/572558963.db2.gz FUADOGFCSMGNJV-UHFFFAOYSA-N -1 3 258.302 3.187 20 10 CGCDHM Cn1cccc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000743498698 572666702 /nfs/dbraw/zinc/66/67/02/572666702.db2.gz QXPQKOZKXOIZOG-UHFFFAOYSA-N -1 3 285.174 3.327 20 10 CGCDHM CCC[C@@]1(C)CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000743809810 572684947 /nfs/dbraw/zinc/68/49/47/572684947.db2.gz GYNMEONUZXIIJE-AWEZNQCLSA-N -1 3 267.394 3.496 20 10 CGCDHM CCO[C@H](CCNC(=O)c1cc([O-])cs1)C1CCCC1 ZINC000746893527 572900161 /nfs/dbraw/zinc/90/01/61/572900161.db2.gz CEKNRRYDLDYBLC-CYBMUJFWSA-N -1 3 297.420 3.169 20 10 CGCDHM C/C(=C/C[N@H+](Cc1ccccc1[O-])C1CCCC1)C(=O)[O-] ZINC000825729820 601166491 /nfs/dbraw/zinc/16/64/91/601166491.db2.gz NCGUUXGFJVYNOC-RAXLEYEMSA-N -1 3 289.375 3.168 20 10 CGCDHM C/C(=C/C[N@@H+](Cc1ccccc1[O-])C1CCCC1)C(=O)[O-] ZINC000825729820 601166493 /nfs/dbraw/zinc/16/64/93/601166493.db2.gz NCGUUXGFJVYNOC-RAXLEYEMSA-N -1 3 289.375 3.168 20 10 CGCDHM C[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000818071710 601761742 /nfs/dbraw/zinc/76/17/42/601761742.db2.gz VTRVYMKDYXCTCL-ZDUSSCGKSA-N -1 3 285.343 3.040 20 10 CGCDHM C[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC000818071710 601761744 /nfs/dbraw/zinc/76/17/44/601761744.db2.gz VTRVYMKDYXCTCL-ZDUSSCGKSA-N -1 3 285.343 3.040 20 10 CGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](C)c1ccccc1 ZINC000185789673 619065251 /nfs/dbraw/zinc/06/52/51/619065251.db2.gz FIUVVVBEPHDBLC-NWDGAFQWSA-N -1 3 285.343 3.020 20 10 CGCDHM CCO[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775634248 619082218 /nfs/dbraw/zinc/08/22/18/619082218.db2.gz QDTAJUSEMBZZKL-GFCCVEGCSA-N -1 3 287.762 3.186 20 10 CGCDHM Cc1ccc(C(=O)Nc2cccc3ccn(C)c32)c([O-])c1O ZINC000188134068 619083079 /nfs/dbraw/zinc/08/30/79/619083079.db2.gz KNLWIFIETVWXDI-UHFFFAOYSA-N -1 3 296.326 3.150 20 10 CGCDHM CC(C)CCC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193133705 619126354 /nfs/dbraw/zinc/12/63/54/619126354.db2.gz WANDCBPFVITUOO-UHFFFAOYSA-N -1 3 291.391 3.386 20 10 CGCDHM C[C@@H](c1cccnc1)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894448088 619540875 /nfs/dbraw/zinc/54/08/75/619540875.db2.gz BDMHERWYWONCEI-JTQLQIEISA-N -1 3 278.302 3.258 20 10 CGCDHM CC1(C)CN(Cc2cc(F)cc(F)c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000894789857 619632022 /nfs/dbraw/zinc/63/20/22/619632022.db2.gz LHACLHPUJBSWSI-DZGCQCFKSA-N -1 3 297.345 3.060 20 10 CGCDHM [O-]c1c(CN2CC[C@@H]2C(F)F)ccc2ccccc21 ZINC000895432009 619825606 /nfs/dbraw/zinc/82/56/06/619825606.db2.gz SHXKMYWUNKCHHK-CYBMUJFWSA-N -1 3 263.287 3.385 20 10 CGCDHM CC(C)c1cc(NCc2c([O-])cccc2F)ncn1 ZINC000895832811 619894552 /nfs/dbraw/zinc/89/45/52/619894552.db2.gz NAYITFCFXLYATA-UHFFFAOYSA-N -1 3 261.300 3.057 20 10 CGCDHM C[C@H](NCc1cc(Cl)cc(F)c1[O-])c1cncs1 ZINC000897932168 620448562 /nfs/dbraw/zinc/44/85/62/620448562.db2.gz ITRJSRBQEJYWIE-ZETCQYMHSA-N -1 3 286.759 3.492 20 10 CGCDHM Cc1cnc(CNCc2c([O-])cccc2Cl)s1 ZINC000230686851 623264866 /nfs/dbraw/zinc/26/48/66/623264866.db2.gz JRESBYIQJMDQJM-UHFFFAOYSA-N -1 3 268.769 3.100 20 10 CGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@H]1CCO ZINC000779202606 628394259 /nfs/dbraw/zinc/39/42/59/628394259.db2.gz QGBXFMZUUNJRMQ-LLVKDONJSA-N -1 3 290.190 3.046 20 10 CGCDHM CN(Cc1c([O-])cccc1Cl)c1ccc2c(c1)OCO2 ZINC000780778692 628516673 /nfs/dbraw/zinc/51/66/73/628516673.db2.gz OKMITJJDDBQDIW-UHFFFAOYSA-N -1 3 291.734 3.411 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1C2CCC1CC2 ZINC000792157479 629341100 /nfs/dbraw/zinc/34/11/00/629341100.db2.gz XSIYSVVYNKDOJJ-UHFFFAOYSA-N -1 3 255.720 3.312 20 10 CGCDHM CN(Cc1c([O-])ccc(Cl)c1F)C[C@H]1CCCCO1 ZINC000792166894 629343939 /nfs/dbraw/zinc/34/39/39/629343939.db2.gz ILURTYOTJXEMIO-SNVBAGLBSA-N -1 3 287.762 3.186 20 10 CGCDHM O=C(NCc1ccccc1O)c1cc([O-])c2ccccc2c1 ZINC000792240386 629351766 /nfs/dbraw/zinc/35/17/66/629351766.db2.gz QXVMKDNPQCAGHC-UHFFFAOYSA-N -1 3 293.322 3.181 20 10 CGCDHM CCc1cc(CN[C@H](CC)c2ccc(F)cc2[O-])on1 ZINC000796781083 629832712 /nfs/dbraw/zinc/83/27/12/629832712.db2.gz UZFIDYDOKCZSAO-CQSZACIVSA-N -1 3 278.327 3.323 20 10 CGCDHM O=C(Nc1ccc(F)c(C2CC2)c1)c1cccc(O)c1[O-] ZINC000799069075 630141196 /nfs/dbraw/zinc/14/11/96/630141196.db2.gz UDKDBKNGGYZEFA-UHFFFAOYSA-N -1 3 287.290 3.367 20 10 CGCDHM CC(F)(F)CNCc1ccc2ccccc2c1[O-] ZINC000816643233 632030355 /nfs/dbraw/zinc/03/03/55/632030355.db2.gz YOACNNFBEVNGBT-UHFFFAOYSA-N -1 3 251.276 3.290 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@H]1C1CC1 ZINC000824654417 633269819 /nfs/dbraw/zinc/26/98/19/633269819.db2.gz NWDZTCLBTHDAOE-LBPRGKRZSA-N -1 3 255.720 3.169 20 10 CGCDHM Cc1cc([O-])c(CN2CCC[C@@H](F)C2)cc1Cl ZINC000826142370 633407465 /nfs/dbraw/zinc/40/74/65/633407465.db2.gz AJBBGXVJGYUFRT-LLVKDONJSA-N -1 3 257.736 3.288 20 10 CGCDHM Cc1nccnc1[C@H](C)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000872131832 634051980 /nfs/dbraw/zinc/05/19/80/634051980.db2.gz AHPXMJQKHBUEAW-SCZZXKLOSA-N -1 3 293.317 3.181 20 10 CGCDHM C[C@H](N[C@@H]1C[C@@H](C)n2ccnc21)c1ccc(F)cc1[O-] ZINC000834894946 634272428 /nfs/dbraw/zinc/27/24/28/634272428.db2.gz NEFDFPHMKSCKSZ-GBIKHYSHSA-N -1 3 275.327 3.084 20 10 CGCDHM CC[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccc(F)cc1[O-] ZINC000834894297 634272442 /nfs/dbraw/zinc/27/24/42/634272442.db2.gz KBQPACIWZVGDLZ-LEWSCRJBSA-N -1 3 289.354 3.475 20 10 CGCDHM [O-]c1c(CN2CCC[C@@H]2c2ccncc2)ccc(F)c1F ZINC000877524397 635072358 /nfs/dbraw/zinc/07/23/58/635072358.db2.gz WTNLSXKKZUQAOR-CQSZACIVSA-N -1 3 290.313 3.403 20 10 CGCDHM [O-]c1c(F)c(F)ccc1CN1CC(Cc2cccs2)C1 ZINC000877659425 635135499 /nfs/dbraw/zinc/13/54/99/635135499.db2.gz RUEGDEIZTDTYTG-UHFFFAOYSA-N -1 3 295.354 3.406 20 10 CGCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841454200 635178142 /nfs/dbraw/zinc/17/81/42/635178142.db2.gz VOKCKCRRQRCZNY-STQMWFEESA-N -1 3 291.391 3.385 20 10 CGCDHM C[C@@H](N[C@@H](C)c1csnn1)c1ccc(Cl)cc1[O-] ZINC000841754759 635228433 /nfs/dbraw/zinc/22/84/33/635228433.db2.gz DCRHEDIWQYSQDF-SFYZADRCSA-N -1 3 283.784 3.309 20 10 CGCDHM C[C@@H](N[C@H](C)C(F)F)c1cc(Br)ccc1[O-] ZINC000883399210 636739929 /nfs/dbraw/zinc/73/99/29/636739929.db2.gz HJWKOZQYYZXMEB-RNFRBKRXSA-N -1 3 294.139 3.459 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCOc2ccccc2C1 ZINC000134092524 636998031 /nfs/dbraw/zinc/99/80/31/636998031.db2.gz GNTGFLAVKSNDNQ-UHFFFAOYSA-N -1 3 289.762 3.440 20 10 CGCDHM Cc1nccnc1[C@@H](C)N[C@@H](C)c1c([O-])cccc1F ZINC000886650636 637629397 /nfs/dbraw/zinc/62/93/97/637629397.db2.gz ZZFUVRDFGABYLE-GXSJLCMTSA-N -1 3 275.327 3.042 20 10 CGCDHM C[C@H](NCc1cc(C2CC2)no1)c1ccc(F)cc1[O-] ZINC000886684501 637649763 /nfs/dbraw/zinc/64/97/63/637649763.db2.gz MPRMFGILZONHQA-VIFPVBQESA-N -1 3 276.311 3.248 20 10 CGCDHM CC[C@@H](CC(F)(F)F)C(=O)NCc1c([O-])cccc1F ZINC000928706275 638889492 /nfs/dbraw/zinc/88/94/92/638889492.db2.gz QFYYAMFKBWGFJE-QMMMGPOBSA-N -1 3 293.260 3.126 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1cc2c(s1)CCC2 ZINC000928709861 638889763 /nfs/dbraw/zinc/88/97/63/638889763.db2.gz MRCCYTQWRQMOMP-UHFFFAOYSA-N -1 3 291.347 3.012 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1c1ccccc1 ZINC000280420327 641036106 /nfs/dbraw/zinc/03/61/06/641036106.db2.gz IOKCUDFJALDHAG-OAHLLOKOSA-N -1 3 297.354 3.465 20 10 CGCDHM CC(C)=C[C@H]1[C@H](C(=O)NCc2c([O-])cccc2F)C1(C)C ZINC001156170729 805662157 /nfs/dbraw/zinc/66/21/57/805662157.db2.gz SWOQMYLZZPNXIJ-SWLSCSKDSA-N -1 3 291.366 3.386 20 10 CGCDHM C[C@H](NCC(C)(F)F)c1ccc(Br)cc1[O-] ZINC000378793904 799343674 /nfs/dbraw/zinc/34/36/74/799343674.db2.gz OTJYCBRJXBLXFU-ZETCQYMHSA-N -1 3 294.139 3.461 20 10 CGCDHM CC[C@H]1CN(Cc2cc(Cl)ccc2[O-])[C@H](C)CO1 ZINC000403863318 799571962 /nfs/dbraw/zinc/57/19/62/799571962.db2.gz ZXHZBJGGLWCBMZ-MFKMUULPSA-N -1 3 269.772 3.045 20 10 CGCDHM CC(C)(C)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000709000165 800001186 /nfs/dbraw/zinc/00/11/86/800001186.db2.gz KUEYYCQKQBJGMD-AWEZNQCLSA-N -1 3 283.799 3.293 20 10 CGCDHM CN(Cc1ccc(F)cc1)Cc1c([O-])cccc1F ZINC001137831454 803777513 /nfs/dbraw/zinc/77/75/13/803777513.db2.gz AHRFBBRQKSTZDO-UHFFFAOYSA-N -1 3 263.287 3.302 20 10 CGCDHM [O-]c1cccc(F)c1CN(Cc1ccco1)C1CC1 ZINC001137840311 803779918 /nfs/dbraw/zinc/77/99/18/803779918.db2.gz XBEUNKSOBOZRIJ-UHFFFAOYSA-N -1 3 261.296 3.289 20 10 CGCDHM C[C@H]1c2cccn2CCN1Cc1ccc(Cl)cc1[O-] ZINC001140465873 804443915 /nfs/dbraw/zinc/44/39/15/804443915.db2.gz STRBFJNKFRUYQJ-NSHDSACASA-N -1 3 276.767 3.424 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@H]1c1cccnc1 ZINC001142508896 804728045 /nfs/dbraw/zinc/72/80/45/804728045.db2.gz PCMGYPUXRPSGJY-HNNXBMFYSA-N -1 3 290.313 3.403 20 10 CGCDHM CC(C)(C)c1cc([O-])c(CN2CC(F)C2)cc1Cl ZINC001248881046 805030050 /nfs/dbraw/zinc/03/00/50/805030050.db2.gz PDANLBXWMCNAKD-UHFFFAOYSA-N -1 3 271.763 3.497 20 10 CGCDHM O=C(N[C@@H](c1cccs1)C1CC1)c1cccc(O)c1[O-] ZINC001290534661 809408895 /nfs/dbraw/zinc/40/88/95/809408895.db2.gz YRHSXFDCEYEGFX-CYBMUJFWSA-N -1 3 289.356 3.040 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1cncc2ccccc21 ZINC001178413237 809864780 /nfs/dbraw/zinc/86/47/80/809864780.db2.gz PGPZVUMUBKLUHV-UHFFFAOYSA-N -1 3 296.301 3.010 20 10 CGCDHM [O-]c1cc(Nc2ccc3c(c2)OCCN3)c(F)cc1F ZINC001209766147 814133325 /nfs/dbraw/zinc/13/33/25/814133325.db2.gz FRIXMAXQPYEIFV-UHFFFAOYSA-N -1 3 278.258 3.218 20 10 CGCDHM [O-]c1c(F)cc(Nc2ccc3c(c2)OCCN3)cc1F ZINC001209766892 814134629 /nfs/dbraw/zinc/13/46/29/814134629.db2.gz XWJCIEGTTZITDS-UHFFFAOYSA-N -1 3 278.258 3.218 20 10 CGCDHM Cc1cc([O-])c(CN2CCC(=O)[C@H](C)CC2)cc1Cl ZINC001231868038 818192206 /nfs/dbraw/zinc/19/22/06/818192206.db2.gz PLGTUFWXZHNRPR-SNVBAGLBSA-N -1 3 281.783 3.155 20 10 CGCDHM CN(Cc1ccno1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419164 818615841 /nfs/dbraw/zinc/61/58/41/818615841.db2.gz LQPJIQNOPQVJJQ-UHFFFAOYSA-N -1 3 286.253 3.031 20 10 CGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCCC[C@H](O)C1 ZINC001236792076 819595348 /nfs/dbraw/zinc/59/53/48/819595348.db2.gz BFSOBANPFGNHKE-JTQLQIEISA-N -1 3 290.190 3.046 20 10 CGCDHM CC(=O)[C@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795324 819598188 /nfs/dbraw/zinc/59/81/88/819598188.db2.gz CBWLTLKPIGBJGC-VIFPVBQESA-N -1 3 288.174 3.110 20 10 CGCDHM CN(Cc1c([O-])ccc(Cl)c1Cl)[C@@H]1CCCOC1 ZINC001237086716 819663603 /nfs/dbraw/zinc/66/36/03/819663603.db2.gz NWEQDWGDJPSNES-SECBINFHSA-N -1 3 290.190 3.310 20 10 CGCDHM COC1(C)CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237804730 819845959 /nfs/dbraw/zinc/84/59/59/819845959.db2.gz FCVBOXJAGORBIL-UHFFFAOYSA-N -1 3 287.762 3.186 20 10 CGCDHM CCOC1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237936416 819889404 /nfs/dbraw/zinc/88/94/04/819889404.db2.gz JNJGSVYOOODXJA-UHFFFAOYSA-N -1 3 287.762 3.186 20 10 CGCDHM CCCC[C@H](CCC)CNC(=O)c1cccc(O)c1[O-] ZINC001445633641 937358380 /nfs/dbraw/zinc/35/83/80/937358380.db2.gz SAGLJPGLJUJXQZ-LBPRGKRZSA-N -1 3 279.380 3.434 20 10 CGCDHM CCCCCOC1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001462319141 937632767 /nfs/dbraw/zinc/63/27/67/937632767.db2.gz FOSHWLZAFZVEGP-UHFFFAOYSA-N -1 3 283.799 3.437 20 10 CGCDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CC2(CCCC2)O1 ZINC001462408358 937638833 /nfs/dbraw/zinc/63/88/33/937638833.db2.gz VVTJPWJGMYORLE-LLVKDONJSA-N -1 3 297.345 3.204 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@H](C)O[C@@H](C3CC3)C2)cc1Cl ZINC001308730956 933165849 /nfs/dbraw/zinc/16/58/49/933165849.db2.gz DHUKUBCPFVMKJP-MEDUHNTESA-N -1 3 295.810 3.353 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H](CF)C1 ZINC001474684207 937874601 /nfs/dbraw/zinc/87/46/01/937874601.db2.gz HPDUQWVDGRRCPR-VIFPVBQESA-N -1 3 275.726 3.366 20 10 CGCDHM Cc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1C ZINC001475938880 937886176 /nfs/dbraw/zinc/88/61/76/937886176.db2.gz UNEQPXITCGPOIE-UHFFFAOYSA-N -1 3 288.322 3.470 20 10 CGCDHM C=Cc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001559037109 938219210 /nfs/dbraw/zinc/21/92/10/938219210.db2.gz JDSMBRJAAKMTLJ-UHFFFAOYSA-N -1 3 271.291 3.104 20 10 CGCDHM C[C@H](CNC(=O)NCc1c([O-])cccc1F)C(C)(C)C ZINC001565359693 960769183 /nfs/dbraw/zinc/76/91/83/960769183.db2.gz ORRSBHZUQBCDSX-SNVBAGLBSA-N -1 3 282.359 3.013 20 10 CGCDHM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC001570340062 961950050 /nfs/dbraw/zinc/95/00/50/961950050.db2.gz TXSSPHMVCAGATP-CHWSQXEVSA-N -1 3 291.391 3.434 20 10 CGCDHM C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1[O-] ZINC001589128432 963351161 /nfs/dbraw/zinc/35/11/61/963351161.db2.gz JLQFKDAZGNWDSA-SNVBAGLBSA-N -1 3 289.306 3.080 20 10 CGCDHM C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594352553 999334930 /nfs/dbraw/zinc/33/49/30/999334930.db2.gz IQPXTYKNBSZHQM-WZRBSPASSA-N -1 3 277.364 3.320 20 10 CGCDHM C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000273438554 296158690 /nfs/dbraw/zinc/15/86/90/296158690.db2.gz XVXAVERVYPMJRW-GHMZBOCLSA-N -1 3 287.319 3.107 20 10 CGCDHM C[C@H](N[C@H](C1CC1)C(F)(F)F)c1ccccc1[O-] ZINC000287432889 371656950 /nfs/dbraw/zinc/65/69/50/371656950.db2.gz SZDZLTZOFNMGMC-QPUJVOFHSA-N -1 3 259.271 3.384 20 10 CGCDHM COCCN(Cc1ccc(C)o1)Cc1cccc(F)c1[O-] ZINC000272215637 378587250 /nfs/dbraw/zinc/58/72/50/378587250.db2.gz BCGGFHVRDQOULU-UHFFFAOYSA-N -1 3 293.338 3.081 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCCC12CCCCC2 ZINC000365778220 382293788 /nfs/dbraw/zinc/29/37/88/382293788.db2.gz ORTHKYKEBQZUON-UHFFFAOYSA-N -1 3 275.348 3.037 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCC(n2ccnc2)CC1 ZINC000122571013 392423247 /nfs/dbraw/zinc/42/32/47/392423247.db2.gz FOOFZAVDUYOSLM-UHFFFAOYSA-N -1 3 291.782 3.079 20 10 CGCDHM CC[C@H](NCc1nccn1C)c1cccc(Cl)c1[O-] ZINC000287816003 288051249 /nfs/dbraw/zinc/05/12/49/288051249.db2.gz UXSGHIYMMVIDJO-LBPRGKRZSA-N -1 3 279.771 3.020 20 10 CGCDHM CCn1nncc1CN[C@@H](C)c1ccc2ccccc2c1[O-] ZINC000527921138 330295831 /nfs/dbraw/zinc/29/58/31/330295831.db2.gz VFZYBYGODLLMQS-LBPRGKRZSA-N -1 3 296.374 3.008 20 10 CGCDHM CC[C@H](C)c1nnc([C@@H](C)NCc2cccc(F)c2[O-])[nH]1 ZINC000277327960 522050705 /nfs/dbraw/zinc/05/07/05/522050705.db2.gz UFCMBCJZQTVDHO-VHSXEESVSA-N -1 3 292.358 3.014 20 10 CGCDHM CC[C@H](C)c1nc([C@@H](C)NCc2cccc(F)c2[O-])n[nH]1 ZINC000277327960 522050716 /nfs/dbraw/zinc/05/07/16/522050716.db2.gz UFCMBCJZQTVDHO-VHSXEESVSA-N -1 3 292.358 3.014 20 10 CGCDHM CCc1nnc(CN[C@@H](C)c2cc(Cl)ccc2[O-])s1 ZINC000290076135 522741239 /nfs/dbraw/zinc/74/12/39/522741239.db2.gz GMHRWHPZXGDWSV-QMMMGPOBSA-N -1 3 297.811 3.310 20 10 CGCDHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1cccnc1 ZINC000062745038 525531630 /nfs/dbraw/zinc/53/16/30/525531630.db2.gz NSVVVCZUSXBFMV-QWRGUYRKSA-N -1 3 260.312 3.338 20 10 CGCDHM C[C@@H](N[C@@H](C)c1cccnc1)c1ccc(F)cc1[O-] ZINC000062745040 525617920 /nfs/dbraw/zinc/61/79/20/525617920.db2.gz NSVVVCZUSXBFMV-WDEREUQCSA-N -1 3 260.312 3.338 20 10 CGCDHM Cc1noc(C)c1C(C)(C)NCc1cccc(F)c1[O-] ZINC000289960779 526476856 /nfs/dbraw/zinc/47/68/56/526476856.db2.gz YLBXMHDDSXQTGU-UHFFFAOYSA-N -1 3 278.327 3.161 20 10 CGCDHM O=C(NCCC1=CCCCC1)c1cc([O-])cs1 ZINC000731864459 572430283 /nfs/dbraw/zinc/43/02/83/572430283.db2.gz WTCNIDKXVUDDPO-UHFFFAOYSA-N -1 3 251.351 3.074 20 10 CGCDHM Cc1ccccc1CN(C)C(=O)c1cc([O-])cs1 ZINC000731867118 572432955 /nfs/dbraw/zinc/43/29/55/572432955.db2.gz VQCOSRKPXTYSEK-UHFFFAOYSA-N -1 3 261.346 3.034 20 10 CGCDHM C[C@H](NC(=O)c1cc([O-])cs1)c1c(F)cccc1F ZINC000732268595 572456220 /nfs/dbraw/zinc/45/62/20/572456220.db2.gz KMKSKDFLZDFSGO-ZETCQYMHSA-N -1 3 283.299 3.223 20 10 CGCDHM C[C@H](CNC(=O)c1cc([O-])cs1)c1ccc(F)cc1 ZINC000732277821 572457065 /nfs/dbraw/zinc/45/70/65/572457065.db2.gz PURRBHIZNMZGMB-SECBINFHSA-N -1 3 279.336 3.126 20 10 CGCDHM O=C(NCc1cc2c(s1)CCCC2)c1cc([O-])cs1 ZINC000732272798 572457302 /nfs/dbraw/zinc/45/73/02/572457302.db2.gz BVFHDJOSDXAGAS-UHFFFAOYSA-N -1 3 293.413 3.324 20 10 CGCDHM CC[C@H]1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000740932350 572469364 /nfs/dbraw/zinc/46/93/64/572469364.db2.gz HTZAGBAYBVXDAA-UWVGGRQHSA-N -1 3 253.367 3.152 20 10 CGCDHM CC(C)(C)c1cnc(NC(=O)c2cc([O-])cs2)s1 ZINC000743740958 572681173 /nfs/dbraw/zinc/68/11/73/572681173.db2.gz XCQGFSSOUAHROP-UHFFFAOYSA-N -1 3 282.390 3.460 20 10 CGCDHM O=C([O-])CCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000821521441 598166102 /nfs/dbraw/zinc/16/61/02/598166102.db2.gz FUMWPSBWVPNOJZ-UHFFFAOYSA-N -1 3 299.370 3.404 20 10 CGCDHM CCC[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000829497102 604770288 /nfs/dbraw/zinc/77/02/88/604770288.db2.gz WPKVPAZZEYGFLW-KRWDZBQOSA-N -1 3 299.370 3.430 20 10 CGCDHM CCC[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000829497102 604770290 /nfs/dbraw/zinc/77/02/90/604770290.db2.gz WPKVPAZZEYGFLW-KRWDZBQOSA-N -1 3 299.370 3.430 20 10 CGCDHM Cc1cc([O-])c(CN(C)Cc2ccccn2)c(Cl)c1 ZINC000840938368 619227957 /nfs/dbraw/zinc/22/79/57/619227957.db2.gz CGQMPNOTLGRRDA-UHFFFAOYSA-N -1 3 276.767 3.381 20 10 CGCDHM [O-]c1c(CN[C@@H]2CCCc3cccnc32)ccc(F)c1F ZINC000897070079 620134288 /nfs/dbraw/zinc/13/42/88/620134288.db2.gz AVVKKGPSEXRICA-CYBMUJFWSA-N -1 3 290.313 3.233 20 10 CGCDHM Cc1oc(C(C)C)cc1C(=O)NCc1c([O-])cccc1F ZINC000928708485 620207825 /nfs/dbraw/zinc/20/78/25/620207825.db2.gz MGGATMJLRWVDDC-UHFFFAOYSA-N -1 3 291.322 3.486 20 10 CGCDHM C[C@@H](N[C@@H](C)c1c([O-])cccc1F)c1cncs1 ZINC000903305375 621679318 /nfs/dbraw/zinc/67/93/18/621679318.db2.gz LKUGVBMVONEQSS-BDAKNGLRSA-N -1 3 266.341 3.400 20 10 CGCDHM C[C@@H]1CSCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000754156536 626561585 /nfs/dbraw/zinc/56/15/85/626561585.db2.gz SDYFYTIFLQUISD-VIFPVBQESA-N -1 3 289.803 3.370 20 10 CGCDHM Cc1occc1CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756483756 626709058 /nfs/dbraw/zinc/70/90/58/626709058.db2.gz XJWTUJAZKKDADY-MRVPVSSYSA-N -1 3 267.275 3.423 20 10 CGCDHM CCCN(CC(=O)OC(C)(C)C)Cc1cc(F)ccc1[O-] ZINC000758027979 626822150 /nfs/dbraw/zinc/82/21/50/626822150.db2.gz BDAVQBMFMDGOMN-UHFFFAOYSA-N -1 3 297.370 3.085 20 10 CGCDHM CCOC(=O)CN(Cc1c([O-])cccc1Cl)CC(C)C ZINC000768762747 627497079 /nfs/dbraw/zinc/49/70/79/627497079.db2.gz VXSQNACCWNAMFM-UHFFFAOYSA-N -1 3 299.798 3.067 20 10 CGCDHM Cc1conc1NCc1cc(C)cc(Br)c1[O-] ZINC000769652144 627571484 /nfs/dbraw/zinc/57/14/84/627571484.db2.gz CHFTVSZMGXCIEH-UHFFFAOYSA-N -1 3 297.152 3.372 20 10 CGCDHM [O-]c1ccc(Br)cc1CN1CCC=C(F)C1 ZINC000770667721 627635979 /nfs/dbraw/zinc/63/59/79/627635979.db2.gz SKNOMXKOJXGZJA-UHFFFAOYSA-N -1 3 286.144 3.214 20 10 CGCDHM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000773214179 627867896 /nfs/dbraw/zinc/86/78/96/627867896.db2.gz LTCGLSNTGIVWAO-CYBMUJFWSA-N -1 3 299.370 3.109 20 10 CGCDHM Cc1ccc(C(=O)Nc2cccc3cc[nH]c32)c([O-])c1O ZINC000775286905 628079056 /nfs/dbraw/zinc/07/90/56/628079056.db2.gz DURIRVDXUZJIEW-UHFFFAOYSA-N -1 3 282.299 3.140 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1nnc(C2CC2)s1 ZINC000777507056 628276672 /nfs/dbraw/zinc/27/66/72/628276672.db2.gz NTHDGHZLBKEBEK-UHFFFAOYSA-N -1 3 281.768 3.387 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1cccc2c1OCO2 ZINC000782381558 628642956 /nfs/dbraw/zinc/64/29/56/628642956.db2.gz NMGGADDBFDDWQK-UHFFFAOYSA-N -1 3 277.707 3.386 20 10 CGCDHM CCCCC[C@@H](NCc1cc(Cl)ccc1[O-])C(=O)OC ZINC000789574252 629145503 /nfs/dbraw/zinc/14/55/03/629145503.db2.gz CDDBYQRNEDNGIJ-CYBMUJFWSA-N -1 3 299.798 3.257 20 10 CGCDHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000790646563 629222571 /nfs/dbraw/zinc/22/25/71/629222571.db2.gz NOGBLMJIJXNVOA-NEPJUHHUSA-N -1 3 277.364 3.042 20 10 CGCDHM Cc1cc(Br)c([O-])c(CN2[C@@H](C)C[C@@H]2C)c1 ZINC000793227279 629431548 /nfs/dbraw/zinc/43/15/48/629431548.db2.gz AXVFAKPPAITRJT-UWVGGRQHSA-N -1 3 284.197 3.446 20 10 CGCDHM Cc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000120097169 629858715 /nfs/dbraw/zinc/85/87/15/629858715.db2.gz XZWGLCLETWBXPJ-SNVBAGLBSA-N -1 3 276.292 3.053 20 10 CGCDHM CCc1nocc1CN(C)Cc1cc(Cl)ccc1[O-] ZINC000816652355 632039371 /nfs/dbraw/zinc/03/93/71/632039371.db2.gz HXWKTROKKBXGAS-UHFFFAOYSA-N -1 3 280.755 3.228 20 10 CGCDHM Cc1cc([O-])c(CN2CC3(CC3(F)F)C2)cc1Cl ZINC000826535026 633411792 /nfs/dbraw/zinc/41/17/92/633411792.db2.gz PREHQNWIPJIUMC-UHFFFAOYSA-N -1 3 273.710 3.195 20 10 CGCDHM CC[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1ccc(F)cc1[O-] ZINC000834894299 634272317 /nfs/dbraw/zinc/27/23/17/634272317.db2.gz KBQPACIWZVGDLZ-SWHYSGLUSA-N -1 3 289.354 3.475 20 10 CGCDHM C[C@H]1Oc2ccccc2[C@H]1NCc1ccc(F)c(F)c1[O-] ZINC000877536546 635077422 /nfs/dbraw/zinc/07/74/22/635077422.db2.gz ULYSJRCMQGZUIM-PSLIRLAXSA-N -1 3 291.297 3.282 20 10 CGCDHM CCn1cc(CN(C)Cc2c([O-])cc(C)cc2Cl)cn1 ZINC000840915570 635081217 /nfs/dbraw/zinc/08/12/17/635081217.db2.gz RCSKIBCIIOESAE-UHFFFAOYSA-N -1 3 293.798 3.202 20 10 CGCDHM Cc1cc([O-])c(CN[C@H]2C[C@H](C)n3ccnc32)c(Cl)c1 ZINC000840949787 635090607 /nfs/dbraw/zinc/09/06/07/635090607.db2.gz CEAJIGWRIMXSGL-GWCFXTLKSA-N -1 3 291.782 3.346 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCS[C@@H](C)[C@H]2C)c1[O-] ZINC000135834650 637190592 /nfs/dbraw/zinc/19/05/92/637190592.db2.gz NVWHNTOZZWVDEJ-KOLCDFICSA-N -1 3 297.395 3.060 20 10 CGCDHM CC(C)c1nnc([C@H](C)N[C@H](C)c2c([O-])cccc2F)[nH]1 ZINC000886558654 637581055 /nfs/dbraw/zinc/58/10/55/637581055.db2.gz PBJDJXCTHZOKNO-ZJUUUORDSA-N -1 3 292.358 3.185 20 10 CGCDHM CS[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000394998329 799501787 /nfs/dbraw/zinc/50/17/87/799501787.db2.gz ILCRLPBFIYMVSK-LBPRGKRZSA-N -1 3 299.823 3.186 20 10 CGCDHM [O-]c1cc(Br)ccc1CN1CCC[C@H](F)C1 ZINC000691679557 799787164 /nfs/dbraw/zinc/78/71/64/799787164.db2.gz JZWBODNIRDUIES-NSHDSACASA-N -1 3 288.160 3.089 20 10 CGCDHM CCC(F)(F)CNCc1c([O-])cccc1Br ZINC000706835686 799967547 /nfs/dbraw/zinc/96/75/47/799967547.db2.gz MLCSVRGGLYLGAS-UHFFFAOYSA-N -1 3 294.139 3.290 20 10 CGCDHM Cc1noc(C)c1[C@H](C)NCc1cc(F)cc(F)c1[O-] ZINC000708481264 799989950 /nfs/dbraw/zinc/98/99/50/799989950.db2.gz PKCPOTVSZDYYTJ-ZETCQYMHSA-N -1 3 282.290 3.126 20 10 CGCDHM O=C(Nc1ccc(C2CC2)cc1)c1cccc(O)c1[O-] ZINC000709686942 800013784 /nfs/dbraw/zinc/01/37/84/800013784.db2.gz QWYIVVIOLGYFNU-UHFFFAOYSA-N -1 3 269.300 3.228 20 10 CGCDHM Cc1ccc2ccnc(NC(=O)c3cccc(O)c3[O-])c2c1 ZINC001163960737 806863234 /nfs/dbraw/zinc/86/32/34/806863234.db2.gz PTZMFFLEHFSCEB-UHFFFAOYSA-N -1 3 294.310 3.207 20 10 CGCDHM [O-]c1c(Cl)cccc1Nc1ccncc1Cl ZINC001212155132 814984696 /nfs/dbraw/zinc/98/46/96/814984696.db2.gz FAAXFMOETOWIPZ-UHFFFAOYSA-N -1 3 255.104 3.260 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCCC[C@@H]1C(F)(F)F ZINC001140055624 804363403 /nfs/dbraw/zinc/36/34/03/804363403.db2.gz NNAPZRMYBQBLMN-GFCCVEGCSA-N -1 3 277.261 3.448 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CCC[C@H]1c1ncccn1 ZINC001140468846 804442723 /nfs/dbraw/zinc/44/27/23/804442723.db2.gz ZTRJUEAADZUEKS-ZDUSSCGKSA-N -1 3 289.766 3.173 20 10 CGCDHM CN(Cc1ccccc1)Cc1c([O-])cc(F)cc1F ZINC001140579838 804466925 /nfs/dbraw/zinc/46/69/25/804466925.db2.gz IYEWTAKREPYRLR-UHFFFAOYSA-N -1 3 263.287 3.302 20 10 CGCDHM C[C@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@H](C2CC2)O1 ZINC001181373937 810048885 /nfs/dbraw/zinc/04/88/85/810048885.db2.gz UUGUGVHLVIILAC-BONVTDFDSA-N -1 3 281.783 3.045 20 10 CGCDHM Cc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001197459957 811424489 /nfs/dbraw/zinc/42/44/89/811424489.db2.gz YPCIWWKQJUSAFZ-UHFFFAOYSA-N -1 3 274.295 3.161 20 10 CGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCCC[C@@H](O)C1 ZINC001203574281 812397316 /nfs/dbraw/zinc/39/73/16/812397316.db2.gz SLNWEBVJWSDXOO-LLVKDONJSA-N -1 3 290.190 3.046 20 10 CGCDHM CN(CC(=O)c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC001203664515 812422283 /nfs/dbraw/zinc/42/22/83/812422283.db2.gz ILZIWIFVMNYQLY-UHFFFAOYSA-N -1 3 289.762 3.360 20 10 CGCDHM C[C@@H]1CCN(Cc2ccc(Cl)cc2[O-])C[C@@H]1F ZINC001204983934 812809650 /nfs/dbraw/zinc/80/96/50/812809650.db2.gz DOJVGXSFTZEVAG-SKDRFNHKSA-N -1 3 257.736 3.226 20 10 CGCDHM CC[C@]1(C)COCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001205474842 812989908 /nfs/dbraw/zinc/98/99/08/812989908.db2.gz DWRQUKUNWZMHCW-OAHLLOKOSA-N -1 3 283.799 3.355 20 10 CGCDHM CC(C)n1cc(NCc2cc(F)c(F)cc2[O-])cn1 ZINC001206471825 813329075 /nfs/dbraw/zinc/32/90/75/813329075.db2.gz PAXNSMPMYOBEMV-UHFFFAOYSA-N -1 3 267.279 3.060 20 10 CGCDHM CC(C)OC1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334784 818585401 /nfs/dbraw/zinc/58/54/01/818585401.db2.gz SZVGUNJHXJQVTG-UHFFFAOYSA-N -1 3 285.334 3.060 20 10 CGCDHM CN(Cc1cnccn1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236795981 819596586 /nfs/dbraw/zinc/59/65/86/819596586.db2.gz LYRWVJPJLYNUJT-UHFFFAOYSA-N -1 3 298.173 3.121 20 10 CGCDHM CC(=O)[C@@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795322 819598132 /nfs/dbraw/zinc/59/81/32/819598132.db2.gz CBWLTLKPIGBJGC-SECBINFHSA-N -1 3 288.174 3.110 20 10 CGCDHM COc1cc([O-])c(CN2CC[C@@H](C)[C@H](F)C2)c(Cl)c1 ZINC001236798908 819598958 /nfs/dbraw/zinc/59/89/58/819598958.db2.gz QCXJYMXVBHRPFP-NOZJJQNGSA-N -1 3 287.762 3.234 20 10 CGCDHM CC1(C)CN(Cc2cc(F)cc(Cl)c2[O-])CCCO1 ZINC001237800042 819845458 /nfs/dbraw/zinc/84/54/58/819845458.db2.gz VMPYULBAZPNNRD-UHFFFAOYSA-N -1 3 287.762 3.186 20 10 CGCDHM CCC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC001461958714 928770006 /nfs/dbraw/zinc/77/00/06/928770006.db2.gz KDUJJORCXBQFOZ-CYBMUJFWSA-N -1 3 283.799 3.355 20 10 CGCDHM CCn1c2ccccc2nc1CNCc1cccc(F)c1[O-] ZINC001462061458 937615135 /nfs/dbraw/zinc/61/51/35/937615135.db2.gz GHWQSKCGZXULJQ-UHFFFAOYSA-N -1 3 299.349 3.191 20 10 CGCDHM Cc1ccoc1CN(C)Cc1cc(F)c(F)cc1[O-] ZINC001462282030 937630045 /nfs/dbraw/zinc/63/00/45/937630045.db2.gz UTOOMERFGLSEKL-UHFFFAOYSA-N -1 3 267.275 3.204 20 10 CGCDHM Cc1ccc(C(=O)Nc2ccc(O)cc2Cl)c([O-])c1O ZINC001470054329 937747470 /nfs/dbraw/zinc/74/74/70/937747470.db2.gz CLBLOSVQMVIIPB-UHFFFAOYSA-N -1 3 293.706 3.018 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(Cl)cc1F ZINC001558454211 938215482 /nfs/dbraw/zinc/21/54/82/938215482.db2.gz BIRTWPHLHGGOSQ-UHFFFAOYSA-N -1 3 297.688 3.254 20 10 CGCDHM [O-]c1cccc(F)c1CNCc1cc(F)cc(F)c1 ZINC001561016280 938289585 /nfs/dbraw/zinc/28/95/85/938289585.db2.gz SJYYVZHDLUAAPW-UHFFFAOYSA-N -1 3 267.250 3.099 20 10 CGCDHM C[C@@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])CC(F)F ZINC001592707332 979188205 /nfs/dbraw/zinc/18/82/05/979188205.db2.gz ZDABFRRDGLVELZ-RKDXNWHRSA-N -1 3 287.306 3.032 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000293842480 372499424 /nfs/dbraw/zinc/49/94/24/372499424.db2.gz BCUGFOAVVSTGFN-HOTGVXAUSA-N -1 3 293.794 3.189 20 10 CGCDHM Cc1ncc(CN(C)Cc2c([O-])cccc2Cl)s1 ZINC000271120386 378456469 /nfs/dbraw/zinc/45/64/69/378456469.db2.gz JSBXGVCDIZDSLZ-UHFFFAOYSA-N -1 3 282.796 3.443 20 10 CGCDHM CN(CCc1nccs1)Cc1c([O-])cccc1Cl ZINC000271218788 378483395 /nfs/dbraw/zinc/48/33/95/378483395.db2.gz OAAQOUCIZYLHKS-UHFFFAOYSA-N -1 3 282.796 3.177 20 10 CGCDHM Cc1nc(C(C)(C)NCc2cc(Cl)cc(C)c2[O-])no1 ZINC000271891689 378511374 /nfs/dbraw/zinc/51/13/74/378511374.db2.gz SCESJVIWODBNJG-UHFFFAOYSA-N -1 3 295.770 3.070 20 10 CGCDHM O=C(COC(=O)c1cc([O-])cs1)c1ccc(Cl)cc1 ZINC000731912248 572436422 /nfs/dbraw/zinc/43/64/22/572436422.db2.gz RTCKUJKSPAQCQS-UHFFFAOYSA-N -1 3 296.731 3.147 20 10 CGCDHM CCCCc1noc([C@H](C)N(C)Cc2ccccc2[O-])n1 ZINC000109773274 392373074 /nfs/dbraw/zinc/37/30/74/392373074.db2.gz IEVKWSKLKWATGG-LBPRGKRZSA-N -1 3 289.379 3.311 20 10 CGCDHM CCCN(Cc1cscn1)Cc1ccccc1[O-] ZINC000174373202 392640529 /nfs/dbraw/zinc/64/05/29/392640529.db2.gz BWIGKMGMGHJHCD-UHFFFAOYSA-N -1 3 262.378 3.261 20 10 CGCDHM [O-]c1ccccc1CN1CCO[C@H](c2ccsc2)C1 ZINC000179582133 392704804 /nfs/dbraw/zinc/70/48/04/392704804.db2.gz NKPWQRHDXGPYPC-HNNXBMFYSA-N -1 3 275.373 3.027 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCOC[C@H]1c1ccccc1 ZINC000374891061 392714236 /nfs/dbraw/zinc/71/42/36/392714236.db2.gz FRPNVEXHJGYUIZ-INIZCTEOSA-N -1 3 287.334 3.105 20 10 CGCDHM O=C(N[C@H]1C[C@H]1C1CCCCC1)c1cc([O-])cs1 ZINC000743655580 572676802 /nfs/dbraw/zinc/67/68/02/572676802.db2.gz UNFHAPMOFXPMGD-RYUDHWBXSA-N -1 3 265.378 3.152 20 10 CGCDHM COc1cc(Cl)cc(CN(C)Cc2cccnc2)c1[O-] ZINC000184713219 262027229 /nfs/dbraw/zinc/02/72/29/262027229.db2.gz YASXSNZUHOQZOS-UHFFFAOYSA-N -1 3 292.766 3.081 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCC[C@@H]1c1nccs1 ZINC000378490022 329052728 /nfs/dbraw/zinc/05/27/28/329052728.db2.gz CMEXRTYISHMBFO-GFCCVEGCSA-N -1 3 278.352 3.325 20 10 CGCDHM C[C@@H](NCc1cccc2c1OCO2)c1ccc(F)cc1[O-] ZINC000062747995 525536638 /nfs/dbraw/zinc/53/66/38/525536638.db2.gz FSMHGLBERCKHSD-SNVBAGLBSA-N -1 3 289.306 3.111 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(F)cc1[O-] ZINC000062745003 525615292 /nfs/dbraw/zinc/61/52/92/525615292.db2.gz NLMPAYNEDFIOKZ-MNOVXSKESA-N -1 3 260.312 3.338 20 10 CGCDHM CN(CC1CCCCC1)C(=O)c1cc([O-])cs1 ZINC000732266923 572455094 /nfs/dbraw/zinc/45/50/94/572455094.db2.gz QAWWRRTWWQZFNL-UHFFFAOYSA-N -1 3 253.367 3.106 20 10 CGCDHM CCOc1ccc(NC(=O)c2cc([O-])cs2)c(C)c1 ZINC000732273716 572456843 /nfs/dbraw/zinc/45/68/43/572456843.db2.gz JEYHXJVWFIGGCL-UHFFFAOYSA-N -1 3 277.345 3.413 20 10 CGCDHM CC(C)Oc1ccccc1CNC(=O)c1cc([O-])cs1 ZINC000732276197 572456973 /nfs/dbraw/zinc/45/69/73/572456973.db2.gz WQOSIPGNZZRRIJ-UHFFFAOYSA-N -1 3 291.372 3.171 20 10 CGCDHM COc1cc(C)ccc1NC(=O)c1cc([O-])cs1 ZINC000732274524 572456992 /nfs/dbraw/zinc/45/69/92/572456992.db2.gz UUJDQKFTGJAVJW-UHFFFAOYSA-N -1 3 263.318 3.023 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CC[C@@H](c2ccccc2)C1 ZINC000732279518 572458139 /nfs/dbraw/zinc/45/81/39/572458139.db2.gz SNNVDUJMSHEEDN-GFCCVEGCSA-N -1 3 273.357 3.083 20 10 CGCDHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cc([O-])cs1)CC2 ZINC000732289722 572459051 /nfs/dbraw/zinc/45/90/51/572459051.db2.gz WDDXZZYJKWGRLB-ZDUSSCGKSA-N -1 3 273.357 3.179 20 10 CGCDHM O=C(OCc1cc(F)ccc1F)c1cc([O-])cs1 ZINC000732353945 572461280 /nfs/dbraw/zinc/46/12/80/572461280.db2.gz MDDDPZGHJGREHO-UHFFFAOYSA-N -1 3 270.256 3.089 20 10 CGCDHM Cc1ccccc1OCCCOC(=O)c1cc([O-])cs1 ZINC000732354122 572461320 /nfs/dbraw/zinc/46/13/20/572461320.db2.gz DTLIYYBGIPDLMZ-UHFFFAOYSA-N -1 3 292.356 3.388 20 10 CGCDHM C[C@H]1CCCC[C@H]1OCCOC(=O)c1cc([O-])cs1 ZINC000732353987 572461452 /nfs/dbraw/zinc/46/14/52/572461452.db2.gz XTMFCYXEZYTFKI-CMPLNLGQSA-N -1 3 284.377 3.206 20 10 CGCDHM COc1ccc(CNCc2c([O-])cccc2Cl)cc1F ZINC000733322165 572555297 /nfs/dbraw/zinc/55/52/97/572555297.db2.gz AWLXNQWRQWGVRD-UHFFFAOYSA-N -1 3 295.741 3.483 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000743546531 572671084 /nfs/dbraw/zinc/67/10/84/572671084.db2.gz NRQSTIVJXISING-ZDUSSCGKSA-N -1 3 287.384 3.159 20 10 CGCDHM C[C@H](C[N@H+](Cc1c([O-])ccc2ccccc21)C1CC1)C(=O)[O-] ZINC000736583142 572800715 /nfs/dbraw/zinc/80/07/15/572800715.db2.gz KTPFVAZJFVJCFT-GFCCVEGCSA-N -1 3 299.370 3.231 20 10 CGCDHM C[C@H](C[N@@H+](Cc1c([O-])ccc2ccccc21)C1CC1)C(=O)[O-] ZINC000736583142 572800718 /nfs/dbraw/zinc/80/07/18/572800718.db2.gz KTPFVAZJFVJCFT-GFCCVEGCSA-N -1 3 299.370 3.231 20 10 CGCDHM CCC[N@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1[O-] ZINC000737019361 572839925 /nfs/dbraw/zinc/83/99/25/572839925.db2.gz HRMSITLUAFPASP-UHFFFAOYSA-N -1 3 289.331 3.096 20 10 CGCDHM CCC[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1ccccc1[O-] ZINC000737019361 572839929 /nfs/dbraw/zinc/83/99/29/572839929.db2.gz HRMSITLUAFPASP-UHFFFAOYSA-N -1 3 289.331 3.096 20 10 CGCDHM CSc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000177665192 618834865 /nfs/dbraw/zinc/83/48/65/618834865.db2.gz BLGWHBVUARCYSV-UHFFFAOYSA-N -1 3 289.356 3.380 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)[C@H](c1ccccc1)C1CC1 ZINC000928706498 620208068 /nfs/dbraw/zinc/20/80/68/620208068.db2.gz URMBXSRSUFJMTR-QGZVFWFLSA-N -1 3 299.345 3.341 20 10 CGCDHM CCc1onc(C)c1CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000927140674 620600699 /nfs/dbraw/zinc/60/06/99/620600699.db2.gz SVKFMEFHOFEAQG-QMMMGPOBSA-N -1 3 296.317 3.380 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N(CC1CC1)c1ccccc1 ZINC000185816572 625450455 /nfs/dbraw/zinc/45/04/55/625450455.db2.gz YIOGHCBMZMSLMY-UHFFFAOYSA-N -1 3 283.327 3.155 20 10 CGCDHM CCCC[C@H](CCC)NC(=O)c1cccc(O)c1[O-] ZINC000229413152 623130485 /nfs/dbraw/zinc/13/04/85/623130485.db2.gz WJMWTCMHXVJPAC-NSHDSACASA-N -1 3 265.353 3.187 20 10 CGCDHM Cc1cc([N-]S(=O)(=O)c2ccccc2)c(C)c(C)c1O ZINC000187058229 626117898 /nfs/dbraw/zinc/11/78/98/626117898.db2.gz BYEKCHOFCVSDTR-UHFFFAOYSA-N -1 3 291.372 3.118 20 10 CGCDHM C[C@H](NCc1ccoc1)c1cc(F)cc(F)c1[O-] ZINC000756448579 626707226 /nfs/dbraw/zinc/70/72/26/626707226.db2.gz CLHPTCAYPSKXHS-QMMMGPOBSA-N -1 3 253.248 3.114 20 10 CGCDHM CCN(CC)c1ccc(C=Cc2nccc(=O)[n-]2)cc1F ZINC000764442325 627207794 /nfs/dbraw/zinc/20/77/94/627207794.db2.gz OIAVWSOXHAUFGP-VURMDHGXSA-N -1 3 287.338 3.338 20 10 CGCDHM CC(C)[C@@H]1CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000775763501 628134098 /nfs/dbraw/zinc/13/40/98/628134098.db2.gz HMGCHCQGBRTTQY-NSHDSACASA-N -1 3 284.743 3.184 20 10 CGCDHM C[C@H]1CCN(Cc2cc(Cl)ccc2[O-])C[C@@H]1F ZINC000779151494 628390803 /nfs/dbraw/zinc/39/08/03/628390803.db2.gz YVBSLWLOWFANCJ-CABZTGNLSA-N -1 3 257.736 3.226 20 10 CGCDHM Cc1ccc(CN(C)Cc2c([O-])cccc2Cl)nc1 ZINC000789590575 629148800 /nfs/dbraw/zinc/14/88/00/629148800.db2.gz ULFJRTOZAZSVHT-UHFFFAOYSA-N -1 3 276.767 3.381 20 10 CGCDHM COC1(C)CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792174292 629344682 /nfs/dbraw/zinc/34/46/82/629344682.db2.gz QDWLPTUVDUREBW-UHFFFAOYSA-N -1 3 287.762 3.186 20 10 CGCDHM Cc1cc(CN(C)Cc2ccc3ccccc3c2[O-])no1 ZINC000816489880 631991088 /nfs/dbraw/zinc/99/10/88/631991088.db2.gz GAXJYDLRLGPINQ-UHFFFAOYSA-N -1 3 282.343 3.474 20 10 CGCDHM CCOC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816489461 631991733 /nfs/dbraw/zinc/99/17/33/631991733.db2.gz VGNTXFRHPDGTDQ-UHFFFAOYSA-N -1 3 287.762 3.186 20 10 CGCDHM C[C@H](NCc1cc(Cl)c(F)cc1[O-])c1ccccn1 ZINC000816528771 632004484 /nfs/dbraw/zinc/00/44/84/632004484.db2.gz QZISGWUCUBCMCY-VIFPVBQESA-N -1 3 280.730 3.431 20 10 CGCDHM CS[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000824683790 633273064 /nfs/dbraw/zinc/27/30/64/633273064.db2.gz WJVHXDYAPJLVQJ-QMMMGPOBSA-N -1 3 275.776 3.122 20 10 CGCDHM O=C(Nc1cccc2c1CCCC2)c1cccc(O)c1[O-] ZINC000126204145 634918671 /nfs/dbraw/zinc/91/86/71/634918671.db2.gz OUZGPDDFKJFNQQ-UHFFFAOYSA-N -1 3 283.327 3.229 20 10 CGCDHM O=C(Nc1ccc(F)c(Cl)c1)c1cccc(O)c1[O-] ZINC000126239339 634926445 /nfs/dbraw/zinc/92/64/45/634926445.db2.gz MCKXJAFKCUYVRS-UHFFFAOYSA-N -1 3 281.670 3.143 20 10 CGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Cl)s1 ZINC000126300081 634956168 /nfs/dbraw/zinc/95/61/68/634956168.db2.gz HZOTVZDOSWMYCL-ZETCQYMHSA-N -1 3 297.763 3.304 20 10 CGCDHM Cc1cc([C@@H](C)NC(=O)c2cccc(O)c2[O-])c(C)s1 ZINC000126310993 634959203 /nfs/dbraw/zinc/95/92/03/634959203.db2.gz XPDATOZAMHCQNO-SECBINFHSA-N -1 3 291.372 3.267 20 10 CGCDHM CCCc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000126319483 634961847 /nfs/dbraw/zinc/96/18/47/634961847.db2.gz DCZSOGPXSNOCFD-UHFFFAOYSA-N -1 3 271.316 3.303 20 10 CGCDHM Cc1cc([O-])c(CN[C@H]2C[C@@H](C)n3ccnc32)c(Cl)c1 ZINC000840949796 635091383 /nfs/dbraw/zinc/09/13/83/635091383.db2.gz CEAJIGWRIMXSGL-MFKMUULPSA-N -1 3 291.782 3.346 20 10 CGCDHM CCc1nc(C)c(CN[C@H](C)c2c([O-])cccc2F)o1 ZINC000886614078 637607249 /nfs/dbraw/zinc/60/72/49/637607249.db2.gz MUQGVSLZTVHNIL-SNVBAGLBSA-N -1 3 278.327 3.241 20 10 CGCDHM COCc1ccnc(N[C@H](C)c2c([O-])cccc2F)c1 ZINC000886633280 637619474 /nfs/dbraw/zinc/61/94/74/637619474.db2.gz QUGIMJUWSQENLM-SNVBAGLBSA-N -1 3 276.311 3.246 20 10 CGCDHM C[C@@H](NCc1cc(C2CC2)no1)c1c([O-])cccc1F ZINC000886685878 637651201 /nfs/dbraw/zinc/65/12/01/637651201.db2.gz FPCWXXUXNILRQN-SECBINFHSA-N -1 3 276.311 3.248 20 10 CGCDHM [O-]c1c(CN2CCC(C(F)F)CC2)ccc(F)c1F ZINC000703490330 799923870 /nfs/dbraw/zinc/92/38/70/799923870.db2.gz MHCCWWXEEXWERQ-UHFFFAOYSA-N -1 3 277.261 3.148 20 10 CGCDHM CC[C@@H]1CO[C@@H](CC)CN1Cc1cc(F)cc(F)c1[O-] ZINC000708422321 799989129 /nfs/dbraw/zinc/98/91/29/799989129.db2.gz MJYCEPUHURNHCO-OLZOCXBDSA-N -1 3 285.334 3.060 20 10 CGCDHM Cc1ccc([N+](=O)[O-])c(NCc2c([O-])cccc2F)c1 ZINC001164185629 806909971 /nfs/dbraw/zinc/90/99/71/806909971.db2.gz ONGASYPAOZLDLJ-UHFFFAOYSA-N -1 3 276.267 3.360 20 10 CGCDHM CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1c([O-])cccc1Cl ZINC001140341922 804419974 /nfs/dbraw/zinc/41/99/74/804419974.db2.gz LCYMTBFPBRJXAG-HZMBPMFUSA-N -1 3 299.798 3.065 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N(C1CC1)C1CCCCC1 ZINC001142049435 804692732 /nfs/dbraw/zinc/69/27/32/804692732.db2.gz SIFOBOMNKSDYJE-UHFFFAOYSA-N -1 3 275.348 3.035 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@H](C(F)(F)F)C1 ZINC001142520400 804729842 /nfs/dbraw/zinc/72/98/42/804729842.db2.gz IBQHLMKDFLBPEI-VIFPVBQESA-N -1 3 295.251 3.445 20 10 CGCDHM CCN(Cc1ccccc1O)Cc1cc(F)c([O-])cc1F ZINC001144659534 805028573 /nfs/dbraw/zinc/02/85/73/805028573.db2.gz MEOZJNPBVZGQHU-UHFFFAOYSA-N -1 3 293.313 3.398 20 10 CGCDHM O=C(Nc1ccccc1C(F)F)c1cccc(O)c1[O-] ZINC001148218587 805168523 /nfs/dbraw/zinc/16/85/23/805168523.db2.gz GPQXTLLWSNRFIC-UHFFFAOYSA-N -1 3 279.242 3.288 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)Nc1cc(F)ccc1F ZINC001214159678 815374072 /nfs/dbraw/zinc/37/40/72/815374072.db2.gz OJRDNNDZYCQYKK-UHFFFAOYSA-N -1 3 296.248 3.131 20 10 CGCDHM Cc1cc(C)cc(-c2noc(-c3cccc(O)c3[O-])n2)c1 ZINC001215145838 815488650 /nfs/dbraw/zinc/48/86/50/815488650.db2.gz MFZQOFKNCDTWLJ-UHFFFAOYSA-N -1 3 282.299 3.432 20 10 CGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCCC[C@H]1CO ZINC001203571196 812396487 /nfs/dbraw/zinc/39/64/87/812396487.db2.gz JNJCRHCPWPWPOG-NSHDSACASA-N -1 3 290.190 3.046 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CC[C@@H](CF)C(F)(F)C1 ZINC001203651166 812415598 /nfs/dbraw/zinc/41/55/98/812415598.db2.gz KBWKZXSAYAKXOT-JTQLQIEISA-N -1 3 293.716 3.472 20 10 CGCDHM CC[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@H](C)O1 ZINC001204899890 812767441 /nfs/dbraw/zinc/76/74/41/812767441.db2.gz UMFPWBOIJLGSIK-AAEUAGOBSA-N -1 3 283.799 3.353 20 10 CGCDHM C[C@H]1CCN(Cc2ccc(Cl)cc2[O-])C[C@H]1F ZINC001204983933 812809445 /nfs/dbraw/zinc/80/94/45/812809445.db2.gz DOJVGXSFTZEVAG-JOYOIKCWSA-N -1 3 257.736 3.226 20 10 CGCDHM COc1ccc(CN2CC3(CCC3)C2)c([O-])c1Cl ZINC001236803715 819602281 /nfs/dbraw/zinc/60/22/81/819602281.db2.gz WNQBXROOAWRDEN-UHFFFAOYSA-N -1 3 267.756 3.040 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@H]2CCCO[C@@H]2C1 ZINC001237799175 819844321 /nfs/dbraw/zinc/84/43/21/819844321.db2.gz DSTZZDDWUBNCAB-QMTHXVAHSA-N -1 3 299.773 3.186 20 10 CGCDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)ccc1Cl ZINC001303878977 932835972 /nfs/dbraw/zinc/83/59/72/932835972.db2.gz SSDQLLCTUUGGLD-UHFFFAOYSA-N -1 3 293.725 3.423 20 10 CGCDHM C[C@@H](C(=O)NCc1c([O-])cccc1F)c1cccc(F)c1 ZINC001303879323 932836915 /nfs/dbraw/zinc/83/69/15/932836915.db2.gz XYHIIYKQZBBKQF-SNVBAGLBSA-N -1 3 291.297 3.090 20 10 CGCDHM Cc1cc([O-])c(CN2CCOC3(CCCC3)C2)c(Cl)c1 ZINC001308609457 933141807 /nfs/dbraw/zinc/14/18/07/933141807.db2.gz POGANXAYOHQHKY-UHFFFAOYSA-N -1 3 295.810 3.499 20 10 CGCDHM [O-]c1cc(Cl)ccc1CNCc1nnc(C2CC2)s1 ZINC001308819486 933182828 /nfs/dbraw/zinc/18/28/28/933182828.db2.gz KGGVCKFCTSIQNE-UHFFFAOYSA-N -1 3 295.795 3.064 20 10 CGCDHM COc1cc(NCc2ccc(Cl)cc2[O-])cnc1OC ZINC001308867933 933194114 /nfs/dbraw/zinc/19/41/14/933194114.db2.gz ITJRQKXZQRWHGD-UHFFFAOYSA-N -1 3 294.738 3.070 20 10 CGCDHM [O-]c1c(F)cccc1CN[C@H](CF)c1ccc(F)cc1 ZINC001474676099 933665723 /nfs/dbraw/zinc/66/57/23/933665723.db2.gz WJGCDKVTWGEHPE-CQSZACIVSA-N -1 3 281.277 3.471 20 10 CGCDHM CN(C(=O)c1cccc(O)c1[O-])c1ccc(F)c(Cl)c1 ZINC001466491178 937709578 /nfs/dbraw/zinc/70/95/78/937709578.db2.gz HRKVYCGZFNHEEF-UHFFFAOYSA-N -1 3 295.697 3.167 20 10 CGCDHM CC(C)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC001558365620 938214845 /nfs/dbraw/zinc/21/48/45/938214845.db2.gz XLABOGWGAMRAER-HNNXBMFYSA-N -1 3 299.370 3.095 20 10 CGCDHM CC(C)(CCNC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC001564841936 960697093 /nfs/dbraw/zinc/69/70/93/960697093.db2.gz LFPAJYYOZRLKBN-UHFFFAOYSA-N -1 3 294.370 3.157 20 10 CGCDHM C[C@H]([NH2+][C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1[O-] ZINC001589123178 963345763 /nfs/dbraw/zinc/34/57/63/963345763.db2.gz JRPABNKOEKHIPO-IUIKQTSFSA-N -1 3 297.354 3.356 20 10 CGCDHM C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])CC(F)F ZINC001592707331 979188189 /nfs/dbraw/zinc/18/81/89/979188189.db2.gz ZDABFRRDGLVELZ-IUCAKERBSA-N -1 3 287.306 3.032 20 10 CGCDHM CCC1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CCC1 ZINC001595378872 980915649 /nfs/dbraw/zinc/91/56/49/980915649.db2.gz MQCJVYQGVVNCDS-LLVKDONJSA-N -1 3 277.364 3.321 20 10 CGCDHM Cc1cc(Cl)cc(CN(C)Cc2nccs2)c1[O-] ZINC000180371611 373994471 /nfs/dbraw/zinc/99/44/71/373994471.db2.gz MGVYLOVDHHHQDZ-UHFFFAOYSA-N -1 3 282.796 3.443 20 10 CGCDHM CO[C@H](C)c1nc(CN[C@H](C)c2ccccc2[O-])cs1 ZINC000271724904 378502979 /nfs/dbraw/zinc/50/29/79/378502979.db2.gz YPTFSSRWHGDZIK-GHMZBOCLSA-N -1 3 292.404 3.407 20 10 CGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccsc2)c1 ZINC000273409085 378746063 /nfs/dbraw/zinc/74/60/63/378746063.db2.gz PGAWREWCWVVLOV-JTQLQIEISA-N -1 3 291.372 3.091 20 10 CGCDHM C[C@@H](c1cccnc1)N(C)Cc1cccc(F)c1[O-] ZINC000273454401 378748918 /nfs/dbraw/zinc/74/89/18/378748918.db2.gz ZOGXMBVHMSOAGK-NSHDSACASA-N -1 3 260.312 3.119 20 10 CGCDHM COc1cc(Cl)cc(CN2CCC=C(F)C2)c1[O-] ZINC000274478453 378838757 /nfs/dbraw/zinc/83/87/57/378838757.db2.gz LTEZYTOBMKUUTM-UHFFFAOYSA-N -1 3 271.719 3.113 20 10 CGCDHM CN(Cc1cccc(Cl)c1)C(=O)c1cc([O-])cs1 ZINC000731864015 572429975 /nfs/dbraw/zinc/42/99/75/572429975.db2.gz LQKBMJNDYDZEHL-UHFFFAOYSA-N -1 3 281.764 3.379 20 10 CGCDHM [O-]c1ccccc1CN1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000376163431 379524990 /nfs/dbraw/zinc/52/49/90/379524990.db2.gz BIKPHHNYPRONRW-CQSZACIVSA-N -1 3 299.374 3.380 20 10 CGCDHM CC[C@H](Nc1c(C)nn(C)c1C)c1ccc(F)cc1[O-] ZINC000286149941 380167770 /nfs/dbraw/zinc/16/77/70/380167770.db2.gz OUESQUBQHSIXMM-ZDUSSCGKSA-N -1 3 277.343 3.445 20 10 CGCDHM C[C@H](N[C@H]1CCc2cccc([O-])c21)c1c(F)cncc1F ZINC000297350065 392568393 /nfs/dbraw/zinc/56/83/93/392568393.db2.gz PAISRGGRKTTYBY-ZANVPECISA-N -1 3 290.313 3.404 20 10 CGCDHM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc([O-])cs1 ZINC000743417803 572658013 /nfs/dbraw/zinc/65/80/13/572658013.db2.gz CYOVISJRCWQLEQ-JFGNBEQYSA-N -1 3 265.378 3.247 20 10 CGCDHM CC[C@@H]1CCCCCN1C(=O)c1cc([O-])cs1 ZINC000743811892 572685120 /nfs/dbraw/zinc/68/51/20/572685120.db2.gz HMYVFWZQYZWEMI-SNVBAGLBSA-N -1 3 253.367 3.249 20 10 CGCDHM COc1cccc2c1CCN(Cc1cccc(F)c1[O-])C2 ZINC000272963633 278029230 /nfs/dbraw/zinc/02/92/30/278029230.db2.gz QPDTYQUWOWNXEZ-UHFFFAOYSA-N -1 3 287.334 3.098 20 10 CGCDHM CCOc1ccc(CN[C@@H](C)c2ncccc2F)c([O-])c1 ZINC000527826856 330286671 /nfs/dbraw/zinc/28/66/71/330286671.db2.gz UUJTZFXTIUEVDK-NSHDSACASA-N -1 3 290.338 3.176 20 10 CGCDHM CCC(CC)N(CC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000292158481 521548982 /nfs/dbraw/zinc/54/89/82/521548982.db2.gz NLPYBSJREAPQQK-UHFFFAOYSA-N -1 3 265.353 3.057 20 10 CGCDHM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1cccnc1 ZINC000062745041 525661014 /nfs/dbraw/zinc/66/10/14/525661014.db2.gz NSVVVCZUSXBFMV-GHMZBOCLSA-N -1 3 260.312 3.338 20 10 CGCDHM [O-]c1c(F)cccc1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000290363272 526329051 /nfs/dbraw/zinc/32/90/51/526329051.db2.gz AAVCIAWGKHNISM-HOCLYGCPSA-N -1 3 291.366 3.065 20 10 CGCDHM [O-]c1ccc(-c2ccccc2)cc1CNCc1cocn1 ZINC000730819401 572377930 /nfs/dbraw/zinc/37/79/30/572377930.db2.gz VSOVVPFAKWJIEN-UHFFFAOYSA-N -1 3 280.327 3.337 20 10 CGCDHM CC[C@@H](CNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731864552 572430501 /nfs/dbraw/zinc/43/05/01/572430501.db2.gz WPGRJOYAXFGNTG-NSHDSACASA-N -1 3 275.373 3.377 20 10 CGCDHM Cc1cccc(CN(C)C(=O)c2cc([O-])cs2)c1 ZINC000732268322 572456095 /nfs/dbraw/zinc/45/60/95/572456095.db2.gz HTYAJSBNKFACBX-UHFFFAOYSA-N -1 3 261.346 3.034 20 10 CGCDHM Cc1ccccc1C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000732274818 572457359 /nfs/dbraw/zinc/45/73/59/572457359.db2.gz UHNXKPYVOSNJDW-LLVKDONJSA-N -1 3 275.373 3.123 20 10 CGCDHM Cc1cccc2c1OCC[C@H]2NC(=O)c1cc([O-])cs1 ZINC000732280804 572457885 /nfs/dbraw/zinc/45/78/85/572457885.db2.gz JCZUFFWLJUJXDU-GFCCVEGCSA-N -1 3 289.356 3.016 20 10 CGCDHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732286760 572458978 /nfs/dbraw/zinc/45/89/78/572458978.db2.gz JEBZCQPCYVSRAQ-MNOVXSKESA-N -1 3 267.394 3.398 20 10 CGCDHM [O-]c1ccc(-c2ccccc2)cc1CNCc1ccon1 ZINC000747622125 572937519 /nfs/dbraw/zinc/93/75/19/572937519.db2.gz KNAUZUPSUGAYIL-UHFFFAOYSA-N -1 3 280.327 3.337 20 10 CGCDHM CCCN(Cc1cc(F)cc(C(C)=O)c1[O-])CC(F)F ZINC000177272186 618812320 /nfs/dbraw/zinc/81/23/20/618812320.db2.gz NEVCPFHHCUJUBG-UHFFFAOYSA-N -1 3 289.297 3.211 20 10 CGCDHM CCc1ccccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000177667825 618834689 /nfs/dbraw/zinc/83/46/89/618834689.db2.gz YQHUJAPINYQDOT-UHFFFAOYSA-N -1 3 271.316 3.221 20 10 CGCDHM Cc1cc([O-])c(CN(C)[C@@H](C)C(=O)OC(C)C)c(Cl)c1 ZINC000840915874 619131442 /nfs/dbraw/zinc/13/14/42/619131442.db2.gz CNQMTRXLXHFIJO-NSHDSACASA-N -1 3 299.798 3.126 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000893867027 619324722 /nfs/dbraw/zinc/32/47/22/619324722.db2.gz SOGNZPOHFQEUGP-AWEZNQCLSA-N -1 3 278.302 3.336 20 10 CGCDHM Cc1ccc(CN(C)Cc2cc(F)cc(F)c2[O-])o1 ZINC000893894786 619330244 /nfs/dbraw/zinc/33/02/44/619330244.db2.gz FQWOEUXZCWKKIA-UHFFFAOYSA-N -1 3 267.275 3.204 20 10 CGCDHM CCOc1ccccc1CNCc1c([O-])cccc1F ZINC000896639103 620041485 /nfs/dbraw/zinc/04/14/85/620041485.db2.gz AJRUXOQFKHPRRG-UHFFFAOYSA-N -1 3 275.323 3.220 20 10 CGCDHM [O-]c1cccc(F)c1CNCc1nccc2c1CCCC2 ZINC000896641616 620042365 /nfs/dbraw/zinc/04/23/65/620042365.db2.gz NUEANWBQYZBGDC-UHFFFAOYSA-N -1 3 286.350 3.095 20 10 CGCDHM CCc1onc(C)c1CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000927140673 620600614 /nfs/dbraw/zinc/60/06/14/620600614.db2.gz SVKFMEFHOFEAQG-MRVPVSSYSA-N -1 3 296.317 3.380 20 10 CGCDHM C[C@@H](N[C@@H](c1ncccn1)C1CC1)c1ccc(F)cc1[O-] ZINC000903325940 621700464 /nfs/dbraw/zinc/70/04/64/621700464.db2.gz JIBDLIXCVOAVPN-MEBBXXQBSA-N -1 3 287.338 3.123 20 10 CGCDHM C[C@@H](NCc1ccccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756355591 625899114 /nfs/dbraw/zinc/89/91/14/625899114.db2.gz SSYFHILCRJGSEF-SNVBAGLBSA-N -1 3 290.294 3.290 20 10 CGCDHM C[C@@H](NCc1cn2ccsc2n1)c1ccc(F)cc1[O-] ZINC000756455426 626706870 /nfs/dbraw/zinc/70/68/70/626706870.db2.gz KSJMITIBKOSGDW-SECBINFHSA-N -1 3 291.351 3.091 20 10 CGCDHM COc1ccc(N[C@H](C)c2ccc(F)cc2[O-])nc1 ZINC000756843395 626737482 /nfs/dbraw/zinc/73/74/82/626737482.db2.gz DUNLHNXOEOHHIO-SECBINFHSA-N -1 3 262.284 3.108 20 10 CGCDHM O=C(N[C@@H](c1ccccc1)C1CCC1)c1cccc(O)c1[O-] ZINC000776348982 628195803 /nfs/dbraw/zinc/19/58/03/628195803.db2.gz FFQBEOJQFRANKC-INIZCTEOSA-N -1 3 297.354 3.369 20 10 CGCDHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1C ZINC000777629931 628289924 /nfs/dbraw/zinc/28/99/24/628289924.db2.gz SDEBFIFOMINELR-UHFFFAOYSA-N -1 3 291.372 3.064 20 10 CGCDHM CSCc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790681551 629225374 /nfs/dbraw/zinc/22/53/74/629225374.db2.gz XJNFUCYHWLIGCS-UHFFFAOYSA-N -1 3 289.356 3.213 20 10 CGCDHM CC1(C)C[C@H](NC(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000790897590 629240019 /nfs/dbraw/zinc/24/00/19/629240019.db2.gz OGTBHXXALFMOMW-AWEZNQCLSA-N -1 3 297.354 3.250 20 10 CGCDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](C2CC2)O1 ZINC000793219890 629430579 /nfs/dbraw/zinc/43/05/79/629430579.db2.gz PJMUCRVACHITAB-BONVTDFDSA-N -1 3 281.783 3.045 20 10 CGCDHM [O-]c1cccnc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000793258132 629436863 /nfs/dbraw/zinc/43/68/63/629436863.db2.gz HBABSQDBSDVCRB-UHFFFAOYSA-N -1 3 299.157 3.089 20 10 CGCDHM CCn1cc(CN(C)Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816512910 631997818 /nfs/dbraw/zinc/99/78/18/631997818.db2.gz ZFDPXFSBFAPGAX-UHFFFAOYSA-N -1 3 297.761 3.033 20 10 CGCDHM COC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])C(C)(C)C ZINC000825451148 633355374 /nfs/dbraw/zinc/35/53/74/633355374.db2.gz QQMVUOVHEPGJNW-CYBMUJFWSA-N -1 3 299.798 3.031 20 10 CGCDHM Cc1cc([O-])c(CN2CCc3ncsc3C2)cc1Cl ZINC000825634883 633369478 /nfs/dbraw/zinc/36/94/78/633369478.db2.gz SBGPKGRRFPLPCJ-UHFFFAOYSA-N -1 3 294.807 3.369 20 10 CGCDHM CC(C)OC(=O)[C@@H](N[C@@H](C)c1cc(F)ccc1[O-])C(C)C ZINC000834885900 634266611 /nfs/dbraw/zinc/26/66/11/634266611.db2.gz NMPJKPXUUFWDLF-NHYWBVRUSA-N -1 3 297.370 3.158 20 10 CGCDHM CCN(Cc1ccccn1)Cc1ccc(F)c(F)c1[O-] ZINC000876725449 634887165 /nfs/dbraw/zinc/88/71/65/634887165.db2.gz JJGMDLHCXAMDNB-UHFFFAOYSA-N -1 3 278.302 3.088 20 10 CGCDHM C[C@H](CCNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000126394059 635008088 /nfs/dbraw/zinc/00/80/88/635008088.db2.gz UZQKEDQBKXEKDF-GFCCVEGCSA-N -1 3 285.343 3.021 20 10 CGCDHM Cc1nccnc1[C@@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000877828471 635230715 /nfs/dbraw/zinc/23/07/15/635230715.db2.gz KOVGCNXIWWTTEI-SECBINFHSA-N -1 3 295.745 3.134 20 10 CGCDHM Cc1ccc2c(c1)[C@@H](NCc1cc(F)cc(F)c1[O-])CO2 ZINC000883046963 636519940 /nfs/dbraw/zinc/51/99/40/636519940.db2.gz DOJJHVDZCDJROO-AWEZNQCLSA-N -1 3 291.297 3.202 20 10 CGCDHM Cc1cnc(NCc2c([O-])cccc2Cl)s1 ZINC000134992014 637061867 /nfs/dbraw/zinc/06/18/67/637061867.db2.gz SZMVTQHRMQVERW-UHFFFAOYSA-N -1 3 254.742 3.423 20 10 CGCDHM C[C@@H](Nc1cnn(C)c1C1CC1)c1c([O-])cccc1F ZINC000886592411 637597232 /nfs/dbraw/zinc/59/72/32/637597232.db2.gz SGXKACOTYBIOAL-SECBINFHSA-N -1 3 275.327 3.315 20 10 CGCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2cscn2)c1[O-] ZINC000852417321 637648413 /nfs/dbraw/zinc/64/84/13/637648413.db2.gz KJIMXLPLGUBBOB-QMMMGPOBSA-N -1 3 294.351 3.041 20 10 CGCDHM C[C@H]1N(C(=O)c2cccc(O)c2[O-])c2ccccc2C1(C)C ZINC000855907096 638275772 /nfs/dbraw/zinc/27/57/72/638275772.db2.gz FWHFLLYOKUWLKP-LLVKDONJSA-N -1 3 297.354 3.424 20 10 CGCDHM CCC[C@](C)(CC)C(=O)NCc1c([O-])cccc1F ZINC000928707411 638889336 /nfs/dbraw/zinc/88/93/36/638889336.db2.gz DJHKECRTQMVHQW-HNNXBMFYSA-N -1 3 267.344 3.364 20 10 CGCDHM Cc1ccc(CCC(=O)NCc2c([O-])cccc2F)s1 ZINC000928705265 638889343 /nfs/dbraw/zinc/88/93/43/638889343.db2.gz FNSIKOWJOVZCFY-UHFFFAOYSA-N -1 3 293.363 3.150 20 10 CGCDHM CC[C@H](C)[C@@H](C)N(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000188423289 640136027 /nfs/dbraw/zinc/13/60/27/640136027.db2.gz CKIXLHLSWBOIHK-WDEREUQCSA-N -1 3 277.364 3.137 20 10 CGCDHM C[C@@H](NCc1cc(F)ccc1[O-])c1nc(C(C)(C)C)no1 ZINC000191568947 640318889 /nfs/dbraw/zinc/31/88/89/640318889.db2.gz QVWLYIDGIYFCSB-SECBINFHSA-N -1 3 293.342 3.063 20 10 CGCDHM C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000114428820 640996985 /nfs/dbraw/zinc/99/69/85/640996985.db2.gz XTNGMKYCGHEZCK-BDJLRTHQSA-N -1 3 297.354 3.151 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCCC(F)(F)C1 ZINC000404969941 799580316 /nfs/dbraw/zinc/58/03/16/799580316.db2.gz ZFVATZTZAPLCEL-UHFFFAOYSA-N -1 3 261.699 3.277 20 10 CGCDHM CC[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C)O1 ZINC000689165580 799762053 /nfs/dbraw/zinc/76/20/53/799762053.db2.gz BCRLDALSWDJFCI-MNOVXSKESA-N -1 3 269.772 3.045 20 10 CGCDHM CC(C)O[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000708423135 799988950 /nfs/dbraw/zinc/98/89/50/799988950.db2.gz PMFGAAKUDYSDEJ-CYBMUJFWSA-N -1 3 285.334 3.060 20 10 CGCDHM C[C@H]1CCCN1Cc1cc(Br)cc(F)c1[O-] ZINC000715704533 800144724 /nfs/dbraw/zinc/14/47/24/800144724.db2.gz XAEZZYVUBXQXFL-QMMMGPOBSA-N -1 3 288.160 3.278 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ccns1)c1c([O-])cccc1F ZINC000886643277 800545862 /nfs/dbraw/zinc/54/58/62/800545862.db2.gz PXHBGOJQTHTYGK-DTWKUNHWSA-N -1 3 266.341 3.400 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCC[C@H](F)C(F)(F)C1 ZINC001140057856 804365859 /nfs/dbraw/zinc/36/58/59/804365859.db2.gz PXNUGJQCDZXEHE-LBPRGKRZSA-N -1 3 277.261 3.101 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCC[C@H]1c1cnccn1 ZINC001140341224 804420730 /nfs/dbraw/zinc/42/07/30/804420730.db2.gz DZZYZNBTUGMTIW-AWEZNQCLSA-N -1 3 289.766 3.173 20 10 CGCDHM CC1(C)CCC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC001142301018 804714766 /nfs/dbraw/zinc/71/47/66/804714766.db2.gz JKAAZHNDJYMLOH-NSHDSACASA-N -1 3 277.364 3.044 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](C(F)(F)F)C1 ZINC001142524667 804731967 /nfs/dbraw/zinc/73/19/67/804731967.db2.gz GBHNGFSYLWJDNY-QMMMGPOBSA-N -1 3 281.224 3.055 20 10 CGCDHM [O-]c1c(F)c(F)ccc1Nc1ccncc1C(F)(F)F ZINC001249594723 805184942 /nfs/dbraw/zinc/18/49/42/805184942.db2.gz VTCBVHOWDRAAAL-UHFFFAOYSA-N -1 3 290.191 3.250 20 10 CGCDHM CC1(C)CCC[C@@H]1CCNC(=O)c1cccc(O)c1[O-] ZINC001148523819 805192813 /nfs/dbraw/zinc/19/28/13/805192813.db2.gz XMMKFIMMHOCFMU-LLVKDONJSA-N -1 3 277.364 3.044 20 10 CGCDHM COc1ccc(C2CC2)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001152782705 805368879 /nfs/dbraw/zinc/36/88/79/805368879.db2.gz PBUWEWDNOOETQB-UHFFFAOYSA-N -1 3 299.326 3.236 20 10 CGCDHM CN(c1ccc(N)cc1)c1c(F)ccc([O-])c1F ZINC001175269170 809334586 /nfs/dbraw/zinc/33/45/86/809334586.db2.gz FUXNVRDNZAOGRK-UHFFFAOYSA-N -1 3 250.248 3.021 20 10 CGCDHM Cc1coc(CNCc2cccc(Br)c2[O-])c1 ZINC001181464072 810054755 /nfs/dbraw/zinc/05/47/55/810054755.db2.gz IIVPJXYSDNIZAQ-UHFFFAOYSA-N -1 3 296.164 3.346 20 10 CGCDHM O=C1CCN(Cc2cc(Cl)ccc2[O-])[C@@H]2CCCC[C@@H]12 ZINC001203648149 812416040 /nfs/dbraw/zinc/41/60/40/812416040.db2.gz FCLWVJSRWISUNA-ZIAGYGMSSA-N -1 3 293.794 3.379 20 10 CGCDHM [O-]c1cc(Cl)ccc1CNc1ccc(F)nc1 ZINC001205129994 812880659 /nfs/dbraw/zinc/88/06/59/812880659.db2.gz GYOGAEPEAOWPAZ-UHFFFAOYSA-N -1 3 252.676 3.192 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC001231563246 818124756 /nfs/dbraw/zinc/12/47/56/818124756.db2.gz GSFUVLZAUGYLNR-INIZCTEOSA-N -1 3 297.354 3.428 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC001231563246 818124757 /nfs/dbraw/zinc/12/47/57/818124757.db2.gz GSFUVLZAUGYLNR-INIZCTEOSA-N -1 3 297.354 3.428 20 10 CGCDHM Cc1ncc2n1CCN(Cc1ccc3ccccc3c1[O-])C2 ZINC001231879645 818198709 /nfs/dbraw/zinc/19/87/09/818198709.db2.gz MBHYOKMNUYFWEG-UHFFFAOYSA-N -1 3 293.370 3.066 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCCC(F)(F)CC1 ZINC001233331739 818582587 /nfs/dbraw/zinc/58/25/87/818582587.db2.gz JERDIYZMAJZCRZ-UHFFFAOYSA-N -1 3 277.261 3.292 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCc2ccccc2C1 ZINC001233332065 818584794 /nfs/dbraw/zinc/58/47/94/818584794.db2.gz XFMUVCGBCCPMKX-UHFFFAOYSA-N -1 3 275.298 3.229 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CC2(C1)CCCC2 ZINC001233332849 818587004 /nfs/dbraw/zinc/58/70/04/818587004.db2.gz ZQEKQDXNHBCALK-UHFFFAOYSA-N -1 3 253.292 3.046 20 10 CGCDHM COC[C@H]1CCCCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237935835 819886867 /nfs/dbraw/zinc/88/68/67/819886867.db2.gz ZOWCEAHTYDSJNX-LLVKDONJSA-N -1 3 287.762 3.186 20 10 CGCDHM C[C@H]1C[C@@H](CF)N(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237935061 819890375 /nfs/dbraw/zinc/89/03/75/819890375.db2.gz PPEPKMDHIIWGMN-WPRPVWTQSA-N -1 3 275.726 3.365 20 10 CGCDHM C[C@H](C(=O)NCc1c([O-])cccc1F)c1cccc(F)c1 ZINC001303879322 932836019 /nfs/dbraw/zinc/83/60/19/932836019.db2.gz XYHIIYKQZBBKQF-JTQLQIEISA-N -1 3 291.297 3.090 20 10 CGCDHM Cc1ccc(NCc2cc(F)cc(F)c2[O-])c(N(C)C)n1 ZINC001308356549 933100212 /nfs/dbraw/zinc/10/02/12/933100212.db2.gz GKYIEEDFQSZQRD-UHFFFAOYSA-N -1 3 293.317 3.052 20 10 CGCDHM [O-]c1cc(Cl)ccc1CNCc1ncc(Cl)s1 ZINC001308926681 933206034 /nfs/dbraw/zinc/20/60/34/933206034.db2.gz ALUTUFKWWPFMTC-UHFFFAOYSA-N -1 3 289.187 3.445 20 10 CGCDHM CC(=O)Nc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])nc1 ZINC001320260159 934021633 /nfs/dbraw/zinc/02/16/33/934021633.db2.gz UASAKKSHGOSEIT-VIFPVBQESA-N -1 3 289.310 3.058 20 10 CGCDHM CCC[C@H]1CCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001471975719 937771159 /nfs/dbraw/zinc/77/11/59/937771159.db2.gz FAYAZZABJYHFTJ-RYUDHWBXSA-N -1 3 279.355 3.364 20 10 CGCDHM C[C@H]([C@H](C)C(=O)NCc1c([O-])cccc1F)C(C)(C)C ZINC001471975621 937771252 /nfs/dbraw/zinc/77/12/52/937771252.db2.gz ABKPHTKVXNBTBE-WDEREUQCSA-N -1 3 281.371 3.466 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CCOC[C@@H]1C1CCC1 ZINC001560900137 938282745 /nfs/dbraw/zinc/28/27/45/938282745.db2.gz LYRFDMPLQRJOIN-CQSZACIVSA-N -1 3 281.783 3.047 20 10 CGCDHM [O-]c1cccc(F)c1CNCc1ccnn1-c1ccccc1 ZINC001561015953 938289750 /nfs/dbraw/zinc/28/97/50/938289750.db2.gz LECWDYHYKCATIU-UHFFFAOYSA-N -1 3 297.333 3.007 20 10 CGCDHM Cc1ccc(C[NH2+][C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c([O-])c1 ZINC001594361455 958452671 /nfs/dbraw/zinc/45/26/71/958452671.db2.gz PUOIXXOUYDKNQG-JKSUJKDBSA-N -1 3 297.354 3.103 20 10 CGCDHM Cc1coc2ccc(NC(=O)c3cccc(O)c3[O-])cc12 ZINC001567812331 961431173 /nfs/dbraw/zinc/43/11/73/961431173.db2.gz SWKIABRCAWKYSM-UHFFFAOYSA-N -1 3 283.283 3.405 20 10 CGCDHM C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001592707330 979187797 /nfs/dbraw/zinc/18/77/97/979187797.db2.gz ZDABFRRDGLVELZ-DTWKUNHWSA-N -1 3 287.306 3.032 20 10 CGCDHM C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593224846 994342918 /nfs/dbraw/zinc/34/29/18/994342918.db2.gz RTZMHYUMHFRPJK-QMTHXVAHSA-N -1 3 277.364 3.320 20 10 CGCDHM C[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593240701 994430758 /nfs/dbraw/zinc/43/07/58/994430758.db2.gz RNXUWHTVKRBSDK-GHMZBOCLSA-N -1 3 279.380 3.423 20 10 CGCDHM CN(CCF)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000293778000 372479353 /nfs/dbraw/zinc/47/93/53/372479353.db2.gz YZLXWQWUSMFQJV-UHFFFAOYSA-N -1 3 289.350 3.373 20 10 CGCDHM CCn1ccnc1CN[C@H](C)c1cc(Cl)ccc1[O-] ZINC000296641020 373202854 /nfs/dbraw/zinc/20/28/54/373202854.db2.gz YCIKMQTZNPGDFF-SNVBAGLBSA-N -1 3 279.771 3.113 20 10 CGCDHM Cc1ccc(C(=O)N(CC2CC2)c2ccccc2)c([O-])c1O ZINC000179541140 373882677 /nfs/dbraw/zinc/88/26/77/373882677.db2.gz GEOHXFXVWUQTLU-UHFFFAOYSA-N -1 3 297.354 3.463 20 10 CGCDHM COC(=O)[C@@H](NCc1ccccc1[O-])c1cc(C)cc(C)c1 ZINC000189624107 375425977 /nfs/dbraw/zinc/42/59/77/375425977.db2.gz QKCAEKYONPPEHH-KRWDZBQOSA-N -1 3 299.370 3.013 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(F)c(F)c1[O-] ZINC000191182088 375590282 /nfs/dbraw/zinc/59/02/82/375590282.db2.gz NCMUZADMLSWBJC-ZJUUUORDSA-N -1 3 278.302 3.477 20 10 CGCDHM COCC[C@H](NCc1cccc(F)c1[O-])c1ccc(C)o1 ZINC000272667250 378686097 /nfs/dbraw/zinc/68/60/97/378686097.db2.gz SJDBVRNRPGPNIV-AWEZNQCLSA-N -1 3 293.338 3.300 20 10 CGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(C)nc2)c1 ZINC000273470903 378748840 /nfs/dbraw/zinc/74/88/40/378748840.db2.gz JUEWRSLHKMRZTN-LLVKDONJSA-N -1 3 286.331 3.055 20 10 CGCDHM CC[C@H](Nc1cnn(CC)c1)c1ccc(F)cc1[O-] ZINC000286172557 380170790 /nfs/dbraw/zinc/17/07/90/380170790.db2.gz PYHVGVCICMFHHP-ZDUSSCGKSA-N -1 3 263.316 3.311 20 10 CGCDHM CCc1ccc(CNC(=O)c2cc([O-])cs2)s1 ZINC000732270878 572456165 /nfs/dbraw/zinc/45/61/65/572456165.db2.gz WNSGKXLFFPTSSN-UHFFFAOYSA-N -1 3 267.375 3.008 20 10 CGCDHM [O-]c1ccccc1CN1CCO[C@H](c2ccccc2F)C1 ZINC000179568638 392703974 /nfs/dbraw/zinc/70/39/74/392703974.db2.gz BLGQEIOCQQWUBM-KRWDZBQOSA-N -1 3 287.334 3.105 20 10 CGCDHM Cc1ccc(C(=O)N(C)C2CCC(C)CC2)c([O-])c1O ZINC000179413717 261784779 /nfs/dbraw/zinc/78/47/79/261784779.db2.gz PIRDFKLYDZQKHI-UHFFFAOYSA-N -1 3 277.364 3.057 20 10 CGCDHM CN(Cc1ccc(C(F)(F)F)cn1)Cc1ccccc1[O-] ZINC000277842991 523215548 /nfs/dbraw/zinc/21/55/48/523215548.db2.gz WZPZXBCMVDYYLY-UHFFFAOYSA-N -1 3 296.292 3.438 20 10 CGCDHM C[C@H](N[C@H]1COc2cc(F)cc(F)c21)c1ccccc1[O-] ZINC000368212321 525634381 /nfs/dbraw/zinc/63/43/81/525634381.db2.gz MPNXHFGSNOEYDK-ZANVPECISA-N -1 3 291.297 3.455 20 10 CGCDHM [O-]c1ccc(F)cc1CN(Cc1cccnc1)C1CC1 ZINC000290293029 526346705 /nfs/dbraw/zinc/34/67/05/526346705.db2.gz ANNVUZHYLLHDOS-UHFFFAOYSA-N -1 3 272.323 3.091 20 10 CGCDHM Cc1ccc(C[C@H](C)N(C)C(=O)c2cc([O-])cs2)cc1 ZINC000738545946 572378680 /nfs/dbraw/zinc/37/86/80/572378680.db2.gz WHRSJMWEKZLMCA-LBPRGKRZSA-N -1 3 289.400 3.465 20 10 CGCDHM CC(C)c1nc(CCNC(=O)c2cc([O-])cs2)cs1 ZINC000732282064 572458196 /nfs/dbraw/zinc/45/81/96/572458196.db2.gz IYJRJOFNQUUQDZ-UHFFFAOYSA-N -1 3 296.417 3.006 20 10 CGCDHM CC[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000740932352 572469378 /nfs/dbraw/zinc/46/93/78/572469378.db2.gz HTZAGBAYBVXDAA-ZJUUUORDSA-N -1 3 253.367 3.152 20 10 CGCDHM CCS[C@H]1CCCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732579813 572472355 /nfs/dbraw/zinc/47/23/55/572472355.db2.gz MIDRYUXZTPJOMZ-NSHDSACASA-N -1 3 285.434 3.202 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ccc(Br)cc1[O-])C(F)F ZINC000883399770 619995840 /nfs/dbraw/zinc/99/58/40/619995840.db2.gz UZCGPHYMNYQXTF-NKWVEPMBSA-N -1 3 294.139 3.459 20 10 CGCDHM COC[C@H](N[C@H](C)c1ccc(F)cc1[O-])c1ccc(C)o1 ZINC000185630326 625399951 /nfs/dbraw/zinc/39/99/51/625399951.db2.gz HTXXKEHXHOIZLN-RISCZKNCSA-N -1 3 293.338 3.471 20 10 CGCDHM Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2c([O-])cccc2F)c1 ZINC000928709437 620208227 /nfs/dbraw/zinc/20/82/27/620208227.db2.gz IIAHXVRTMRQMCF-UONOGXRCSA-N -1 3 299.345 3.260 20 10 CGCDHM O=C([O-])[C@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000874046958 634509532 /nfs/dbraw/zinc/50/95/32/634509532.db2.gz NOJDYQZJGRVNGK-FZNQNYSPSA-N -1 3 297.354 3.012 20 10 CGCDHM Cc1nc(CN[C@H](C)c2cc(F)cc(F)c2[O-])cs1 ZINC000756434182 626705553 /nfs/dbraw/zinc/70/55/53/626705553.db2.gz JFDCHQBSIQFNLW-SSDOTTSWSA-N -1 3 284.331 3.286 20 10 CGCDHM COCC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775681673 628124965 /nfs/dbraw/zinc/12/49/65/628124965.db2.gz QPBFQOJKWQNDNL-UHFFFAOYSA-N -1 3 287.762 3.043 20 10 CGCDHM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cccc(O)c1[O-] ZINC000790486688 629213224 /nfs/dbraw/zinc/21/32/24/629213224.db2.gz YVALBJFKUHZSPI-JHJVBQTASA-N -1 3 289.375 3.187 20 10 CGCDHM CCO[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792161843 629342852 /nfs/dbraw/zinc/34/28/52/629342852.db2.gz JVYPHYHJIFYEFJ-JTQLQIEISA-N -1 3 287.762 3.186 20 10 CGCDHM CCN(Cc1c([O-])ccc(Cl)c1F)C[C@H]1CCCO1 ZINC000792167456 629343290 /nfs/dbraw/zinc/34/32/90/629343290.db2.gz TVPDMEOAYRSTEB-SNVBAGLBSA-N -1 3 287.762 3.186 20 10 CGCDHM Cc1ccncc1CN(C)Cc1c([O-])cccc1Cl ZINC000793337341 629445238 /nfs/dbraw/zinc/44/52/38/629445238.db2.gz PELYAYJIEZGHRZ-UHFFFAOYSA-N -1 3 276.767 3.381 20 10 CGCDHM CN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)ccc1[O-] ZINC000015250001 629892215 /nfs/dbraw/zinc/89/22/15/629892215.db2.gz ZFIPGTOVSVMMPM-AWEZNQCLSA-N -1 3 288.734 3.242 20 10 CGCDHM COC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000127247906 635585713 /nfs/dbraw/zinc/58/57/13/635585713.db2.gz DQGBOJFJOWKWFK-UHFFFAOYSA-N -1 3 291.734 3.444 20 10 CGCDHM COc1ccc2c(c1)CCN2Cc1ccc([O-])c(F)c1 ZINC000813334504 631412791 /nfs/dbraw/zinc/41/27/91/631412791.db2.gz MZSODPFBIUXABM-UHFFFAOYSA-N -1 3 273.307 3.103 20 10 CGCDHM CN(Cc1cccn1C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816513922 631997737 /nfs/dbraw/zinc/99/77/37/631997737.db2.gz HAADSNGCBAWNAK-UHFFFAOYSA-N -1 3 282.746 3.155 20 10 CGCDHM [O-]c1c(CN2CCC(F)(F)C2)ccc2ccccc21 ZINC000816560510 632013659 /nfs/dbraw/zinc/01/36/59/632013659.db2.gz QPVGNPJWMPMFEC-UHFFFAOYSA-N -1 3 263.287 3.386 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCOCC2(CCC2)C1 ZINC000816569409 632015667 /nfs/dbraw/zinc/01/56/67/632015667.db2.gz KMUYTKUCFXGEAH-UHFFFAOYSA-N -1 3 299.773 3.187 20 10 CGCDHM C[C@@H]1CC[C@@H](O)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000817414852 632145180 /nfs/dbraw/zinc/14/51/80/632145180.db2.gz PFJQJKBHNKQYJI-LDYMZIIASA-N -1 3 290.190 3.044 20 10 CGCDHM C[C@@H](Nc1cnn2c1CCCC2)c1ccc(F)cc1[O-] ZINC000866459773 633144753 /nfs/dbraw/zinc/14/47/53/633144753.db2.gz BDQNBAVGJFNJBN-SNVBAGLBSA-N -1 3 275.327 3.237 20 10 CGCDHM CCn1ccnc1[C@@H](C)NCc1cccc(Cl)c1[O-] ZINC000825005585 633316415 /nfs/dbraw/zinc/31/64/15/633316415.db2.gz PPOMJCNXLJITKS-SNVBAGLBSA-N -1 3 279.771 3.113 20 10 CGCDHM C[C@H]1C[C@@H](NCc2cc(Cl)c(F)cc2[O-])c2nccn21 ZINC000825017702 633318729 /nfs/dbraw/zinc/31/87/29/633318729.db2.gz XOQVEXOETHSHIR-QPUJVOFHSA-N -1 3 295.745 3.177 20 10 CGCDHM C[C@H]1C[C@@H](NCc2c([O-])ccc(Cl)c2F)c2nccn21 ZINC000825017475 633318940 /nfs/dbraw/zinc/31/89/40/633318940.db2.gz SLISGXKKROZXJU-GZMMTYOYSA-N -1 3 295.745 3.177 20 10 CGCDHM Cc1nnc(CN(C)Cc2c([O-])cc(C)cc2Cl)s1 ZINC000827804856 633519224 /nfs/dbraw/zinc/51/92/24/633519224.db2.gz BLCKVYKIOCZFPK-UHFFFAOYSA-N -1 3 297.811 3.146 20 10 CGCDHM CC(C)Nc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000871846395 633892616 /nfs/dbraw/zinc/89/26/16/633892616.db2.gz ZHKTYZZSCGLFMS-UHFFFAOYSA-N -1 3 298.390 3.492 20 10 CGCDHM CC[C@@H](NCc1ncccc1OC)c1ccc(F)cc1[O-] ZINC000834905683 634281881 /nfs/dbraw/zinc/28/18/81/634281881.db2.gz JTWHNKCMGXYFFX-CYBMUJFWSA-N -1 3 290.338 3.176 20 10 CGCDHM CC[C@@H](N[C@H](C)c1ccn(C)n1)c1ccc(F)cc1[O-] ZINC000840816676 635057897 /nfs/dbraw/zinc/05/78/97/635057897.db2.gz XHPHARVPFZFABH-ZWNOBZJWSA-N -1 3 277.343 3.067 20 10 CGCDHM Cc1cc([O-])c(CN2CCC=C(F)C2)c(Cl)c1 ZINC000840936500 635085960 /nfs/dbraw/zinc/08/59/60/635085960.db2.gz KGUUGZUFHZPCBQ-UHFFFAOYSA-N -1 3 255.720 3.413 20 10 CGCDHM Cc1ccc2c(c1)C(=O)N[C@@H](c1cc(Cl)ccc1[O-])N2 ZINC000877864990 635246245 /nfs/dbraw/zinc/24/62/45/635246245.db2.gz VLDHYGWDFHXBCD-AWEZNQCLSA-N -1 3 288.734 3.208 20 10 CGCDHM CNC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000127263386 635594399 /nfs/dbraw/zinc/59/43/99/635594399.db2.gz TZWNICDARKJXFK-UHFFFAOYSA-N -1 3 290.750 3.017 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@]2(CC2(F)F)C1 ZINC000846116848 636146598 /nfs/dbraw/zinc/14/65/98/636146598.db2.gz LNHUUWVAEABUQU-GFCCVEGCSA-N -1 3 291.700 3.416 20 10 CGCDHM C[C@H]1Oc2ccccc2[C@H]1NCc1cc(F)cc(F)c1[O-] ZINC000883121727 636547214 /nfs/dbraw/zinc/54/72/14/636547214.db2.gz QJYLGSUCDZLHFT-PSLIRLAXSA-N -1 3 291.297 3.282 20 10 CGCDHM CC[C@@H]1CO[C@H](C)CN1Cc1cc(Cl)ccc1[O-] ZINC000131482146 636666588 /nfs/dbraw/zinc/66/65/88/636666588.db2.gz MEBLWDZYHGNHGP-ZWNOBZJWSA-N -1 3 269.772 3.045 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCOc2ccccc2C1 ZINC000134098011 636998169 /nfs/dbraw/zinc/99/81/69/636998169.db2.gz XBYAGRZWBNQQEN-UHFFFAOYSA-N -1 3 289.762 3.440 20 10 CGCDHM CCc1nc(CN[C@@H](C)c2c([O-])cccc2F)cs1 ZINC000886525056 637552583 /nfs/dbraw/zinc/55/25/83/637552583.db2.gz WKVNGESALPJMGZ-VIFPVBQESA-N -1 3 280.368 3.401 20 10 CGCDHM Cc1cnc(CN[C@H](C)c2c([O-])cccc2F)s1 ZINC000886532448 637558417 /nfs/dbraw/zinc/55/84/17/637558417.db2.gz JFBYFKSQECYILK-SECBINFHSA-N -1 3 266.341 3.147 20 10 CGCDHM C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1c([O-])cccc1F ZINC000886620093 637613106 /nfs/dbraw/zinc/61/31/06/637613106.db2.gz BPKPMEHZIGBKQT-SCVCMEIPSA-N -1 3 275.327 3.084 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](C2CCCCC2)C1 ZINC000855637315 638227130 /nfs/dbraw/zinc/22/71/30/638227130.db2.gz XZOIGNIUJXLCLH-ZDUSSCGKSA-N -1 3 289.375 3.140 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1CC1CCC1 ZINC000856271728 638331510 /nfs/dbraw/zinc/33/15/10/638331510.db2.gz LQJNDGSGVADRTA-ZDUSSCGKSA-N -1 3 289.375 3.283 20 10 CGCDHM CC[C@H](NCc1c([O-])cccc1Br)C(F)F ZINC000858171334 638649930 /nfs/dbraw/zinc/64/99/30/638649930.db2.gz VEOWRIOFJKWUIG-VIFPVBQESA-N -1 3 294.139 3.288 20 10 CGCDHM CCc1cc(NC(=O)c2cccc(O)c2[O-])ccc1F ZINC000690121591 799773138 /nfs/dbraw/zinc/77/31/38/799773138.db2.gz MAWVSYBODVOIMW-UHFFFAOYSA-N -1 3 275.279 3.052 20 10 CGCDHM [O-]c1c(Cl)cccc1CNCc1nc2c(s1)CCC2 ZINC000719536720 800241184 /nfs/dbraw/zinc/24/11/84/800241184.db2.gz DXYZGGPJVUQIKL-UHFFFAOYSA-N -1 3 294.807 3.281 20 10 CGCDHM Cc1ccc(-c2nnc(-c3cc(O)c([O-])c(O)c3)o2)cc1C ZINC001256531922 806910816 /nfs/dbraw/zinc/91/08/16/806910816.db2.gz VOUQCQYTMVXJRQ-UHFFFAOYSA-N -1 3 298.298 3.137 20 10 CGCDHM Cc1cccc2c1CN(Cc1cccc(F)c1[O-])C2 ZINC001138122616 803862251 /nfs/dbraw/zinc/86/22/51/803862251.db2.gz PYHWJRWBESSECF-UHFFFAOYSA-N -1 3 257.308 3.356 20 10 CGCDHM [O-]c1cc(F)cc(F)c1CN1CCCCC12CC2 ZINC001140584586 804468756 /nfs/dbraw/zinc/46/87/56/804468756.db2.gz XSVZBCDZQMJDBQ-UHFFFAOYSA-N -1 3 253.292 3.189 20 10 CGCDHM CN(Cc1cccc(F)c1)Cc1cc(F)c(F)cc1[O-] ZINC001142509043 804727953 /nfs/dbraw/zinc/72/79/53/804727953.db2.gz UZAFHEAKONRFJD-UHFFFAOYSA-N -1 3 281.277 3.442 20 10 CGCDHM [O-]c1cc(Nc2cccc(O)c2O)ccc1Cl ZINC001212592467 815079475 /nfs/dbraw/zinc/07/94/75/815079475.db2.gz RKUHHKQNMCNTEV-UHFFFAOYSA-N -1 3 251.669 3.200 20 10 CGCDHM CN(c1ccc(N)cc1)c1cc(F)c([O-])c(F)c1 ZINC001213386595 815274633 /nfs/dbraw/zinc/27/46/33/815274633.db2.gz KQRNETCWEWOUAW-UHFFFAOYSA-N -1 3 250.248 3.021 20 10 CGCDHM CC[C@@H]1CO[C@@H](C)CN1Cc1cc(Cl)c(C)cc1[O-] ZINC001180531764 810009431 /nfs/dbraw/zinc/00/94/31/810009431.db2.gz JQJXVFLBBDGIFR-WCQYABFASA-N -1 3 283.799 3.353 20 10 CGCDHM Cc1ccncc1CNCc1c([O-])ccc(Cl)c1F ZINC001202514340 812112688 /nfs/dbraw/zinc/11/26/88/812112688.db2.gz WUHBVVJZNGCTJD-UHFFFAOYSA-N -1 3 280.730 3.178 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CC2(C1)C[C@H](F)CS2 ZINC001203664181 812422010 /nfs/dbraw/zinc/42/20/10/812422010.db2.gz PXYNIRVZHYDCMN-NSHDSACASA-N -1 3 287.787 3.075 20 10 CGCDHM CC[C@H]1CCCC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC001222526977 816461923 /nfs/dbraw/zinc/46/19/23/816461923.db2.gz IJNSOYBUBDXKJC-FZMZJTMJSA-N -1 3 294.370 3.299 20 10 CGCDHM Cc1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc1 ZINC001231451678 818103281 /nfs/dbraw/zinc/10/32/81/818103281.db2.gz PLTOKFXFCMIKGL-UHFFFAOYSA-N -1 3 285.343 3.031 20 10 CGCDHM Cc1ccc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc1 ZINC001231451678 818103284 /nfs/dbraw/zinc/10/32/84/818103284.db2.gz PLTOKFXFCMIKGL-UHFFFAOYSA-N -1 3 285.343 3.031 20 10 CGCDHM C[C@@H]1CCN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233027854 818505457 /nfs/dbraw/zinc/50/54/57/818505457.db2.gz FFCNHNVXNUGOLD-MRVPVSSYSA-N -1 3 288.160 3.136 20 10 CGCDHM C[C@H]1CN(Cc2c([O-])ccc(F)c2F)CCC1(F)F ZINC001233332265 818584954 /nfs/dbraw/zinc/58/49/54/818584954.db2.gz FJWFCCQFNVYDDJ-QMMMGPOBSA-N -1 3 277.261 3.148 20 10 CGCDHM CO[C@@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236792557 819598162 /nfs/dbraw/zinc/59/81/62/819598162.db2.gz FCNNHMCNNKJXKE-SNVBAGLBSA-N -1 3 290.190 3.310 20 10 CGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001236800035 819599646 /nfs/dbraw/zinc/59/96/46/819599646.db2.gz SFAQOWYDCZUAHE-OWUUHHOZSA-N -1 3 290.165 3.346 20 10 CGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCCC[C@@H](O)C1 ZINC001237077379 819659851 /nfs/dbraw/zinc/65/98/51/819659851.db2.gz GRTMLHWCMDRTEE-SECBINFHSA-N -1 3 290.190 3.046 20 10 CGCDHM CC[C@@H]1COC(C)(C)CN1Cc1cc(F)c(F)cc1[O-] ZINC001462417169 937639429 /nfs/dbraw/zinc/63/94/29/937639429.db2.gz YVDWNQXFWOOAOQ-LLVKDONJSA-N -1 3 285.334 3.060 20 10 CGCDHM C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1cnccn1 ZINC001308802120 933179713 /nfs/dbraw/zinc/17/97/13/933179713.db2.gz MVVNUFIEWWUOSV-QMMMGPOBSA-N -1 3 298.173 3.340 20 10 CGCDHM Cc1ccc(C(=O)Nc2nccc3ccccc32)c([O-])c1O ZINC001556599446 938204692 /nfs/dbraw/zinc/20/46/92/938204692.db2.gz WYAFLNSZGODPSP-UHFFFAOYSA-N -1 3 294.310 3.207 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1cc2ccsc2[nH]1 ZINC001558454212 938215489 /nfs/dbraw/zinc/21/54/89/938215489.db2.gz BOTVVSVXVAVPIH-UHFFFAOYSA-N -1 3 290.319 3.004 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1cccc2ccncc21 ZINC001558455464 938215534 /nfs/dbraw/zinc/21/55/34/938215534.db2.gz UQFLGGIRGZSLHX-UHFFFAOYSA-N -1 3 296.301 3.010 20 10 CGCDHM Cn1c2ccccc2nc1NCc1cccc(F)c1[O-] ZINC001561057913 938292755 /nfs/dbraw/zinc/29/27/55/938292755.db2.gz ADELMTVTVXOIEP-UHFFFAOYSA-N -1 3 271.295 3.030 20 10 CGCDHM C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265892 994576739 /nfs/dbraw/zinc/57/67/39/994576739.db2.gz ZTKIOGSAPYEIAI-SECBINFHSA-N -1 3 299.317 3.176 20 10 CGCDHM Cc1ccc(C(=O)N2CCC[C@H]2C2CCCC2)c([O-])c1O ZINC000179445270 346253445 /nfs/dbraw/zinc/25/34/45/346253445.db2.gz ZWGBHIRKEWQLPY-AWEZNQCLSA-N -1 3 289.375 3.201 20 10 CGCDHM C[C@@H](N[C@H](CCO)c1ccco1)c1ccc(F)c(F)c1[O-] ZINC000187923438 296159425 /nfs/dbraw/zinc/15/94/25/296159425.db2.gz CVDXBAFYZRLIPA-BXKDBHETSA-N -1 3 297.301 3.038 20 10 CGCDHM CCc1noc(C)c1CNCc1cccc(Cl)c1[O-] ZINC000293621539 372427660 /nfs/dbraw/zinc/42/76/60/372427660.db2.gz KRLKSEAVNFQEMM-UHFFFAOYSA-N -1 3 280.755 3.194 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CCC(CF)CC1 ZINC000294955344 372682070 /nfs/dbraw/zinc/68/20/70/372682070.db2.gz DKVOCUQRGQYFLR-UHFFFAOYSA-N -1 3 257.736 3.227 20 10 CGCDHM COC[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295415651 372771606 /nfs/dbraw/zinc/77/16/06/372771606.db2.gz RWOCHSZNWGMPOJ-SNVBAGLBSA-N -1 3 287.762 3.043 20 10 CGCDHM C[C@@H](c1ccco1)N(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000188263997 375186501 /nfs/dbraw/zinc/18/65/01/375186501.db2.gz RVUCEVUYFLIXCP-JTQLQIEISA-N -1 3 287.315 3.057 20 10 CGCDHM CC(C)c1nocc1C(=O)NCc1cc(Cl)ccc1[O-] ZINC000529513516 375926858 /nfs/dbraw/zinc/92/68/58/375926858.db2.gz RYGXYJCUGSTKOK-UHFFFAOYSA-N -1 3 294.738 3.087 20 10 CGCDHM CCC1(C)CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000272718642 378693564 /nfs/dbraw/zinc/69/35/64/378693564.db2.gz DUUHVZGSNZPYCW-UHFFFAOYSA-N -1 3 277.364 3.059 20 10 CGCDHM CC(C)(CNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731868502 572434361 /nfs/dbraw/zinc/43/43/61/572434361.db2.gz HAXBXALFXWPESK-UHFFFAOYSA-N -1 3 275.373 3.161 20 10 CGCDHM Cc1ccc(C(=O)N(C)[C@@H](C)c2cccs2)c([O-])c1O ZINC000179435614 392701672 /nfs/dbraw/zinc/70/16/72/392701672.db2.gz HIGBHKIOFDOGFR-JTQLQIEISA-N -1 3 291.372 3.301 20 10 CGCDHM C[C@H](CNC(=O)c1cc([O-])cs1)Cc1cccs1 ZINC000743657005 572677214 /nfs/dbraw/zinc/67/72/14/572677214.db2.gz XWCRHJOAQAHGPK-VIFPVBQESA-N -1 3 281.402 3.124 20 10 CGCDHM Cc1ccc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)c([O-])c1O ZINC000180528754 261864443 /nfs/dbraw/zinc/86/44/43/261864443.db2.gz WYJRNCDRQZXPKF-SCRDCRAPSA-N -1 3 289.375 3.057 20 10 CGCDHM CCc1noc(CC)c1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000185678475 262066164 /nfs/dbraw/zinc/06/61/64/262066164.db2.gz ZPVPZTWXAKJAJU-JTQLQIEISA-N -1 3 292.354 3.495 20 10 CGCDHM CN(Cc1ccccc1Cl)C(=O)c1cc([O-])cs1 ZINC000731863686 572430233 /nfs/dbraw/zinc/43/02/33/572430233.db2.gz BLBJCBJTWKQSEF-UHFFFAOYSA-N -1 3 281.764 3.379 20 10 CGCDHM C[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cs2)[C@H]1C ZINC000732260470 572455168 /nfs/dbraw/zinc/45/51/68/572455168.db2.gz UJEJVHLTRRXYKY-YWVKMMECSA-N -1 3 253.367 3.008 20 10 CGCDHM CN(Cc1ccc(F)c(F)c1)C(=O)c1cc([O-])cs1 ZINC000732269375 572455871 /nfs/dbraw/zinc/45/58/71/572455871.db2.gz VEOFKPGJUSSSDK-UHFFFAOYSA-N -1 3 283.299 3.004 20 10 CGCDHM O=C(Nc1ccc(-c2c[nH]cn2)cc1)c1cc([O-])cs1 ZINC000732258105 572457926 /nfs/dbraw/zinc/45/79/26/572457926.db2.gz MWGRXNVQCUDSML-UHFFFAOYSA-N -1 3 285.328 3.096 20 10 CGCDHM C[C@@H]1CCCC[C@H]1OCCOC(=O)c1cc([O-])cs1 ZINC000732353992 572461474 /nfs/dbraw/zinc/46/14/74/572461474.db2.gz XTMFCYXEZYTFKI-ZYHUDNBSSA-N -1 3 284.377 3.206 20 10 CGCDHM Cc1ccc(C(=O)Nc2cccc3cccnc32)c([O-])c1O ZINC000179391068 618780409 /nfs/dbraw/zinc/78/04/09/618780409.db2.gz RYJKWXYGUFGMQX-UHFFFAOYSA-N -1 3 294.310 3.207 20 10 CGCDHM C[C@@H](Nc1cccc(CCO)c1)c1ccc(F)cc1[O-] ZINC000313146423 619163726 /nfs/dbraw/zinc/16/37/26/619163726.db2.gz UAOXOYZIFFUMKS-LLVKDONJSA-N -1 3 275.323 3.239 20 10 CGCDHM C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894600705 619583542 /nfs/dbraw/zinc/58/35/42/619583542.db2.gz KTRUIVLYUFTVMT-XVKPBYJWSA-N -1 3 295.251 3.443 20 10 CGCDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@H](C)C1(F)F ZINC000895387752 619818720 /nfs/dbraw/zinc/81/87/20/619818720.db2.gz FDXRCWJTWJQPIY-DTORHVGOSA-N -1 3 291.288 3.394 20 10 CGCDHM CC(C)n1ccc(CN[C@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756595407 626719012 /nfs/dbraw/zinc/71/90/12/626719012.db2.gz SSRISWGLSKUFRP-SNVBAGLBSA-N -1 3 295.333 3.299 20 10 CGCDHM CN(Cc1cccnc1)Cc1c([O-])cccc1Cl ZINC000780890787 628522176 /nfs/dbraw/zinc/52/21/76/628522176.db2.gz JIQOZGLPQSDCGF-UHFFFAOYSA-N -1 3 262.740 3.073 20 10 CGCDHM Cc1ccc(C(=O)N2CC(C)(C)c3ccccc32)c([O-])c1O ZINC000780967146 628526977 /nfs/dbraw/zinc/52/69/77/628526977.db2.gz QEBCYVYKCDWMMZ-UHFFFAOYSA-N -1 3 297.354 3.344 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCCCc2sccc21 ZINC000798046280 630017978 /nfs/dbraw/zinc/01/79/78/630017978.db2.gz BBVNSENIKPGACL-UHFFFAOYSA-N -1 3 289.356 3.142 20 10 CGCDHM C[C@H](NCc1cccc(F)c1[O-])c1c(F)cncc1F ZINC000809716482 630790180 /nfs/dbraw/zinc/79/01/80/630790180.db2.gz PBODJRUJJQEZBX-QMMMGPOBSA-N -1 3 282.265 3.055 20 10 CGCDHM Cn1cccc1[C@H]1CCCN1Cc1ccc(F)c(F)c1[O-] ZINC000876545160 634854272 /nfs/dbraw/zinc/85/42/72/634854272.db2.gz BQRBSXNCBOOEHX-CQSZACIVSA-N -1 3 292.329 3.346 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CNc1ccc2[nH]nnc2c1 ZINC000816557182 632011106 /nfs/dbraw/zinc/01/11/06/632011106.db2.gz HBJRUCBRAYORNZ-UHFFFAOYSA-N -1 3 292.701 3.068 20 10 CGCDHM CC[C@H](NCc1cc(Br)ccc1[O-])C(F)F ZINC000824508177 633251212 /nfs/dbraw/zinc/25/12/12/633251212.db2.gz BGCGDNQTFQSLRJ-VIFPVBQESA-N -1 3 294.139 3.288 20 10 CGCDHM C[C@H]1Oc2ccccc2[C@@H]1NCc1ccc(F)c(F)c1[O-] ZINC000877536547 635077188 /nfs/dbraw/zinc/07/71/88/635077188.db2.gz ULYSJRCMQGZUIM-RFAUZJTJSA-N -1 3 291.297 3.282 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@@H]1C1CCC1 ZINC000843428865 635673383 /nfs/dbraw/zinc/67/33/83/635673383.db2.gz OCAKRNSCZPJZSH-CQSZACIVSA-N -1 3 281.783 3.047 20 10 CGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)CC2(CCC2)O1 ZINC000843432720 635675010 /nfs/dbraw/zinc/67/50/10/635675010.db2.gz OIZNJUYIADMNIU-LLVKDONJSA-N -1 3 281.783 3.189 20 10 CGCDHM CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000844939171 635988864 /nfs/dbraw/zinc/98/88/64/635988864.db2.gz ZUMULYOYZFUCKZ-MRXNPFEDSA-N -1 3 299.370 3.354 20 10 CGCDHM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000844939171 635988868 /nfs/dbraw/zinc/98/88/68/635988868.db2.gz ZUMULYOYZFUCKZ-MRXNPFEDSA-N -1 3 299.370 3.354 20 10 CGCDHM CC(C)n1ccc(CN[C@H](C)c2c([O-])cccc2F)n1 ZINC000886530498 637556251 /nfs/dbraw/zinc/55/62/51/637556251.db2.gz LNQIBCJGMYNFFZ-LLVKDONJSA-N -1 3 277.343 3.160 20 10 CGCDHM CC(C)c1nnc([C@@H](C)N[C@@H](C)c2c([O-])cccc2F)[nH]1 ZINC000886558653 637581006 /nfs/dbraw/zinc/58/10/06/637581006.db2.gz PBJDJXCTHZOKNO-VHSXEESVSA-N -1 3 292.358 3.185 20 10 CGCDHM CCC[C@H](C(=O)NCc1c([O-])cccc1F)C(C)C ZINC000928706143 638889402 /nfs/dbraw/zinc/88/94/02/638889402.db2.gz RUMPVRKYINXENH-NSHDSACASA-N -1 3 267.344 3.220 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCc2ccccc21 ZINC000928712053 638889607 /nfs/dbraw/zinc/88/96/07/638889607.db2.gz NSEPTXUOSHHECV-AWEZNQCLSA-N -1 3 299.345 3.268 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@H]1c1ccsc1 ZINC000928710547 638889803 /nfs/dbraw/zinc/88/98/03/638889803.db2.gz UTFNLLHRWWFVPH-WDEREUQCSA-N -1 3 291.347 3.013 20 10 CGCDHM CC[C@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H](CC)O1 ZINC000398721966 799533373 /nfs/dbraw/zinc/53/33/73/799533373.db2.gz IXENKDJRQLALBD-STQMWFEESA-N -1 3 283.799 3.435 20 10 CGCDHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1cscn1 ZINC000697819376 799850502 /nfs/dbraw/zinc/85/05/02/799850502.db2.gz HWGHINZCABKWEU-IUCAKERBSA-N -1 3 266.341 3.400 20 10 CGCDHM Cc1ccc([C@H](C)NCc2ccc(F)c(F)c2[O-])o1 ZINC000703394638 799924573 /nfs/dbraw/zinc/92/45/73/799924573.db2.gz LELNCZLQNQHYIE-VIFPVBQESA-N -1 3 267.275 3.423 20 10 CGCDHM C[C@@H](NCc1ncc(Cl)s1)c1ccc(F)cc1[O-] ZINC000719401881 800238651 /nfs/dbraw/zinc/23/86/51/800238651.db2.gz LMEXVBMEURCJPB-SSDOTTSWSA-N -1 3 286.759 3.492 20 10 CGCDHM [O-]c1cccc(F)c1CN1CCO[C@@H](c2ccccc2)C1 ZINC001137837845 803779847 /nfs/dbraw/zinc/77/98/47/803779847.db2.gz WYKLQDUXVWLGID-QGZVFWFLSA-N -1 3 287.334 3.105 20 10 CGCDHM CC[N@H+](Cc1ccccc1[O-])Cc1cccc(F)c1[O-] ZINC001138129868 803865464 /nfs/dbraw/zinc/86/54/64/803865464.db2.gz XIXYMSPETIFNNS-UHFFFAOYSA-N -1 3 275.323 3.259 20 10 CGCDHM CC[N@@H+](Cc1ccccc1[O-])Cc1cccc(F)c1[O-] ZINC001138129868 803865471 /nfs/dbraw/zinc/86/54/71/803865471.db2.gz XIXYMSPETIFNNS-UHFFFAOYSA-N -1 3 275.323 3.259 20 10 CGCDHM CCCOC1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139683225 804251445 /nfs/dbraw/zinc/25/14/45/804251445.db2.gz IHGTYQFDGDVGDK-UHFFFAOYSA-N -1 3 285.334 3.061 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CC2(C1)C[C@H](F)CS2 ZINC001140342064 804419855 /nfs/dbraw/zinc/41/98/55/804419855.db2.gz RMSSJYBRBNCCOF-VIFPVBQESA-N -1 3 287.787 3.075 20 10 CGCDHM CCN(Cc1ccccc1O)Cc1ccc([O-])c(F)c1F ZINC001140893211 804545020 /nfs/dbraw/zinc/54/50/20/804545020.db2.gz KYAMVSRYGYBAOW-UHFFFAOYSA-N -1 3 293.313 3.398 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001142524666 804732342 /nfs/dbraw/zinc/73/23/42/804732342.db2.gz GBHNGFSYLWJDNY-MRVPVSSYSA-N -1 3 281.224 3.055 20 10 CGCDHM CC(C)(C)c1cc([O-])c(CN2CC(C)(CO)C2)cc1Cl ZINC001248880081 805031115 /nfs/dbraw/zinc/03/11/15/805031115.db2.gz GHQGXERTJYDYFC-UHFFFAOYSA-N -1 3 297.826 3.157 20 10 CGCDHM Cc1ccc(-c2nnc(-c3cccc(O)c3[O-])o2)cc1F ZINC001258719218 807569117 /nfs/dbraw/zinc/56/91/17/807569117.db2.gz QHZBMBKJALMZGF-UHFFFAOYSA-N -1 3 286.262 3.262 20 10 CGCDHM CC(=O)Nc1ccc(NCc2ccc(Cl)cc2[O-])nc1 ZINC001180811493 810022547 /nfs/dbraw/zinc/02/25/47/810022547.db2.gz REFBUZFQPQITBW-UHFFFAOYSA-N -1 3 291.738 3.011 20 10 CGCDHM C[C@H](C1CC1)n1cc(NCc2cc(F)c(F)cc2[O-])cn1 ZINC001181125498 810038965 /nfs/dbraw/zinc/03/89/65/810038965.db2.gz OCBUMPVXQSPALW-SECBINFHSA-N -1 3 293.317 3.450 20 10 CGCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(C2CC2)cc1 ZINC001190464680 810629753 /nfs/dbraw/zinc/62/97/53/810629753.db2.gz SIYIYFYKCFAMQP-UHFFFAOYSA-N -1 3 289.356 3.070 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CC[C@H](CF)C(F)(F)C1 ZINC001203651167 812415504 /nfs/dbraw/zinc/41/55/04/812415504.db2.gz KBWKZXSAYAKXOT-SNVBAGLBSA-N -1 3 293.716 3.472 20 10 CGCDHM COc1ccc2c(c1)CCCN2Cc1ccc([O-])c(F)c1 ZINC001205327468 812957713 /nfs/dbraw/zinc/95/77/13/812957713.db2.gz LOLKUMQABMYVOG-UHFFFAOYSA-N -1 3 287.334 3.493 20 10 CGCDHM CCC1(C)CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC001206195132 813234534 /nfs/dbraw/zinc/23/45/34/813234534.db2.gz QALUCHGLDYCEFD-UHFFFAOYSA-N -1 3 257.736 3.417 20 10 CGCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c([O-])c1 ZINC001231447199 818101062 /nfs/dbraw/zinc/10/10/62/818101062.db2.gz PBUFKLDSXJHPIC-HNNXBMFYSA-N -1 3 297.354 3.080 20 10 CGCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c([O-])c1 ZINC001231447199 818101066 /nfs/dbraw/zinc/10/10/66/818101066.db2.gz PBUFKLDSXJHPIC-HNNXBMFYSA-N -1 3 297.354 3.080 20 10 CGCDHM O=C([O-])c1ccc(C[N@@H+]2CCC3(C2)CCCCC3)c([O-])c1 ZINC001231453978 818102530 /nfs/dbraw/zinc/10/25/30/818102530.db2.gz SFBSGVOQELMJCE-UHFFFAOYSA-N -1 3 289.375 3.247 20 10 CGCDHM O=C([O-])c1ccc(C[N@H+]2CCC3(C2)CCCCC3)c([O-])c1 ZINC001231453978 818102535 /nfs/dbraw/zinc/10/25/35/818102535.db2.gz SFBSGVOQELMJCE-UHFFFAOYSA-N -1 3 289.375 3.247 20 10 CGCDHM CCCCC1CC[NH+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001231562983 818124160 /nfs/dbraw/zinc/12/41/60/818124160.db2.gz KXQHJZPZCRIALX-UHFFFAOYSA-N -1 3 291.391 3.493 20 10 CGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@H]2OCC[C@H]21 ZINC001236790571 819595645 /nfs/dbraw/zinc/59/56/45/819595645.db2.gz QGPRDLPODLIABK-DGCLKSJQSA-N -1 3 288.174 3.062 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@H]2CCCO[C@H]2C1 ZINC001237799171 819845036 /nfs/dbraw/zinc/84/50/36/819845036.db2.gz DSTZZDDWUBNCAB-HZMBPMFUSA-N -1 3 299.773 3.186 20 10 CGCDHM C[C@]1(CF)CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237809046 819847269 /nfs/dbraw/zinc/84/72/69/819847269.db2.gz YTMIJLIPOKXWOD-CYBMUJFWSA-N -1 3 275.726 3.366 20 10 CGCDHM CN(Cc1ccncc1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237933561 819885214 /nfs/dbraw/zinc/88/52/14/819885214.db2.gz COYQBPRCSKSZDY-UHFFFAOYSA-N -1 3 280.730 3.212 20 10 CGCDHM C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001308728931 933165363 /nfs/dbraw/zinc/16/53/63/933165363.db2.gz CHONHKSBMHRJSU-CBAPKCEASA-N -1 3 295.251 3.443 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@@H](C3CC3)O[C@@H](C)C2)cc1Cl ZINC001308730957 933165626 /nfs/dbraw/zinc/16/56/26/933165626.db2.gz DHUKUBCPFVMKJP-ZBEGNZNMSA-N -1 3 295.810 3.353 20 10 CGCDHM O=C(Cc1ccc(Cl)cc1)NCc1c([O-])cccc1F ZINC001471975407 937771331 /nfs/dbraw/zinc/77/13/31/937771331.db2.gz YVIBOUYZFWTNNJ-UHFFFAOYSA-N -1 3 293.725 3.044 20 10 CGCDHM Cc1sccc1NC(=O)NCc1c([O-])cccc1F ZINC001476974295 937891460 /nfs/dbraw/zinc/89/14/60/937891460.db2.gz LDDKKSAAIJBBBC-UHFFFAOYSA-N -1 3 280.324 3.223 20 10 CGCDHM O=C(Nc1ccccc1NC1CCC1)c1cccc(O)c1[O-] ZINC001557346986 938209462 /nfs/dbraw/zinc/20/94/62/938209462.db2.gz IEIZHZPUGLODQW-UHFFFAOYSA-N -1 3 298.342 3.315 20 10 CGCDHM Cc1cc(C)c([C@@H](C)[NH2+]C2CCC(C(=O)[O-])CC2)c([O-])c1 ZINC001594292424 957835248 /nfs/dbraw/zinc/83/52/48/957835248.db2.gz JBPMENYHKRJEOI-IYXRBSQSSA-N -1 3 291.391 3.303 20 10 CGCDHM CC[C@@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1ccc(C)cc1[O-] ZINC001589568110 963998624 /nfs/dbraw/zinc/99/86/24/963998624.db2.gz KCVLBANWAPSRFC-SSDMNJCBSA-N -1 3 291.391 3.385 20 10 CGCDHM C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593222108 994331357 /nfs/dbraw/zinc/33/13/57/994331357.db2.gz HDPSMYRPPIONOL-ONGXEEELSA-N -1 3 299.317 3.319 20 10 CGCDHM C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593258302 994540601 /nfs/dbraw/zinc/54/06/01/994540601.db2.gz ZRZXSISVKJWRTD-FZMZJTMJSA-N -1 3 297.354 3.081 20 10 CGCDHM CC[C@H](NCc1snnc1C)c1cccc(Cl)c1[O-] ZINC000293655366 372439084 /nfs/dbraw/zinc/43/90/84/372439084.db2.gz LOJHUVJBVLIDLL-NSHDSACASA-N -1 3 297.811 3.446 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000293842503 372498919 /nfs/dbraw/zinc/49/89/19/372498919.db2.gz BCUGFOAVVSTGFN-JKSUJKDBSA-N -1 3 293.794 3.189 20 10 CGCDHM CC(C)C[C@]1(C)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000295817771 372921288 /nfs/dbraw/zinc/92/12/88/372921288.db2.gz PFQUNNZKFWVUNA-INIZCTEOSA-N -1 3 277.364 3.139 20 10 CGCDHM [O-]c1cccc2c1[C@H](NCc1cc(F)cnc1Cl)CC2 ZINC000297232688 373261952 /nfs/dbraw/zinc/26/19/52/373261952.db2.gz HZEOHOZWYQFKEV-GFCCVEGCSA-N -1 3 292.741 3.357 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])c1ccccn1 ZINC000191182105 375591130 /nfs/dbraw/zinc/59/11/30/375591130.db2.gz NCMUZADMLSWBJC-VHSXEESVSA-N -1 3 278.302 3.477 20 10 CGCDHM CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000193095190 375825654 /nfs/dbraw/zinc/82/56/54/375825654.db2.gz UCOBNDMWVYCGDX-CQSZACIVSA-N -1 3 299.370 3.191 20 10 CGCDHM C[C@H](c1ccncc1)N(C)Cc1cccc(F)c1[O-] ZINC000273426470 378745597 /nfs/dbraw/zinc/74/55/97/378745597.db2.gz RZDUYXCMTKYWCR-LLVKDONJSA-N -1 3 260.312 3.119 20 10 CGCDHM C[C@H](c1cccnc1)N(C)Cc1cccc(F)c1[O-] ZINC000273454399 378747631 /nfs/dbraw/zinc/74/76/31/378747631.db2.gz ZOGXMBVHMSOAGK-LLVKDONJSA-N -1 3 260.312 3.119 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCOCC2(CCC2)C1 ZINC000371881540 379181318 /nfs/dbraw/zinc/18/13/18/379181318.db2.gz JENPPFTVUWDOSV-UHFFFAOYSA-N -1 3 281.783 3.048 20 10 CGCDHM CCOc1ccc(NC(=O)c2cc([O-])cs2)cc1F ZINC000731870298 572430588 /nfs/dbraw/zinc/43/05/88/572430588.db2.gz LFDNYHVUXXFPDM-UHFFFAOYSA-N -1 3 281.308 3.244 20 10 CGCDHM COCCc1ccnc(NCc2c([O-])cccc2Cl)c1 ZINC000285180434 380146005 /nfs/dbraw/zinc/14/60/05/380146005.db2.gz MXATWRYAKLVENM-UHFFFAOYSA-N -1 3 292.766 3.242 20 10 CGCDHM CC[C@@H](NCc1nccs1)c1ccc(F)cc1[O-] ZINC000285982858 380154772 /nfs/dbraw/zinc/15/47/72/380154772.db2.gz HTCBWRVQOACLFG-LLVKDONJSA-N -1 3 266.341 3.229 20 10 CGCDHM C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1cc(Cl)ccc1[O-] ZINC000363866766 382258541 /nfs/dbraw/zinc/25/85/41/382258541.db2.gz PGGUNZRGEGBLEW-RNCFNFMXSA-N -1 3 291.782 3.497 20 10 CGCDHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)c([O-])c1O ZINC000179462288 392702543 /nfs/dbraw/zinc/70/25/43/392702543.db2.gz IYSNPPXHIGQWLX-CQSZACIVSA-N -1 3 297.354 3.036 20 10 CGCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1cccc([O-])c1 ZINC000352122950 228185537 /nfs/dbraw/zinc/18/55/37/228185537.db2.gz VBYVBBYYYFXTRJ-UHFFFAOYSA-N -1 3 294.354 3.122 20 10 CGCDHM COc1ncccc1CN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000184985215 262035987 /nfs/dbraw/zinc/03/59/87/262035987.db2.gz BIKXQEFRVCSKDC-JTQLQIEISA-N -1 3 292.766 3.300 20 10 CGCDHM C[C@@H](N[C@@H]1COc2cc(F)cc(F)c21)c1ccccc1[O-] ZINC000368212318 267153093 /nfs/dbraw/zinc/15/30/93/267153093.db2.gz MPNXHFGSNOEYDK-NOZJJQNGSA-N -1 3 291.297 3.455 20 10 CGCDHM Cc1ccc([C@H](C)CNC(=O)c2cc([O-])cs2)cc1 ZINC000738545318 572378589 /nfs/dbraw/zinc/37/85/89/572378589.db2.gz BZDAFBALIJICGM-LLVKDONJSA-N -1 3 275.373 3.296 20 10 CGCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)[C@@H]1c1ccccc1 ZINC000743778886 572405072 /nfs/dbraw/zinc/40/50/72/572405072.db2.gz QFZQSLAWFPYCAO-YGRLFVJLSA-N -1 3 273.357 3.287 20 10 CGCDHM CCc1nc2cc(NC(=O)c3cc([O-])cs3)ccc2o1 ZINC000731871178 572430878 /nfs/dbraw/zinc/43/08/78/572430878.db2.gz ZEMPACFUIQXCTH-UHFFFAOYSA-N -1 3 288.328 3.410 20 10 CGCDHM O=C(Nc1nc2c(s1)CCCCC2)c1cc([O-])cs1 ZINC000731866439 572433284 /nfs/dbraw/zinc/43/32/84/572433284.db2.gz IIMDXNNPWRIKGR-UHFFFAOYSA-N -1 3 294.401 3.431 20 10 CGCDHM CC(C)Oc1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000732268027 572456055 /nfs/dbraw/zinc/45/60/55/572456055.db2.gz CNPZQPWXOFMSSN-UHFFFAOYSA-N -1 3 291.372 3.171 20 10 CGCDHM CCn1ncc2ccc(NC(=O)c3cc([O-])cs3)cc21 ZINC000732279137 572458219 /nfs/dbraw/zinc/45/82/19/572458219.db2.gz YOXAPDAITPUQPN-UHFFFAOYSA-N -1 3 287.344 3.076 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000732287969 572459136 /nfs/dbraw/zinc/45/91/36/572459136.db2.gz KFJVTZOFJNJDQW-LLVKDONJSA-N -1 3 291.347 3.223 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCCc2sccc2C1 ZINC000732289930 572459264 /nfs/dbraw/zinc/45/92/64/572459264.db2.gz MDEQUUCISKXSJN-UHFFFAOYSA-N -1 3 279.386 3.104 20 10 CGCDHM Cc1cc(C)cc(OCCOC(=O)c2cc([O-])cs2)c1 ZINC000732353454 572461136 /nfs/dbraw/zinc/46/11/36/572461136.db2.gz PNVQAIWQDQJXGA-UHFFFAOYSA-N -1 3 292.356 3.306 20 10 CGCDHM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])cs2)[C@H](C)C1 ZINC000733363620 572559325 /nfs/dbraw/zinc/55/93/25/572559325.db2.gz AGAXQQYCOZORGR-FXPVBKGRSA-N -1 3 253.367 3.008 20 10 CGCDHM Cc1ccc([O-])c(C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000734405761 572652711 /nfs/dbraw/zinc/65/27/11/572652711.db2.gz JQDVDFQKCXXQIM-UHFFFAOYSA-N -1 3 298.386 3.005 20 10 CGCDHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc([O-])cs1 ZINC000734554434 572665540 /nfs/dbraw/zinc/66/55/40/572665540.db2.gz BSANUERZVHRPSG-DGCLKSJQSA-N -1 3 287.384 3.472 20 10 CGCDHM CCC[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000829497104 604769913 /nfs/dbraw/zinc/76/99/13/604769913.db2.gz WPKVPAZZEYGFLW-QGZVFWFLSA-N -1 3 299.370 3.430 20 10 CGCDHM CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000829497104 604769916 /nfs/dbraw/zinc/76/99/16/604769916.db2.gz WPKVPAZZEYGFLW-QGZVFWFLSA-N -1 3 299.370 3.430 20 10 CGCDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])c1ccc(F)cc1 ZINC000179412019 618782810 /nfs/dbraw/zinc/78/28/10/618782810.db2.gz KIFOMWHROUCNBY-UHFFFAOYSA-N -1 3 289.306 3.212 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H](CF)C1 ZINC000895543952 619846016 /nfs/dbraw/zinc/84/60/16/619846016.db2.gz HOOFQLQAQDEXSF-VIFPVBQESA-N -1 3 275.726 3.366 20 10 CGCDHM [O-]c1c(Cl)cccc1CNCc1cc(C2CC2)no1 ZINC000895763751 619881847 /nfs/dbraw/zinc/88/18/47/619881847.db2.gz BEUZTJBJOFCIHP-UHFFFAOYSA-N -1 3 278.739 3.201 20 10 CGCDHM [O-]c1cccc(F)c1CNc1nccn2nc(C3CC3)cc12 ZINC000895832444 619894257 /nfs/dbraw/zinc/89/42/57/619894257.db2.gz GXSHJZODGOGHGL-UHFFFAOYSA-N -1 3 298.321 3.064 20 10 CGCDHM CC[C@@H](CC(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928705685 620208009 /nfs/dbraw/zinc/20/80/09/620208009.db2.gz KZDQLFOHEGDUGP-NSHDSACASA-N -1 3 267.344 3.220 20 10 CGCDHM CCOc1ccc(CNCc2cccc(Cl)c2[O-])o1 ZINC000898215830 620489067 /nfs/dbraw/zinc/48/90/67/620489067.db2.gz RRGBEWYIUMOOCT-UHFFFAOYSA-N -1 3 281.739 3.327 20 10 CGCDHM C[C@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccn1 ZINC000756344204 626694095 /nfs/dbraw/zinc/69/40/95/626694095.db2.gz SEHNZCSTVSNIQN-UWVGGRQHSA-N -1 3 278.302 3.477 20 10 CGCDHM C[C@@H](Nc1cnn(-c2ccccn2)c1)c1ccc(F)cc1[O-] ZINC000756856026 626738073 /nfs/dbraw/zinc/73/80/73/626738073.db2.gz IYGJKCOOOMJWGT-LLVKDONJSA-N -1 3 298.321 3.285 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1cnn(CC2CC2)c1 ZINC000761320272 627032224 /nfs/dbraw/zinc/03/22/24/627032224.db2.gz VCFSBIUWZATSRD-UHFFFAOYSA-N -1 3 277.755 3.264 20 10 CGCDHM Cc1occc1CNCc1c([O-])ccc(Cl)c1F ZINC000790954047 629242907 /nfs/dbraw/zinc/24/29/07/629242907.db2.gz JMNKPIRVKCUODD-UHFFFAOYSA-N -1 3 269.703 3.376 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN[C@@H](C1CC1)C(F)(F)F ZINC000808438859 630645105 /nfs/dbraw/zinc/64/51/05/630645105.db2.gz PMROMDONZCUTDX-NSHDSACASA-N -1 3 279.689 3.476 20 10 CGCDHM CCc1noc(C)c1CNCc1c([O-])ccc(Cl)c1F ZINC000815145930 631729360 /nfs/dbraw/zinc/72/93/60/631729360.db2.gz IYWZPQTYSBREBL-UHFFFAOYSA-N -1 3 298.745 3.333 20 10 CGCDHM CO[C@@]1(C)CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816595065 632018948 /nfs/dbraw/zinc/01/89/48/632018948.db2.gz YDOPYARTXHNSTL-AWEZNQCLSA-N -1 3 287.762 3.186 20 10 CGCDHM CCc1noc(C)c1CNCc1cc(Cl)c(F)cc1[O-] ZINC000816638105 632029160 /nfs/dbraw/zinc/02/91/60/632029160.db2.gz ABRMSGJVAUUONP-UHFFFAOYSA-N -1 3 298.745 3.333 20 10 CGCDHM C[C@]1(F)CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000824472840 633248787 /nfs/dbraw/zinc/24/87/87/633248787.db2.gz ZOVSORSOZGCLNQ-ZDUSSCGKSA-N -1 3 257.736 3.370 20 10 CGCDHM Cc1cc([O-])c(CN2CCC[C@@H](F)C2)c(Cl)c1 ZINC000846119488 636147498 /nfs/dbraw/zinc/14/74/98/636147498.db2.gz FQGJCMDWVVGSPF-SNVBAGLBSA-N -1 3 257.736 3.288 20 10 CGCDHM Cc1nonc1CN[C@H](C)c1ccc2ccccc2c1[O-] ZINC000872138055 634061104 /nfs/dbraw/zinc/06/11/04/634061104.db2.gz YYSCXCMBIQNPPP-SNVBAGLBSA-N -1 3 283.331 3.088 20 10 CGCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC000126383889 635006893 /nfs/dbraw/zinc/00/68/93/635006893.db2.gz HCCZVOHKGKLJND-CYBMUJFWSA-N -1 3 277.364 3.187 20 10 CGCDHM CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126435739 635017405 /nfs/dbraw/zinc/01/74/05/635017405.db2.gz AGACCRUNTJUQQI-GFCCVEGCSA-N -1 3 291.391 3.386 20 10 CGCDHM CC[C@H](N[C@@H](C)c1ccn(C)n1)c1ccc(F)cc1[O-] ZINC000840816667 635057585 /nfs/dbraw/zinc/05/75/85/635057585.db2.gz XHPHARVPFZFABH-GWCFXTLKSA-N -1 3 277.343 3.067 20 10 CGCDHM C[C@@H](N[C@@H](C)c1cc(Cl)ccc1[O-])c1csnn1 ZINC000840885894 635074491 /nfs/dbraw/zinc/07/44/91/635074491.db2.gz HXFMHMABKKDGAU-JGVFFNPUSA-N -1 3 283.784 3.309 20 10 CGCDHM COc1cccnc1CNCc1c([O-])cc(C)cc1Cl ZINC000840952430 635092226 /nfs/dbraw/zinc/09/22/26/635092226.db2.gz ZVTJXNBJLRQELU-UHFFFAOYSA-N -1 3 292.766 3.047 20 10 CGCDHM CC[C@@H]1CO[C@H](C)CN1Cc1c([O-])cccc1Cl ZINC000131501114 636670663 /nfs/dbraw/zinc/67/06/63/636670663.db2.gz JNBRIRGVTBBWHP-GHMZBOCLSA-N -1 3 269.772 3.045 20 10 CGCDHM CCc1cnc(CN[C@@H](C)c2c([O-])cccc2F)s1 ZINC000886535348 637561728 /nfs/dbraw/zinc/56/17/28/637561728.db2.gz YTZPDBLSQZFBIR-VIFPVBQESA-N -1 3 280.368 3.401 20 10 CGCDHM Cc1cc(CC(=O)[N-]OC(C)C)c(C)n1-c1ccccc1 ZINC000854754536 638098863 /nfs/dbraw/zinc/09/88/63/638098863.db2.gz QSRZMTMJGCJOFN-UHFFFAOYSA-N -1 3 286.375 3.093 20 10 CGCDHM C[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccns1 ZINC000858317128 638679311 /nfs/dbraw/zinc/67/93/11/638679311.db2.gz RETAUXHNBDIABB-ZETCQYMHSA-N -1 3 286.759 3.492 20 10 CGCDHM C/C(=C/C(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928708250 638889227 /nfs/dbraw/zinc/88/92/27/638889227.db2.gz JIKDDFXEXQWUTE-NTMALXAHSA-N -1 3 265.328 3.140 20 10 CGCDHM CCNc1cc(C)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000191342337 640304884 /nfs/dbraw/zinc/30/48/84/640304884.db2.gz FQGUXYRXWXPAKP-UHFFFAOYSA-N -1 3 286.331 3.090 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCc3ccccc3C2)c1[O-] ZINC000097395040 640864465 /nfs/dbraw/zinc/86/44/65/640864465.db2.gz QKAQJJUMWHJCFF-UHFFFAOYSA-N -1 3 299.345 3.292 20 10 CGCDHM CC(C)(C)c1nsc(NCc2c([O-])cccc2F)n1 ZINC001120063763 802732446 /nfs/dbraw/zinc/73/24/46/802732446.db2.gz KFSPBKWURODXDY-UHFFFAOYSA-N -1 3 281.356 3.292 20 10 CGCDHM Cc1cccc(CN(C)Cc2c([O-])cccc2F)c1 ZINC001137831810 803777311 /nfs/dbraw/zinc/77/73/11/803777311.db2.gz ONVCVOXAOVEKSI-UHFFFAOYSA-N -1 3 259.324 3.472 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CCC[C@@H]1c1cnccn1 ZINC001140466226 804443325 /nfs/dbraw/zinc/44/33/25/804443325.db2.gz BUHWDECVMBKDLJ-CQSZACIVSA-N -1 3 289.766 3.173 20 10 CGCDHM CN(Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001142501880 804726694 /nfs/dbraw/zinc/72/66/94/804726694.db2.gz DVQLNDSUCQSZJQ-UHFFFAOYSA-N -1 3 281.277 3.442 20 10 CGCDHM C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CCC1(F)F ZINC001142508909 804728122 /nfs/dbraw/zinc/72/81/22/804728122.db2.gz PNGLQEIGYIGHER-QMMMGPOBSA-N -1 3 277.261 3.148 20 10 CGCDHM Cc1cc(C)c2c(c1)N(C(=O)c1cccc(O)c1[O-])CCC2 ZINC001143659083 804882110 /nfs/dbraw/zinc/88/21/10/804882110.db2.gz UYWFJIICDQPSMN-UHFFFAOYSA-N -1 3 297.354 3.308 20 10 CGCDHM COC1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248880417 805030711 /nfs/dbraw/zinc/03/07/11/805030711.db2.gz IVBZQRWGNSHQNU-UHFFFAOYSA-N -1 3 283.799 3.174 20 10 CGCDHM CC[C@@](C)(NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001146926731 805098395 /nfs/dbraw/zinc/09/83/95/805098395.db2.gz QAKKYCRSMLWMCL-QGZVFWFLSA-N -1 3 285.343 3.153 20 10 CGCDHM O=C(Nc1ccccc1-c1ncco1)c1cccc(O)c1[O-] ZINC001167439954 807194628 /nfs/dbraw/zinc/19/46/28/807194628.db2.gz NKRJHWBUHFQCEP-UHFFFAOYSA-N -1 3 296.282 3.005 20 10 CGCDHM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC001259522692 807680585 /nfs/dbraw/zinc/68/05/85/807680585.db2.gz VFMHVLBONLGGJL-UHFFFAOYSA-N -1 3 291.372 3.118 20 10 CGCDHM CN(Cc1cccc(F)c1)Cc1cc(F)cc(F)c1[O-] ZINC001180497813 810006285 /nfs/dbraw/zinc/00/62/85/810006285.db2.gz UXEMCXRFSNWZGI-UHFFFAOYSA-N -1 3 281.277 3.442 20 10 CGCDHM [O-]c1c(F)cccc1CNCc1cc(F)cnc1Cl ZINC001181987291 810087251 /nfs/dbraw/zinc/08/72/51/810087251.db2.gz QVAXSEZQTNTRGK-UHFFFAOYSA-N -1 3 284.693 3.009 20 10 CGCDHM Cc1cc(C)cc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1 ZINC001215327644 815506794 /nfs/dbraw/zinc/50/67/94/815506794.db2.gz MBMNWFARXCLQFY-UHFFFAOYSA-N -1 3 298.298 3.137 20 10 CGCDHM C[C@@]1(F)CCN(Cc2cc(Cl)ccc2[O-])C[C@H]1F ZINC001203650843 812415453 /nfs/dbraw/zinc/41/54/53/812415453.db2.gz FIQDQXRHQAQHRF-CHWSQXEVSA-N -1 3 275.726 3.318 20 10 CGCDHM O=C1CCN(Cc2cc(Cl)ccc2[O-])[C@H]2CCCC[C@H]12 ZINC001203648141 812415625 /nfs/dbraw/zinc/41/56/25/812415625.db2.gz FCLWVJSRWISUNA-KBPBESRZSA-N -1 3 293.794 3.379 20 10 CGCDHM Cc1cc([O-])c(CN2CCc3ncccc3C2)cc1Cl ZINC001231870719 818193533 /nfs/dbraw/zinc/19/35/33/818193533.db2.gz PYXCWDUZBBIRIR-UHFFFAOYSA-N -1 3 288.778 3.307 20 10 CGCDHM CN(Cc1ccccc1O)Cc1ccc(F)c([O-])c1F ZINC001232937704 818476582 /nfs/dbraw/zinc/47/65/82/818476582.db2.gz RQGZVBOMUMYBSZ-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM COc1ccc(CN(C)Cc2ccccn2)c([O-])c1Cl ZINC001236800614 819600199 /nfs/dbraw/zinc/60/01/99/819600199.db2.gz BGUYLGNRXBMRSJ-UHFFFAOYSA-N -1 3 292.766 3.081 20 10 CGCDHM [O-]c1ccc(F)c(Cl)c1CN1CC2(CCC2)C1 ZINC001237124954 819672673 /nfs/dbraw/zinc/67/26/73/819672673.db2.gz TXVXWFIRBQNFMQ-UHFFFAOYSA-N -1 3 255.720 3.171 20 10 CGCDHM CN(Cc1c([O-])ccc(F)c1Cl)C1CC(F)(F)C1 ZINC001237122349 819673388 /nfs/dbraw/zinc/67/33/88/819673388.db2.gz UEIYOGLOYKMBJH-UHFFFAOYSA-N -1 3 279.689 3.414 20 10 CGCDHM Cc1cc(NC(=O)c2ccc(C)c(O)c2[O-])cs1 ZINC001454254406 937407666 /nfs/dbraw/zinc/40/76/66/937407666.db2.gz CHHPVQBYOIPCIL-UHFFFAOYSA-N -1 3 263.318 3.028 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1cccc2cccnc21 ZINC001456086739 937425673 /nfs/dbraw/zinc/42/56/73/937425673.db2.gz HEJXQBLXDRUWBO-UHFFFAOYSA-N -1 3 296.301 3.010 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1cnc2[nH]ccc2c1 ZINC001461748704 937595249 /nfs/dbraw/zinc/59/52/49/937595249.db2.gz DLOWPDXIYXGFJZ-UHFFFAOYSA-N -1 3 273.723 3.486 20 10 CGCDHM CC1(C)C(C)(C)C1(C)C(=O)NCc1c([O-])cccc1F ZINC001303876101 932836200 /nfs/dbraw/zinc/83/62/00/932836200.db2.gz UWCLCVHRVNAOLK-UHFFFAOYSA-N -1 3 279.355 3.220 20 10 CGCDHM Cc1cccc([O-])c1C(=O)NCc1ccc(N(C)C)cc1C ZINC001465034051 937697506 /nfs/dbraw/zinc/69/75/06/937697506.db2.gz WGMYPWOUARLOND-UHFFFAOYSA-N -1 3 298.386 3.005 20 10 CGCDHM Cc1cc(CC(=O)[N-]OCC2CC2)c(C)n1-c1ccccc1 ZINC001468392783 937727487 /nfs/dbraw/zinc/72/74/87/937727487.db2.gz RFALOJVLLIMTKR-UHFFFAOYSA-N -1 3 298.386 3.094 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(C(F)F)cc1 ZINC001471975223 937771217 /nfs/dbraw/zinc/77/12/17/937771217.db2.gz USJDBBCJLGZSQK-UHFFFAOYSA-N -1 3 295.260 3.399 20 10 CGCDHM CCC[C@@H]1CCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001471975720 937771390 /nfs/dbraw/zinc/77/13/90/937771390.db2.gz FAYAZZABJYHFTJ-VXGBXAGGSA-N -1 3 279.355 3.364 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC001474546799 937866413 /nfs/dbraw/zinc/86/64/13/937866413.db2.gz PNECJYCGTHWHMC-JKSUJKDBSA-N -1 3 293.794 3.189 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)OCCc1ccccc1 ZINC001475707071 937884939 /nfs/dbraw/zinc/88/49/39/937884939.db2.gz MDYOMAXWWULKQL-UHFFFAOYSA-N -1 3 289.306 3.000 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H]1c1ccc[nH]1 ZINC001560701330 938271192 /nfs/dbraw/zinc/27/11/92/938271192.db2.gz JWJOQMTWQMOEOG-CQSZACIVSA-N -1 3 278.302 3.336 20 10 CGCDHM C[C@H]1COC(C)(C)CN1Cc1ccc(Cl)cc1[O-] ZINC001560806394 938276899 /nfs/dbraw/zinc/27/68/99/938276899.db2.gz JXNHOEYBDVYWDB-JTQLQIEISA-N -1 3 269.772 3.045 20 10 CGCDHM CCC[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC001570340065 961951865 /nfs/dbraw/zinc/95/18/65/961951865.db2.gz TXSSPHMVCAGATP-QWHCGFSZSA-N -1 3 291.391 3.434 20 10 CGCDHM CC[C@H]([NH2+]Cc1cccc(C(=O)[O-])c1)c1ccccc1[O-] ZINC001589570741 963999154 /nfs/dbraw/zinc/99/91/54/963999154.db2.gz SRWGFMVICKHHCV-HNNXBMFYSA-N -1 3 285.343 3.331 20 10 CGCDHM C[C@H]([NH2+]CCCc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593268543 994594815 /nfs/dbraw/zinc/59/48/15/994594815.db2.gz WGABWLLDGXYHLL-ZDUSSCGKSA-N -1 3 299.370 3.374 20 10 CGCDHM Cc1ncc(CNCc2cccc(Cl)c2[O-])s1 ZINC000124804770 370927982 /nfs/dbraw/zinc/92/79/82/370927982.db2.gz CIIFUSRYANTMIR-UHFFFAOYSA-N -1 3 268.769 3.100 20 10 CGCDHM COCCN(Cc1ccco1)Cc1c([O-])cccc1Cl ZINC000124077817 370919257 /nfs/dbraw/zinc/91/92/57/370919257.db2.gz UIWHAPZFIICJNO-UHFFFAOYSA-N -1 3 295.766 3.287 20 10 CGCDHM COc1ccncc1CN[C@H](C)c1cc(Cl)ccc1[O-] ZINC000294519672 372658430 /nfs/dbraw/zinc/65/84/30/372658430.db2.gz ZFNGEICUCAWLCF-SNVBAGLBSA-N -1 3 292.766 3.300 20 10 CGCDHM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000189907015 375458749 /nfs/dbraw/zinc/45/87/49/375458749.db2.gz VMNMZJOCUCEPCT-GXTWGEPZSA-N -1 3 297.354 3.116 20 10 CGCDHM COc1ccccc1CN(C)Cc1cccc(F)c1[O-] ZINC000272244961 378593883 /nfs/dbraw/zinc/59/38/83/378593883.db2.gz HGMCWFPJYQVOJS-UHFFFAOYSA-N -1 3 275.323 3.172 20 10 CGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(C)nc2)c1 ZINC000273470906 378747982 /nfs/dbraw/zinc/74/79/82/378747982.db2.gz JUEWRSLHKMRZTN-NSHDSACASA-N -1 3 286.331 3.055 20 10 CGCDHM CCc1nnc([C@@H](C)N[C@H](C)c2cc(Cl)ccc2[O-])[nH]1 ZINC000273524563 378752145 /nfs/dbraw/zinc/75/21/45/378752145.db2.gz UXSIALQTKDJNAQ-RKDXNWHRSA-N -1 3 294.786 3.138 20 10 CGCDHM CN(C)c1ccc(NC(=O)c2cc([O-])cs2)cc1Cl ZINC000731870641 572430023 /nfs/dbraw/zinc/43/00/23/572430023.db2.gz LVXDAZFFZAKYJL-UHFFFAOYSA-N -1 3 296.779 3.425 20 10 CGCDHM CC[C@@H](NCc1c(C)noc1C)c1ccc(F)cc1[O-] ZINC000286103063 380161274 /nfs/dbraw/zinc/16/12/74/380161274.db2.gz NIOXFCDPAZGGGL-CQSZACIVSA-N -1 3 278.327 3.377 20 10 CGCDHM Cc1occc1CNCc1cc(Cl)ccc1[O-] ZINC000725848833 572440739 /nfs/dbraw/zinc/44/07/39/572440739.db2.gz KVEKFTCBXZXIMO-UHFFFAOYSA-N -1 3 251.713 3.237 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CCOCC2(CCC2)C1 ZINC000363936610 262041355 /nfs/dbraw/zinc/04/13/55/262041355.db2.gz YQJUSAXAPQOYJD-UHFFFAOYSA-N -1 3 281.783 3.048 20 10 CGCDHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)C2)c([O-])c1O ZINC000179462282 392702554 /nfs/dbraw/zinc/70/25/54/392702554.db2.gz IYSNPPXHIGQWLX-AWEZNQCLSA-N -1 3 297.354 3.036 20 10 CGCDHM CC[C@H](N[C@H](C)c1nnc(C)s1)c1ccc(F)cc1[O-] ZINC000286182035 288084125 /nfs/dbraw/zinc/08/41/25/288084125.db2.gz QJYNHKBLCWXHOF-PELKAZGASA-N -1 3 295.383 3.493 20 10 CGCDHM CC1(C)CN(Cc2ccccc2[O-])[C@H]1c1cccnc1 ZINC000292870140 520482329 /nfs/dbraw/zinc/48/23/29/520482329.db2.gz WJOIDOZNLHDBAD-INIZCTEOSA-N -1 3 268.360 3.370 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCCc2occc2C1 ZINC000290162836 526329108 /nfs/dbraw/zinc/32/91/08/526329108.db2.gz LZQUNHIKIZVSIO-UHFFFAOYSA-N -1 3 261.296 3.073 20 10 CGCDHM [O-]c1c(F)cccc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000290363274 526329998 /nfs/dbraw/zinc/32/99/98/526329998.db2.gz AAVCIAWGKHNISM-ZBFHGGJFSA-N -1 3 291.366 3.065 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ccsc1 ZINC000280050224 526772399 /nfs/dbraw/zinc/77/23/99/526772399.db2.gz GHOFZAYTZZWMPS-GFCCVEGCSA-N -1 3 289.356 3.137 20 10 CGCDHM O=C(N[C@H](c1ccccc1)C1CC1)c1cc([O-])cs1 ZINC000731867966 572433153 /nfs/dbraw/zinc/43/31/53/572433153.db2.gz FJAHDEVZJDBKPA-CQSZACIVSA-N -1 3 273.357 3.335 20 10 CGCDHM COc1ccc([C@@H](C)N(C)C(=O)c2cc([O-])cs2)cc1 ZINC000732267049 572455046 /nfs/dbraw/zinc/45/50/46/572455046.db2.gz UGKKCHTVPWQKLG-SNVBAGLBSA-N -1 3 291.372 3.296 20 10 CGCDHM O=C(Nc1nc2c(s1)CCCC2)c1cc([O-])cs1 ZINC000732263821 572455220 /nfs/dbraw/zinc/45/52/20/572455220.db2.gz VQVDLYZQHZCIEO-UHFFFAOYSA-N -1 3 280.374 3.041 20 10 CGCDHM O=C(N[C@@H]1CCSc2ccccc21)c1cc([O-])cs1 ZINC000732269657 572455702 /nfs/dbraw/zinc/45/57/02/572455702.db2.gz GYMAUAJNUMHVSQ-LLVKDONJSA-N -1 3 291.397 3.421 20 10 CGCDHM O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc([O-])cs1 ZINC000732268390 572456044 /nfs/dbraw/zinc/45/60/44/572456044.db2.gz DYAMFCCYFRBTKI-UHFFFAOYSA-N -1 3 285.328 3.096 20 10 CGCDHM Cc1cn(-c2ccccc2)nc1NC(=O)c1cc([O-])cs1 ZINC000732290349 572459072 /nfs/dbraw/zinc/45/90/72/572459072.db2.gz ULZZQHSFOKNJTL-UHFFFAOYSA-N -1 3 299.355 3.200 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN[C@H](CO)c1ccc(F)cc1 ZINC000734850481 572688266 /nfs/dbraw/zinc/68/82/66/572688266.db2.gz KZYFCOSSLVTDFC-CQSZACIVSA-N -1 3 295.741 3.008 20 10 CGCDHM CCOc1ccc(NC(=O)c2cccc(O)c2[O-])c(C)c1 ZINC000192987975 619124589 /nfs/dbraw/zinc/12/45/89/619124589.db2.gz MFRKKGXXNGIEID-UHFFFAOYSA-N -1 3 287.315 3.057 20 10 CGCDHM COc1ccccc1CN(C)Cc1cc(F)cc(F)c1[O-] ZINC000893882501 619326469 /nfs/dbraw/zinc/32/64/69/619326469.db2.gz KAFNVVHYYRFJPQ-UHFFFAOYSA-N -1 3 293.313 3.311 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@H](OCC2CC2)C1 ZINC000894493832 619555675 /nfs/dbraw/zinc/55/56/75/619555675.db2.gz DZVVYKHWWJQYQA-AWEZNQCLSA-N -1 3 297.345 3.061 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCCc2occc2C1 ZINC000894787495 619636043 /nfs/dbraw/zinc/63/60/43/619636043.db2.gz PPHOTXQIGUHYHC-UHFFFAOYSA-N -1 3 279.286 3.212 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CC(Cc2cccs2)C1 ZINC000895409967 619822866 /nfs/dbraw/zinc/82/28/66/619822866.db2.gz BKGYQCYUXMCGGR-UHFFFAOYSA-N -1 3 295.354 3.406 20 10 CGCDHM CC(C)c1ncsc1C(=O)NCc1c([O-])cccc1F ZINC000928706331 620207458 /nfs/dbraw/zinc/20/74/58/620207458.db2.gz QPFJHCGFMXVXMO-UHFFFAOYSA-N -1 3 294.351 3.041 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CC(Cc2ccoc2)C1 ZINC000898160462 620484556 /nfs/dbraw/zinc/48/45/56/620484556.db2.gz GMQDZGATHLJHLF-UHFFFAOYSA-N -1 3 277.751 3.313 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN[C@H](c1ccccn1)C1CC1 ZINC000922583020 626016351 /nfs/dbraw/zinc/01/63/51/626016351.db2.gz SIQJDFFITFMAOI-HNNXBMFYSA-N -1 3 290.313 3.306 20 10 CGCDHM COCCC1(C)CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000839142425 626322959 /nfs/dbraw/zinc/32/29/59/626322959.db2.gz GFHCFEKSDVWUKS-UHFFFAOYSA-N -1 3 287.762 3.043 20 10 CGCDHM C[C@@H](NCc1ccco1)c1cc(F)cc(F)c1[O-] ZINC000756343601 626692482 /nfs/dbraw/zinc/69/24/82/626692482.db2.gz PRTZNVLHKHSJLN-MRVPVSSYSA-N -1 3 253.248 3.114 20 10 CGCDHM Cc1ccc2c(c1)nc(CNCc1cccc(F)c1[O-])n2C ZINC000769555682 627565713 /nfs/dbraw/zinc/56/57/13/627565713.db2.gz LORXNGKSXIZOGL-UHFFFAOYSA-N -1 3 299.349 3.016 20 10 CGCDHM CO[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1C ZINC000784666958 628828075 /nfs/dbraw/zinc/82/80/75/628828075.db2.gz CNEXOBMWKOKPHT-RNCFNFMXSA-N -1 3 287.762 3.042 20 10 CGCDHM CC(C)(CCNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790577384 629218575 /nfs/dbraw/zinc/21/85/75/629218575.db2.gz QFPGLIKZQYKBFJ-UHFFFAOYSA-N -1 3 299.370 3.196 20 10 CGCDHM Cc1ccc(C(C)(C)CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000790642188 629222712 /nfs/dbraw/zinc/22/27/12/629222712.db2.gz CKPJDUMQCNAFPT-UHFFFAOYSA-N -1 3 299.370 3.114 20 10 CGCDHM Cc1ccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000120097316 629859212 /nfs/dbraw/zinc/85/92/12/629859212.db2.gz XZWGLCLETWBXPJ-JTQLQIEISA-N -1 3 276.292 3.053 20 10 CGCDHM CO[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)C1 ZINC000799738423 630229474 /nfs/dbraw/zinc/22/94/74/630229474.db2.gz YRACCIYSSKEGKT-CABZTGNLSA-N -1 3 287.762 3.184 20 10 CGCDHM COCCN(Cc1ccc2ccccc2c1[O-])CC(F)F ZINC000816501277 631996014 /nfs/dbraw/zinc/99/60/14/631996014.db2.gz DJJAOCJOCSTABQ-UHFFFAOYSA-N -1 3 295.329 3.259 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H]1C1CC1 ZINC000824650093 633267328 /nfs/dbraw/zinc/26/73/28/633267328.db2.gz IAZJKBVCPSHZPW-GFCCVEGCSA-N -1 3 255.720 3.169 20 10 CGCDHM C[C@H]1C[C@H](NCc2c([O-])ccc(Cl)c2F)c2nccn21 ZINC000825017477 633318329 /nfs/dbraw/zinc/31/83/29/633318329.db2.gz SLISGXKKROZXJU-KWQFWETISA-N -1 3 295.745 3.177 20 10 CGCDHM C[C@@H]1C[C@@H](NCc2cccc(Cl)c2[O-])c2nccn21 ZINC000825017583 633318601 /nfs/dbraw/zinc/31/86/01/633318601.db2.gz VLXFSQWKYFAPGD-BXKDBHETSA-N -1 3 277.755 3.038 20 10 CGCDHM CCn1cc([C@H](C)NCc2c([O-])ccc(Cl)c2F)cn1 ZINC000825130161 633331334 /nfs/dbraw/zinc/33/13/34/633331334.db2.gz OHNZOOKALRHVEF-VIFPVBQESA-N -1 3 297.761 3.252 20 10 CGCDHM Cc1nc(C(C)(C)NCc2cc(Cl)c(C)cc2[O-])no1 ZINC000825222209 633336904 /nfs/dbraw/zinc/33/69/04/633336904.db2.gz BJYJSPPEYGIDJI-UHFFFAOYSA-N -1 3 295.770 3.070 20 10 CGCDHM Cc1nnc([C@H](C)NCc2cc(Cl)c(C)cc2[O-])s1 ZINC000825515258 633360669 /nfs/dbraw/zinc/36/06/69/633360669.db2.gz ZOXIMTXRGHSPDH-QMMMGPOBSA-N -1 3 297.811 3.365 20 10 CGCDHM CCc1ncc(CN[C@H](CC)c2ccc(F)cc2[O-])o1 ZINC000834899641 634276443 /nfs/dbraw/zinc/27/64/43/634276443.db2.gz LGFJBWXVQJHKOQ-CYBMUJFWSA-N -1 3 278.327 3.323 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H](C2CCC2)C1 ZINC000840955588 635093157 /nfs/dbraw/zinc/09/31/57/635093157.db2.gz WGFCLRIMDNCCSY-OAHLLOKOSA-N -1 3 281.783 3.047 20 10 CGCDHM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@@H](C)C1(F)F ZINC000877650934 635131884 /nfs/dbraw/zinc/13/18/84/635131884.db2.gz UVWVTSQJOILVIV-RKDXNWHRSA-N -1 3 291.288 3.394 20 10 CGCDHM CC(C)O[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843413409 635661679 /nfs/dbraw/zinc/66/16/79/635661679.db2.gz HWTAIZYBYVDOJD-GFCCVEGCSA-N -1 3 287.762 3.184 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@H]1C1CCC1 ZINC000843428864 635672366 /nfs/dbraw/zinc/67/23/66/635672366.db2.gz OCAKRNSCZPJZSH-AWEZNQCLSA-N -1 3 281.783 3.047 20 10 CGCDHM COc1c(C)cccc1CNCc1cc(F)cc(F)c1[O-] ZINC000883161828 636560218 /nfs/dbraw/zinc/56/02/18/636560218.db2.gz CADBUJZJBQHXCT-UHFFFAOYSA-N -1 3 293.313 3.277 20 10 CGCDHM C[C@H](N[C@@H](C)C(F)F)c1cc(Br)ccc1[O-] ZINC000883399208 636740308 /nfs/dbraw/zinc/74/03/08/636740308.db2.gz HJWKOZQYYZXMEB-BQBZGAKWSA-N -1 3 294.139 3.459 20 10 CGCDHM C[C@H](N[C@@H]1COCc2ccccc21)c1c([O-])cccc1F ZINC000886626709 637616286 /nfs/dbraw/zinc/61/62/86/637616286.db2.gz JCTRYJMQKYYCEG-XHDPSFHLSA-N -1 3 287.334 3.453 20 10 CGCDHM CCc1ccc(-c2nnc(-c3ccc(O)c(O)c3[O-])o2)cc1 ZINC001252952969 806139692 /nfs/dbraw/zinc/13/96/92/806139692.db2.gz BMNBHHHHIIGNCC-UHFFFAOYSA-N -1 3 298.298 3.083 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C)C2)c1[O-] ZINC000037322640 798866369 /nfs/dbraw/zinc/86/63/69/798866369.db2.gz OYSSWBCZQQORBG-JTQLQIEISA-N -1 3 281.783 3.480 20 10 CGCDHM CCOc1cccc(-c2noc(-c3cccc(O)c3[O-])n2)c1 ZINC000318371030 799245816 /nfs/dbraw/zinc/24/58/16/799245816.db2.gz ZQAORNQVSBXYJH-UHFFFAOYSA-N -1 3 298.298 3.214 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@@H]2C)c1[O-] ZINC000706808760 799967952 /nfs/dbraw/zinc/96/79/52/799967952.db2.gz VGSYVRAFYLFFLY-BDAKNGLRSA-N -1 3 267.756 3.088 20 10 CGCDHM C[C@@H]1N(Cc2cc(Cl)ccc2[O-])CCOC1(C)C ZINC000707700843 799978539 /nfs/dbraw/zinc/97/85/39/799978539.db2.gz PNENETKDIKJLHJ-JTQLQIEISA-N -1 3 269.772 3.045 20 10 CGCDHM [O-]c1c(F)cc(Br)cc1CN1CCCCC1 ZINC000715704615 800144449 /nfs/dbraw/zinc/14/44/49/800144449.db2.gz XTJIZWUKXRQPQL-UHFFFAOYSA-N -1 3 288.160 3.280 20 10 CGCDHM C[C@H](N[C@@H](C)c1c([O-])cccc1F)c1ccns1 ZINC000886643278 800545724 /nfs/dbraw/zinc/54/57/24/800545724.db2.gz PXHBGOJQTHTYGK-IUCAKERBSA-N -1 3 266.341 3.400 20 10 CGCDHM CN(CCC(=O)c1ccccc1)Cc1c([O-])cccc1F ZINC001137839099 803781428 /nfs/dbraw/zinc/78/14/28/803781428.db2.gz RAYQJFJIXVDYOX-UHFFFAOYSA-N -1 3 287.334 3.236 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CCC(F)(F)[C@@H](F)C1 ZINC001140462447 804441681 /nfs/dbraw/zinc/44/16/81/804441681.db2.gz GPSMWDSBVZXMIJ-NSHDSACASA-N -1 3 279.689 3.225 20 10 CGCDHM C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccccc1O ZINC001171723021 808125814 /nfs/dbraw/zinc/12/58/14/808125814.db2.gz JTDLIAYFSLLGOI-SECBINFHSA-N -1 3 291.734 3.242 20 10 CGCDHM CCCC[C@H](CC)C(=O)NCc1c([O-])cccc1F ZINC001178410607 809864687 /nfs/dbraw/zinc/86/46/87/809864687.db2.gz VUIQFDXRLIBHPZ-NSHDSACASA-N -1 3 267.344 3.364 20 10 CGCDHM CCCOC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233077439 818519739 /nfs/dbraw/zinc/51/97/39/818519739.db2.gz OMHIXJDJFDVPPZ-UHFFFAOYSA-N -1 3 285.334 3.061 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCC(C(F)(F)F)CC1 ZINC001233332140 818584922 /nfs/dbraw/zinc/58/49/22/818584922.db2.gz ABSHLSXYDDCMKL-UHFFFAOYSA-N -1 3 295.251 3.445 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](C(F)(F)F)C1 ZINC001233334309 818586644 /nfs/dbraw/zinc/58/66/44/818586644.db2.gz BKJYFMIHWDBDHC-ZETCQYMHSA-N -1 3 281.224 3.055 20 10 CGCDHM C[C@@H]1C[C@H](F)CN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415912 818614727 /nfs/dbraw/zinc/61/47/27/818614727.db2.gz NYWGHHSRNHZMJY-SCZZXKLOSA-N -1 3 277.261 3.343 20 10 CGCDHM CN(Cc1ccon1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454717 818623726 /nfs/dbraw/zinc/62/37/26/818623726.db2.gz HWIYYUIQQJTZAB-UHFFFAOYSA-N -1 3 286.253 3.031 20 10 CGCDHM C[C@@H]1CC[C@@H](O)CN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236793410 819597312 /nfs/dbraw/zinc/59/73/12/819597312.db2.gz KOUVOPKJIODOFF-PSASIEDQSA-N -1 3 290.190 3.044 20 10 CGCDHM C[C@@H]1CC[C@@H](O)CN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078784 819662500 /nfs/dbraw/zinc/66/25/00/819662500.db2.gz WYRNNTZVUPYBDW-RKDXNWHRSA-N -1 3 290.190 3.044 20 10 CGCDHM CCCO[C@@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125022 819672913 /nfs/dbraw/zinc/67/29/13/819672913.db2.gz QLKFJXZGQWPMQO-SNVBAGLBSA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@H]2CCCO[C@@H]2C1 ZINC001237124949 819673736 /nfs/dbraw/zinc/67/37/36/819673736.db2.gz SWMBDEHYLXSBRO-QMTHXVAHSA-N -1 3 299.773 3.186 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccnc(F)c1 ZINC001461670478 937590949 /nfs/dbraw/zinc/59/09/49/937590949.db2.gz VFEDPYTWPFKOBW-UHFFFAOYSA-N -1 3 284.693 3.009 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H]2[C@@H](C1)C2(F)F ZINC001462338826 937633925 /nfs/dbraw/zinc/63/39/25/937633925.db2.gz YBBNKEIFKSPSFF-DTWKUNHWSA-N -1 3 291.700 3.272 20 10 CGCDHM CC(C)CC(CC(C)C)NC(=O)c1cccc(O)c1[O-] ZINC001464915373 937696899 /nfs/dbraw/zinc/69/68/99/937696899.db2.gz JHGCZMKXJWHOEX-UHFFFAOYSA-N -1 3 279.380 3.288 20 10 CGCDHM O=C(Nc1ccc(F)c(C(F)F)c1)c1cccc(O)c1[O-] ZINC001471280016 937763797 /nfs/dbraw/zinc/76/37/97/937763797.db2.gz LEGXNSKVYHLXHG-UHFFFAOYSA-N -1 3 297.232 3.427 20 10 CGCDHM CC(C)c1ccc(O)c(CNCc2cc(C(=O)[O-])co2)c1 ZINC001591974153 976584963 /nfs/dbraw/zinc/58/49/63/976584963.db2.gz OUKJYKOTTWOJCV-UHFFFAOYSA-N -1 3 289.331 3.097 20 10 CGCDHM COc1cc(NCc2cccc(F)c2[O-])cc(OC)c1C ZINC000294031546 372559640 /nfs/dbraw/zinc/55/96/40/372559640.db2.gz VQZDTKQNQFEEQO-UHFFFAOYSA-N -1 3 291.322 3.469 20 10 CGCDHM Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)c([O-])c1O ZINC000181897593 374187709 /nfs/dbraw/zinc/18/77/09/374187709.db2.gz PBJBMEDDIVIEFJ-CMPLNLGQSA-N -1 3 277.364 3.057 20 10 CGCDHM CCC[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182597481 374295260 /nfs/dbraw/zinc/29/52/60/374295260.db2.gz CRMISBJUTRNQKQ-GFCCVEGCSA-N -1 3 277.364 3.059 20 10 CGCDHM C[C@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])c1ccccn1 ZINC000191182074 375590671 /nfs/dbraw/zinc/59/06/71/375590671.db2.gz NCMUZADMLSWBJC-UWVGGRQHSA-N -1 3 278.302 3.477 20 10 CGCDHM C[C@H](CN(C)C(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC000530040008 375937786 /nfs/dbraw/zinc/93/77/86/375937786.db2.gz SHSKVGYBXSEPKV-GFCCVEGCSA-N -1 3 291.391 3.386 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H]2OCCC[C@H]2C1 ZINC000248907888 377428008 /nfs/dbraw/zinc/42/80/08/377428008.db2.gz XFEYAXQVSREDKR-HZMBPMFUSA-N -1 3 299.773 3.186 20 10 CGCDHM Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(C)cc2[O-])s1 ZINC000274122033 378780109 /nfs/dbraw/zinc/78/01/09/378780109.db2.gz AUEXTJBDHWPSKA-VHSXEESVSA-N -1 3 277.393 3.272 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@]2(C1)CCCOC2 ZINC000375300734 379490099 /nfs/dbraw/zinc/49/00/99/379490099.db2.gz CJCMBSHIEFUAQD-OAHLLOKOSA-N -1 3 299.773 3.187 20 10 CGCDHM [O-]c1ccccc1CN1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000376163425 379524748 /nfs/dbraw/zinc/52/47/48/379524748.db2.gz BIKPHHNYPRONRW-AWEZNQCLSA-N -1 3 299.374 3.380 20 10 CGCDHM CSCCCN(C)Cc1c([O-])cccc1Cl ZINC000281291559 379828535 /nfs/dbraw/zinc/82/85/35/379828535.db2.gz PCPUQSSMNRQTIT-UHFFFAOYSA-N -1 3 259.802 3.231 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CCC(n2cccn2)CC1 ZINC000360466899 381551507 /nfs/dbraw/zinc/55/15/07/381551507.db2.gz OUZBLURHDWDQBF-UHFFFAOYSA-N -1 3 291.782 3.079 20 10 CGCDHM CC[C@H](C)[C@H](C)N(C(=O)c1ccc(C)c(O)c1[O-])C1CC1 ZINC000179482817 392702709 /nfs/dbraw/zinc/70/27/09/392702709.db2.gz WVFAZRJKNNHKBS-JQWIXIFHSA-N -1 3 291.391 3.445 20 10 CGCDHM Nc1cccc2c1CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC000038032514 174028634 /nfs/dbraw/zinc/02/86/34/174028634.db2.gz OTNSHVSLSHTMEQ-UHFFFAOYSA-N -1 3 288.778 3.186 20 10 CGCDHM Cc1ncsc1CNCc1cc(Cl)ccc1[O-] ZINC000071212498 176084468 /nfs/dbraw/zinc/08/44/68/176084468.db2.gz DVLRXXAUWVGBPH-UHFFFAOYSA-N -1 3 268.769 3.100 20 10 CGCDHM C[C@H](N[C@@H](C)c1ncccc1F)c1cc(F)ccc1[O-] ZINC000528036591 330302997 /nfs/dbraw/zinc/30/29/97/330302997.db2.gz UKCZUCYLVGZREQ-UWVGGRQHSA-N -1 3 278.302 3.477 20 10 CGCDHM C[C@H](Nc1ccc(CCO)cc1)c1ccc(F)cc1[O-] ZINC000062748029 525651452 /nfs/dbraw/zinc/65/14/52/525651452.db2.gz FEXQQWSXJBGKKT-NSHDSACASA-N -1 3 275.323 3.239 20 10 CGCDHM Cc1ccc(C(=O)N(C)C2CCC(F)(F)CC2)c([O-])c1O ZINC000291653410 526056283 /nfs/dbraw/zinc/05/62/83/526056283.db2.gz CZILOTGRMYUETO-UHFFFAOYSA-N -1 3 299.317 3.056 20 10 CGCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)[C@@H]1c1ccccc1 ZINC000743778880 572405017 /nfs/dbraw/zinc/40/50/17/572405017.db2.gz QFZQSLAWFPYCAO-HZMBPMFUSA-N -1 3 273.357 3.287 20 10 CGCDHM O=C(NC1(c2ccccc2)CCC1)c1cc([O-])cs1 ZINC000731872342 572431084 /nfs/dbraw/zinc/43/10/84/572431084.db2.gz GFWYYICBRDTUSC-UHFFFAOYSA-N -1 3 273.357 3.263 20 10 CGCDHM CCCC[C@@H](CC)CNC(=O)c1cc([O-])cs1 ZINC000731868057 572433035 /nfs/dbraw/zinc/43/30/35/572433035.db2.gz JVVAWANMPUTCRI-SNVBAGLBSA-N -1 3 255.383 3.400 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCc2c(Cl)cccc2C1 ZINC000740129330 572433193 /nfs/dbraw/zinc/43/31/93/572433193.db2.gz WDKIILSDGKVUDC-UHFFFAOYSA-N -1 3 293.775 3.306 20 10 CGCDHM O=C(NCCCC1CCCC1)c1cc([O-])cs1 ZINC000731868073 572434530 /nfs/dbraw/zinc/43/45/30/572434530.db2.gz KNFKTSPXZZWCRK-UHFFFAOYSA-N -1 3 253.367 3.154 20 10 CGCDHM O=C(Nc1ccc(N2CCCC2)cc1)c1cc([O-])cs1 ZINC000732264320 572455026 /nfs/dbraw/zinc/45/50/26/572455026.db2.gz PYNFGUJPJHGMQE-UHFFFAOYSA-N -1 3 288.372 3.306 20 10 CGCDHM O=C(NCc1ccc(F)c(Cl)c1)c1cc([O-])cs1 ZINC000732281723 572458136 /nfs/dbraw/zinc/45/81/36/572458136.db2.gz AYKRBRDQSULVLQ-UHFFFAOYSA-N -1 3 285.727 3.176 20 10 CGCDHM CCN1CCc2ccc(NC(=O)c3cc([O-])cs3)cc21 ZINC000732285394 572458390 /nfs/dbraw/zinc/45/83/90/572458390.db2.gz DICZOVDJGMVWTI-UHFFFAOYSA-N -1 3 288.372 3.088 20 10 CGCDHM CC(C)[C@H]1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732286761 572459201 /nfs/dbraw/zinc/45/92/01/572459201.db2.gz JEBZCQPCYVSRAQ-QWRGUYRKSA-N -1 3 267.394 3.398 20 10 CGCDHM CCn1nc(C)c(CNCc2c([O-])cccc2Cl)c1C ZINC000733327316 572556234 /nfs/dbraw/zinc/55/62/34/572556234.db2.gz SCKOOADOTAWKPE-UHFFFAOYSA-N -1 3 293.798 3.169 20 10 CGCDHM O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1cc([O-])cs1 ZINC000743655581 572676774 /nfs/dbraw/zinc/67/67/74/572676774.db2.gz UNFHAPMOFXPMGD-VXGBXAGGSA-N -1 3 265.378 3.152 20 10 CGCDHM CCS[C@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000750251537 573105130 /nfs/dbraw/zinc/10/51/30/573105130.db2.gz SDWSDIBPGRFJDM-QWRGUYRKSA-N -1 3 285.434 3.248 20 10 CGCDHM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000185789711 625441152 /nfs/dbraw/zinc/44/11/52/625441152.db2.gz FIUVVVBEPHDBLC-RYUDHWBXSA-N -1 3 285.343 3.020 20 10 CGCDHM [O-]c1c(Br)cccc1CNCc1ccco1 ZINC000042411480 620836027 /nfs/dbraw/zinc/83/60/27/620836027.db2.gz WHONUSHLXSASOC-UHFFFAOYSA-N -1 3 282.137 3.038 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1ccc(F)nc1 ZINC000157710196 622940670 /nfs/dbraw/zinc/94/06/70/622940670.db2.gz SNQHAUQXAZHEMS-UHFFFAOYSA-N -1 3 252.676 3.192 20 10 CGCDHM CN(Cc1ccccn1)Cc1cccc(Cl)c1[O-] ZINC000757891258 626812412 /nfs/dbraw/zinc/81/24/12/626812412.db2.gz XSIPUHUQPNMGOI-UHFFFAOYSA-N -1 3 262.740 3.073 20 10 CGCDHM CN(Cc1ccncc1)Cc1c([O-])cccc1Cl ZINC000757886178 626812704 /nfs/dbraw/zinc/81/27/04/626812704.db2.gz ACKUFTMSEZWUKS-UHFFFAOYSA-N -1 3 262.740 3.073 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1nnc(C(F)F)s1 ZINC000759088363 626873531 /nfs/dbraw/zinc/87/35/31/626873531.db2.gz DXEHZSWUKDSCCG-UHFFFAOYSA-N -1 3 291.710 3.447 20 10 CGCDHM C[C@H](N[C@@H](CO)c1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000769990666 627595520 /nfs/dbraw/zinc/59/55/20/627595520.db2.gz VVJYNLWLVMLXEA-SDBXPKJASA-N -1 3 299.342 3.116 20 10 CGCDHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c([O-])c1 ZINC000775408173 628091729 /nfs/dbraw/zinc/09/17/29/628091729.db2.gz XKEIRIOQRQCHBI-ZDUSSCGKSA-N -1 3 298.386 3.258 20 10 CGCDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000776615694 628223671 /nfs/dbraw/zinc/22/36/71/628223671.db2.gz OHMLPDVAXBEXTM-HNNXBMFYSA-N -1 3 285.343 3.225 20 10 CGCDHM Cc1cc(Br)c([O-])c(CN2[C@H](C)C[C@H]2C)c1 ZINC000793227276 629431892 /nfs/dbraw/zinc/43/18/92/629431892.db2.gz AXVFAKPPAITRJT-NXEZZACHSA-N -1 3 284.197 3.446 20 10 CGCDHM COc1cc(NCc2cccc(F)c2[O-])c(C)c(OC)c1 ZINC000800529208 630291027 /nfs/dbraw/zinc/29/10/27/630291027.db2.gz FANAPVKPTXUYQO-UHFFFAOYSA-N -1 3 291.322 3.469 20 10 CGCDHM CCOC1CC(N(C)Cc2c([O-])ccc(Cl)c2F)C1 ZINC000809774695 630804239 /nfs/dbraw/zinc/80/42/39/630804239.db2.gz XGYVVXMSLMVNSZ-UHFFFAOYSA-N -1 3 287.762 3.184 20 10 CGCDHM C[C@@H](NCc1ccon1)c1cccc(C(F)(F)F)c1[O-] ZINC000815585270 631801121 /nfs/dbraw/zinc/80/11/21/631801121.db2.gz CCJTZZLQFVXZGH-MRVPVSSYSA-N -1 3 286.253 3.250 20 10 CGCDHM [O-]c1c(CN2CCO[C@@H](C(F)F)C2)ccc2ccccc21 ZINC000816600330 632021291 /nfs/dbraw/zinc/02/12/91/632021291.db2.gz TVWSRSCRDXMWRA-CQSZACIVSA-N -1 3 293.313 3.011 20 10 CGCDHM CC1=CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816598935 632022012 /nfs/dbraw/zinc/02/20/12/632022012.db2.gz VYUYMNMCAWAIRO-UHFFFAOYSA-N -1 3 255.720 3.337 20 10 CGCDHM Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1[O-] ZINC000818631548 632343983 /nfs/dbraw/zinc/34/39/83/632343983.db2.gz IXOGQOBYRJOQMK-ZANVPECISA-N -1 3 297.782 3.039 20 10 CGCDHM Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1[O-] ZINC000818631548 632343990 /nfs/dbraw/zinc/34/39/90/632343990.db2.gz IXOGQOBYRJOQMK-ZANVPECISA-N -1 3 297.782 3.039 20 10 CGCDHM CCn1ccnc1[C@@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000825005401 633316635 /nfs/dbraw/zinc/31/66/35/633316635.db2.gz JNAJYFQHMCVCEN-SECBINFHSA-N -1 3 297.761 3.252 20 10 CGCDHM CCn1ccnc1[C@H](C)NCc1c([O-])cccc1Cl ZINC000825005344 633316955 /nfs/dbraw/zinc/31/69/55/633316955.db2.gz HXQGHKRGRBAXQH-JTQLQIEISA-N -1 3 279.771 3.113 20 10 CGCDHM CCCc1ncc(CNCc2cc(Cl)c(F)cc2[O-])o1 ZINC000825086149 633326778 /nfs/dbraw/zinc/32/67/78/633326778.db2.gz PZLGCPGYBXJGMF-UHFFFAOYSA-N -1 3 298.745 3.415 20 10 CGCDHM Cc1cc([O-])c(CNC(C)(C)C(F)F)cc1Cl ZINC000825738219 633379256 /nfs/dbraw/zinc/37/92/56/633379256.db2.gz KPSCOYXKAPGYEL-UHFFFAOYSA-N -1 3 263.715 3.487 20 10 CGCDHM CCc1nc(CN[C@H](C)c2cc(Cl)ccc2[O-])co1 ZINC000834898160 634274317 /nfs/dbraw/zinc/27/43/17/634274317.db2.gz JSCVAQJCZJJHOE-SECBINFHSA-N -1 3 280.755 3.447 20 10 CGCDHM CCn1ccnc1[C@H](C)N[C@@H](C)c1ccc(F)cc1[O-] ZINC000834897283 634274469 /nfs/dbraw/zinc/27/44/69/634274469.db2.gz ZNRCHWZKFYQEQG-QWRGUYRKSA-N -1 3 277.343 3.160 20 10 CGCDHM [O-]c1c(CN[C@@H]2COCc3ccccc32)ccc(F)c1F ZINC000877592168 635104988 /nfs/dbraw/zinc/10/49/88/635104988.db2.gz FHMXNLHCAGHAHX-CQSZACIVSA-N -1 3 291.297 3.032 20 10 CGCDHM C[C@@H](N[C@H](CO)c1cccc(F)c1)c1c([O-])cccc1F ZINC000886548141 637575952 /nfs/dbraw/zinc/57/59/52/637575952.db2.gz XWKSKYNKICCJJX-QMTHXVAHSA-N -1 3 293.313 3.055 20 10 CGCDHM C[C@@H](Nc1cnn(CC2CC2)c1)c1c([O-])cccc1F ZINC000886578038 637588758 /nfs/dbraw/zinc/58/87/58/637588758.db2.gz HBWURBGGAQYBTB-SNVBAGLBSA-N -1 3 275.327 3.311 20 10 CGCDHM C[C@@H](N[C@@H](C)c1cscn1)c1c([O-])cccc1F ZINC000886636905 637622740 /nfs/dbraw/zinc/62/27/40/637622740.db2.gz XQVZEOZARYXSGL-DTWKUNHWSA-N -1 3 266.341 3.400 20 10 CGCDHM CCC(F)(F)CNCc1cc(Br)ccc1[O-] ZINC000829300565 638215926 /nfs/dbraw/zinc/21/59/26/638215926.db2.gz MFTJUIQETLUZDB-UHFFFAOYSA-N -1 3 294.139 3.290 20 10 CGCDHM C/C=C(/C=C/C(=O)NCc1c([O-])cccc1F)CC ZINC000928705812 638889356 /nfs/dbraw/zinc/88/93/56/638889356.db2.gz NMNOSTPLVWXGEX-NGOBVPNHSA-N -1 3 263.312 3.060 20 10 CGCDHM CCCCS[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928712663 638889643 /nfs/dbraw/zinc/88/96/43/638889643.db2.gz VOUPTZHXTJJRIX-SNVBAGLBSA-N -1 3 285.384 3.069 20 10 CGCDHM CC(C)(NCc1cc(F)cc(F)c1[O-])c1nccs1 ZINC000708550979 799992537 /nfs/dbraw/zinc/99/25/37/799992537.db2.gz ZMIVUPMPEXKBQS-UHFFFAOYSA-N -1 3 284.331 3.152 20 10 CGCDHM CN(Cc1cccs1)Cc1c([O-])cccc1F ZINC001137837302 803779295 /nfs/dbraw/zinc/77/92/95/803779295.db2.gz AMNPYGURHRXHSM-UHFFFAOYSA-N -1 3 251.326 3.225 20 10 CGCDHM CC(C)[C@H]1CCC[C@H](NC(=O)c2cccc(O)c2[O-])CC1 ZINC001138507897 803953886 /nfs/dbraw/zinc/95/38/86/803953886.db2.gz MSPTWHQLIOCROI-STQMWFEESA-N -1 3 291.391 3.433 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCc2ncc(Cl)cc2C1 ZINC001140060053 804365486 /nfs/dbraw/zinc/36/54/86/804365486.db2.gz ITUGLTFVCWRMFK-UHFFFAOYSA-N -1 3 292.741 3.138 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCC[C@H]1c1ncccn1 ZINC001140342359 804419375 /nfs/dbraw/zinc/41/93/75/804419375.db2.gz GCWRGWRKWSXJES-ZDUSSCGKSA-N -1 3 289.766 3.173 20 10 CGCDHM CCCCN(CC(=O)OCC)Cc1c([O-])cccc1Cl ZINC001140341699 804420816 /nfs/dbraw/zinc/42/08/16/804420816.db2.gz CZWUMFUQKCZFLR-UHFFFAOYSA-N -1 3 299.798 3.211 20 10 CGCDHM C[C@H](C(=O)NCc1c([O-])cccc1F)c1ccsc1 ZINC001178412992 809865036 /nfs/dbraw/zinc/86/50/36/809865036.db2.gz JQIDRHQMVWKRLO-VIFPVBQESA-N -1 3 279.336 3.013 20 10 CGCDHM CC(C)Nc1ccc(Nc2ccc(C(N)=O)c([O-])c2)cc1 ZINC001201505504 811874092 /nfs/dbraw/zinc/87/40/92/811874092.db2.gz NYUCIDZHIASJMZ-UHFFFAOYSA-N -1 3 285.347 3.055 20 10 CGCDHM CCc1cccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1 ZINC001215327551 815507344 /nfs/dbraw/zinc/50/73/44/815507344.db2.gz HWBUHVKBELMWTC-UHFFFAOYSA-N -1 3 298.298 3.083 20 10 CGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCCC[C@@H]1CO ZINC001203571193 812395904 /nfs/dbraw/zinc/39/59/04/812395904.db2.gz JNJCRHCPWPWPOG-LLVKDONJSA-N -1 3 290.190 3.046 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001231564965 818123851 /nfs/dbraw/zinc/12/38/51/818123851.db2.gz LSRBATKIWZYWIB-OCCSQVGLSA-N -1 3 289.375 3.103 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001231564965 818123855 /nfs/dbraw/zinc/12/38/55/818123855.db2.gz LSRBATKIWZYWIB-OCCSQVGLSA-N -1 3 289.375 3.103 20 10 CGCDHM CCOC(=O)CN(C)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234998179 818973259 /nfs/dbraw/zinc/97/32/59/818973259.db2.gz GPUSNSCJPVIQCJ-UHFFFAOYSA-N -1 3 299.370 3.054 20 10 CGCDHM CCO[C@H]1CCCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236806857 819602553 /nfs/dbraw/zinc/60/25/53/819602553.db2.gz ATMDIKOQBLBBCS-LBPRGKRZSA-N -1 3 299.798 3.055 20 10 CGCDHM COC[C@@H]1CCCCN1Cc1c([O-])ccc(F)c1Cl ZINC001237122125 819672497 /nfs/dbraw/zinc/67/24/97/819672497.db2.gz SERURHLVXTYFST-JTQLQIEISA-N -1 3 287.762 3.186 20 10 CGCDHM CO[C@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])[C@@H](C)C1 ZINC001237801863 819844582 /nfs/dbraw/zinc/84/45/82/819844582.db2.gz JFEUGGFSRWZVPA-CABZTGNLSA-N -1 3 287.762 3.184 20 10 CGCDHM CC[C@H](C)C[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001312086027 933335689 /nfs/dbraw/zinc/33/56/89/933335689.db2.gz GVKKUUMMOFNDPB-QWRGUYRKSA-N -1 3 282.359 3.155 20 10 CGCDHM Cc1ccc(C)c(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001465175980 937698752 /nfs/dbraw/zinc/69/87/52/937698752.db2.gz PJCBFJBUDSOUPA-UHFFFAOYSA-N -1 3 288.322 3.470 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1ccc2ccncc2c1 ZINC001471975652 937771255 /nfs/dbraw/zinc/77/12/55/937771255.db2.gz BNDWOBWGICAKNS-UHFFFAOYSA-N -1 3 296.301 3.010 20 10 CGCDHM CCOc1ncccc1CN[C@@H](C)c1c([O-])cccc1F ZINC001331255227 935362279 /nfs/dbraw/zinc/36/22/79/935362279.db2.gz UZCPSBRCDOOQMC-NSHDSACASA-N -1 3 290.338 3.176 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H]2[C@H](C1)C2(F)F ZINC001474572617 937868129 /nfs/dbraw/zinc/86/81/29/937868129.db2.gz WKWQILROASRALW-ZJUUUORDSA-N -1 3 291.700 3.272 20 10 CGCDHM C[C@@H]1CC(NC(=O)NCc2c([O-])cccc2F)C[C@@H](C)C1 ZINC001477964879 937900256 /nfs/dbraw/zinc/90/02/56/937900256.db2.gz VAPKGUBFWUENNB-QWRGUYRKSA-N -1 3 294.370 3.155 20 10 CGCDHM Cc1cccc2ncnc(NCc3c([O-])cccc3F)c12 ZINC001559284922 938224472 /nfs/dbraw/zinc/22/44/72/938224472.db2.gz WRHZGWXLXRBVBT-UHFFFAOYSA-N -1 3 283.306 3.395 20 10 CGCDHM CC[C@]1(C)CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC001560761565 938274530 /nfs/dbraw/zinc/27/45/30/938274530.db2.gz JTZBMKSRASGUCO-OAHLLOKOSA-N -1 3 283.799 3.355 20 10 CGCDHM CC[C@H](NC(=O)NCc1c([O-])cccc1F)[C@@H]1CC1(C)C ZINC001564951654 960710693 /nfs/dbraw/zinc/71/06/93/960710693.db2.gz BAUGJXSOIUEXBN-AAEUAGOBSA-N -1 3 294.370 3.155 20 10 CGCDHM CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC001595362819 980775104 /nfs/dbraw/zinc/77/51/04/980775104.db2.gz PWLKQVSVBAJOGH-MRXNPFEDSA-N -1 3 299.370 3.430 20 10 CGCDHM CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC001595362819 980775105 /nfs/dbraw/zinc/77/51/05/980775105.db2.gz PWLKQVSVBAJOGH-MRXNPFEDSA-N -1 3 299.370 3.430 20 10 CGCDHM CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])[C@H](C)CC ZINC001595747638 982415176 /nfs/dbraw/zinc/41/51/76/982415176.db2.gz HFYTYTUTBDKQAR-CZUORRHYSA-N -1 3 293.407 3.494 20 10 CGCDHM CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])[C@H](C)CC ZINC001595747638 982415181 /nfs/dbraw/zinc/41/51/81/982415181.db2.gz HFYTYTUTBDKQAR-CZUORRHYSA-N -1 3 293.407 3.494 20 10 CGCDHM C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593224845 994343128 /nfs/dbraw/zinc/34/31/28/994343128.db2.gz RTZMHYUMHFRPJK-IINYFYTJSA-N -1 3 277.364 3.320 20 10 CGCDHM C[C@@H]([NH2+]C[C@H]1CCCCS1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257762 994536092 /nfs/dbraw/zinc/53/60/92/994536092.db2.gz SWWAOCCCNCCWIP-ZYHUDNBSSA-N -1 3 295.404 3.027 20 10 CGCDHM CCc1nc(CN(C)Cc2ccccc2[O-])cs1 ZINC000111236457 370395035 /nfs/dbraw/zinc/39/50/35/370395035.db2.gz DDMNBWXBEZGPGD-UHFFFAOYSA-N -1 3 262.378 3.043 20 10 CGCDHM CN(C)c1cccc(CNCc2c([O-])cccc2Cl)c1 ZINC000113335456 370471485 /nfs/dbraw/zinc/47/14/85/370471485.db2.gz CFFKPOBCKFMGNF-UHFFFAOYSA-N -1 3 290.794 3.401 20 10 CGCDHM CSCc1cnc(CNCc2ccccc2[O-])s1 ZINC000293681718 372447723 /nfs/dbraw/zinc/44/77/23/372447723.db2.gz VQLOIYDXNFSCDI-UHFFFAOYSA-N -1 3 280.418 3.002 20 10 CGCDHM Cc1cc(Cl)cc(CN(C)Cc2cscn2)c1[O-] ZINC000179865881 373930406 /nfs/dbraw/zinc/93/04/06/373930406.db2.gz JXRIHXCAYQRCNF-UHFFFAOYSA-N -1 3 282.796 3.443 20 10 CGCDHM CC[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000182463736 374277462 /nfs/dbraw/zinc/27/74/62/374277462.db2.gz WHRDNOHRGTXHBX-LBPRGKRZSA-N -1 3 277.364 3.059 20 10 CGCDHM CN(C(=O)c1cccc(O)c1[O-])C1CCCCCCC1 ZINC000188332592 375199265 /nfs/dbraw/zinc/19/92/65/375199265.db2.gz IAUSBULELUTKKO-UHFFFAOYSA-N -1 3 277.364 3.283 20 10 CGCDHM C[C@H]1CCN(C(=O)/C=C\c2cccnc2)c2c([O-])cccc21 ZINC000492612483 375447629 /nfs/dbraw/zinc/44/76/29/375447629.db2.gz AQBDLKSJEYOYCV-WSROAFLRSA-N -1 3 294.354 3.341 20 10 CGCDHM CCOc1ccc(NCc2cc(F)ccc2[O-])cc1CO ZINC000226581638 376364792 /nfs/dbraw/zinc/36/47/92/376364792.db2.gz GBOAJFSEBIBANR-UHFFFAOYSA-N -1 3 291.322 3.034 20 10 CGCDHM Cc1nnc([C@H](C)N[C@H](C)c2ccc(F)cc2[O-])s1 ZINC000274262699 378800605 /nfs/dbraw/zinc/80/06/05/378800605.db2.gz VCCUMNJFAPYGAX-SFYZADRCSA-N -1 3 281.356 3.103 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCC[C@H]1c1nccs1 ZINC000378492628 379832047 /nfs/dbraw/zinc/83/20/47/379832047.db2.gz HIELIZQSIDYXRH-LBPRGKRZSA-N -1 3 278.352 3.325 20 10 CGCDHM Cc1csc(CNCc2cccc(Cl)c2[O-])n1 ZINC000124693174 392435573 /nfs/dbraw/zinc/43/55/73/392435573.db2.gz QYMVCPYCPHAGNX-UHFFFAOYSA-N -1 3 268.769 3.100 20 10 CGCDHM CN(Cc1c([O-])cccc1Cl)C[C@@H]1CCCCO1 ZINC000132604171 392461621 /nfs/dbraw/zinc/46/16/21/392461621.db2.gz SGVMQTITSOJTCO-NSHDSACASA-N -1 3 269.772 3.047 20 10 CGCDHM Cc1ccc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)c([O-])c1O ZINC000177686525 392666184 /nfs/dbraw/zinc/66/61/84/392666184.db2.gz MFMUNSOJDVZYPX-BZPMIXESSA-N -1 3 289.375 3.199 20 10 CGCDHM Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)c([O-])c1O ZINC000179525186 392702596 /nfs/dbraw/zinc/70/25/96/392702596.db2.gz ULYPMOXAUXGEAU-IUODEOHRSA-N -1 3 297.354 3.239 20 10 CGCDHM Cc1ccc(C(=O)N2C[C@@H](C)[C@H]2c2ccccc2)c([O-])c1O ZINC000179525211 261793631 /nfs/dbraw/zinc/79/36/31/261793631.db2.gz ULYPMOXAUXGEAU-DOMZBBRYSA-N -1 3 297.354 3.239 20 10 CGCDHM CCN(Cc1ccncc1)Cc1c([O-])cccc1Cl ZINC000289728023 263111672 /nfs/dbraw/zinc/11/16/72/263111672.db2.gz HRCQGRKTNJPNCR-UHFFFAOYSA-N -1 3 276.767 3.463 20 10 CGCDHM C[C@H](N[C@@H](C)c1ncccc1F)c1ccc(F)cc1[O-] ZINC000528036660 330302896 /nfs/dbraw/zinc/30/28/96/330302896.db2.gz WXUFRMKZUVTSOK-UWVGGRQHSA-N -1 3 278.302 3.477 20 10 CGCDHM CCN(Cc1cc(F)cc(C(C)=O)c1[O-])CC(F)(F)F ZINC000042774561 521289641 /nfs/dbraw/zinc/28/96/41/521289641.db2.gz BGUOPXBOOKZHDI-UHFFFAOYSA-N -1 3 293.260 3.118 20 10 CGCDHM COC[C@H](NCc1cc(Cl)c(F)cc1[O-])c1ccco1 ZINC000293547789 522748690 /nfs/dbraw/zinc/74/86/90/522748690.db2.gz GSXNUJIZMMLUTJ-LBPRGKRZSA-N -1 3 299.729 3.255 20 10 CGCDHM COCc1nc(CN[C@@H](C)c2ccc(C)cc2[O-])cs1 ZINC000289717065 523203426 /nfs/dbraw/zinc/20/34/26/523203426.db2.gz JKSOUDJCPSDDNC-NSHDSACASA-N -1 3 292.404 3.154 20 10 CGCDHM Cc1ncc(CN[C@H](C)c2ccc(F)cc2[O-])s1 ZINC000062748067 527277597 /nfs/dbraw/zinc/27/75/97/527277597.db2.gz ANUCDJHDPOYLGL-MRVPVSSYSA-N -1 3 266.341 3.147 20 10 CGCDHM CN(Cc1ccc(Cl)cc1)C(=O)c1cc([O-])cs1 ZINC000731864290 572430255 /nfs/dbraw/zinc/43/02/55/572430255.db2.gz TXNAVLAREBMICB-UHFFFAOYSA-N -1 3 281.764 3.379 20 10 CGCDHM O=C(Nc1nc(-c2ccco2)cs1)c1cc([O-])cs1 ZINC000731869336 572434020 /nfs/dbraw/zinc/43/40/20/572434020.db2.gz FBQQCZSVTOOQLF-UHFFFAOYSA-N -1 3 292.341 3.423 20 10 CGCDHM Cc1cc(N(C)C)ccc1NC(=O)c1cc([O-])cs1 ZINC000731869397 572434335 /nfs/dbraw/zinc/43/43/35/572434335.db2.gz GQLHSTKUXHDFAD-UHFFFAOYSA-N -1 3 276.361 3.080 20 10 CGCDHM O=C(NC[C@H]1CCCc2ccccc21)c1cc([O-])cs1 ZINC000732268485 572456003 /nfs/dbraw/zinc/45/60/03/572456003.db2.gz LYDDUXQSSMUYKM-GFCCVEGCSA-N -1 3 287.384 3.304 20 10 CGCDHM CC(C)CCOC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732273257 572457102 /nfs/dbraw/zinc/45/71/02/572457102.db2.gz ZKBJUJASYSRBFP-UHFFFAOYSA-N -1 3 297.420 3.121 20 10 CGCDHM Cn1ccc2c1cccc2NC(=O)c1cc([O-])cs1 ZINC000732282441 572458164 /nfs/dbraw/zinc/45/81/64/572458164.db2.gz GLMNGPWYDDGVSM-UHFFFAOYSA-N -1 3 272.329 3.198 20 10 CGCDHM O=C(Nc1cc(C2CCCC2)[nH]n1)c1cc([O-])cs1 ZINC000740926803 572468804 /nfs/dbraw/zinc/46/88/04/572468804.db2.gz JTMUBMUNUAQTJP-UHFFFAOYSA-N -1 3 277.349 3.087 20 10 CGCDHM CCc1ccc(CCOC(=O)c2cc([O-])cs2)cc1 ZINC000734585656 572668798 /nfs/dbraw/zinc/66/87/98/572668798.db2.gz KBSAJSLPGCVNNG-UHFFFAOYSA-N -1 3 276.357 3.416 20 10 CGCDHM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cc([O-])cs1 ZINC000736727930 572807150 /nfs/dbraw/zinc/80/71/50/572807150.db2.gz XIJUBKLHWNCRLM-AWEZNQCLSA-N -1 3 287.384 3.205 20 10 CGCDHM CC[C@@H](N[C@H](C)c1csnn1)c1ccc(F)cc1[O-] ZINC000840886431 618888147 /nfs/dbraw/zinc/88/81/47/618888147.db2.gz VYHXABKGDKFLNH-LDYMZIIASA-N -1 3 281.356 3.185 20 10 CGCDHM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000197338633 619156541 /nfs/dbraw/zinc/15/65/41/619156541.db2.gz OWFZWRIOKSLMDL-UHFFFAOYSA-N -1 3 289.356 3.144 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@@H](OC2CCC2)C1 ZINC000895185681 619772806 /nfs/dbraw/zinc/77/28/06/619772806.db2.gz CCWHWGQSDMWCJO-CQSZACIVSA-N -1 3 297.345 3.204 20 10 CGCDHM CC1=C(C)C[C@@H](C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928705621 620207710 /nfs/dbraw/zinc/20/77/10/620207710.db2.gz KHXSZZYGZDQEKV-LBPRGKRZSA-N -1 3 277.339 3.284 20 10 CGCDHM CC1=CC[C@](C)(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928710044 620208234 /nfs/dbraw/zinc/20/82/34/620208234.db2.gz GNOJLAJRQIKFBP-INIZCTEOSA-N -1 3 277.339 3.284 20 10 CGCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c(C)c1 ZINC000045929075 622907505 /nfs/dbraw/zinc/90/75/05/622907505.db2.gz KZGRFZUTWCGVDM-UHFFFAOYSA-N -1 3 291.372 3.118 20 10 CGCDHM Cc1ccc(C(=O)Nc2cccc3[nH]ccc32)c([O-])c1O ZINC000182289470 624975583 /nfs/dbraw/zinc/97/55/83/624975583.db2.gz PIMWOZTYGHZXLJ-UHFFFAOYSA-N -1 3 282.299 3.140 20 10 CGCDHM CCC(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000182847277 625033443 /nfs/dbraw/zinc/03/34/43/625033443.db2.gz NGOOFXUBHVZXAI-UHFFFAOYSA-N -1 3 299.326 3.251 20 10 CGCDHM Cc1cc([O-])c(CNCC(F)(F)F)c(Cl)c1 ZINC000840874314 635069890 /nfs/dbraw/zinc/06/98/90/635069890.db2.gz YFKXGWYMTHNIBW-UHFFFAOYSA-N -1 3 253.651 3.006 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN[C@H](c1ncccn1)C1CC1 ZINC000922578945 626015205 /nfs/dbraw/zinc/01/52/05/626015205.db2.gz FYDFNEZVVPVQQP-AWEZNQCLSA-N -1 3 289.766 3.077 20 10 CGCDHM C[C@H](NCc1cn2ccsc2n1)c1ccc(F)cc1[O-] ZINC000756455427 626707206 /nfs/dbraw/zinc/70/72/06/626707206.db2.gz KSJMITIBKOSGDW-VIFPVBQESA-N -1 3 291.351 3.091 20 10 CGCDHM C/C=C\C[C@H](NCc1cc(Cl)ccc1[O-])C(=O)OCC ZINC000763361903 627153877 /nfs/dbraw/zinc/15/38/77/627153877.db2.gz NEMJXNVGQGMDSQ-DXTPNHAXSA-N -1 3 297.782 3.033 20 10 CGCDHM CC[C@@H](Nc1ccc(OC)nc1)c1ccc(F)cc1[O-] ZINC000796857216 629849337 /nfs/dbraw/zinc/84/93/37/629849337.db2.gz RBSHSZSMFIEDOB-CYBMUJFWSA-N -1 3 276.311 3.498 20 10 CGCDHM CC[C@H](Nc1ccc(OC)cn1)c1ccc(F)cc1[O-] ZINC000796892734 629854473 /nfs/dbraw/zinc/85/44/73/629854473.db2.gz ZDYLDNROQCMNQO-ZDUSSCGKSA-N -1 3 276.311 3.498 20 10 CGCDHM CC[C@H](NCc1ccn(C)n1)c1cccc(Cl)c1[O-] ZINC000806149572 630549714 /nfs/dbraw/zinc/54/97/14/630549714.db2.gz FYNSHZZCTKRPJY-ZDUSSCGKSA-N -1 3 279.771 3.020 20 10 CGCDHM CC[C@@H]1CCN1Cc1cccc(Br)c1[O-] ZINC000814178826 631539382 /nfs/dbraw/zinc/53/93/82/631539382.db2.gz DWMSGCZRKLZDDR-SNVBAGLBSA-N -1 3 270.170 3.139 20 10 CGCDHM CN(Cc1ccon1)Cc1ccc2ccccc2c1[O-] ZINC000816514404 632000188 /nfs/dbraw/zinc/00/01/88/632000188.db2.gz WXAKUNNLMLSXIU-UHFFFAOYSA-N -1 3 268.316 3.165 20 10 CGCDHM C[C@@H]1CC[C@H](O)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000817414850 632145388 /nfs/dbraw/zinc/14/53/88/632145388.db2.gz PFJQJKBHNKQYJI-KCJUWKMLSA-N -1 3 290.190 3.044 20 10 CGCDHM Cc1cc(Cl)cc(C[NH2+]C[C@H](CC(C)C)C(=O)[O-])c1[O-] ZINC000818630455 632343771 /nfs/dbraw/zinc/34/37/71/632343771.db2.gz GPAPVUQAGHFICK-LBPRGKRZSA-N -1 3 299.798 3.191 20 10 CGCDHM C[C@@H]1C[C@H](NCc2cccc(Cl)c2[O-])c2nccn21 ZINC000825017586 633318774 /nfs/dbraw/zinc/31/87/74/633318774.db2.gz VLXFSQWKYFAPGD-SKDRFNHKSA-N -1 3 277.755 3.038 20 10 CGCDHM C[C@H]1C[C@@H](NCc2c([O-])cccc2Cl)c2nccn21 ZINC000825017554 633318827 /nfs/dbraw/zinc/31/88/27/633318827.db2.gz ULSHAYKUZVPOCN-JOYOIKCWSA-N -1 3 277.755 3.038 20 10 CGCDHM CCCc1ncc(CNCc2c([O-])ccc(Cl)c2F)o1 ZINC000825085040 633326902 /nfs/dbraw/zinc/32/69/02/633326902.db2.gz IXRDIQNZYRIWLZ-UHFFFAOYSA-N -1 3 298.745 3.415 20 10 CGCDHM [O-]c1c(Cl)cccc1CNCc1cnc(C2CC2)o1 ZINC000825175783 633334602 /nfs/dbraw/zinc/33/46/02/633334602.db2.gz BHUHIMWEYAOWKD-UHFFFAOYSA-N -1 3 278.739 3.201 20 10 CGCDHM Cc1noc(C(C)(C)NCc2cc(Cl)c(C)cc2[O-])n1 ZINC000825833438 633383257 /nfs/dbraw/zinc/38/32/57/633383257.db2.gz CFQBYTILKZIWBV-UHFFFAOYSA-N -1 3 295.770 3.070 20 10 CGCDHM Cc1nccnc1[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000872131831 634052217 /nfs/dbraw/zinc/05/22/17/634052217.db2.gz AHPXMJQKHBUEAW-PSASIEDQSA-N -1 3 293.317 3.181 20 10 CGCDHM C[C@@H](c1ccncc1)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000877317616 635024762 /nfs/dbraw/zinc/02/47/62/635024762.db2.gz UXUREYSYWVXIQK-JTQLQIEISA-N -1 3 278.302 3.258 20 10 CGCDHM C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877486033 635056362 /nfs/dbraw/zinc/05/63/62/635056362.db2.gz CLPNSUHTKFRPHH-APPZFPTMSA-N -1 3 295.251 3.443 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@]2(CC2(F)F)C1 ZINC000846116849 636146755 /nfs/dbraw/zinc/14/67/55/636146755.db2.gz LNHUUWVAEABUQU-LBPRGKRZSA-N -1 3 291.700 3.416 20 10 CGCDHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928708386 638889182 /nfs/dbraw/zinc/88/91/82/638889182.db2.gz KLMHSFAQLQGLTG-GOPGUHFVSA-N -1 3 299.345 3.197 20 10 CGCDHM Cc1nc(CNCc2cc(Cl)ccc2[O-])cs1 ZINC000041010365 639898416 /nfs/dbraw/zinc/89/84/16/639898416.db2.gz ZSMSQJKAQFZVSW-UHFFFAOYSA-N -1 3 268.769 3.100 20 10 CGCDHM Cc1ccc([C@H](C)N(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000192975839 640422428 /nfs/dbraw/zinc/42/24/28/640422428.db2.gz KISTUUYFDGLLSH-LBPRGKRZSA-N -1 3 285.343 3.239 20 10 CGCDHM CCCOc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000192984819 640423409 /nfs/dbraw/zinc/42/34/09/640423409.db2.gz GTHUOLAWPBWOSF-UHFFFAOYSA-N -1 3 287.315 3.139 20 10 CGCDHM O=C(Nc1ccc(OCC2CC2)cc1)c1cccc(O)c1[O-] ZINC000193067654 640429680 /nfs/dbraw/zinc/42/96/80/640429680.db2.gz XTGWVOBLYYLTJY-UHFFFAOYSA-N -1 3 299.326 3.139 20 10 CGCDHM C[C@H]1CCCC[C@H]1CC(=O)NCc1c([O-])cccc1F ZINC001156170129 805662163 /nfs/dbraw/zinc/66/21/63/805662163.db2.gz HMCNTCPITQGDES-RYUDHWBXSA-N -1 3 279.355 3.364 20 10 CGCDHM [O-]c1c(O)cccc1-c1nnc([C@H]2C[C@@H]2c2ccccc2)o1 ZINC001254512921 806432532 /nfs/dbraw/zinc/43/25/32/806432532.db2.gz LXWJKVXDZSIPAD-OLZOCXBDSA-N -1 3 294.310 3.419 20 10 CGCDHM Cc1noc(C)c1[C@@H](C)NCc1ccc(F)c(F)c1[O-] ZINC000703342439 799923497 /nfs/dbraw/zinc/92/34/97/799923497.db2.gz WFDHIMVECHKUFA-SSDOTTSWSA-N -1 3 282.290 3.126 20 10 CGCDHM C[C@H](NCc1ncc(Cl)s1)c1ccc(F)cc1[O-] ZINC000719401883 800238457 /nfs/dbraw/zinc/23/84/57/800238457.db2.gz LMEXVBMEURCJPB-ZETCQYMHSA-N -1 3 286.759 3.492 20 10 CGCDHM [O-]c1ccc(F)cc1CN1Cc2ccc(F)cc2C1 ZINC001140055307 804362270 /nfs/dbraw/zinc/36/22/70/804362270.db2.gz QXHCFUQWWFBSOJ-UHFFFAOYSA-N -1 3 261.271 3.186 20 10 CGCDHM C[C@]1(F)CCN(Cc2c([O-])cccc2Cl)C[C@H]1F ZINC001140338063 804418585 /nfs/dbraw/zinc/41/85/85/804418585.db2.gz TUSLGUXWBZIMOC-OLZOCXBDSA-N -1 3 275.726 3.318 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC(OC2CCC2)CC1 ZINC001142509046 804727721 /nfs/dbraw/zinc/72/77/21/804727721.db2.gz VKERZRXUFQDPIE-UHFFFAOYSA-N -1 3 297.345 3.204 20 10 CGCDHM CC(C)=CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001143928312 804908330 /nfs/dbraw/zinc/90/83/30/804908330.db2.gz AISZJNOGJSSWGG-UHFFFAOYSA-N -1 3 290.750 3.176 20 10 CGCDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)c1 ZINC001256946217 807013040 /nfs/dbraw/zinc/01/30/40/807013040.db2.gz NGNWMEQDKOHRQL-UHFFFAOYSA-N -1 3 291.372 3.118 20 10 CGCDHM CNC(=O)c1ccc(NCc2ccc(Cl)cc2[O-])cc1 ZINC001181296782 810046606 /nfs/dbraw/zinc/04/66/06/810046606.db2.gz DDPZMBMAFRALOT-UHFFFAOYSA-N -1 3 290.750 3.017 20 10 CGCDHM Cc1cc(F)ccc1NC(=O)NCc1c([O-])cccc1F ZINC001214410935 815406089 /nfs/dbraw/zinc/40/60/89/815406089.db2.gz XITAXHRSBKVROE-UHFFFAOYSA-N -1 3 292.285 3.301 20 10 CGCDHM CC[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@@H](C)O1 ZINC001204899893 812769288 /nfs/dbraw/zinc/76/92/88/812769288.db2.gz UMFPWBOIJLGSIK-YPMHNXCESA-N -1 3 283.799 3.353 20 10 CGCDHM COc1cc([O-])c(CN(C)Cc2cncs2)cc1Cl ZINC001232269078 818301094 /nfs/dbraw/zinc/30/10/94/818301094.db2.gz QNKKANUFHZJSJZ-UHFFFAOYSA-N -1 3 298.795 3.143 20 10 CGCDHM CN(Cc1ccc(C(F)(F)F)cc1[O-])CC(F)F ZINC001233455878 818624662 /nfs/dbraw/zinc/62/46/62/818624662.db2.gz CHGLSWYGBSGUDP-UHFFFAOYSA-N -1 3 269.213 3.108 20 10 CGCDHM C[C@H]1CC[C@@H](CO)N1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236793610 819596766 /nfs/dbraw/zinc/59/67/66/819596766.db2.gz MGENNCXAMMMZOV-WPRPVWTQSA-N -1 3 290.190 3.044 20 10 CGCDHM C[C@@]1(CF)CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237809049 819848273 /nfs/dbraw/zinc/84/82/73/819848273.db2.gz YTMIJLIPOKXWOD-ZDUSSCGKSA-N -1 3 275.726 3.366 20 10 CGCDHM Cc1ccc(C(=O)NCc2c([O-])cccc2F)c(Cl)c1 ZINC001456028289 937424858 /nfs/dbraw/zinc/42/48/58/937424858.db2.gz HECVRKLFSGVNET-UHFFFAOYSA-N -1 3 293.725 3.423 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@H](C)OC3(CCC3)C2)c(Cl)c1 ZINC001308847980 933189598 /nfs/dbraw/zinc/18/95/98/933189598.db2.gz HNQWNYANSPHSPI-LBPRGKRZSA-N -1 3 295.810 3.497 20 10 CGCDHM O=[N+]([O-])c1ccc(NCc2c([O-])cccc2F)cc1 ZINC001472883075 937787790 /nfs/dbraw/zinc/78/77/90/937787790.db2.gz DWUPWCOQXZEVJH-UHFFFAOYSA-N -1 3 262.240 3.052 20 10 CGCDHM Cc1ccc(CN(C)Cc2cc(F)c(F)cc2[O-])o1 ZINC001474412705 937858311 /nfs/dbraw/zinc/85/83/11/937858311.db2.gz CMGCTZCGNYKOOU-UHFFFAOYSA-N -1 3 267.275 3.204 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCc2c1cccc2F ZINC001560734443 938272931 /nfs/dbraw/zinc/27/29/31/938272931.db2.gz LCAIZDZGNPXHCD-UHFFFAOYSA-N -1 3 279.261 3.372 20 10 CGCDHM O=C1OCc2ccc(NCc3ccc(Cl)cc3[O-])cc21 ZINC001560870306 938281013 /nfs/dbraw/zinc/28/10/13/938281013.db2.gz DOUQZZYIZGCMST-UHFFFAOYSA-N -1 3 289.718 3.328 20 10 CGCDHM CC[C@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@H](CC)O1 ZINC001560894871 938282371 /nfs/dbraw/zinc/28/23/71/938282371.db2.gz XGVRRKLCDGHTDC-KBPBESRZSA-N -1 3 283.799 3.435 20 10 CGCDHM C[C@@H]1CC[C@H](NC(=O)NCc2c([O-])cccc2F)C[C@H]1C ZINC001564538430 960658447 /nfs/dbraw/zinc/65/84/47/960658447.db2.gz GQBYWHYRWAXQAA-UTUOFQBUSA-N -1 3 294.370 3.155 20 10 CGCDHM CC[C@H]([NH2+][C@@H]1CC[C@H](CC(=O)[O-])C1)c1ccccc1[O-] ZINC001595317637 980495712 /nfs/dbraw/zinc/49/57/12/980495712.db2.gz YVJBPPVZPGVOIN-SCRDCRAPSA-N -1 3 277.364 3.076 20 10 CGCDHM C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593203445 994187339 /nfs/dbraw/zinc/18/73/39/994187339.db2.gz DSQMIAXGLQFCDH-HWPZZCPQSA-N -1 3 289.375 3.320 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCC(n2cccn2)CC1 ZINC000092617878 345847548 /nfs/dbraw/zinc/84/75/48/345847548.db2.gz DJLLIIPKEDUIIS-UHFFFAOYSA-N -1 3 291.782 3.079 20 10 CGCDHM Cc1csc(C(C)(C)NCc2ccccc2[O-])n1 ZINC000116382640 370559476 /nfs/dbraw/zinc/55/94/76/370559476.db2.gz YNJBWUPGQQMASO-UHFFFAOYSA-N -1 3 262.378 3.182 20 10 CGCDHM CC[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000182463717 374276529 /nfs/dbraw/zinc/27/65/29/374276529.db2.gz WHRDNOHRGTXHBX-GFCCVEGCSA-N -1 3 277.364 3.059 20 10 CGCDHM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000193073079 375822527 /nfs/dbraw/zinc/82/25/27/375822527.db2.gz VNAUELVKRZUSAI-TZMCWYRMSA-N -1 3 297.354 3.116 20 10 CGCDHM C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000273450637 378745020 /nfs/dbraw/zinc/74/50/20/378745020.db2.gz FWJUPPOMKADAMI-BONVTDFDSA-N -1 3 293.313 3.055 20 10 CGCDHM C[C@@H](N[C@@H](C)c1cccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273406768 378746795 /nfs/dbraw/zinc/74/67/95/378746795.db2.gz ONYOMVFNOQAACM-WDEREUQCSA-N -1 3 287.319 3.107 20 10 CGCDHM CC[C@H]1CN(Cc2cccc(Cl)c2[O-])CCCO1 ZINC000281340180 379830182 /nfs/dbraw/zinc/83/01/82/379830182.db2.gz SPDCCUWNBBJRLY-LBPRGKRZSA-N -1 3 269.772 3.047 20 10 CGCDHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000732276732 572457149 /nfs/dbraw/zinc/45/71/49/572457149.db2.gz ZFLDFWWUDMBNGK-NXEZZACHSA-N -1 3 253.367 3.010 20 10 CGCDHM CC(C)(C)CCS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000232511722 393027512 /nfs/dbraw/zinc/02/75/12/393027512.db2.gz BETCXHJNAOVNLX-UHFFFAOYSA-N -1 3 291.800 3.224 20 10 CGCDHM C[C@@H](CNC(=O)c1cc([O-])cs1)Cc1cccs1 ZINC000743657004 572677204 /nfs/dbraw/zinc/67/72/04/572677204.db2.gz XWCRHJOAQAHGPK-SECBINFHSA-N -1 3 281.402 3.124 20 10 CGCDHM CCC[C@H]1CCCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000185430970 262054016 /nfs/dbraw/zinc/05/40/16/262054016.db2.gz LGHCPIJMPYXZNF-LBPRGKRZSA-N -1 3 277.364 3.201 20 10 CGCDHM C[C@H](NCc1ccccc1[O-])c1nccn1-c1ccccc1 ZINC000377410363 329014695 /nfs/dbraw/zinc/01/46/95/329014695.db2.gz XDWSNHVZRROHGN-AWEZNQCLSA-N -1 3 293.370 3.429 20 10 CGCDHM COC[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000211400359 522475878 /nfs/dbraw/zinc/47/58/78/522475878.db2.gz STCDLIXLURNDHX-SECBINFHSA-N -1 3 290.190 3.167 20 10 CGCDHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000078981731 525332976 /nfs/dbraw/zinc/33/29/76/525332976.db2.gz RAVKUXYSHVJFPE-UHFFFAOYSA-N -1 3 298.386 3.039 20 10 CGCDHM C[C@H](Nc1ccc(CCO)cc1)c1cc(F)ccc1[O-] ZINC000094617825 525651618 /nfs/dbraw/zinc/65/16/18/525651618.db2.gz DUEWDWKCVVLGOC-NSHDSACASA-N -1 3 275.323 3.239 20 10 CGCDHM Cc1csc(CNCc2c([O-])cccc2Cl)n1 ZINC000083551732 526358202 /nfs/dbraw/zinc/35/82/02/526358202.db2.gz HRMPBOXZGBDOHH-UHFFFAOYSA-N -1 3 268.769 3.100 20 10 CGCDHM Cc1csc(CN[C@H](C)c2cc(F)ccc2[O-])n1 ZINC000094617788 526361048 /nfs/dbraw/zinc/36/10/48/526361048.db2.gz PGOJVRFWJPFQBR-SECBINFHSA-N -1 3 266.341 3.147 20 10 CGCDHM CN(C(=O)c1cc([O-])cs1)[C@H]1CCc2ccccc21 ZINC000731867415 572432986 /nfs/dbraw/zinc/43/29/86/572432986.db2.gz KBGSXRQKRYJFEW-ZDUSSCGKSA-N -1 3 273.357 3.213 20 10 CGCDHM O=C(Nc1cnc2ccccc2c1)c1cc([O-])cs1 ZINC000731867441 572433259 /nfs/dbraw/zinc/43/32/59/572433259.db2.gz KNGZOFLQLHAPNO-UHFFFAOYSA-N -1 3 270.313 3.254 20 10 CGCDHM C[C@H](CCc1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000731866838 572433269 /nfs/dbraw/zinc/43/32/69/572433269.db2.gz RWAYXRVHMTWRNB-LLVKDONJSA-N -1 3 275.373 3.205 20 10 CGCDHM O=C(Nc1nc2ccccc2s1)c1cc([O-])cs1 ZINC000731866739 572433416 /nfs/dbraw/zinc/43/34/16/572433416.db2.gz XPCQIGQZWGBQLA-UHFFFAOYSA-N -1 3 276.342 3.316 20 10 CGCDHM CC(C)(C)c1csc(NC(=O)c2cc([O-])cs2)n1 ZINC000732266761 572454903 /nfs/dbraw/zinc/45/49/03/572454903.db2.gz KKMCOOLTQDLBPO-UHFFFAOYSA-N -1 3 282.390 3.460 20 10 CGCDHM CN(Cc1ccccc1[O-])Cc1ccc([N+](=O)[O-])cc1F ZINC000747840898 572951250 /nfs/dbraw/zinc/95/12/50/572951250.db2.gz RUUZWELICFLSHG-UHFFFAOYSA-N -1 3 290.294 3.072 20 10 CGCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1cncs1 ZINC000168972404 618914594 /nfs/dbraw/zinc/91/45/94/618914594.db2.gz WAUCVEFEOOOWPI-UHFFFAOYSA-N -1 3 289.187 3.445 20 10 CGCDHM CC1(C)CN(Cc2cc(F)cc(F)c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000894789860 619632928 /nfs/dbraw/zinc/63/29/28/619632928.db2.gz LHACLHPUJBSWSI-ZFWWWQNUSA-N -1 3 297.345 3.060 20 10 CGCDHM CNC(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000149159630 622238848 /nfs/dbraw/zinc/23/88/48/622238848.db2.gz GZRIJRSCNMQFHP-UHFFFAOYSA-N -1 3 290.750 3.017 20 10 CGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)c1ccccc1 ZINC000776645300 628224312 /nfs/dbraw/zinc/22/43/12/628224312.db2.gz MBQMASAOOUKLMR-LBPRGKRZSA-N -1 3 299.370 3.194 20 10 CGCDHM C[C@@H]1CCN(Cc2c([O-])cccc2Cl)C[C@H]1F ZINC000779151515 628391186 /nfs/dbraw/zinc/39/11/86/628391186.db2.gz ZLKSRUSEQWRQDO-BXKDBHETSA-N -1 3 257.736 3.226 20 10 CGCDHM Cc1cscc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780993823 628528854 /nfs/dbraw/zinc/52/88/54/628528854.db2.gz RALAZYAVSOSNBO-UHFFFAOYSA-N -1 3 263.318 3.028 20 10 CGCDHM C[C@H](CC1CCCCC1)NC(=O)c1cccc(O)c1[O-] ZINC000787659963 629021099 /nfs/dbraw/zinc/02/10/99/629021099.db2.gz XDFBLWVLIOMVBQ-LLVKDONJSA-N -1 3 277.364 3.187 20 10 CGCDHM CCN(Cc1ccc(C)cc1)C(=O)c1cccc(O)c1[O-] ZINC000790522936 629215184 /nfs/dbraw/zinc/21/51/84/629215184.db2.gz METQGGUKKMXVMZ-UHFFFAOYSA-N -1 3 285.343 3.069 20 10 CGCDHM CCCC[C@H](NC(=O)c1cccc(O)c1[O-])C1CCC1 ZINC000790876098 629238990 /nfs/dbraw/zinc/23/89/90/629238990.db2.gz HGWKWVXDEDBBET-ZDUSSCGKSA-N -1 3 277.364 3.187 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN[C@H](C1CC1)C(F)(F)F ZINC000808438858 630645309 /nfs/dbraw/zinc/64/53/09/630645309.db2.gz PMROMDONZCUTDX-LLVKDONJSA-N -1 3 279.689 3.476 20 10 CGCDHM CCc1nc(C)c(CNCc2c([O-])ccc(Cl)c2F)o1 ZINC000813795449 631461872 /nfs/dbraw/zinc/46/18/72/631461872.db2.gz MQXLENNGXXFAGK-UHFFFAOYSA-N -1 3 298.745 3.333 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666665 632040723 /nfs/dbraw/zinc/04/07/23/632040723.db2.gz SROANKNXTXHFIH-HOTGVXAUSA-N -1 3 293.794 3.189 20 10 CGCDHM C[C@@H](c1ccco1)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000876572077 634860365 /nfs/dbraw/zinc/86/03/65/634860365.db2.gz IPDLXQAYSBPAEY-VIFPVBQESA-N -1 3 267.275 3.456 20 10 CGCDHM CCc1nc(CN[C@@H](C)c2cc(Cl)ccc2[O-])co1 ZINC000834898161 634274529 /nfs/dbraw/zinc/27/45/29/634274529.db2.gz JSCVAQJCZJJHOE-VIFPVBQESA-N -1 3 280.755 3.447 20 10 CGCDHM CC(C)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000126208417 634920197 /nfs/dbraw/zinc/92/01/97/634920197.db2.gz STCTUKZFAFCTJX-UHFFFAOYSA-N -1 3 271.316 3.474 20 10 CGCDHM C[C@H](c1ccccn1)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000877171050 635007314 /nfs/dbraw/zinc/00/73/14/635007314.db2.gz XSYKDLKPICEUMN-SNVBAGLBSA-N -1 3 278.302 3.258 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H](C2CCC2)C1 ZINC000840955587 635093309 /nfs/dbraw/zinc/09/33/09/635093309.db2.gz WGFCLRIMDNCCSY-HNNXBMFYSA-N -1 3 281.783 3.047 20 10 CGCDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841454097 635178162 /nfs/dbraw/zinc/17/81/62/635178162.db2.gz VOKCKCRRQRCZNY-CHWSQXEVSA-N -1 3 291.391 3.385 20 10 CGCDHM C[C@H](NCc1cscn1)c1ccc(Cl)cc1[O-] ZINC000841746624 635224007 /nfs/dbraw/zinc/22/40/07/635224007.db2.gz JJNLOCYAGUHLLC-QMMMGPOBSA-N -1 3 268.769 3.353 20 10 CGCDHM CCCc1nc(C)c(CNCc2cc(F)cc(F)c2[O-])o1 ZINC000883127502 636548304 /nfs/dbraw/zinc/54/83/04/636548304.db2.gz WRGRDFGLLSUXEM-UHFFFAOYSA-N -1 3 296.317 3.209 20 10 CGCDHM CCn1ccnc1[C@@H](C)N[C@H](C)c1c([O-])cccc1F ZINC000886620205 637612593 /nfs/dbraw/zinc/61/25/93/637612593.db2.gz FARFAGONYNEXBB-GHMZBOCLSA-N -1 3 277.343 3.160 20 10 CGCDHM Cc1ccc(CN[C@H](C)c2c([O-])cccc2F)nc1C ZINC000886623482 637614814 /nfs/dbraw/zinc/61/48/14/637614814.db2.gz FFWDSZZXRIMOFP-GFCCVEGCSA-N -1 3 274.339 3.394 20 10 CGCDHM C[C@@H](NCc1cc(C2CC2)no1)c1ccc(F)cc1[O-] ZINC000886684500 637650291 /nfs/dbraw/zinc/65/02/91/637650291.db2.gz MPRMFGILZONHQA-SECBINFHSA-N -1 3 276.311 3.248 20 10 CGCDHM C[C@H](NCc1cccc2c1OCC2)c1c([O-])cccc1F ZINC000927089348 638840274 /nfs/dbraw/zinc/84/02/74/638840274.db2.gz ADUYOQIAVCEFLJ-NSHDSACASA-N -1 3 287.334 3.317 20 10 CGCDHM C/C=C(/C=C\C(=O)NCc1c([O-])cccc1F)CC ZINC000928705813 638889213 /nfs/dbraw/zinc/88/92/13/638889213.db2.gz NMNOSTPLVWXGEX-PXGQUBIOSA-N -1 3 263.312 3.060 20 10 CGCDHM CN(Cc1c([O-])cccc1Br)CC(F)(F)F ZINC000707144175 799973752 /nfs/dbraw/zinc/97/37/52/799973752.db2.gz ZTRPVYXNPVLMJO-UHFFFAOYSA-N -1 3 298.102 3.149 20 10 CGCDHM COc1ccc2c(c1)CN(Cc1c([O-])cccc1F)CC2 ZINC001137832075 803777452 /nfs/dbraw/zinc/77/74/52/803777452.db2.gz ZVUXHRCTKMPLGJ-UHFFFAOYSA-N -1 3 287.334 3.098 20 10 CGCDHM COc1cccc(CN(C)Cc2c([O-])cccc2F)c1 ZINC001137837615 803780395 /nfs/dbraw/zinc/78/03/95/803780395.db2.gz NUORWULMMFMPDA-UHFFFAOYSA-N -1 3 275.323 3.172 20 10 CGCDHM O=C1CCN(Cc2c([O-])cccc2Cl)[C@H]2CCCC[C@H]12 ZINC001140337909 804418360 /nfs/dbraw/zinc/41/83/60/804418360.db2.gz MHVBGUDKYYMHPE-FZMZJTMJSA-N -1 3 293.794 3.379 20 10 CGCDHM O=C1CCN(Cc2ccc(Cl)cc2[O-])[C@H]2CCCC[C@@H]12 ZINC001140461731 804441809 /nfs/dbraw/zinc/44/18/09/804441809.db2.gz SERJRGZQEFSLDT-KGLIPLIRSA-N -1 3 293.794 3.379 20 10 CGCDHM Cc1noc([C@@H]2CCCN2Cc2ccc(Cl)cc2[O-])n1 ZINC001140466138 804443002 /nfs/dbraw/zinc/44/30/02/804443002.db2.gz YMVHJZRTZYDWHI-LBPRGKRZSA-N -1 3 293.754 3.074 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CC(c2ccccc2)C1 ZINC001142527490 804733031 /nfs/dbraw/zinc/73/30/31/804733031.db2.gz WSBMBSRLBIOEGH-UHFFFAOYSA-N -1 3 275.298 3.270 20 10 CGCDHM CC[C@H](NC(=O)NCc1c([O-])cccc1F)C1CCCC1 ZINC001248684485 804966744 /nfs/dbraw/zinc/96/67/44/804966744.db2.gz ACICQASIOHOBRC-AWEZNQCLSA-N -1 3 294.370 3.299 20 10 CGCDHM CC(C)(C)c1cc([O-])c(CN2CCO[C@@H]3C[C@@H]32)cc1Cl ZINC001248885301 805035252 /nfs/dbraw/zinc/03/52/52/805035252.db2.gz RCCFZGKJDWNUEA-DZGCQCFKSA-N -1 3 295.810 3.316 20 10 CGCDHM CN(C(=O)c1cccc(O)c1[O-])C(C)(C)Cc1ccccc1 ZINC001148219018 805168051 /nfs/dbraw/zinc/16/80/51/805168051.db2.gz RPFRPXNNAFVTKD-UHFFFAOYSA-N -1 3 299.370 3.191 20 10 CGCDHM CC(C)(C)[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001184374155 810197123 /nfs/dbraw/zinc/19/71/23/810197123.db2.gz KOCMGPDZGBJQOM-HNNXBMFYSA-N -1 3 299.361 3.307 20 10 CGCDHM O=C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(Cl)ccc1[O-] ZINC001203663708 812421411 /nfs/dbraw/zinc/42/14/11/812421411.db2.gz DVDCZAYNLRVHPC-BETUJISGSA-N -1 3 279.767 3.132 20 10 CGCDHM CC[N@H+](Cc1cccs1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455092 818102262 /nfs/dbraw/zinc/10/22/62/818102262.db2.gz WFRANVYAKBXOFK-UHFFFAOYSA-N -1 3 291.372 3.174 20 10 CGCDHM CC[N@@H+](Cc1cccs1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455092 818102265 /nfs/dbraw/zinc/10/22/65/818102265.db2.gz WFRANVYAKBXOFK-UHFFFAOYSA-N -1 3 291.372 3.174 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@@H]1c1cccnc1 ZINC001233331532 818581529 /nfs/dbraw/zinc/58/15/29/818581529.db2.gz AANNAHBDIAEBSW-CQSZACIVSA-N -1 3 290.313 3.403 20 10 CGCDHM O=C1CCCN(Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001234993883 818972200 /nfs/dbraw/zinc/97/22/00/818972200.db2.gz CGVKHERXHBBUJG-UHFFFAOYSA-N -1 3 281.355 3.224 20 10 CGCDHM C[C@@H]1C[C@@H](O)CCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236798108 819599095 /nfs/dbraw/zinc/59/90/95/819599095.db2.gz GSPICCIJOZJITJ-SCZZXKLOSA-N -1 3 290.190 3.044 20 10 CGCDHM COc1ccc(CN2C[C@@H](C)C[C@H]2CF)c([O-])c1Cl ZINC001236803595 819603019 /nfs/dbraw/zinc/60/30/19/819603019.db2.gz VJKQQXKOCWKEOA-ONGXEEELSA-N -1 3 287.762 3.234 20 10 CGCDHM CCCO[C@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237125019 819672617 /nfs/dbraw/zinc/67/26/17/819672617.db2.gz QLKFJXZGQWPMQO-JTQLQIEISA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCNC2=CCCC[C@@H]21 ZINC001237228591 819707118 /nfs/dbraw/zinc/70/71/18/819707118.db2.gz KNTVOPZUQYYHBU-AWEZNQCLSA-N -1 3 296.773 3.026 20 10 CGCDHM CO[C@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])[C@H](C)C1 ZINC001237801876 819845574 /nfs/dbraw/zinc/84/55/74/819845574.db2.gz JFEUGGFSRWZVPA-SKDRFNHKSA-N -1 3 287.762 3.184 20 10 CGCDHM COC[C@H]1CCCCN1Cc1cc(F)cc(Cl)c1[O-] ZINC001237809036 819847752 /nfs/dbraw/zinc/84/77/52/819847752.db2.gz YQHWPRCHDAFQFG-GFCCVEGCSA-N -1 3 287.762 3.186 20 10 CGCDHM CCC[C@@H](NC(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC001451259760 937389743 /nfs/dbraw/zinc/38/97/43/937389743.db2.gz YKLJQUWZJOCOGT-CYBMUJFWSA-N -1 3 277.364 3.187 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CCOCC12CCCC2 ZINC001461965111 937609380 /nfs/dbraw/zinc/60/93/80/937609380.db2.gz DUZHTTFHUAXBCJ-UHFFFAOYSA-N -1 3 281.783 3.191 20 10 CGCDHM C[C@@H]1CCC[C@@H](NC(=O)NCc2c([O-])cccc2F)[C@H]1C ZINC001311418756 933298393 /nfs/dbraw/zinc/29/83/93/933298393.db2.gz RJGYDQIJBKWNOV-UHIISALHSA-N -1 3 294.370 3.155 20 10 CGCDHM C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593224834 994343752 /nfs/dbraw/zinc/34/37/52/994343752.db2.gz RLZTZGMNKUVDJJ-DLOVCJGASA-N -1 3 281.327 3.022 20 10 CGCDHM CC(C)C(C)(C)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593240241 994426966 /nfs/dbraw/zinc/42/69/66/994426966.db2.gz LNTOIDYGLDDVDU-LLVKDONJSA-N -1 3 279.380 3.423 20 10 CGCDHM CCc1nc(C)c(CNCc2c([O-])cccc2Cl)o1 ZINC000291752806 372174358 /nfs/dbraw/zinc/17/43/58/372174358.db2.gz LTTGJJQLVPLGFF-UHFFFAOYSA-N -1 3 280.755 3.194 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H]1[C@H]1CCCO1 ZINC000294745504 372669732 /nfs/dbraw/zinc/66/97/32/372669732.db2.gz RBJIMLVPYSYPCG-UKRRQHHQSA-N -1 3 299.773 3.328 20 10 CGCDHM COC[C@@H](N[C@@H](C)c1cc(F)ccc1[O-])c1ccc(C)o1 ZINC000185631120 374702058 /nfs/dbraw/zinc/70/20/58/374702058.db2.gz QLLCSAQJHHLRHF-SMDDNHRTSA-N -1 3 293.338 3.471 20 10 CGCDHM COC[C@H](N[C@H](C)c1cc(F)ccc1[O-])c1ccc(C)o1 ZINC000185631177 374702322 /nfs/dbraw/zinc/70/23/22/374702322.db2.gz QLLCSAQJHHLRHF-RISCZKNCSA-N -1 3 293.338 3.471 20 10 CGCDHM C[C@@H](CN(C)C(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC000530040009 375937882 /nfs/dbraw/zinc/93/78/82/375937882.db2.gz SHSKVGYBXSEPKV-LBPRGKRZSA-N -1 3 291.391 3.386 20 10 CGCDHM CC[C@H](NCc1csc(COC)n1)c1ccccc1[O-] ZINC000271663553 378501493 /nfs/dbraw/zinc/50/14/93/378501493.db2.gz DTQSENYMAFANRD-ZDUSSCGKSA-N -1 3 292.404 3.236 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C2CC2)c1[O-] ZINC000371859770 379179544 /nfs/dbraw/zinc/17/95/44/379179544.db2.gz YDPQFDSTXWYCDH-OAHLLOKOSA-N -1 3 277.339 3.108 20 10 CGCDHM COCCc1ccccc1NCc1cc(F)ccc1[O-] ZINC000191679646 533324683 /nfs/dbraw/zinc/32/46/83/533324683.db2.gz KMPUFSBQGNBWCO-UHFFFAOYSA-N -1 3 275.323 3.332 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1cccs1 ZINC000186827562 262111597 /nfs/dbraw/zinc/11/15/97/262111597.db2.gz PBIVWCWRINPIBM-NSHDSACASA-N -1 3 289.356 3.137 20 10 CGCDHM CCOc1ccc(CN2CC(OC(C)(C)CC)C2)c([O-])c1 ZINC000529639414 333502880 /nfs/dbraw/zinc/50/28/80/333502880.db2.gz CTSZUWXOXXVRMD-UHFFFAOYSA-N -1 3 293.407 3.180 20 10 CGCDHM Cc1nn(C)c(C)c1N[C@@H](C)c1ccc(F)cc1[O-] ZINC000062745062 527650668 /nfs/dbraw/zinc/65/06/68/527650668.db2.gz YBICPAJBLQAFCZ-QMMMGPOBSA-N -1 3 263.316 3.055 20 10 CGCDHM CN(Cc1ccon1)Cc1c([O-])ccc2ccccc21 ZINC000739879258 572426142 /nfs/dbraw/zinc/42/61/42/572426142.db2.gz JCGNGIGEQVAZIV-UHFFFAOYSA-N -1 3 268.316 3.165 20 10 CGCDHM CCCOc1ccccc1NC(=O)c1cc([O-])cs1 ZINC000731867411 572433496 /nfs/dbraw/zinc/43/34/96/572433496.db2.gz JVAAYMFWIQCHEP-UHFFFAOYSA-N -1 3 277.345 3.495 20 10 CGCDHM Cc1ccccc1-c1cc(NC(=O)c2cc([O-])cs2)n[nH]1 ZINC000732280871 572457837 /nfs/dbraw/zinc/45/78/37/572457837.db2.gz SIPJIVFXBANDBR-UHFFFAOYSA-N -1 3 299.355 3.405 20 10 CGCDHM CCN(C(=O)c1cc([O-])cs1)[C@@H](C)c1cccnc1 ZINC000734554658 572665270 /nfs/dbraw/zinc/66/52/70/572665270.db2.gz GAKWVURIUZEMEB-JTQLQIEISA-N -1 3 276.361 3.072 20 10 CGCDHM CC[C@H]1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000735326937 572715162 /nfs/dbraw/zinc/71/51/62/572715162.db2.gz RNACRVDJWDWCLL-JTQLQIEISA-N -1 3 253.367 3.106 20 10 CGCDHM CCO[C@@H]1C[C@@H](NC(=O)c2cc([O-])cs2)C1(CC)CC ZINC000749545725 573018041 /nfs/dbraw/zinc/01/80/41/573018041.db2.gz WBMJXXPFMFSNBM-CHWSQXEVSA-N -1 3 297.420 3.167 20 10 CGCDHM CN(Cc1cscn1)Cc1c([O-])cccc1Cl ZINC000120239263 617653705 /nfs/dbraw/zinc/65/37/05/617653705.db2.gz MOZBZLHDMQYDDN-UHFFFAOYSA-N -1 3 268.769 3.134 20 10 CGCDHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])c(O)c1O ZINC000177675473 618000212 /nfs/dbraw/zinc/00/02/12/618000212.db2.gz YSCCPAGWZLJJNO-UHFFFAOYSA-N -1 3 293.706 3.018 20 10 CGCDHM CN(Cc1ccco1)Cc1cccc(Br)c1[O-] ZINC000162163840 618741286 /nfs/dbraw/zinc/74/12/86/618741286.db2.gz FCHXYRQNBRIYQD-UHFFFAOYSA-N -1 3 296.164 3.380 20 10 CGCDHM C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894600703 619584001 /nfs/dbraw/zinc/58/40/01/619584001.db2.gz KTRUIVLYUFTVMT-OIBJUYFYSA-N -1 3 295.251 3.443 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC(c2ccon2)CC1 ZINC000895335354 619806802 /nfs/dbraw/zinc/80/68/02/619806802.db2.gz MVIRLXYQYAEAJR-UHFFFAOYSA-N -1 3 294.301 3.038 20 10 CGCDHM O=C(Nc1cccc(-c2ncco2)c1)c1cccc(O)c1[O-] ZINC000187203155 626164709 /nfs/dbraw/zinc/16/47/09/626164709.db2.gz NGFRMPIWFMAONE-UHFFFAOYSA-N -1 3 296.282 3.005 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CC(CC(F)(F)F)C1 ZINC000839139060 626322426 /nfs/dbraw/zinc/32/24/26/626322426.db2.gz XJDSFKCRXCDZRL-UHFFFAOYSA-N -1 3 279.689 3.430 20 10 CGCDHM CC(C)C[C@@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000769398848 627548472 /nfs/dbraw/zinc/54/84/72/627548472.db2.gz KHILEIKWUFEXNW-CQSZACIVSA-N -1 3 283.799 3.293 20 10 CGCDHM C[C@H](Nc1cnn(C)c1C1CC1)c1ccc(F)cc1[O-] ZINC000769982500 627594376 /nfs/dbraw/zinc/59/43/76/627594376.db2.gz XPDKWMAMHUBJAB-VIFPVBQESA-N -1 3 275.327 3.315 20 10 CGCDHM COc1ccc(NCc2c([O-])cccc2Cl)c(OC)n1 ZINC000776252913 628184475 /nfs/dbraw/zinc/18/44/75/628184475.db2.gz JLAVTMJOOXWURS-UHFFFAOYSA-N -1 3 294.738 3.070 20 10 CGCDHM [O-]c1ccc(F)cc1CN(CC(F)F)CC1CCC1 ZINC000779028012 628383855 /nfs/dbraw/zinc/38/38/55/628383855.db2.gz FHTITZCHPMZQIN-UHFFFAOYSA-N -1 3 273.298 3.399 20 10 CGCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])[C@H](C)[C@@H](C)O1 ZINC000783736973 628743720 /nfs/dbraw/zinc/74/37/20/628743720.db2.gz GTRPNNIQGPATMV-GMTAPVOTSA-N -1 3 269.772 3.043 20 10 CGCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])[C@H](C)[C@H](C)O1 ZINC000783736974 628743791 /nfs/dbraw/zinc/74/37/91/628743791.db2.gz GTRPNNIQGPATMV-MXWKQRLJSA-N -1 3 269.772 3.043 20 10 CGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cc2ccccc2o1 ZINC000785831806 628890918 /nfs/dbraw/zinc/89/09/18/628890918.db2.gz VNTSXUHZKXMDJV-SNVBAGLBSA-N -1 3 297.310 3.335 20 10 CGCDHM C[C@@]1(CO)CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000789557072 629145059 /nfs/dbraw/zinc/14/50/59/629145059.db2.gz FWMISXJKAMHRKR-ZDUSSCGKSA-N -1 3 290.190 3.046 20 10 CGCDHM COc1cc(Cl)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000790939391 629241944 /nfs/dbraw/zinc/24/19/44/629241944.db2.gz AGKDPUHTMBMSFZ-UHFFFAOYSA-N -1 3 293.706 3.012 20 10 CGCDHM CC(C)C1CN(Cc2cccc(Br)c2[O-])C1 ZINC000793193195 629426935 /nfs/dbraw/zinc/42/69/35/629426935.db2.gz SDYVVJUOSVKNHF-UHFFFAOYSA-N -1 3 284.197 3.243 20 10 CGCDHM [O-]c1c(CN2CCC[C@H](OC3CCC3)C2)ccc(F)c1F ZINC000864049633 629741813 /nfs/dbraw/zinc/74/18/13/629741813.db2.gz JWQHLGONDGQGGA-ZDUSSCGKSA-N -1 3 297.345 3.204 20 10 CGCDHM CC[C@H](NCc1cscn1)c1ccc(F)cc1[O-] ZINC000796736265 629823701 /nfs/dbraw/zinc/82/37/01/629823701.db2.gz CRNKPKHFEGBARK-LBPRGKRZSA-N -1 3 266.341 3.229 20 10 CGCDHM [O-]c1cccc(Cl)c1CNCc1nccc(C(F)F)n1 ZINC000808435805 630644880 /nfs/dbraw/zinc/64/48/80/630644880.db2.gz XQSVASQSFITGNS-UHFFFAOYSA-N -1 3 299.708 3.063 20 10 CGCDHM Cc1ccoc1CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000813882569 631476484 /nfs/dbraw/zinc/47/64/84/631476484.db2.gz CPERANXIGIWIQO-SECBINFHSA-N -1 3 267.275 3.423 20 10 CGCDHM CCc1noc(C)c1CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000815640639 631810338 /nfs/dbraw/zinc/81/03/38/631810338.db2.gz CIDRVHVRRRUEHX-QMMMGPOBSA-N -1 3 296.317 3.380 20 10 CGCDHM Cc1ccc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000866478970 633152069 /nfs/dbraw/zinc/15/20/69/633152069.db2.gz OKBBZJCGUQHDKS-VIFPVBQESA-N -1 3 267.275 3.423 20 10 CGCDHM C[C@H]1C[C@H](NCc2cccc(Cl)c2[O-])c2nccn21 ZINC000825017584 633318441 /nfs/dbraw/zinc/31/84/41/633318441.db2.gz VLXFSQWKYFAPGD-CABZTGNLSA-N -1 3 277.755 3.038 20 10 CGCDHM Cc1nccnc1[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000872131834 634052529 /nfs/dbraw/zinc/05/25/29/634052529.db2.gz AHPXMJQKHBUEAW-WPRPVWTQSA-N -1 3 293.317 3.181 20 10 CGCDHM C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccc(F)cc1[O-] ZINC000834894950 634271726 /nfs/dbraw/zinc/27/17/26/634271726.db2.gz NEFDFPHMKSCKSZ-OUJBWJOFSA-N -1 3 275.327 3.084 20 10 CGCDHM CCN(Cc1ccncc1)Cc1ccc(F)c(F)c1[O-] ZINC000877524385 635071687 /nfs/dbraw/zinc/07/16/87/635071687.db2.gz WGEUSBUWGKIKLM-UHFFFAOYSA-N -1 3 278.302 3.088 20 10 CGCDHM Cc1cc(CN(C)Cc2c([O-])cc(C)cc2Cl)no1 ZINC000840909398 635080253 /nfs/dbraw/zinc/08/02/53/635080253.db2.gz AUQWAKNIBKLVBH-UHFFFAOYSA-N -1 3 280.755 3.282 20 10 CGCDHM Cc1cc([O-])c(CN2CCOC3(CCC3)C2)c(Cl)c1 ZINC000840915490 635080997 /nfs/dbraw/zinc/08/09/97/635080997.db2.gz BQOVHNXNLFLRQQ-UHFFFAOYSA-N -1 3 281.783 3.109 20 10 CGCDHM COC[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccc(C)o1 ZINC000883027213 636511953 /nfs/dbraw/zinc/51/19/53/636511953.db2.gz SYBWMLPEROOVQT-CYBMUJFWSA-N -1 3 297.301 3.049 20 10 CGCDHM Cc1cnc(C(C)(C)NCc2cc(F)cc(F)c2[O-])s1 ZINC000883030509 636512828 /nfs/dbraw/zinc/51/28/28/636512828.db2.gz LLHCDJUOEIOVDY-UHFFFAOYSA-N -1 3 298.358 3.460 20 10 CGCDHM CC[C@@H]1CO[C@@H](C)CN1Cc1cc(Cl)ccc1[O-] ZINC000131482549 636666688 /nfs/dbraw/zinc/66/66/88/636666688.db2.gz MEBLWDZYHGNHGP-GXFFZTMASA-N -1 3 269.772 3.045 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCS[C@H](C)[C@@H]2C)c1[O-] ZINC000135834731 637190912 /nfs/dbraw/zinc/19/09/12/637190912.db2.gz NVWHNTOZZWVDEJ-GXSJLCMTSA-N -1 3 297.395 3.060 20 10 CGCDHM C[C@H](NCc1cccc2c1OCO2)c1c([O-])cccc1F ZINC000886508564 637544507 /nfs/dbraw/zinc/54/45/07/637544507.db2.gz FMPCUPIADIHCIF-JTQLQIEISA-N -1 3 289.306 3.111 20 10 CGCDHM C[C@H](N[C@H](CO)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886547281 637575160 /nfs/dbraw/zinc/57/51/60/637575160.db2.gz IMWMFDXNLYQMAU-IINYFYTJSA-N -1 3 293.313 3.055 20 10 CGCDHM C[C@@H](NCc1nn(C)cc1C(F)F)c1c([O-])cccc1F ZINC000886648086 637628181 /nfs/dbraw/zinc/62/81/81/637628181.db2.gz LEMGXKAWAVLJCB-MRVPVSSYSA-N -1 3 299.296 3.053 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCCC2(CCCC2)CC1 ZINC000855363557 638174621 /nfs/dbraw/zinc/17/46/21/638174621.db2.gz ACJCFFMVNJEKBX-UHFFFAOYSA-N -1 3 289.375 3.284 20 10 CGCDHM CC[C@@H](Nc1cnn(CCF)c1)c1ccc(F)cc1[O-] ZINC000858492225 638742633 /nfs/dbraw/zinc/74/26/33/638742633.db2.gz UXKPOUTZILIGIG-CYBMUJFWSA-N -1 3 281.306 3.261 20 10 CGCDHM CCCCS[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928712661 638889756 /nfs/dbraw/zinc/88/97/56/638889756.db2.gz VOUPTZHXTJJRIX-JTQLQIEISA-N -1 3 285.384 3.069 20 10 CGCDHM C[C@@H](NCC(C)(F)F)c1cc(Br)ccc1[O-] ZINC000382145476 799392690 /nfs/dbraw/zinc/39/26/90/799392690.db2.gz NRSPRNIODLENDH-SSDOTTSWSA-N -1 3 294.139 3.461 20 10 CGCDHM C[C@H](N[C@@H]1CCCC1(F)F)c1ccc(F)cc1[O-] ZINC000398189917 799528257 /nfs/dbraw/zinc/52/82/57/799528257.db2.gz MFDRBXRHJJHOIR-QPUJVOFHSA-N -1 3 259.271 3.370 20 10 CGCDHM Cc1noc(C)c1[C@H](C)NCc1ccc(F)c(F)c1[O-] ZINC000703342440 799923435 /nfs/dbraw/zinc/92/34/35/799923435.db2.gz WFDHIMVECHKUFA-ZETCQYMHSA-N -1 3 282.290 3.126 20 10 CGCDHM CCN(CCC(F)(F)F)Cc1ccc(F)c(F)c1[O-] ZINC000703445842 799924708 /nfs/dbraw/zinc/92/47/08/799924708.db2.gz CVKHWDOBTNWFNK-UHFFFAOYSA-N -1 3 283.240 3.445 20 10 CGCDHM CC(C)O[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000708423137 799989385 /nfs/dbraw/zinc/98/93/85/799989385.db2.gz PMFGAAKUDYSDEJ-ZDUSSCGKSA-N -1 3 285.334 3.060 20 10 CGCDHM Cc1noc(C)c1[C@@H](C)NCc1cc(F)cc(F)c1[O-] ZINC000708481245 799990313 /nfs/dbraw/zinc/99/03/13/799990313.db2.gz PKCPOTVSZDYYTJ-SSDOTTSWSA-N -1 3 282.290 3.126 20 10 CGCDHM C[C@@H](N[C@@H](C)c1c([O-])cccc1F)c1ccns1 ZINC000886643276 800545565 /nfs/dbraw/zinc/54/55/65/800545565.db2.gz PXHBGOJQTHTYGK-BDAKNGLRSA-N -1 3 266.341 3.400 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CCC[C@@H]1c1ncccn1 ZINC001140468845 804443760 /nfs/dbraw/zinc/44/37/60/804443760.db2.gz ZTRJUEAADZUEKS-CYBMUJFWSA-N -1 3 289.766 3.173 20 10 CGCDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1C ZINC001260997576 807709705 /nfs/dbraw/zinc/70/97/05/807709705.db2.gz ABQHSLRQNSJYMR-UHFFFAOYSA-N -1 3 291.372 3.118 20 10 CGCDHM COc1ccc(F)c(CNCc2cc(F)c(F)cc2[O-])c1 ZINC001183001239 810134752 /nfs/dbraw/zinc/13/47/52/810134752.db2.gz SISIPQPGUYSTPY-UHFFFAOYSA-N -1 3 297.276 3.108 20 10 CGCDHM Cc1ccccc1NC(=O)NCc1c([O-])cccc1F ZINC001214458309 815412429 /nfs/dbraw/zinc/41/24/29/815412429.db2.gz NNJZMBFXUOMHAL-UHFFFAOYSA-N -1 3 274.295 3.161 20 10 CGCDHM Cc1ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc1C ZINC001215325274 815506852 /nfs/dbraw/zinc/50/68/52/815506852.db2.gz JUNZQXIGLSWTFF-UHFFFAOYSA-N -1 3 298.298 3.137 20 10 CGCDHM Cc1nc2c(s1)CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001203657139 812419302 /nfs/dbraw/zinc/41/93/02/812419302.db2.gz FYYWRWYIOWSSKU-UHFFFAOYSA-N -1 3 294.807 3.369 20 10 CGCDHM CCCCN(CC(=O)OCC)Cc1cc(Cl)ccc1[O-] ZINC001203664487 812422982 /nfs/dbraw/zinc/42/29/82/812422982.db2.gz GUVLVMRVOGIBNK-UHFFFAOYSA-N -1 3 299.798 3.211 20 10 CGCDHM C[C@H](O)c1cc(NCc2cc(F)c(F)cc2[O-])ccc1F ZINC001205735392 813063711 /nfs/dbraw/zinc/06/37/11/813063711.db2.gz KBWASSBJBXGXFM-QMMMGPOBSA-N -1 3 297.276 3.475 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCCc2occc2C1 ZINC001206076749 813192024 /nfs/dbraw/zinc/19/20/24/813192024.db2.gz GDNAMGPIVGWKTE-UHFFFAOYSA-N -1 3 279.286 3.212 20 10 CGCDHM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@H]1CCc2ccccc21 ZINC001231453265 818102030 /nfs/dbraw/zinc/10/20/30/818102030.db2.gz KBYSGYWCZPXNMG-INIZCTEOSA-N -1 3 297.354 3.210 20 10 CGCDHM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@H]1CCc2ccccc21 ZINC001231453265 818102035 /nfs/dbraw/zinc/10/20/35/818102035.db2.gz KBYSGYWCZPXNMG-INIZCTEOSA-N -1 3 297.354 3.210 20 10 CGCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c([O-])c1 ZINC001231455862 818102673 /nfs/dbraw/zinc/10/26/73/818102673.db2.gz VCKXNRSJKCDYFX-OAHLLOKOSA-N -1 3 283.327 3.037 20 10 CGCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c([O-])c1 ZINC001231455862 818102675 /nfs/dbraw/zinc/10/26/75/818102675.db2.gz VCKXNRSJKCDYFX-OAHLLOKOSA-N -1 3 283.327 3.037 20 10 CGCDHM C[C@@H]1c2cccn2CCN1Cc1cc(Cl)c([O-])cc1O ZINC001232262923 818297557 /nfs/dbraw/zinc/29/75/57/818297557.db2.gz WEBPDUGAXPPYPO-SNVBAGLBSA-N -1 3 292.766 3.130 20 10 CGCDHM [O-]c1c(CN2CCC[C@@H]2CF)cccc1C(F)(F)F ZINC001233420065 818614414 /nfs/dbraw/zinc/61/44/14/818614414.db2.gz YFEUPKLDSOEDTB-SNVBAGLBSA-N -1 3 277.261 3.345 20 10 CGCDHM CC1(C)CN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416079 818615383 /nfs/dbraw/zinc/61/53/83/818615383.db2.gz VWEMWDDZNMHFGL-UHFFFAOYSA-N -1 3 259.271 3.253 20 10 CGCDHM CN(Cc1ccc(C(F)(F)F)cc1[O-])CC(F)(F)F ZINC001233451544 818623233 /nfs/dbraw/zinc/62/32/33/818623233.db2.gz OOQYOXMQMVNHMQ-UHFFFAOYSA-N -1 3 287.203 3.405 20 10 CGCDHM C[C@]1(O)CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236795545 819596856 /nfs/dbraw/zinc/59/68/56/819596856.db2.gz GFSSQSYTSODUCL-ZDUSSCGKSA-N -1 3 290.190 3.046 20 10 CGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCCC[C@H]1CO ZINC001237077487 819660217 /nfs/dbraw/zinc/66/02/17/819660217.db2.gz ICXBPUDCJKQUDV-VIFPVBQESA-N -1 3 290.190 3.046 20 10 CGCDHM C[C@@H]1COCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078407 819662689 /nfs/dbraw/zinc/66/26/89/819662689.db2.gz RYIRAXYTXHVOQF-VIFPVBQESA-N -1 3 290.190 3.167 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237617984 819787515 /nfs/dbraw/zinc/78/75/15/819787515.db2.gz WCSWVTRFMWDWNB-IINYFYTJSA-N -1 3 299.773 3.186 20 10 CGCDHM CC[C@@H](NCc1ccc(Cl)cc1[O-])C(=O)OC(C)(C)C ZINC001308836175 933186420 /nfs/dbraw/zinc/18/64/20/933186420.db2.gz QQKWHFXMAPGYRG-GFCCVEGCSA-N -1 3 299.798 3.256 20 10 CGCDHM Cc1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001310096092 933251161 /nfs/dbraw/zinc/25/11/61/933251161.db2.gz ZIBVDHXGNVYIGJ-UHFFFAOYSA-N -1 3 274.295 3.161 20 10 CGCDHM Cc1ccccc1C1(C(=O)NCc2c([O-])cccc2F)CC1 ZINC001333856035 936071508 /nfs/dbraw/zinc/07/15/08/936071508.db2.gz DNJSNDHJJCBVKZ-UHFFFAOYSA-N -1 3 299.345 3.188 20 10 CGCDHM C[C@H]1CCC[C@H](C)C1NC(=O)NCc1c([O-])cccc1F ZINC001478811579 937911538 /nfs/dbraw/zinc/91/15/38/937911538.db2.gz UQRZJCYBTNGEFO-QWRGUYRKSA-N -1 3 294.370 3.155 20 10 CGCDHM CC[C@H](NC(=O)NCc1c([O-])cccc1F)[C@H]1CC1(C)C ZINC001564951657 960713688 /nfs/dbraw/zinc/71/36/88/960713688.db2.gz BAUGJXSOIUEXBN-YPMHNXCESA-N -1 3 294.370 3.155 20 10 CGCDHM C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593251868 994500700 /nfs/dbraw/zinc/50/07/00/994500700.db2.gz LJLJAZMIIMUXSK-NWDGAFQWSA-N -1 3 275.348 3.097 20 10 CGCDHM C[C@@H](N[C@@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000169520463 346192683 /nfs/dbraw/zinc/19/26/83/346192683.db2.gz AOCYTOVTKNCQLT-ABAIWWIYSA-N -1 3 291.778 3.430 20 10 CGCDHM Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cccc(F)c1[O-] ZINC000290627181 346425414 /nfs/dbraw/zinc/42/54/14/346425414.db2.gz XRMNKWXZVPJQMR-AWEZNQCLSA-N -1 3 289.354 3.208 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000092729078 370100730 /nfs/dbraw/zinc/10/07/30/370100730.db2.gz PANRZIDNNYOMFT-ZDUSSCGKSA-N -1 3 291.782 3.496 20 10 CGCDHM C[C@@H](N[C@@H](C)c1cc(F)ccc1[O-])C(F)(F)F ZINC000287363270 371645675 /nfs/dbraw/zinc/64/56/75/371645675.db2.gz OGACGYSUWBUWPO-NKWVEPMBSA-N -1 3 251.223 3.133 20 10 CGCDHM C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1ccccc1[O-] ZINC000287432891 371655660 /nfs/dbraw/zinc/65/56/60/371655660.db2.gz SZDZLTZOFNMGMC-UFBFGSQYSA-N -1 3 259.271 3.384 20 10 CGCDHM Cc1ccoc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293893135 372514870 /nfs/dbraw/zinc/51/48/70/372514870.db2.gz ZFFCMORVNSGPOC-SNVBAGLBSA-N -1 3 276.292 3.053 20 10 CGCDHM CC(C)[C@@H]1CN(Cc2cccc(Cl)c2[O-])CCCO1 ZINC000294142258 372592909 /nfs/dbraw/zinc/59/29/09/372592909.db2.gz UYHBHIYGKXQAMW-AWEZNQCLSA-N -1 3 283.799 3.293 20 10 CGCDHM C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cccnc1 ZINC000273406752 378745343 /nfs/dbraw/zinc/74/53/43/378745343.db2.gz ONYOMVFNOQAACM-GHMZBOCLSA-N -1 3 287.319 3.107 20 10 CGCDHM Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000274262697 378799565 /nfs/dbraw/zinc/79/95/65/378799565.db2.gz VCCUMNJFAPYGAX-JGVFFNPUSA-N -1 3 281.356 3.103 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CC2(CCC2)c2ccccc21 ZINC000375457054 379499964 /nfs/dbraw/zinc/49/99/64/379499964.db2.gz IGUJPQWHAYGWSW-UHFFFAOYSA-N -1 3 295.338 3.180 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC[C@H]1c1cccs1 ZINC000731867276 572433246 /nfs/dbraw/zinc/43/32/46/572433246.db2.gz QLZZCVQSWZDTTE-JTQLQIEISA-N -1 3 279.386 3.493 20 10 CGCDHM CO[C@H](C)c1nc(CN(C)Cc2ccccc2[O-])cs1 ZINC000177676235 392666028 /nfs/dbraw/zinc/66/60/28/392666028.db2.gz LLLOBXBVMXWJRK-LLVKDONJSA-N -1 3 292.404 3.188 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCC(OCC2CC2)CC1 ZINC000371337194 267393233 /nfs/dbraw/zinc/39/32/33/267393233.db2.gz SYCZINFICFSNOY-UHFFFAOYSA-N -1 3 295.810 3.437 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCSC2)c1[O-] ZINC000050133447 518278817 /nfs/dbraw/zinc/27/88/17/518278817.db2.gz UTUVWFVLOUFVRU-LBPRGKRZSA-N -1 3 299.823 3.186 20 10 CGCDHM O=C(Nc1cccc(-c2cnco2)c1)c1cc([O-])cs1 ZINC000731871102 572430266 /nfs/dbraw/zinc/43/02/66/572430266.db2.gz WRJAFMRUDXSRKU-UHFFFAOYSA-N -1 3 286.312 3.361 20 10 CGCDHM O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc([O-])cs1 ZINC000731867970 572433406 /nfs/dbraw/zinc/43/34/06/572433406.db2.gz FRSGBZIXRTUMLL-UHFFFAOYSA-N -1 3 291.416 3.400 20 10 CGCDHM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc([O-])cs1 ZINC000732262823 572454818 /nfs/dbraw/zinc/45/48/18/572454818.db2.gz FYRGCACVHUMFJD-UHFFFAOYSA-N -1 3 291.357 3.158 20 10 CGCDHM CCN(Cc1c(F)cccc1F)C(=O)c1cc([O-])cs1 ZINC000732281784 572457829 /nfs/dbraw/zinc/45/78/29/572457829.db2.gz DORHSDBETPZLAY-UHFFFAOYSA-N -1 3 297.326 3.394 20 10 CGCDHM CC(C)(C)CCCCNC(=O)c1cc([O-])cs1 ZINC000732286983 572459108 /nfs/dbraw/zinc/45/91/08/572459108.db2.gz KVNHVLJGINZTKE-UHFFFAOYSA-N -1 3 255.383 3.400 20 10 CGCDHM O=C(OCc1ccc(F)c(F)c1)c1cc([O-])cs1 ZINC000732353477 572461428 /nfs/dbraw/zinc/46/14/28/572461428.db2.gz QSYNSBCWIZOUEL-UHFFFAOYSA-N -1 3 270.256 3.089 20 10 CGCDHM C[C@@H](CNC(=O)c1cc([O-])cs1)Sc1ccccc1 ZINC000743731642 572680512 /nfs/dbraw/zinc/68/05/12/572680512.db2.gz TVVUNLILLGTDKJ-JTQLQIEISA-N -1 3 293.413 3.364 20 10 CGCDHM C[C@@H](CNC(=O)c1cc([O-])cs1)c1ccc(F)cc1F ZINC000743789539 572683639 /nfs/dbraw/zinc/68/36/39/572683639.db2.gz NMRARJXZGGAGCV-QMMMGPOBSA-N -1 3 297.326 3.265 20 10 CGCDHM CCC[C@@H](C(=O)OCC)N(CCC)Cc1ccccc1[O-] ZINC000743870687 572694642 /nfs/dbraw/zinc/69/46/42/572694642.db2.gz ZUDZOBBHNHQWCB-HNNXBMFYSA-N -1 3 293.407 3.336 20 10 CGCDHM CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000735704129 572738256 /nfs/dbraw/zinc/73/82/56/572738256.db2.gz QFLJNXVOYZHYRB-MFKMUULPSA-N -1 3 297.420 3.025 20 10 CGCDHM C[C@@H](Sc1nccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190349 572771257 /nfs/dbraw/zinc/77/12/57/572771257.db2.gz DEKSWMXXUWJDPP-MRVPVSSYSA-N -1 3 289.389 3.177 20 10 CGCDHM C[C@@H](Sc1nccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190349 572771259 /nfs/dbraw/zinc/77/12/59/572771259.db2.gz DEKSWMXXUWJDPP-MRVPVSSYSA-N -1 3 289.389 3.177 20 10 CGCDHM FC(F)(F)C[N-]c1nnc(Sc2nccs2)s1 ZINC000747088577 572909058 /nfs/dbraw/zinc/90/90/58/572909058.db2.gz WBPSAVSQAZLHKB-UHFFFAOYSA-N -1 3 298.340 3.120 20 10 CGCDHM C[C@H]1c2ccccc2CCN1C(=O)c1cc([O-])cs1 ZINC000748505319 572979514 /nfs/dbraw/zinc/97/95/14/572979514.db2.gz PEURKJMLMIDSHK-JTQLQIEISA-N -1 3 273.357 3.213 20 10 CGCDHM Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(C)c1 ZINC000177658994 617986301 /nfs/dbraw/zinc/98/63/01/617986301.db2.gz IKLBAMSHPKRXBK-UHFFFAOYSA-N -1 3 271.316 3.275 20 10 CGCDHM CC(C)Cn1ccnc1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000185545894 625374746 /nfs/dbraw/zinc/37/47/46/625374746.db2.gz ZLBDOFIPKGNMJO-GFCCVEGCSA-N -1 3 291.370 3.235 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)C1=CCCCCC1 ZINC000928707692 620207978 /nfs/dbraw/zinc/20/79/78/620207978.db2.gz GSRIYDMDJRJGHC-UHFFFAOYSA-N -1 3 263.312 3.038 20 10 CGCDHM C[C@H](NCc1c([O-])ccc(Cl)c1F)c1cncs1 ZINC000897933546 620448579 /nfs/dbraw/zinc/44/85/79/620448579.db2.gz ZNHPMQQCNOSAHO-ZETCQYMHSA-N -1 3 286.759 3.492 20 10 CGCDHM C[C@@H](N[C@@H](C)c1cncs1)c1c([O-])cccc1F ZINC000903305376 621679252 /nfs/dbraw/zinc/67/92/52/621679252.db2.gz LKUGVBMVONEQSS-DTWKUNHWSA-N -1 3 266.341 3.400 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCSC(C)(C)C2)c1[O-] ZINC000083417760 625517072 /nfs/dbraw/zinc/51/70/72/625517072.db2.gz LVFTYHHYACUMHA-UHFFFAOYSA-N -1 3 297.395 3.061 20 10 CGCDHM CCCc1csc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000182968360 625039283 /nfs/dbraw/zinc/03/92/83/625039283.db2.gz LPNKIVXMDVQGEX-UHFFFAOYSA-N -1 3 292.360 3.068 20 10 CGCDHM C/C(=C/c1ccccc1)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000757642298 626796867 /nfs/dbraw/zinc/79/68/67/626796867.db2.gz AQSVLMRCCJABCX-QBFSEMIESA-N -1 3 297.354 3.273 20 10 CGCDHM Cc1ccc(C(=O)Nc2ccc(Cl)c(F)c2)c([O-])c1O ZINC000770475414 627621200 /nfs/dbraw/zinc/62/12/00/627621200.db2.gz FQPBESUQELGXFO-UHFFFAOYSA-N -1 3 295.697 3.451 20 10 CGCDHM Cc1cc(C)cc([C@@H](C)NC(=O)c2cccc(O)c2[O-])c1 ZINC000776652530 628224484 /nfs/dbraw/zinc/22/44/84/628224484.db2.gz NLZQCXMCMOMZMN-GFCCVEGCSA-N -1 3 285.343 3.206 20 10 CGCDHM Cc1ccc(C(=O)Nc2ccc3ccccc3n2)c([O-])c1O ZINC000780892462 628522818 /nfs/dbraw/zinc/52/28/18/628522818.db2.gz GITIYUUYXNDLFS-UHFFFAOYSA-N -1 3 294.310 3.207 20 10 CGCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])[C@@H](C)[C@@H](C)O1 ZINC000783736975 628744045 /nfs/dbraw/zinc/74/40/45/628744045.db2.gz GTRPNNIQGPATMV-OUAUKWLOSA-N -1 3 269.772 3.043 20 10 CGCDHM CC(C)CC1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000790878189 629238943 /nfs/dbraw/zinc/23/89/43/629238943.db2.gz QFVFGHUKYMDYTB-UHFFFAOYSA-N -1 3 277.364 3.044 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCCSCC1 ZINC000792173909 629345185 /nfs/dbraw/zinc/34/51/85/629345185.db2.gz LULGFKSNMAONLO-UHFFFAOYSA-N -1 3 275.776 3.124 20 10 CGCDHM CC[C@H](Nc1ccc(OC)nc1)c1ccc(F)cc1[O-] ZINC000796857218 629849449 /nfs/dbraw/zinc/84/94/49/629849449.db2.gz RBSHSZSMFIEDOB-ZDUSSCGKSA-N -1 3 276.311 3.498 20 10 CGCDHM COC[C@H]1CCCCN1Cc1c([O-])ccc(Cl)c1F ZINC000825294694 633342607 /nfs/dbraw/zinc/34/26/07/633342607.db2.gz WRLMGFLUOOSESN-SNVBAGLBSA-N -1 3 287.762 3.186 20 10 CGCDHM Cc1nccnc1[C@@H](C)N[C@@H](C)c1ccc(F)cc1[O-] ZINC000872133836 634056543 /nfs/dbraw/zinc/05/65/43/634056543.db2.gz PCKIEXIEYZHDHO-GXSJLCMTSA-N -1 3 275.327 3.042 20 10 CGCDHM CCCc1ncc(CN[C@H](C)c2ccc(F)cc2[O-])o1 ZINC000834900402 634276526 /nfs/dbraw/zinc/27/65/26/634276526.db2.gz PMLDSBHBNHPTNU-SNVBAGLBSA-N -1 3 278.327 3.323 20 10 CGCDHM CN(Cc1cccc(Cl)c1)C(=O)c1cccc(O)c1[O-] ZINC000126280854 634950511 /nfs/dbraw/zinc/95/05/11/634950511.db2.gz SNARKHTYCTZIHC-UHFFFAOYSA-N -1 3 291.734 3.023 20 10 CGCDHM C[C@H](c1ccccc1F)N(C)C(=O)c1cccc(O)c1[O-] ZINC000126397038 635008901 /nfs/dbraw/zinc/00/89/01/635008901.db2.gz DVEMKJNVAOMZNB-SNVBAGLBSA-N -1 3 289.306 3.070 20 10 CGCDHM [O-]c1c(CN2CCC(OC3CCC3)CC2)ccc(F)c1F ZINC000877593770 635105993 /nfs/dbraw/zinc/10/59/93/635105993.db2.gz XWSWAIZUEXDSEA-UHFFFAOYSA-N -1 3 297.345 3.204 20 10 CGCDHM Cc1nccnc1[C@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000877828472 635230583 /nfs/dbraw/zinc/23/05/83/635230583.db2.gz KOVGCNXIWWTTEI-VIFPVBQESA-N -1 3 295.745 3.134 20 10 CGCDHM C[C@H](Nc1cnn(CC(F)F)c1)c1c([O-])cccc1F ZINC000886577096 637588504 /nfs/dbraw/zinc/58/85/04/637588504.db2.gz WUZSKEGFJXETNL-QMMMGPOBSA-N -1 3 285.269 3.166 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@H]2C)c1[O-] ZINC000706808766 799967098 /nfs/dbraw/zinc/96/70/98/799967098.db2.gz VGSYVRAFYLFFLY-RKDXNWHRSA-N -1 3 267.756 3.088 20 10 CGCDHM [O-]c1cccc(Br)c1CN1CCC[C@@H](F)C1 ZINC000707155900 799973525 /nfs/dbraw/zinc/97/35/25/799973525.db2.gz RGHUOSQCVJDPAQ-SECBINFHSA-N -1 3 288.160 3.089 20 10 CGCDHM CC[C@H]1CN(Cc2cc(F)cc(F)c2[O-])[C@@H](CC)CO1 ZINC000708422325 799989151 /nfs/dbraw/zinc/98/91/51/799989151.db2.gz MJYCEPUHURNHCO-STQMWFEESA-N -1 3 285.334 3.060 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CNCc1ccccc1F ZINC000708481304 799989926 /nfs/dbraw/zinc/98/99/26/799989926.db2.gz BVGNOWLEQKTEFZ-UHFFFAOYSA-N -1 3 267.250 3.099 20 10 CGCDHM C[C@@]1(F)CCN(Cc2c([O-])cccc2Cl)C[C@H]1F ZINC001140338062 804418058 /nfs/dbraw/zinc/41/80/58/804418058.db2.gz TUSLGUXWBZIMOC-CHWSQXEVSA-N -1 3 275.726 3.318 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CC(Oc2ccccc2)C1 ZINC001140343938 804420463 /nfs/dbraw/zinc/42/04/63/804420463.db2.gz AJYBDXOWWHKJBD-UHFFFAOYSA-N -1 3 289.762 3.309 20 10 CGCDHM CCN(Cc1ccccn1)Cc1cc(F)c(F)cc1[O-] ZINC001142525013 804731595 /nfs/dbraw/zinc/73/15/95/804731595.db2.gz TUJJQHXSWVVZIZ-UHFFFAOYSA-N -1 3 278.302 3.088 20 10 CGCDHM Cc1ccnc2cc(NC(=O)c3cccc(O)c3[O-])ccc12 ZINC001148218924 805167577 /nfs/dbraw/zinc/16/75/77/805167577.db2.gz OKHIWGFUTMAKQF-UHFFFAOYSA-N -1 3 294.310 3.207 20 10 CGCDHM CCOc1ccc(N(C)Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001262015540 807807724 /nfs/dbraw/zinc/80/77/24/807807724.db2.gz PVKHITBGQCLMRA-UHFFFAOYSA-N -1 3 299.374 3.095 20 10 CGCDHM Cc1ccc(-c2noc(-c3cccc(O)c3[O-])n2)c(F)c1 ZINC001215143695 815488968 /nfs/dbraw/zinc/48/89/68/815488968.db2.gz MEGMRFDJGXKZFR-UHFFFAOYSA-N -1 3 286.262 3.262 20 10 CGCDHM CC(=O)c1cccc(-c2noc(-c3ccc([O-])c(O)c3)n2)c1 ZINC001215304784 815505210 /nfs/dbraw/zinc/50/52/10/815505210.db2.gz ZISCWBRBEFVZRV-UHFFFAOYSA-N -1 3 296.282 3.017 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CC2(C1)CC(F)(F)C2 ZINC001203648794 812416081 /nfs/dbraw/zinc/41/60/81/812416081.db2.gz UXVUEOLMSPDYRJ-UHFFFAOYSA-N -1 3 273.710 3.277 20 10 CGCDHM C[C@@H](O)c1cc(NCc2cc(F)c(F)cc2[O-])ccc1F ZINC001205735391 813064370 /nfs/dbraw/zinc/06/43/70/813064370.db2.gz KBWASSBJBXGXFM-MRVPVSSYSA-N -1 3 297.276 3.475 20 10 CGCDHM C[C@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])Cc2ccccc21 ZINC001231446345 818100532 /nfs/dbraw/zinc/10/05/32/818100532.db2.gz HEKIPWKKHGQZBQ-LBPRGKRZSA-N -1 3 297.354 3.210 20 10 CGCDHM C[C@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])Cc2ccccc21 ZINC001231446345 818100537 /nfs/dbraw/zinc/10/05/37/818100537.db2.gz HEKIPWKKHGQZBQ-LBPRGKRZSA-N -1 3 297.354 3.210 20 10 CGCDHM CC(=O)[C@H]1CCCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231870335 818194002 /nfs/dbraw/zinc/19/40/02/818194002.db2.gz UVYMPYIRFFUNKK-CQSZACIVSA-N -1 3 281.783 3.298 20 10 CGCDHM [O-]c1c(CN2CCC[C@@H](C(F)F)C2)ccc(F)c1F ZINC001233077348 818519613 /nfs/dbraw/zinc/51/96/13/818519613.db2.gz KLPNNJYJKBSWIC-SECBINFHSA-N -1 3 277.261 3.148 20 10 CGCDHM C[C@@H]1CN(Cc2c([O-])ccc(F)c2F)CCC1(F)F ZINC001233332264 818586530 /nfs/dbraw/zinc/58/65/30/818586530.db2.gz FJWFCCQFNVYDDJ-MRVPVSSYSA-N -1 3 277.261 3.148 20 10 CGCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237124948 819672836 /nfs/dbraw/zinc/67/28/36/819672836.db2.gz SWMBDEHYLXSBRO-IINYFYTJSA-N -1 3 299.773 3.186 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237799173 819845539 /nfs/dbraw/zinc/84/55/39/819845539.db2.gz DSTZZDDWUBNCAB-IINYFYTJSA-N -1 3 299.773 3.186 20 10 CGCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@@H]2CCCO[C@@H]2C1 ZINC001237935173 819887134 /nfs/dbraw/zinc/88/71/34/819887134.db2.gz QXULQKSJRYGQNO-ZUZCIYMTSA-N -1 3 299.773 3.186 20 10 CGCDHM CCC[C@H](NC(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC001451259765 937389611 /nfs/dbraw/zinc/38/96/11/937389611.db2.gz YKLJQUWZJOCOGT-ZDUSSCGKSA-N -1 3 277.364 3.187 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN(CC(F)F)C1CC1 ZINC001461974541 937610107 /nfs/dbraw/zinc/61/01/07/937610107.db2.gz MKCUXPJQTNYWFU-UHFFFAOYSA-N -1 3 261.699 3.275 20 10 CGCDHM CC1(C)CN(Cc2ccc(F)c(F)c2[O-])C1(C)C ZINC001308618431 933143218 /nfs/dbraw/zinc/14/32/18/933143218.db2.gz FQHNHQKFVNOZMY-UHFFFAOYSA-N -1 3 255.308 3.291 20 10 CGCDHM O=C(C/C=C\Cc1ccccc1)NCc1c([O-])cccc1F ZINC001471975727 937771337 /nfs/dbraw/zinc/77/13/37/937771337.db2.gz FIZPSMQBKQDIIA-PLNGDYQASA-N -1 3 299.345 3.337 20 10 CGCDHM C[C@@H]1CCCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC001563851716 938305516 /nfs/dbraw/zinc/30/55/16/938305516.db2.gz ANGIQVBCMYSITJ-NEPJUHHUSA-N -1 3 294.370 3.157 20 10 CGCDHM O=C(NCCCCC1CCCC1)c1cccc(O)c1[O-] ZINC001566096687 960876297 /nfs/dbraw/zinc/87/62/97/960876297.db2.gz GOLLUYJHABJDGG-UHFFFAOYSA-N -1 3 277.364 3.188 20 10 CGCDHM O=C([O-])CC1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000316446266 964013980 /nfs/dbraw/zinc/01/39/80/964013980.db2.gz FQSPZAQJMHKDKN-UHFFFAOYSA-N -1 3 299.370 3.232 20 10 CGCDHM CCCCCN(C(=O)c1cccc(O)c1[O-])C(C)C ZINC000126334202 260350866 /nfs/dbraw/zinc/35/08/66/260350866.db2.gz VWQULDLLEJTBGR-UHFFFAOYSA-N -1 3 265.353 3.139 20 10 CGCDHM CC[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000294564233 372660667 /nfs/dbraw/zinc/66/06/67/372660667.db2.gz FZQIDDCLTSWVFY-LLVKDONJSA-N -1 3 287.762 3.186 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCCC2(CCCCC2)C1 ZINC000187087726 374968260 /nfs/dbraw/zinc/96/82/60/374968260.db2.gz QFEFHCVSFGPFCE-UHFFFAOYSA-N -1 3 289.375 3.284 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H]2OCCC[C@@H]2C1 ZINC000191379260 375620044 /nfs/dbraw/zinc/62/00/44/375620044.db2.gz XFEYAXQVSREDKR-YGRLFVJLSA-N -1 3 299.773 3.186 20 10 CGCDHM Cc1ccc(C(=O)N2CCC3(CCCC3)CC2)c([O-])c1O ZINC000271296211 378490250 /nfs/dbraw/zinc/49/02/50/378490250.db2.gz RFSKTQRQENYCTF-UHFFFAOYSA-N -1 3 289.375 3.203 20 10 CGCDHM CCCOc1ccc(CN(C)Cc2ccccn2)c([O-])c1 ZINC000273402347 378743916 /nfs/dbraw/zinc/74/39/16/378743916.db2.gz MJMQBZJFAQGZJC-UHFFFAOYSA-N -1 3 286.375 3.208 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375321329 379489806 /nfs/dbraw/zinc/48/98/06/379489806.db2.gz PRHHDXQJFMLFSD-OCCSQVGLSA-N -1 3 299.773 3.328 20 10 CGCDHM CCCCN(Cc1noc(CC)n1)Cc1ccccc1[O-] ZINC000282486770 379931289 /nfs/dbraw/zinc/93/12/89/379931289.db2.gz PHZSXWZWFYNLOH-UHFFFAOYSA-N -1 3 289.379 3.140 20 10 CGCDHM CC[C@H](N[C@@H](C)c1nnc(C)s1)c1ccc(F)cc1[O-] ZINC000286182045 380170771 /nfs/dbraw/zinc/17/07/71/380170771.db2.gz QJYNHKBLCWXHOF-UFBFGSQYSA-N -1 3 295.383 3.493 20 10 CGCDHM C[C@@H](N[C@@H](C)c1c(F)cncc1F)c1ccccc1[O-] ZINC000285707426 380153597 /nfs/dbraw/zinc/15/35/97/380153597.db2.gz PHEQEMDYOOZZNH-ZJUUUORDSA-N -1 3 278.302 3.477 20 10 CGCDHM CCN(Cc1c([O-])cccc1Cl)C[C@@H]1CCCO1 ZINC000132664219 392461579 /nfs/dbraw/zinc/46/15/79/392461579.db2.gz IADGXTKVSHTUAF-NSHDSACASA-N -1 3 269.772 3.047 20 10 CGCDHM C[C@H](N[C@@H]1CCc2cccc([O-])c21)c1c(F)cncc1F ZINC000297348420 392568307 /nfs/dbraw/zinc/56/83/07/392568307.db2.gz PAISRGGRKTTYBY-TVQRCGJNSA-N -1 3 290.313 3.404 20 10 CGCDHM [O-]c1ccccc1CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000179558781 392702772 /nfs/dbraw/zinc/70/27/72/392702772.db2.gz SASJLZZYWJAZQG-QGZVFWFLSA-N -1 3 287.334 3.105 20 10 CGCDHM Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)c([O-])c1O ZINC000179416926 261784532 /nfs/dbraw/zinc/78/45/32/261784532.db2.gz IXVDYMAXWAAJED-GWCFXTLKSA-N -1 3 277.364 3.057 20 10 CGCDHM Cc1nn(C)c(C)c1CN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185276779 262048612 /nfs/dbraw/zinc/04/86/12/262048612.db2.gz NIXQVLUYQVOSBY-VIFPVBQESA-N -1 3 293.798 3.247 20 10 CGCDHM C[C@H](N[C@@H](C)c1ncccc1F)c1ccccc1[O-] ZINC000528035887 330302718 /nfs/dbraw/zinc/30/27/18/330302718.db2.gz MUWWMGQMCDNGMB-QWRGUYRKSA-N -1 3 260.312 3.338 20 10 CGCDHM Cc1cncc(/C=C/C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000182936828 333118353 /nfs/dbraw/zinc/11/83/53/333118353.db2.gz BHZWAHYGWBBXFF-BQYQJAHWSA-N -1 3 294.354 3.088 20 10 CGCDHM CCCc1nc(CN(CCC)Cc2ccccc2[O-])no1 ZINC000068973523 521503811 /nfs/dbraw/zinc/50/38/11/521503811.db2.gz OZSGYIYZYYLXGM-UHFFFAOYSA-N -1 3 289.379 3.140 20 10 CGCDHM CCn1cc([C@@H](C)NCc2cccc(Cl)c2[O-])cn1 ZINC000294756361 523458157 /nfs/dbraw/zinc/45/81/57/523458157.db2.gz DRILUNJZOWEXPS-SNVBAGLBSA-N -1 3 279.771 3.113 20 10 CGCDHM CN(Cc1csc(Cl)n1)Cc1ccccc1[O-] ZINC000289512664 523530411 /nfs/dbraw/zinc/53/04/11/523530411.db2.gz FNVVSLZAPXHKPL-UHFFFAOYSA-N -1 3 268.769 3.134 20 10 CGCDHM Cn1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000748099303 572960077 /nfs/dbraw/zinc/96/00/77/572960077.db2.gz RUHWMAGIHOYMIE-UHFFFAOYSA-N -1 3 285.174 3.327 20 10 CGCDHM Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)cc1C(C)C ZINC000738463864 571774093 /nfs/dbraw/zinc/77/40/93/571774093.db2.gz QMRXEOYYUCFFBB-ZDUSSCGKSA-N -1 3 291.391 3.121 20 10 CGCDHM Cc1cc([O-])c(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1C(C)C ZINC000738463864 571774097 /nfs/dbraw/zinc/77/40/97/571774097.db2.gz QMRXEOYYUCFFBB-ZDUSSCGKSA-N -1 3 291.391 3.121 20 10 CGCDHM COc1ccc(C)cc1[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000731866554 572429982 /nfs/dbraw/zinc/42/99/82/572429982.db2.gz WIWNFBIUHCUACC-SNVBAGLBSA-N -1 3 291.372 3.262 20 10 CGCDHM C[C@H]1CC(NC(=O)c2cc([O-])cs2)C[C@H](C)C1 ZINC000740142149 572433905 /nfs/dbraw/zinc/43/39/05/572433905.db2.gz JHYXPGDPRCBCDF-RKDXNWHRSA-N -1 3 253.367 3.008 20 10 CGCDHM Cc1ccc(CN(C(=O)c2cc([O-])cs2)C2CC2)o1 ZINC000732273098 572456648 /nfs/dbraw/zinc/45/66/48/572456648.db2.gz WHWTUZCCGFOQTP-UHFFFAOYSA-N -1 3 277.345 3.160 20 10 CGCDHM O=C(Nc1ccc2scnc2c1)c1cc([O-])cs1 ZINC000732283974 572458153 /nfs/dbraw/zinc/45/81/53/572458153.db2.gz ZFFFKVFGOOYWQE-UHFFFAOYSA-N -1 3 276.342 3.316 20 10 CGCDHM CCOc1cc(NC(=O)c2cc([O-])cs2)ccc1C ZINC000732284637 572458277 /nfs/dbraw/zinc/45/82/77/572458277.db2.gz VLRNZXMBFIHBCJ-UHFFFAOYSA-N -1 3 277.345 3.413 20 10 CGCDHM CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732286762 572459156 /nfs/dbraw/zinc/45/91/56/572459156.db2.gz JEBZCQPCYVSRAQ-WDEREUQCSA-N -1 3 267.394 3.398 20 10 CGCDHM Cc1ccc(C(=O)COC(=O)c2cc([O-])cs2)cc1C ZINC000732353108 572461106 /nfs/dbraw/zinc/46/11/06/572461106.db2.gz CVCZLMZCZIMNGJ-UHFFFAOYSA-N -1 3 290.340 3.110 20 10 CGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)c1cccc([N+](=O)[O-])c1 ZINC000732354903 572461414 /nfs/dbraw/zinc/46/14/14/572461414.db2.gz VYABRQYDZPWMCS-MRVPVSSYSA-N -1 3 293.300 3.280 20 10 CGCDHM [O-]c1ccc(CNCc2ccc3c(c2)CCO3)cc1Cl ZINC000733327892 572556149 /nfs/dbraw/zinc/55/61/49/572556149.db2.gz ZPJRLGHXTMAZMI-UHFFFAOYSA-N -1 3 289.762 3.270 20 10 CGCDHM C[C@H](CCC(C)(C)C)NC(=O)c1cc([O-])cs1 ZINC000736710429 572806259 /nfs/dbraw/zinc/80/62/59/572806259.db2.gz BYULYPXGRCPNEU-SECBINFHSA-N -1 3 255.383 3.398 20 10 CGCDHM C[C@@H](NC(=O)c1cc([O-])cs1)[C@@H](C)c1ccccc1 ZINC000746895999 572900118 /nfs/dbraw/zinc/90/01/18/572900118.db2.gz KOYYIGRWHPGFCI-GHMZBOCLSA-N -1 3 275.373 3.376 20 10 CGCDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)[C@@H]2CCCC[C@@H]12 ZINC000749542450 573018256 /nfs/dbraw/zinc/01/82/56/573018256.db2.gz HIZAESPBPLGXRZ-KGYLQXTDSA-N -1 3 279.405 3.495 20 10 CGCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H]1c1ccccc1 ZINC000899376019 620671602 /nfs/dbraw/zinc/67/16/02/620671602.db2.gz NXTBRRQLXAYHMI-WBMJQRKESA-N -1 3 297.354 3.321 20 10 CGCDHM CC[C@H](N[C@H](C)c1csnn1)c1ccc(F)cc1[O-] ZINC000840886429 618888004 /nfs/dbraw/zinc/88/80/04/618888004.db2.gz VYHXABKGDKFLNH-KCJUWKMLSA-N -1 3 281.356 3.185 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC(OCC2CC2)CC1 ZINC000894068269 619364389 /nfs/dbraw/zinc/36/43/89/619364389.db2.gz SPNHALYVGCEBGH-UHFFFAOYSA-N -1 3 297.345 3.061 20 10 CGCDHM Cc1cccc2nc(CN[C@@H](C)c3ccc(F)cc3[O-])cn21 ZINC000185412413 625357162 /nfs/dbraw/zinc/35/71/62/625357162.db2.gz DUJMFIXQTFPRGG-LBPRGKRZSA-N -1 3 299.349 3.338 20 10 CGCDHM Cc1ccoc1CN(C)Cc1cc(F)cc(F)c1[O-] ZINC000894845496 619651006 /nfs/dbraw/zinc/65/10/06/619651006.db2.gz BRZIJQGOXMNQSI-UHFFFAOYSA-N -1 3 267.275 3.204 20 10 CGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C2CC2)O1 ZINC000793220130 619706368 /nfs/dbraw/zinc/70/63/68/619706368.db2.gz RATWOMGDYVSWBN-MEBBXXQBSA-N -1 3 281.783 3.045 20 10 CGCDHM C[C@H](Nc1cccc(CCO)c1)c1ccc(F)cc1[O-] ZINC000313146427 623633351 /nfs/dbraw/zinc/63/33/51/623633351.db2.gz UAOXOYZIFFUMKS-NSHDSACASA-N -1 3 275.323 3.239 20 10 CGCDHM CON(C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000917066095 624232506 /nfs/dbraw/zinc/23/25/06/624232506.db2.gz SKLCIBJTNMGURM-UHFFFAOYSA-N -1 3 257.289 3.285 20 10 CGCDHM COc1c([O-])c(CNc2ccccc2C)ccc1[N+](=O)[O-] ZINC000774912453 628048806 /nfs/dbraw/zinc/04/88/06/628048806.db2.gz BWCCTDKKOYQEQB-UHFFFAOYSA-N -1 3 288.303 3.230 20 10 CGCDHM CC[C@@H](NCc1cocn1)c1cc(Cl)ccc1[O-] ZINC000775538113 628104596 /nfs/dbraw/zinc/10/45/96/628104596.db2.gz ULKWASHLYXXPQE-GFCCVEGCSA-N -1 3 266.728 3.275 20 10 CGCDHM CC(C)[C@H]1CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000775763497 628134550 /nfs/dbraw/zinc/13/45/50/628134550.db2.gz HMGCHCQGBRTTQY-LLVKDONJSA-N -1 3 284.743 3.184 20 10 CGCDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000776615695 628223416 /nfs/dbraw/zinc/22/34/16/628223416.db2.gz OHMLPDVAXBEXTM-OAHLLOKOSA-N -1 3 285.343 3.225 20 10 CGCDHM CO[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1C ZINC000784666952 628828085 /nfs/dbraw/zinc/82/80/85/628828085.db2.gz CNEXOBMWKOKPHT-NOZJJQNGSA-N -1 3 287.762 3.042 20 10 CGCDHM CC[C@@]1(C)CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000785984456 628904130 /nfs/dbraw/zinc/90/41/30/628904130.db2.gz FHDJRNSNZJSWMX-AWEZNQCLSA-N -1 3 269.772 3.047 20 10 CGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1C ZINC000790415765 629209557 /nfs/dbraw/zinc/20/95/57/629209557.db2.gz LZZCXCAKRUVOEN-UHFFFAOYSA-N -1 3 291.372 3.064 20 10 CGCDHM CC1(C)C[C@@H](NC(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000790897595 629240151 /nfs/dbraw/zinc/24/01/51/629240151.db2.gz OGTBHXXALFMOMW-CQSZACIVSA-N -1 3 297.354 3.250 20 10 CGCDHM CN(Cc1c([O-])ccc(Cl)c1F)C[C@@H]1CCCCO1 ZINC000792166887 629343890 /nfs/dbraw/zinc/34/38/90/629343890.db2.gz ILURTYOTJXEMIO-JTQLQIEISA-N -1 3 287.762 3.186 20 10 CGCDHM CC1=CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000798090710 630021553 /nfs/dbraw/zinc/02/15/53/630021553.db2.gz YLNBZVPLEQAZKL-UHFFFAOYSA-N -1 3 255.720 3.337 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC(C2CC2)C1 ZINC000812775099 631306135 /nfs/dbraw/zinc/30/61/35/631306135.db2.gz FZHJSNKGGPWJOC-UHFFFAOYSA-N -1 3 255.720 3.027 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC(C2CC2)C1 ZINC000816616125 632024472 /nfs/dbraw/zinc/02/44/72/632024472.db2.gz OSPSJORBFJOALJ-UHFFFAOYSA-N -1 3 255.720 3.027 20 10 CGCDHM CC[C@H](NCc1ccc(Br)cc1[O-])C(F)F ZINC000826029509 633399272 /nfs/dbraw/zinc/39/92/72/633399272.db2.gz GUBBEJPLWUXTSE-VIFPVBQESA-N -1 3 294.139 3.288 20 10 CGCDHM Cc1ccoc1CN(C)Cc1ccc(F)c(F)c1[O-] ZINC000877546653 635082643 /nfs/dbraw/zinc/08/26/43/635082643.db2.gz VOEUZERBHHNUJY-UHFFFAOYSA-N -1 3 267.275 3.204 20 10 CGCDHM C[C@@H](NCc1cscn1)c1ccc(Cl)cc1[O-] ZINC000841746623 635221552 /nfs/dbraw/zinc/22/15/52/635221552.db2.gz JJNLOCYAGUHLLC-MRVPVSSYSA-N -1 3 268.769 3.353 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CNCc1nc(C2CC2)cs1 ZINC000883048251 636520842 /nfs/dbraw/zinc/52/08/42/636520842.db2.gz KVBFVKXKXDTZMQ-UHFFFAOYSA-N -1 3 296.342 3.294 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CNc1ccc2c(n1)CCC2 ZINC000883137482 636552571 /nfs/dbraw/zinc/55/25/71/636552571.db2.gz GPESSVSUPLVSQR-UHFFFAOYSA-N -1 3 276.286 3.166 20 10 CGCDHM CC[C@@H](N[C@H](C)c1nccn1C)c1ccc(F)cc1[O-] ZINC000850571875 637129900 /nfs/dbraw/zinc/12/99/00/637129900.db2.gz DGTIKSVVNLAJED-ZWNOBZJWSA-N -1 3 277.343 3.067 20 10 CGCDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2cscn2)c1[O-] ZINC000852417320 637649660 /nfs/dbraw/zinc/64/96/60/637649660.db2.gz KJIMXLPLGUBBOB-MRVPVSSYSA-N -1 3 294.351 3.041 20 10 CGCDHM Cc1cnc(CN[C@H](C)c2c([O-])cccc2F)c(C)c1 ZINC000926954806 638828925 /nfs/dbraw/zinc/82/89/25/638828925.db2.gz VXZUIXFBHMAVQX-GFCCVEGCSA-N -1 3 274.339 3.394 20 10 CGCDHM CC(C)(CC(F)(F)F)C(=O)NCc1c([O-])cccc1F ZINC000928712960 638889785 /nfs/dbraw/zinc/88/97/85/638889785.db2.gz YRLQHWZMADEXJK-UHFFFAOYSA-N -1 3 293.260 3.126 20 10 CGCDHM C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccns1 ZINC000858578391 638997913 /nfs/dbraw/zinc/99/79/13/638997913.db2.gz VBPXGIAIKBLJGS-RKDXNWHRSA-N -1 3 293.348 3.169 20 10 CGCDHM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccns1 ZINC000858578387 638998000 /nfs/dbraw/zinc/99/80/00/638998000.db2.gz VBPXGIAIKBLJGS-DTWKUNHWSA-N -1 3 293.348 3.169 20 10 CGCDHM CC[C@H]1Cc2ccccc2CN1C(=O)c1cccc(O)c1[O-] ZINC000193165609 640437860 /nfs/dbraw/zinc/43/78/60/640437860.db2.gz BDVGEANFMUKTKV-AWEZNQCLSA-N -1 3 297.354 3.075 20 10 CGCDHM C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CC(C)(C)C1 ZINC000709391728 800008195 /nfs/dbraw/zinc/00/81/95/800008195.db2.gz IHRNXBHSTNNPGD-QWRGUYRKSA-N -1 3 277.364 3.042 20 10 CGCDHM [O-]c1c(F)cccc1CN(Cc1ccco1)C1CC1 ZINC001138129476 803863491 /nfs/dbraw/zinc/86/34/91/803863491.db2.gz FTYSYCJFGKPLNM-UHFFFAOYSA-N -1 3 261.296 3.289 20 10 CGCDHM [O-]c1c(F)ccc(F)c1CN1CCC[C@H](C(F)F)C1 ZINC001139683074 804251644 /nfs/dbraw/zinc/25/16/44/804251644.db2.gz HLQMVMZTTCSLMF-QMMMGPOBSA-N -1 3 277.261 3.148 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCc2cc(F)c(F)cc2C1 ZINC001140056296 804362363 /nfs/dbraw/zinc/36/23/63/804362363.db2.gz PZDLAXLHMLUCHQ-UHFFFAOYSA-N -1 3 293.288 3.368 20 10 CGCDHM C[C@@H]1c2cccn2CCN1Cc1ccc(Cl)cc1[O-] ZINC001140465872 804443621 /nfs/dbraw/zinc/44/36/21/804443621.db2.gz STRBFJNKFRUYQJ-LLVKDONJSA-N -1 3 276.767 3.424 20 10 CGCDHM [O-]c1cc(F)cc(F)c1CN1CCC(OC2CCC2)CC1 ZINC001140583079 804466581 /nfs/dbraw/zinc/46/65/81/804466581.db2.gz VTNJTXOVZKXCGK-UHFFFAOYSA-N -1 3 297.345 3.204 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC(C(F)(F)F)CC1 ZINC001142508487 804728100 /nfs/dbraw/zinc/72/81/00/804728100.db2.gz ANVSSNAMMVKYDB-UHFFFAOYSA-N -1 3 295.251 3.445 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCOC2(CCCCC2)C1 ZINC001142527018 804731302 /nfs/dbraw/zinc/73/13/02/804731302.db2.gz HAWIHHVNWVFVDN-UHFFFAOYSA-N -1 3 297.345 3.206 20 10 CGCDHM Cc1ncccc1CN(C)Cc1cc(F)c(F)cc1[O-] ZINC001142531315 804733305 /nfs/dbraw/zinc/73/33/05/804733305.db2.gz TVQFXUDRKWOLBH-UHFFFAOYSA-N -1 3 278.302 3.006 20 10 CGCDHM CC(C)(C)c1cc([O-])c(CN2C[C@H]3C[C@@H](C2)O3)cc1Cl ZINC001248883606 805032495 /nfs/dbraw/zinc/03/24/95/805032495.db2.gz LRRWNJDWEQFBAT-TXEJJXNPSA-N -1 3 295.810 3.316 20 10 CGCDHM Nc1cccc2cccc(NC(=O)c3cccc(O)c3[O-])c12 ZINC001148218497 805167406 /nfs/dbraw/zinc/16/74/06/805167406.db2.gz BWTDGLHXMXDSKO-UHFFFAOYSA-N -1 3 294.310 3.086 20 10 CGCDHM O=C(Nc1ccc(-n2cccc2)cc1)c1cccc(O)c1[O-] ZINC001148213160 805168475 /nfs/dbraw/zinc/16/84/75/805168475.db2.gz YTODTSKZNSMEML-UHFFFAOYSA-N -1 3 294.310 3.141 20 10 CGCDHM [O-]c1c(O)cccc1-c1nnc(-c2ccc3c(c2)CCC3)o1 ZINC001258174408 807340028 /nfs/dbraw/zinc/34/00/28/807340028.db2.gz AMLRCUVFCGCVMK-UHFFFAOYSA-N -1 3 294.310 3.304 20 10 CGCDHM [O-]c1c(F)c(F)ccc1Nc1ccnc2ccccc21 ZINC001174039007 808836992 /nfs/dbraw/zinc/83/69/92/808836992.db2.gz IRGQURUNPQWOAB-UHFFFAOYSA-N -1 3 272.254 3.384 20 10 CGCDHM CN(Cc1ccsc1)Cc1cc(F)cc(F)c1[O-] ZINC001205629594 813035213 /nfs/dbraw/zinc/03/52/13/813035213.db2.gz XWHFFCNFRDFKBO-UHFFFAOYSA-N -1 3 269.316 3.364 20 10 CGCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001231447201 818099976 /nfs/dbraw/zinc/09/99/76/818099976.db2.gz PBUFKLDSXJHPIC-OAHLLOKOSA-N -1 3 297.354 3.080 20 10 CGCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c([O-])c1 ZINC001231447201 818099983 /nfs/dbraw/zinc/09/99/83/818099983.db2.gz PBUFKLDSXJHPIC-OAHLLOKOSA-N -1 3 297.354 3.080 20 10 CGCDHM CC[C@@]12C[C@@H](CO1)N(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001231870314 818194572 /nfs/dbraw/zinc/19/45/72/818194572.db2.gz TVEWQKMTSTYLJQ-WFASDCNBSA-N -1 3 281.783 3.107 20 10 CGCDHM CCN(Cc1cc(Cl)c(OC)cc1[O-])CC(F)(F)F ZINC001232269719 818299534 /nfs/dbraw/zinc/29/95/34/818299534.db2.gz ITYGUTTWZRNYHQ-UHFFFAOYSA-N -1 3 297.704 3.438 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@@H](C(F)(F)F)C1 ZINC001233334599 818585220 /nfs/dbraw/zinc/58/52/20/818585220.db2.gz NASOLOFPJDSWNW-MRVPVSSYSA-N -1 3 295.251 3.445 20 10 CGCDHM CC1(C)CN(Cc2c([O-])ccc(F)c2F)CC(C)(C)O1 ZINC001233335710 818588703 /nfs/dbraw/zinc/58/87/03/818588703.db2.gz HYELPHRGIGEDJZ-UHFFFAOYSA-N -1 3 285.334 3.060 20 10 CGCDHM C[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CCCO1 ZINC001233415781 818613628 /nfs/dbraw/zinc/61/36/28/818613628.db2.gz IQJPSXPZRJWLBX-JTQLQIEISA-N -1 3 289.297 3.022 20 10 CGCDHM COC[C@H]1CCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236793583 819597811 /nfs/dbraw/zinc/59/78/11/819597811.db2.gz LLZGHIPICLBXOC-SNVBAGLBSA-N -1 3 290.190 3.310 20 10 CGCDHM COc1cc([O-])c(CN(C)Cc2ccccn2)c(Cl)c1 ZINC001236800353 819598816 /nfs/dbraw/zinc/59/88/16/819598816.db2.gz XTKYXMNDSCJTIO-UHFFFAOYSA-N -1 3 292.766 3.081 20 10 CGCDHM CO[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078912 819662482 /nfs/dbraw/zinc/66/24/82/819662482.db2.gz ZUTJPWQUAINRRK-SECBINFHSA-N -1 3 290.190 3.310 20 10 CGCDHM [O-]c1ccc(F)c(Cl)c1CN1CCC(F)(F)CC1 ZINC001237121452 819672710 /nfs/dbraw/zinc/67/27/10/819672710.db2.gz NXOUJUOMORLOMX-UHFFFAOYSA-N -1 3 279.689 3.416 20 10 CGCDHM Cc1cc(C(=O)[O-])ccc1C[N@@H+](C)Cc1ccccc1[O-] ZINC001238145535 819940916 /nfs/dbraw/zinc/94/09/16/819940916.db2.gz REVMQSRXOPYDCJ-UHFFFAOYSA-N -1 3 285.343 3.031 20 10 CGCDHM Cc1cc(C(=O)[O-])ccc1C[N@H+](C)Cc1ccccc1[O-] ZINC001238145535 819940919 /nfs/dbraw/zinc/94/09/19/819940919.db2.gz REVMQSRXOPYDCJ-UHFFFAOYSA-N -1 3 285.343 3.031 20 10 CGCDHM Cc1ccc(CNCc2cc(Cl)cc(F)c2[O-])o1 ZINC001474224387 937844785 /nfs/dbraw/zinc/84/47/85/937844785.db2.gz PWKVFAYDHUFTOP-UHFFFAOYSA-N -1 3 269.703 3.376 20 10 CGCDHM Cc1ccc(C(=O)NCc2c([O-])cccc2F)cc1C ZINC001303878340 932734962 /nfs/dbraw/zinc/73/49/62/932734962.db2.gz NABISXATUIVGGY-UHFFFAOYSA-N -1 3 273.307 3.078 20 10 CGCDHM C=Cc1ccccc1NC(=O)NCc1c([O-])cccc1F ZINC001467157997 937715593 /nfs/dbraw/zinc/71/55/93/937715593.db2.gz ZLBUCQYYBWRUOG-UHFFFAOYSA-N -1 3 286.306 3.496 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)C1CCC(C2CC2)CC1 ZINC001471976050 937771166 /nfs/dbraw/zinc/77/11/66/937771166.db2.gz QAWJRMCEFPURRH-UHFFFAOYSA-N -1 3 291.366 3.364 20 10 CGCDHM O=C(C/C=C/Cc1ccccc1)NCc1c([O-])cccc1F ZINC001471975728 937771413 /nfs/dbraw/zinc/77/14/13/937771413.db2.gz FIZPSMQBKQDIIA-SNAWJCMRSA-N -1 3 299.345 3.337 20 10 CGCDHM C[S@](=O)c1cccc(NCc2ccc(Cl)cc2[O-])c1 ZINC001474537707 937865905 /nfs/dbraw/zinc/86/59/05/937865905.db2.gz NVKLAPGLLGASQE-IBGZPJMESA-N -1 3 295.791 3.395 20 10 CGCDHM CSc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001558455740 938215433 /nfs/dbraw/zinc/21/54/33/938215433.db2.gz PYZKUCOUQPYJBA-UHFFFAOYSA-N -1 3 291.347 3.183 20 10 CGCDHM CC(C)C[C@H]1COCCN1Cc1ccc(Cl)cc1[O-] ZINC001560697913 938270913 /nfs/dbraw/zinc/27/09/13/938270913.db2.gz UEURXWIOWNCAOH-AWEZNQCLSA-N -1 3 283.799 3.293 20 10 CGCDHM CC1(C)CN(Cc2cc(F)cc(F)c2[O-])[C@@H]1C1CC1 ZINC001560868662 938280499 /nfs/dbraw/zinc/28/04/99/938280499.db2.gz LJPDLTDGMNHTAB-CQSZACIVSA-N -1 3 267.319 3.291 20 10 CGCDHM [O-]c1c(F)cccc1CNCc1noc2cc(F)ccc12 ZINC001560982099 938287781 /nfs/dbraw/zinc/28/77/81/938287781.db2.gz YFWLDFGLQKYNAA-UHFFFAOYSA-N -1 3 290.269 3.101 20 10 CGCDHM C[C@H]([NH2+][C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccccc1[O-] ZINC001589123180 963342924 /nfs/dbraw/zinc/34/29/24/963342924.db2.gz JRPABNKOEKHIPO-UVBJJODRSA-N -1 3 297.354 3.356 20 10 CGCDHM C[C@@H]([NH2+][C@@H](C)CC(C)(C)CC(=O)[O-])c1ccccc1[O-] ZINC001592445339 978111862 /nfs/dbraw/zinc/11/18/62/978111862.db2.gz KHXOLQMPJWRGJZ-NWDGAFQWSA-N -1 3 279.380 3.322 20 10 CGCDHM CCC(CC)(C[NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)[O-] ZINC001595077855 979356990 /nfs/dbraw/zinc/35/69/90/979356990.db2.gz QUQPHQOFVIZXLI-SNVBAGLBSA-N -1 3 283.343 3.073 20 10 CGCDHM CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])[C@@H](C)CC ZINC001595747639 982414730 /nfs/dbraw/zinc/41/47/30/982414730.db2.gz HFYTYTUTBDKQAR-XJKSGUPXSA-N -1 3 293.407 3.494 20 10 CGCDHM CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])[C@@H](C)CC ZINC001595747639 982414735 /nfs/dbraw/zinc/41/47/35/982414735.db2.gz HFYTYTUTBDKQAR-XJKSGUPXSA-N -1 3 293.407 3.494 20 10 CGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2occc2C)c1[O-] ZINC000292153217 372183498 /nfs/dbraw/zinc/18/34/98/372183498.db2.gz KGOBCAVYSHDUBB-UHFFFAOYSA-N -1 3 291.322 3.267 20 10 CGCDHM COc1ccncc1CN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000294519666 372657919 /nfs/dbraw/zinc/65/79/19/372657919.db2.gz ZFNGEICUCAWLCF-JTQLQIEISA-N -1 3 292.766 3.300 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H]1[C@@H]1CCCO1 ZINC000294745506 372670861 /nfs/dbraw/zinc/67/08/61/372670861.db2.gz RBJIMLVPYSYPCG-ZFWWWQNUSA-N -1 3 299.773 3.328 20 10 CGCDHM COC[C@H](N[C@@H]1CCc2cccc([O-])c21)c1ccc(C)o1 ZINC000297516795 373273872 /nfs/dbraw/zinc/27/38/72/373273872.db2.gz CWORKZVUKVTSSJ-KGLIPLIRSA-N -1 3 287.359 3.258 20 10 CGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc([O-])c1 ZINC000175962365 373541192 /nfs/dbraw/zinc/54/11/92/373541192.db2.gz XRYIDEOAGIGYAH-UHFFFAOYSA-N -1 3 298.386 3.121 20 10 CGCDHM CCN(Cc1cnn(C)c1)Cc1cc(Cl)cc(C)c1[O-] ZINC000179839356 373925728 /nfs/dbraw/zinc/92/57/28/373925728.db2.gz GJCQYWPBOZBEPH-UHFFFAOYSA-N -1 3 293.798 3.110 20 10 CGCDHM Cc1ccc(C(=O)N2CC3(CC3)c3ccccc32)c([O-])c1O ZINC000182488294 374281710 /nfs/dbraw/zinc/28/17/10/374281710.db2.gz MUNYKOLIZVOWRW-UHFFFAOYSA-N -1 3 295.338 3.098 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CC=C(C(F)(F)F)CC1 ZINC000272314145 378610877 /nfs/dbraw/zinc/61/08/77/378610877.db2.gz SHFREYKEGXSQSX-UHFFFAOYSA-N -1 3 275.245 3.226 20 10 CGCDHM COCC[C@@H](NCc1cccc(F)c1[O-])c1ccc(C)o1 ZINC000272667251 378686360 /nfs/dbraw/zinc/68/63/60/378686360.db2.gz SJDBVRNRPGPNIV-CQSZACIVSA-N -1 3 293.338 3.300 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CCC(c2cn[nH]c2)CC1 ZINC000371420029 379162823 /nfs/dbraw/zinc/16/28/23/379162823.db2.gz YDWYXKDMGHLIGC-UHFFFAOYSA-N -1 3 291.782 3.148 20 10 CGCDHM CC[C@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(F)cc1[O-] ZINC000286281974 380187600 /nfs/dbraw/zinc/18/76/00/380187600.db2.gz WAONSWMZJWTKSG-UONOGXRCSA-N -1 3 289.354 3.373 20 10 CGCDHM CCc1nn(C)cc1N[C@@H](CC)c1ccc(F)cc1[O-] ZINC000286318535 380195571 /nfs/dbraw/zinc/19/55/71/380195571.db2.gz XVLLRSHEFYTHOI-LBPRGKRZSA-N -1 3 277.343 3.390 20 10 CGCDHM COc1cc(Cl)cc(CN(C)Cc2nccs2)c1[O-] ZINC000184696658 262025664 /nfs/dbraw/zinc/02/56/64/262025664.db2.gz QUPWNNDLOBBFNO-UHFFFAOYSA-N -1 3 298.795 3.143 20 10 CGCDHM CCC[C@@H]1CCCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000185430951 262054370 /nfs/dbraw/zinc/05/43/70/262054370.db2.gz LGHCPIJMPYXZNF-GFCCVEGCSA-N -1 3 277.364 3.201 20 10 CGCDHM C[C@H](N[C@@H](C)c1ccc2ccccc2c1[O-])c1ncn(C)n1 ZINC000275636714 334793059 /nfs/dbraw/zinc/79/30/59/334793059.db2.gz BZTFVZHGXJAQDS-RYUDHWBXSA-N -1 3 296.374 3.086 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2C[C@H]3CCCC[C@H]32)c1[O-] ZINC000368241205 518288321 /nfs/dbraw/zinc/28/83/21/518288321.db2.gz KGWUGTCQUKXTCA-IAQYHMDHSA-N -1 3 277.339 3.108 20 10 CGCDHM CC1(C)CN(Cc2cccc(Cl)c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000291700907 520481485 /nfs/dbraw/zinc/48/14/85/520481485.db2.gz ZBEQVPBDGSRXIB-DZGCQCFKSA-N -1 3 295.810 3.435 20 10 CGCDHM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000193073068 524941427 /nfs/dbraw/zinc/94/14/27/524941427.db2.gz VNAUELVKRZUSAI-JSGCOSHPSA-N -1 3 297.354 3.116 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1cccnc1 ZINC000062745039 525608327 /nfs/dbraw/zinc/60/83/27/525608327.db2.gz NSVVVCZUSXBFMV-MNOVXSKESA-N -1 3 260.312 3.338 20 10 CGCDHM C[C@@H](Nc1ccc(CCO)cc1)c1ccc(F)cc1[O-] ZINC000062748030 525702838 /nfs/dbraw/zinc/70/28/38/525702838.db2.gz FEXQQWSXJBGKKT-LLVKDONJSA-N -1 3 275.323 3.239 20 10 CGCDHM CC1CCC(CNC(=O)c2cc([O-])cs2)CC1 ZINC000732275453 572457140 /nfs/dbraw/zinc/45/71/40/572457140.db2.gz DRDHAKGNNOUIQR-UHFFFAOYSA-N -1 3 253.367 3.010 20 10 CGCDHM CN(Cc1ccc(Cl)s1)C(=O)c1cc([O-])cs1 ZINC000731864575 572430042 /nfs/dbraw/zinc/43/00/42/572430042.db2.gz XMHBEJMTKBBEON-UHFFFAOYSA-N -1 3 287.793 3.441 20 10 CGCDHM Cc1cccc(C(C)(C)CNC(=O)c2cc([O-])cs2)c1 ZINC000731872358 572431279 /nfs/dbraw/zinc/43/12/79/572431279.db2.gz GPASJSFBCWCUSN-UHFFFAOYSA-N -1 3 289.400 3.470 20 10 CGCDHM O=C(Nc1cccc2cccnc21)c1cc([O-])cs1 ZINC000732263279 572454768 /nfs/dbraw/zinc/45/47/68/572454768.db2.gz BLVKLXDTOHXXND-UHFFFAOYSA-N -1 3 270.313 3.254 20 10 CGCDHM CCS[C@@H]1CCCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732579812 572472142 /nfs/dbraw/zinc/47/21/42/572472142.db2.gz MIDRYUXZTPJOMZ-LLVKDONJSA-N -1 3 285.434 3.202 20 10 CGCDHM C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cc([O-])cs1 ZINC000734017718 572624912 /nfs/dbraw/zinc/62/49/12/572624912.db2.gz PFQPBEBEIOHSEO-GHMZBOCLSA-N -1 3 267.394 3.400 20 10 CGCDHM CCC[N@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1[O-] ZINC000737021488 572840023 /nfs/dbraw/zinc/84/00/23/572840023.db2.gz VBRWMTFYNDZCFO-UHFFFAOYSA-N -1 3 289.331 3.096 20 10 CGCDHM CCC[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1[O-] ZINC000737021488 572840026 /nfs/dbraw/zinc/84/00/26/572840026.db2.gz VBRWMTFYNDZCFO-UHFFFAOYSA-N -1 3 289.331 3.096 20 10 CGCDHM Cc1ccc(F)c(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000179398145 618781963 /nfs/dbraw/zinc/78/19/63/618781963.db2.gz NOAOLZJVPSKCBZ-UHFFFAOYSA-N -1 3 275.279 3.106 20 10 CGCDHM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000182408521 619036556 /nfs/dbraw/zinc/03/65/56/619036556.db2.gz GWEFTBYGLOTOKI-UHFFFAOYSA-N -1 3 291.372 3.316 20 10 CGCDHM Cn1cccc1[C@@H]1CCCN1Cc1cc(F)cc(F)c1[O-] ZINC000893910248 619330856 /nfs/dbraw/zinc/33/08/56/619330856.db2.gz ZGAUOBYQPREBIX-HNNXBMFYSA-N -1 3 292.329 3.346 20 10 CGCDHM Cc1cc([O-])c(CN(C)Cc2ccns2)c(Cl)c1 ZINC000895452707 619832238 /nfs/dbraw/zinc/83/22/38/619832238.db2.gz SGZBNVCQWYBJQG-UHFFFAOYSA-N -1 3 282.796 3.443 20 10 CGCDHM CCCc1cnc(NC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000182995732 625040873 /nfs/dbraw/zinc/04/08/73/625040873.db2.gz QOSAJMQWAOUFDL-UHFFFAOYSA-N -1 3 292.360 3.068 20 10 CGCDHM CCC1(C)CN(Cc2cccc(Br)c2[O-])C1 ZINC000839143345 626323269 /nfs/dbraw/zinc/32/32/69/626323269.db2.gz PJVPDBCHVZDKNT-UHFFFAOYSA-N -1 3 284.197 3.387 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2[C@H](C)C[C@@H]2C)c1[O-] ZINC000791567639 629289345 /nfs/dbraw/zinc/28/93/45/629289345.db2.gz TWKAMDWJJNBJAV-DTORHVGOSA-N -1 3 267.756 3.231 20 10 CGCDHM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000799037368 630134228 /nfs/dbraw/zinc/13/42/28/630134228.db2.gz UNOIISNEELBVAT-JOCQHMNTSA-N -1 3 297.354 3.082 20 10 CGCDHM Cc1ccoc1CNCc1cc(Cl)cc(F)c1[O-] ZINC000814172763 631538919 /nfs/dbraw/zinc/53/89/19/631538919.db2.gz BYCSJYAUYBLDRF-UHFFFAOYSA-N -1 3 269.703 3.376 20 10 CGCDHM CC1(C)CN(Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000816514096 632000792 /nfs/dbraw/zinc/00/07/92/632000792.db2.gz LXYMTUAVYXETBM-UHFFFAOYSA-N -1 3 287.762 3.186 20 10 CGCDHM Cc1noc(C)c1CNCc1cc(Cl)c(F)cc1[O-] ZINC000816539718 632005951 /nfs/dbraw/zinc/00/59/51/632005951.db2.gz QOZMPYFJZDVGOW-UHFFFAOYSA-N -1 3 284.718 3.079 20 10 CGCDHM O=C(NC[C@@H](c1ccccc1)C1CC1)c1cccc(O)c1[O-] ZINC000817089002 632077426 /nfs/dbraw/zinc/07/74/26/632077426.db2.gz PBJNMNBULCJDFA-HNNXBMFYSA-N -1 3 297.354 3.021 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC(CC(F)F)C1 ZINC000822520903 632958406 /nfs/dbraw/zinc/95/84/06/632958406.db2.gz RFUYDSVHIXOZFH-UHFFFAOYSA-N -1 3 279.689 3.272 20 10 CGCDHM CC[C@@H](NCc1cc(Cl)c(C)cc1[O-])C(F)F ZINC000826029270 633399111 /nfs/dbraw/zinc/39/91/11/633399111.db2.gz BUUPLJQBKDXYJQ-SNVBAGLBSA-N -1 3 263.715 3.487 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@](C)(F)C2)c1[O-] ZINC000830212808 633840568 /nfs/dbraw/zinc/84/05/68/633840568.db2.gz VLYGSWJMFSSLIQ-HNNXBMFYSA-N -1 3 283.318 3.058 20 10 CGCDHM [O-]c1c(CN2CCC[C@H](OCC3CC3)C2)ccc(F)c1F ZINC000877425520 635038756 /nfs/dbraw/zinc/03/87/56/635038756.db2.gz CLWWPCSLFWYVPV-ZDUSSCGKSA-N -1 3 297.345 3.061 20 10 CGCDHM CCn1ccc(CN(C)Cc2ccc(F)c(F)c2[O-])c1 ZINC000877472463 635049839 /nfs/dbraw/zinc/04/98/39/635049839.db2.gz TXXKKQDVXGMRNX-UHFFFAOYSA-N -1 3 280.318 3.124 20 10 CGCDHM Cc1cc([O-])c(CN(C)Cc2cccn2C)c(Cl)c1 ZINC000840918545 635082865 /nfs/dbraw/zinc/08/28/65/635082865.db2.gz VPMLRUFXQIMRBX-UHFFFAOYSA-N -1 3 278.783 3.325 20 10 CGCDHM [O-]c1cccc(Cl)c1CNCc1nnc(C2CC2)s1 ZINC000840973772 635098475 /nfs/dbraw/zinc/09/84/75/635098475.db2.gz UBUVSGXXNTWQOT-UHFFFAOYSA-N -1 3 295.795 3.064 20 10 CGCDHM COC(=O)[C@@H](CC(C)(C)C)NCc1cc(Cl)ccc1[O-] ZINC000843424222 635668842 /nfs/dbraw/zinc/66/88/42/635668842.db2.gz WGFWQKKYBABLGY-GFCCVEGCSA-N -1 3 299.798 3.113 20 10 CGCDHM C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(Cl)ccc1[O-] ZINC000131507571 636671210 /nfs/dbraw/zinc/67/12/10/636671210.db2.gz BHOARTGVOSBOGO-JTQLQIEISA-N -1 3 299.798 3.208 20 10 CGCDHM C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1c([O-])cccc1Cl ZINC000131519692 636672839 /nfs/dbraw/zinc/67/28/39/636672839.db2.gz BVLDIZJXQLTLJG-JTQLQIEISA-N -1 3 299.798 3.208 20 10 CGCDHM CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CCS1 ZINC000135835429 637190625 /nfs/dbraw/zinc/19/06/25/637190625.db2.gz ADCPILFIDFVIIP-ZDUSSCGKSA-N -1 3 297.395 3.061 20 10 CGCDHM CCc1nc(CN[C@H](C)c2c([O-])cccc2F)cs1 ZINC000886525055 637553034 /nfs/dbraw/zinc/55/30/34/637553034.db2.gz WKVNGESALPJMGZ-SECBINFHSA-N -1 3 280.368 3.401 20 10 CGCDHM C[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1c([O-])cccc1F ZINC000886620092 637612665 /nfs/dbraw/zinc/61/26/65/637612665.db2.gz BPKPMEHZIGBKQT-NHCYSSNCSA-N -1 3 275.327 3.084 20 10 CGCDHM C[C@@H](N[C@H](CCO)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000886801713 637697874 /nfs/dbraw/zinc/69/78/74/637697874.db2.gz RGIPFOMBGDXVOE-RDDDGLTNSA-N -1 3 297.704 3.010 20 10 CGCDHM C[C@@H](Nc1cnn(CCF)c1)c1ccc(Cl)cc1[O-] ZINC000858492256 638743111 /nfs/dbraw/zinc/74/31/11/638743111.db2.gz LVPSWLWJODZEJL-SECBINFHSA-N -1 3 283.734 3.385 20 10 CGCDHM C[C@@H]1[C@H](C(=O)NCc2c([O-])cccc2F)[C@H]1c1ccccc1 ZINC000928708387 638889393 /nfs/dbraw/zinc/88/93/93/638889393.db2.gz KLMHSFAQLQGLTG-JECHBYEQSA-N -1 3 299.345 3.197 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCOCC12CCCC2 ZINC000093840613 640782397 /nfs/dbraw/zinc/78/23/97/640782397.db2.gz VVCFQGFKJLQGNB-UHFFFAOYSA-N -1 3 281.783 3.191 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[C@@H]2C)c1[O-] ZINC000706808764 799967466 /nfs/dbraw/zinc/96/74/66/799967466.db2.gz VGSYVRAFYLFFLY-IUCAKERBSA-N -1 3 267.756 3.088 20 10 CGCDHM [O-]c1c(F)ccc(F)c1CN1CCC(C(F)F)CC1 ZINC001139685897 804253648 /nfs/dbraw/zinc/25/36/48/804253648.db2.gz DLHWBKPICKHZKD-UHFFFAOYSA-N -1 3 277.261 3.148 20 10 CGCDHM [O-]c1cccc(Br)c1CN1CCC[C@@H]1CF ZINC001140102730 804376698 /nfs/dbraw/zinc/37/66/98/804376698.db2.gz XZWPGPLKGCFINC-SECBINFHSA-N -1 3 288.160 3.089 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CC[C@@H](CF)C(F)(F)C1 ZINC001140337836 804417823 /nfs/dbraw/zinc/41/78/23/804417823.db2.gz INACIJNEUQWDMJ-VIFPVBQESA-N -1 3 293.716 3.472 20 10 CGCDHM CC(C)OC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142524881 804732147 /nfs/dbraw/zinc/73/21/47/804732147.db2.gz OKDZDXZLNCMDAS-UHFFFAOYSA-N -1 3 285.334 3.060 20 10 CGCDHM [O-]c1ccc(Cl)c(Nc2cccc(O)c2O)c1F ZINC001214561689 815424132 /nfs/dbraw/zinc/42/41/32/815424132.db2.gz YXYYAEBVTLRVED-UHFFFAOYSA-N -1 3 269.659 3.340 20 10 CGCDHM CCc1cccc(-c2noc(-c3cccc(O)c3[O-])n2)c1 ZINC001215145839 815488858 /nfs/dbraw/zinc/48/88/58/815488858.db2.gz MHMWZYPGPMTEKO-UHFFFAOYSA-N -1 3 282.299 3.377 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCc2ccsc2C1 ZINC001207719582 813640082 /nfs/dbraw/zinc/64/00/82/813640082.db2.gz MTWYGBVKMPRNAN-UHFFFAOYSA-N -1 3 281.327 3.290 20 10 CGCDHM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCc2ccccc21 ZINC001231453266 818102916 /nfs/dbraw/zinc/10/29/16/818102916.db2.gz KBYSGYWCZPXNMG-MRXNPFEDSA-N -1 3 297.354 3.210 20 10 CGCDHM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCc2ccccc21 ZINC001231453266 818102920 /nfs/dbraw/zinc/10/29/20/818102920.db2.gz KBYSGYWCZPXNMG-MRXNPFEDSA-N -1 3 297.354 3.210 20 10 CGCDHM COc1cc([O-])c(CN2CCC[C@](C)(F)C2)cc1Cl ZINC001232266922 818298172 /nfs/dbraw/zinc/29/81/72/818298172.db2.gz SRDAYAVPDACOKN-AWEZNQCLSA-N -1 3 287.762 3.378 20 10 CGCDHM COc1ccc(CN(C)Cc2c([O-])ccc(F)c2F)cc1 ZINC001233332734 818584394 /nfs/dbraw/zinc/58/43/94/818584394.db2.gz WGDOPUJZZJVSLZ-UHFFFAOYSA-N -1 3 293.313 3.311 20 10 CGCDHM CN(Cc1ccno1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455568 818623963 /nfs/dbraw/zinc/62/39/63/818623963.db2.gz PYZNCLBMWAODOQ-UHFFFAOYSA-N -1 3 286.253 3.031 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@]2(C1)CCCCO2 ZINC001237616845 819786961 /nfs/dbraw/zinc/78/69/61/819786961.db2.gz IHACTTQFSLGOII-HNNXBMFYSA-N -1 3 299.773 3.330 20 10 CGCDHM CC(C)O[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237621872 819789229 /nfs/dbraw/zinc/78/92/29/819789229.db2.gz HWTAIZYBYVDOJD-LBPRGKRZSA-N -1 3 287.762 3.184 20 10 CGCDHM CCO[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237815182 819850089 /nfs/dbraw/zinc/85/00/89/819850089.db2.gz WVWKWLPKZCBXPJ-GFCCVEGCSA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1cccc(F)c1CNc1nc2cccc(F)c2o1 ZINC001307214384 932929013 /nfs/dbraw/zinc/92/90/13/932929013.db2.gz CLHBHMIAOJNBFP-UHFFFAOYSA-N -1 3 276.242 3.424 20 10 CGCDHM Cc1cc2c(cc1NCc1cc(F)c(F)cc1[O-])OCO2 ZINC001308682204 933157392 /nfs/dbraw/zinc/15/73/92/933157392.db2.gz NQFJVTJNZXXMQW-UHFFFAOYSA-N -1 3 293.269 3.320 20 10 CGCDHM Cn1cnc2cc(NCc3cc(F)cc(F)c3[O-])ccc21 ZINC001474050906 937837989 /nfs/dbraw/zinc/83/79/89/937837989.db2.gz YSHKMZLLPIRFKG-UHFFFAOYSA-N -1 3 289.285 3.169 20 10 CGCDHM CC[C@H]1CO[C@@H](C)CN1Cc1c([O-])cc(C)cc1Cl ZINC001560726956 938272431 /nfs/dbraw/zinc/27/24/31/938272431.db2.gz LPEKQDFNNBOCLO-RYUDHWBXSA-N -1 3 283.799 3.353 20 10 CGCDHM CC[C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@H](CC)O1 ZINC001560894873 938282460 /nfs/dbraw/zinc/28/24/60/938282460.db2.gz XGVRRKLCDGHTDC-ZIAGYGMSSA-N -1 3 283.799 3.435 20 10 CGCDHM CCC1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CCC1 ZINC001595378873 980915376 /nfs/dbraw/zinc/91/53/76/980915376.db2.gz MQCJVYQGVVNCDS-NSHDSACASA-N -1 3 277.364 3.321 20 10 CGCDHM [O-]c1c(F)cccc1CN1CC(COc2ccccc2)C1 ZINC000297463385 373272332 /nfs/dbraw/zinc/27/23/32/373272332.db2.gz RTZTXBJLVSDIEY-UHFFFAOYSA-N -1 3 287.334 3.042 20 10 CGCDHM Cc1ccc([C@H]2COCCN2Cc2cc(F)ccc2[O-])o1 ZINC000180166512 373971651 /nfs/dbraw/zinc/97/16/51/373971651.db2.gz NCSDXCNEBCYQFV-CQSZACIVSA-N -1 3 291.322 3.006 20 10 CGCDHM CCC[C@]1(C)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000185766787 374732133 /nfs/dbraw/zinc/73/21/33/374732133.db2.gz REGHNXFTNFNHDF-MRXNPFEDSA-N -1 3 277.364 3.140 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H]2OCCC[C@@H]2C1 ZINC000191379244 375621118 /nfs/dbraw/zinc/62/11/18/375621118.db2.gz XFEYAXQVSREDKR-QMTHXVAHSA-N -1 3 299.773 3.186 20 10 CGCDHM COc1ccc(CN(C)Cc2cccc(F)c2[O-])cc1 ZINC000272229057 378589950 /nfs/dbraw/zinc/58/99/50/378589950.db2.gz DKXMGMYJPKSZGE-UHFFFAOYSA-N -1 3 275.323 3.172 20 10 CGCDHM C[C@H]1CCC[C@@H](N(C)C(=O)c2cc([O-])cs2)C1 ZINC000732268670 572456178 /nfs/dbraw/zinc/45/61/78/572456178.db2.gz JZVMJGOEQPULBU-VHSXEESVSA-N -1 3 253.367 3.104 20 10 CGCDHM [O-]c1c(F)cccc1CN[C@@H]1CCOc2c(F)cccc21 ZINC000370475654 267320999 /nfs/dbraw/zinc/32/09/99/267320999.db2.gz DSMQGOUAYLYTBU-CQSZACIVSA-N -1 3 291.297 3.284 20 10 CGCDHM CC[C@H](NCc1ccnn1C)c1cccc(Cl)c1[O-] ZINC000287305943 288050898 /nfs/dbraw/zinc/05/08/98/288050898.db2.gz CRGFZFDKSURLCC-ZDUSSCGKSA-N -1 3 279.771 3.020 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CCC(n2ccnc2)CC1 ZINC000179902967 327803767 /nfs/dbraw/zinc/80/37/67/327803767.db2.gz WEUDOJYIEQJWNL-UHFFFAOYSA-N -1 3 291.782 3.079 20 10 CGCDHM CCc1nc(C)c(CN[C@H](C)c2cc(F)ccc2[O-])o1 ZINC000291855747 328124823 /nfs/dbraw/zinc/12/48/23/328124823.db2.gz HDYQXHKPBLKYCU-SECBINFHSA-N -1 3 278.327 3.241 20 10 CGCDHM Cc1ccncc1/C=C/C(=O)N1CCCc2cccc([O-])c21 ZINC000492424901 332396945 /nfs/dbraw/zinc/39/69/45/332396945.db2.gz KTBNPAPBMHGNDM-BQYQJAHWSA-N -1 3 294.354 3.088 20 10 CGCDHM CCCC[C@@H](C)N(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000292042714 521000108 /nfs/dbraw/zinc/00/01/08/521000108.db2.gz ROOGANSRBXAMSD-LLVKDONJSA-N -1 3 265.353 3.057 20 10 CGCDHM CCCN(Cc1ccccc1[O-])[C@H](C)c1nnc(C)o1 ZINC000076074290 521690864 /nfs/dbraw/zinc/69/08/64/521690864.db2.gz JWEDEGMSCQYJSV-LLVKDONJSA-N -1 3 275.352 3.057 20 10 CGCDHM C[C@H](N[C@@H](CO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000276854526 525544372 /nfs/dbraw/zinc/54/43/72/525544372.db2.gz BKUHVYAMNZALLA-HZMBPMFUSA-N -1 3 293.313 3.055 20 10 CGCDHM C[C@H](C1CCCCC1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000282369242 526216707 /nfs/dbraw/zinc/21/67/07/526216707.db2.gz BYYGGFKXAMCOKI-LLVKDONJSA-N -1 3 277.364 3.139 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCCc2occc2C1 ZINC000290269628 526348289 /nfs/dbraw/zinc/34/82/89/526348289.db2.gz XTBBQHRBZWHIPE-UHFFFAOYSA-N -1 3 261.296 3.073 20 10 CGCDHM Cc1ccc([C@@H](C)CNC(=O)c2cc([O-])cs2)cc1 ZINC000738545319 572378468 /nfs/dbraw/zinc/37/84/68/572378468.db2.gz BZDAFBALIJICGM-NSHDSACASA-N -1 3 275.373 3.296 20 10 CGCDHM CCC(CC)CN(CC)C(=O)c1cc([O-])cs1 ZINC000731869415 572434287 /nfs/dbraw/zinc/43/42/87/572434287.db2.gz HBVHYVDOJZDYPR-UHFFFAOYSA-N -1 3 255.383 3.352 20 10 CGCDHM Cc1ccc(CNC(=O)c2cc([O-])cs2)c(C)c1 ZINC000731868833 572434431 /nfs/dbraw/zinc/43/44/31/572434431.db2.gz YWDMCFKJBVFAJS-UHFFFAOYSA-N -1 3 261.346 3.001 20 10 CGCDHM O=C(OCCOc1ccc(Cl)cc1)c1cc([O-])cs1 ZINC000731909143 572435810 /nfs/dbraw/zinc/43/58/10/572435810.db2.gz BANAYAFTVXNEKR-UHFFFAOYSA-N -1 3 298.747 3.343 20 10 CGCDHM O=C(OCc1nc2ccccc2s1)c1cc([O-])cs1 ZINC000731910233 572435827 /nfs/dbraw/zinc/43/58/27/572435827.db2.gz PKPGULQELRLXLK-UHFFFAOYSA-N -1 3 291.353 3.420 20 10 CGCDHM Cc1cc(CN(Cc2ccco2)Cc2ccccc2[O-])on1 ZINC000732202517 572452065 /nfs/dbraw/zinc/45/20/65/572452065.db2.gz UOYKDEJUYFSNFQ-UHFFFAOYSA-N -1 3 298.342 3.484 20 10 CGCDHM O=C(c1cc([O-])cs1)N(Cc1cccc(F)c1)C1CC1 ZINC000732267985 572455835 /nfs/dbraw/zinc/45/58/35/572455835.db2.gz ASUDIJMRKQLURK-UHFFFAOYSA-N -1 3 291.347 3.398 20 10 CGCDHM Cc1ccccc1C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000732274820 572457125 /nfs/dbraw/zinc/45/71/25/572457125.db2.gz UHNXKPYVOSNJDW-NSHDSACASA-N -1 3 275.373 3.123 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCCc2ccccc2C1 ZINC000732290223 572458832 /nfs/dbraw/zinc/45/88/32/572458832.db2.gz SWDLNKBJGQSADO-UHFFFAOYSA-N -1 3 273.357 3.042 20 10 CGCDHM O=C(N[C@@H]1CCc2ccc(F)cc21)c1cc([O-])cs1 ZINC000732289380 572458970 /nfs/dbraw/zinc/45/89/70/572458970.db2.gz ONKVGKRNWKOFJG-GFCCVEGCSA-N -1 3 277.320 3.010 20 10 CGCDHM Cc1ccc(NC(=O)c2cc([O-])cs2)c(CN(C)C)c1 ZINC000733806390 572604719 /nfs/dbraw/zinc/60/47/19/572604719.db2.gz AWFKACLGQYIHQY-UHFFFAOYSA-N -1 3 290.388 3.076 20 10 CGCDHM COc1cccc(CCCOC(=O)c2cc([O-])cs2)c1 ZINC000745001854 572787423 /nfs/dbraw/zinc/78/74/23/572787423.db2.gz CHVAAISUTAFUQG-UHFFFAOYSA-N -1 3 292.356 3.252 20 10 CGCDHM Cc1ccc(C)c(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000179379001 618779948 /nfs/dbraw/zinc/77/99/48/618779948.db2.gz VUVYUHXVJTZRKP-UHFFFAOYSA-N -1 3 271.316 3.275 20 10 CGCDHM Cc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1C ZINC000179381164 618780611 /nfs/dbraw/zinc/78/06/11/618780611.db2.gz TUYBQYNITORSHH-UHFFFAOYSA-N -1 3 271.316 3.275 20 10 CGCDHM Cc1ccc(C(=O)Nc2cccc(F)c2C)c([O-])c1O ZINC000179532201 618794489 /nfs/dbraw/zinc/79/44/89/618794489.db2.gz QHPQBSNIJGJDJA-UHFFFAOYSA-N -1 3 275.279 3.106 20 10 CGCDHM CCN(Cc1cnn(C)c1)Cc1c([O-])cc(C)cc1Cl ZINC000840911460 619120390 /nfs/dbraw/zinc/12/03/90/619120390.db2.gz BOZWJUNWNKJGSQ-UHFFFAOYSA-N -1 3 293.798 3.110 20 10 CGCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C2CC2)O1 ZINC000793220131 619706725 /nfs/dbraw/zinc/70/67/25/619706725.db2.gz RATWOMGDYVSWBN-ZUZCIYMTSA-N -1 3 281.783 3.045 20 10 CGCDHM CC(C)c1occc1C(=O)NCc1c([O-])cccc1F ZINC000928708518 620207912 /nfs/dbraw/zinc/20/79/12/620207912.db2.gz NJZIJZVOBORGIS-UHFFFAOYSA-N -1 3 277.295 3.178 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCC2(CC2)C1 ZINC000928708191 620208024 /nfs/dbraw/zinc/20/80/24/620208024.db2.gz AYLOYUCKLRSDDW-LLVKDONJSA-N -1 3 277.339 3.118 20 10 CGCDHM C[C@H](N[C@H](c1ncccn1)C1CC1)c1ccc(F)cc1[O-] ZINC000903325938 621700250 /nfs/dbraw/zinc/70/02/50/621700250.db2.gz JIBDLIXCVOAVPN-BONVTDFDSA-N -1 3 287.338 3.123 20 10 CGCDHM C[C@H](Nc1ccc2c(c1)OCO2)c1ccc(F)cc1[O-] ZINC000062744956 623265114 /nfs/dbraw/zinc/26/51/14/623265114.db2.gz QMKUSSMQMVBYIY-VIFPVBQESA-N -1 3 275.279 3.433 20 10 CGCDHM Cc1nc(CNCc2c([O-])cccc2Cl)cs1 ZINC000083552043 625646613 /nfs/dbraw/zinc/64/66/13/625646613.db2.gz LZCUWWSTMMRPOL-UHFFFAOYSA-N -1 3 268.769 3.100 20 10 CGCDHM Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1F ZINC000751530324 626394572 /nfs/dbraw/zinc/39/45/72/626394572.db2.gz LCNMYDOSCRPZPI-UHFFFAOYSA-N -1 3 275.279 3.106 20 10 CGCDHM Cc1ccn2cc(CN[C@H](C)c3ccc(F)cc3[O-])nc2c1 ZINC000756534690 626713348 /nfs/dbraw/zinc/71/33/48/626713348.db2.gz MRXKQZCYFOHXJY-GFCCVEGCSA-N -1 3 299.349 3.338 20 10 CGCDHM C[C@@H](N[C@H](CO)c1ccsc1)c1cc(F)cc(F)c1[O-] ZINC000769990661 627595529 /nfs/dbraw/zinc/59/55/29/627595529.db2.gz VVJYNLWLVMLXEA-AMIZOPFISA-N -1 3 299.342 3.116 20 10 CGCDHM Cc1cc(C)cc(C[C@H](C)NC(=O)c2cccc(O)c2[O-])c1 ZINC000776664854 628224536 /nfs/dbraw/zinc/22/45/36/628224536.db2.gz QJEPLFZCTMTVEG-ZDUSSCGKSA-N -1 3 299.370 3.076 20 10 CGCDHM CN(CCOC(C)(C)C)Cc1c([O-])ccc(Cl)c1F ZINC000792170667 629343425 /nfs/dbraw/zinc/34/34/25/629343425.db2.gz UWGVTLSYFKKCIW-UHFFFAOYSA-N -1 3 289.778 3.432 20 10 CGCDHM CON(Cc1cc(F)cc(C(C)=O)c1[O-])CC(C)(C)C ZINC000796468191 629785535 /nfs/dbraw/zinc/78/55/35/629785535.db2.gz HBQQRUZDXWBTEE-UHFFFAOYSA-N -1 3 283.343 3.143 20 10 CGCDHM Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1[O-] ZINC000818631545 632344049 /nfs/dbraw/zinc/34/40/49/632344049.db2.gz IXOGQOBYRJOQMK-NOZJJQNGSA-N -1 3 297.782 3.039 20 10 CGCDHM Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1[O-] ZINC000818631545 632344055 /nfs/dbraw/zinc/34/40/55/632344055.db2.gz IXOGQOBYRJOQMK-NOZJJQNGSA-N -1 3 297.782 3.039 20 10 CGCDHM C[C@@H]1C[C@@H](NCc2cc(Cl)c(F)cc2[O-])c2nccn21 ZINC000825017701 633318949 /nfs/dbraw/zinc/31/89/49/633318949.db2.gz XOQVEXOETHSHIR-PRHODGIISA-N -1 3 295.745 3.177 20 10 CGCDHM Cc1cc([O-])c(CN[C@H](C)C(=O)OC(C)(C)C)c(Cl)c1 ZINC000826768785 633431787 /nfs/dbraw/zinc/43/17/87/633431787.db2.gz DKIHQKPYBULGTB-SNVBAGLBSA-N -1 3 299.798 3.174 20 10 CGCDHM Cc1nccnc1[C@@H](C)N[C@H](C)c1ccc(F)cc1[O-] ZINC000872133838 634056250 /nfs/dbraw/zinc/05/62/50/634056250.db2.gz PCKIEXIEYZHDHO-MWLCHTKSSA-N -1 3 275.327 3.042 20 10 CGCDHM O=C(Nc1cccc(Cl)c1)c1cccc(O)c1[O-] ZINC000126221674 634922448 /nfs/dbraw/zinc/92/24/48/634922448.db2.gz WMGZFOGDYJOJOO-UHFFFAOYSA-N -1 3 263.680 3.004 20 10 CGCDHM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@H](C)C1(F)F ZINC000877650832 635131280 /nfs/dbraw/zinc/13/12/80/635131280.db2.gz UVWVTSQJOILVIV-DTORHVGOSA-N -1 3 291.288 3.394 20 10 CGCDHM CCC[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000128174149 635907499 /nfs/dbraw/zinc/90/74/99/635907499.db2.gz DIPCXRIPDFIYMU-NSHDSACASA-N -1 3 269.772 3.047 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1CC1CCCC1 ZINC000848356734 636562982 /nfs/dbraw/zinc/56/29/82/636562982.db2.gz ZEALQXQZJPOETO-ZDUSSCGKSA-N -1 3 289.375 3.283 20 10 CGCDHM COC[C@H](N[C@H](C)c1c([O-])cccc1F)c1ccc(C)o1 ZINC000886534826 637559715 /nfs/dbraw/zinc/55/97/15/637559715.db2.gz PEDDAPTUOJLQKG-YPMHNXCESA-N -1 3 293.338 3.471 20 10 CGCDHM C[C@H](N[C@H]1COCc2ccccc21)c1c([O-])cccc1F ZINC000886626708 637616964 /nfs/dbraw/zinc/61/69/64/637616964.db2.gz JCTRYJMQKYYCEG-NHYWBVRUSA-N -1 3 287.334 3.453 20 10 CGCDHM Cc1cccc([O-])c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000858200222 638657389 /nfs/dbraw/zinc/65/73/89/638657389.db2.gz QVFWQRQWHAMXBM-UHFFFAOYSA-N -1 3 298.386 3.039 20 10 CGCDHM CC[C@H](CC(F)(F)F)C(=O)NCc1c([O-])cccc1F ZINC000928706272 638889439 /nfs/dbraw/zinc/88/94/39/638889439.db2.gz QFYYAMFKBWGFJE-MRVPVSSYSA-N -1 3 293.260 3.126 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1sccc1C1CC1 ZINC000928710338 638889727 /nfs/dbraw/zinc/88/97/27/638889727.db2.gz BTWKUCNQQQNVMJ-UHFFFAOYSA-N -1 3 291.347 3.400 20 10 CGCDHM CCSc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000193069452 640430052 /nfs/dbraw/zinc/43/00/52/640430052.db2.gz ABVYZEGYDGRBES-UHFFFAOYSA-N -1 3 289.356 3.462 20 10 CGCDHM CC[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(O)c1[O-] ZINC000193165595 640437476 /nfs/dbraw/zinc/43/74/76/640437476.db2.gz BDVGEANFMUKTKV-CQSZACIVSA-N -1 3 297.354 3.075 20 10 CGCDHM CC(C)O[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000703504469 799924590 /nfs/dbraw/zinc/92/45/90/799924590.db2.gz YUTPQRPKVNOPAX-LBPRGKRZSA-N -1 3 285.334 3.060 20 10 CGCDHM Cc1nc([C@H](C)NCc2ccc3ccccc3c2[O-])no1 ZINC001117760278 802489451 /nfs/dbraw/zinc/48/94/51/802489451.db2.gz TWXOAUKRNBSAFB-JTQLQIEISA-N -1 3 283.331 3.088 20 10 CGCDHM C[C@H]1C(=O)CCN(Cc2c([O-])cccc2F)C12CCCC2 ZINC001137841396 803779554 /nfs/dbraw/zinc/77/95/54/803779554.db2.gz CYZLBMILNCSOJE-LBPRGKRZSA-N -1 3 291.366 3.255 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCCCC(F)(F)C1 ZINC001140057627 804366110 /nfs/dbraw/zinc/36/61/10/804366110.db2.gz IKPOGMPDPTXFEH-UHFFFAOYSA-N -1 3 259.271 3.153 20 10 CGCDHM Cc1ccc2cccnc2c1NC(=O)c1cccc(O)c1[O-] ZINC001148219123 805168260 /nfs/dbraw/zinc/16/82/60/805168260.db2.gz UCYUSRIQDLJZIA-UHFFFAOYSA-N -1 3 294.310 3.207 20 10 CGCDHM Cc1cc(C)cc(CC(=O)NCc2c([O-])cccc2F)c1 ZINC001178412872 809865157 /nfs/dbraw/zinc/86/51/57/809865157.db2.gz ISWOFIZCBPSKEA-UHFFFAOYSA-N -1 3 287.334 3.007 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CNc1cccc2nccnc21 ZINC001183442190 810148832 /nfs/dbraw/zinc/14/88/32/810148832.db2.gz CSBVVBWGWKCGOH-UHFFFAOYSA-N -1 3 287.269 3.226 20 10 CGCDHM Cc1c2cc[nH]c2ncc1NCc1cccc(F)c1[O-] ZINC001207855248 813661118 /nfs/dbraw/zinc/66/11/18/813661118.db2.gz TXEZKQWNNOGAGJ-UHFFFAOYSA-N -1 3 271.295 3.280 20 10 CGCDHM [O-]c1ccc(-c2nc(-c3ccccc3)no2)c(Cl)c1O ZINC001216951886 815903234 /nfs/dbraw/zinc/90/32/34/815903234.db2.gz NWHDPAUCYVIANU-UHFFFAOYSA-N -1 3 288.690 3.468 20 10 CGCDHM CCCCC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231450490 818100901 /nfs/dbraw/zinc/10/09/01/818100901.db2.gz RXIYWIHTJOPPLF-UHFFFAOYSA-N -1 3 291.391 3.493 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001231565478 818124435 /nfs/dbraw/zinc/12/44/35/818124435.db2.gz XXYJVJCEXAQRFO-IUODEOHRSA-N -1 3 289.375 3.245 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001231565478 818124439 /nfs/dbraw/zinc/12/44/39/818124439.db2.gz XXYJVJCEXAQRFO-IUODEOHRSA-N -1 3 289.375 3.245 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCCC3(CCCC3)C2)c1 ZINC001231561243 818124597 /nfs/dbraw/zinc/12/45/97/818124597.db2.gz QFAPBNKUSVXQGH-UHFFFAOYSA-N -1 3 289.375 3.247 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC001231561243 818124600 /nfs/dbraw/zinc/12/46/00/818124600.db2.gz QFAPBNKUSVXQGH-UHFFFAOYSA-N -1 3 289.375 3.247 20 10 CGCDHM [O-]c1c(CN2Cc3ccncc3C2)ccc2ccccc21 ZINC001231882823 818202793 /nfs/dbraw/zinc/20/27/93/818202793.db2.gz WGHNNIHFBVZWEV-UHFFFAOYSA-N -1 3 276.339 3.456 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CCc2cc(O)ccc2C1 ZINC001231910920 818209177 /nfs/dbraw/zinc/20/91/77/818209177.db2.gz VUSPZDJQUBTYTI-UHFFFAOYSA-N -1 3 289.762 3.310 20 10 CGCDHM COc1cc([O-])c(CN2Cc3ncsc3C2)cc1Cl ZINC001232267419 818296996 /nfs/dbraw/zinc/29/69/96/818296996.db2.gz BOAYEMAJAHEEAS-UHFFFAOYSA-N -1 3 296.779 3.027 20 10 CGCDHM [O-]c1cc(O)c(CN2Cc3ccc(F)cc3C2)cc1Cl ZINC001232268360 818301008 /nfs/dbraw/zinc/30/10/08/818301008.db2.gz OSMFYBIBFRGBHT-UHFFFAOYSA-N -1 3 293.725 3.406 20 10 CGCDHM CN(Cc1ccno1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236804828 819602233 /nfs/dbraw/zinc/60/22/33/819602233.db2.gz UGRXBDWHJJFOSZ-UHFFFAOYSA-N -1 3 287.146 3.319 20 10 CGCDHM CCN(CCOC)Cc1c([O-])ccc(Cl)c1Cl ZINC001237077095 819659986 /nfs/dbraw/zinc/65/99/86/819659986.db2.gz CNZQJEJAOYCVQB-UHFFFAOYSA-N -1 3 278.179 3.167 20 10 CGCDHM C[C@]1(O)CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237081544 819661723 /nfs/dbraw/zinc/66/17/23/819661723.db2.gz LURILQFZUNNXON-ZDUSSCGKSA-N -1 3 290.190 3.046 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1C[C@H]2[C@H](CC2(F)F)C1 ZINC001237799241 819845620 /nfs/dbraw/zinc/84/56/20/819845620.db2.gz GAFNPVPLZJWMIJ-SCZZXKLOSA-N -1 3 291.700 3.272 20 10 CGCDHM CC(C)O[C@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237950627 819891275 /nfs/dbraw/zinc/89/12/75/819891275.db2.gz YQNUQTLXRYLHHF-NSHDSACASA-N -1 3 287.762 3.184 20 10 CGCDHM CCc1sc(C(=O)NCc2c([O-])cccc2F)cc1C ZINC001456090339 937425495 /nfs/dbraw/zinc/42/54/95/937425495.db2.gz JZQMZACWQLJJDE-UHFFFAOYSA-N -1 3 293.363 3.394 20 10 CGCDHM Cc1csc(C(=O)NCc2c([O-])cccc2F)c1Cl ZINC001303875345 932836054 /nfs/dbraw/zinc/83/60/54/932836054.db2.gz DYWGPOXYMQSZNT-UHFFFAOYSA-N -1 3 299.754 3.485 20 10 CGCDHM COc1ccc(CNCc2cc(F)cc(F)c2[O-])c(F)c1 ZINC001308329109 933096290 /nfs/dbraw/zinc/09/62/90/933096290.db2.gz RJQHYKUMOXPWCG-UHFFFAOYSA-N -1 3 297.276 3.108 20 10 CGCDHM CCC1(CC)CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001308807626 933180847 /nfs/dbraw/zinc/18/08/47/933180847.db2.gz SCWRTLVBRBTTPO-UHFFFAOYSA-N -1 3 255.308 3.292 20 10 CGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1Cl ZINC001469615133 937740777 /nfs/dbraw/zinc/74/07/77/937740777.db2.gz LLBMSVGWQHTTGT-UHFFFAOYSA-N -1 3 277.707 3.312 20 10 CGCDHM CC1(C)C2CCC1(C(=O)NCc1c([O-])cccc1F)CC2 ZINC001522162219 938035812 /nfs/dbraw/zinc/03/58/12/938035812.db2.gz SVXCMVZCGROVPL-UHFFFAOYSA-N -1 3 291.366 3.364 20 10 CGCDHM CC[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@@H]1CC1(C)C ZINC001564951656 960710268 /nfs/dbraw/zinc/71/02/68/960710268.db2.gz BAUGJXSOIUEXBN-WCQYABFASA-N -1 3 294.370 3.155 20 10 CGCDHM C[C@H](CC(C)(C)CC(=O)[O-])[NH2+][C@H](C)c1ccccc1[O-] ZINC001592445340 978111733 /nfs/dbraw/zinc/11/17/33/978111733.db2.gz KHXOLQMPJWRGJZ-VXGBXAGGSA-N -1 3 279.380 3.322 20 10 CGCDHM C[C@@H]([NH2+]CC1CC(C)(C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593251384 994494408 /nfs/dbraw/zinc/49/44/08/994494408.db2.gz DNMVMUMVSAZCKN-SNVBAGLBSA-N -1 3 277.364 3.177 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000092729077 370100629 /nfs/dbraw/zinc/10/06/29/370100629.db2.gz PANRZIDNNYOMFT-CYBMUJFWSA-N -1 3 291.782 3.496 20 10 CGCDHM CCCOc1ccc(CN[C@H](C)C(F)(F)F)c([O-])c1 ZINC000288339075 371735149 /nfs/dbraw/zinc/73/51/49/371735149.db2.gz BEMXHJYEROHZHW-SECBINFHSA-N -1 3 277.286 3.221 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCOCc2ccccc21 ZINC000291580493 372170906 /nfs/dbraw/zinc/17/09/06/372170906.db2.gz OVSAUZGMNNVEPX-UHFFFAOYSA-N -1 3 273.307 3.068 20 10 CGCDHM COC[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ccco1 ZINC000293547787 372407968 /nfs/dbraw/zinc/40/79/68/372407968.db2.gz GSXNUJIZMMLUTJ-GFCCVEGCSA-N -1 3 299.729 3.255 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H](O)C12CCCC2 ZINC000293973925 372542976 /nfs/dbraw/zinc/54/29/76/372542976.db2.gz QWUDVIHJTXLRLA-CQSZACIVSA-N -1 3 299.773 3.064 20 10 CGCDHM C[C@@H](N[C@@H]1CCc2cccc([O-])c21)c1c(F)cncc1F ZINC000297348414 373268660 /nfs/dbraw/zinc/26/86/60/373268660.db2.gz PAISRGGRKTTYBY-NOZJJQNGSA-N -1 3 290.313 3.404 20 10 CGCDHM CN(Cc1cc(Cl)cn1C)Cc1cc(F)ccc1[O-] ZINC000180266953 373985334 /nfs/dbraw/zinc/98/53/34/373985334.db2.gz XFTTVNKVKPCZGD-UHFFFAOYSA-N -1 3 282.746 3.155 20 10 CGCDHM C[C@@H](N[C@H](CO)c1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000187723241 375080935 /nfs/dbraw/zinc/08/09/35/375080935.db2.gz BKUHVYAMNZALLA-QMTHXVAHSA-N -1 3 293.313 3.055 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CC(Cc2ccco2)C1 ZINC000529650304 375931696 /nfs/dbraw/zinc/93/16/96/375931696.db2.gz YLNMMMKVPGGCNL-UHFFFAOYSA-N -1 3 277.751 3.313 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ccccn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273438556 378744987 /nfs/dbraw/zinc/74/49/87/378744987.db2.gz XVXAVERVYPMJRW-MNOVXSKESA-N -1 3 287.319 3.107 20 10 CGCDHM Cc1ccc(C(=O)N2CCC[C@@H]2C(C)(C)C)c([O-])c1O ZINC000272765302 378701038 /nfs/dbraw/zinc/70/10/38/378701038.db2.gz LZBAEUIYTJVPFW-GFCCVEGCSA-N -1 3 277.364 3.057 20 10 CGCDHM CCn1nc(CN(C)Cc2ccccc2[O-])c2ccccc21 ZINC000274553028 378851080 /nfs/dbraw/zinc/85/10/80/378851080.db2.gz JBQSTEGIGONXBN-UHFFFAOYSA-N -1 3 295.386 3.394 20 10 CGCDHM O=C(NCCCc1ccc(Cl)cc1)c1cc([O-])cs1 ZINC000732281574 572457783 /nfs/dbraw/zinc/45/77/83/572457783.db2.gz QKBYIELTSXEGCF-UHFFFAOYSA-N -1 3 295.791 3.470 20 10 CGCDHM COc1cc(Cl)cc(CN(CC(F)F)C2CC2)c1[O-] ZINC000184691209 262025684 /nfs/dbraw/zinc/02/56/84/262025684.db2.gz NDWZSZOJMRGQGS-UHFFFAOYSA-N -1 3 291.725 3.284 20 10 CGCDHM CC(C)(C)c1csc(CNCc2ccccc2[O-])n1 ZINC000105498408 392291380 /nfs/dbraw/zinc/29/13/80/392291380.db2.gz WKMNUWLQUWQOEL-UHFFFAOYSA-N -1 3 276.405 3.436 20 10 CGCDHM [O-]c1ccccc1CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000179558762 392702241 /nfs/dbraw/zinc/70/22/41/392702241.db2.gz SASJLZZYWJAZQG-KRWDZBQOSA-N -1 3 287.334 3.105 20 10 CGCDHM [O-]c1ccccc1CN1CCO[C@H](c2cccc(F)c2)C1 ZINC000179568708 392703703 /nfs/dbraw/zinc/70/37/03/392703703.db2.gz LCRQRRHJVKZULJ-KRWDZBQOSA-N -1 3 287.334 3.105 20 10 CGCDHM COc1ncccc1CN[C@H](C)c1cc(Cl)ccc1[O-] ZINC000184985235 262035483 /nfs/dbraw/zinc/03/54/83/262035483.db2.gz BIKXQEFRVCSKDC-SNVBAGLBSA-N -1 3 292.766 3.300 20 10 CGCDHM CN(C)c1ccc(CNCc2cc([O-])cc(F)c2)cc1F ZINC000185499531 262057231 /nfs/dbraw/zinc/05/72/31/262057231.db2.gz VJHUSFREWNJWGA-UHFFFAOYSA-N -1 3 292.329 3.026 20 10 CGCDHM Cc1ccc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c([O-])c1O ZINC000376868098 268026531 /nfs/dbraw/zinc/02/65/31/268026531.db2.gz DHFWYXUSQPKYPW-APPDUMDISA-N -1 3 289.375 3.059 20 10 CGCDHM Cc1ccc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c([O-])c1O ZINC000376868100 268026594 /nfs/dbraw/zinc/02/65/94/268026594.db2.gz DHFWYXUSQPKYPW-GTNSWQLSSA-N -1 3 289.375 3.059 20 10 CGCDHM C[C@H](N[C@H]1CCc2cccc([O-])c21)c1ncccc1F ZINC000528038208 330303272 /nfs/dbraw/zinc/30/32/72/330303272.db2.gz RGXLXYWYGQLSKS-GWCFXTLKSA-N -1 3 272.323 3.264 20 10 CGCDHM C[C@@H]1CCN(C(=O)/C=C/c2cccnc2)c2c([O-])cccc21 ZINC000186325979 333158729 /nfs/dbraw/zinc/15/87/29/333158729.db2.gz AQBDLKSJEYOYCV-SBDDDAINSA-N -1 3 294.354 3.341 20 10 CGCDHM Cc1nnc([C@H](C)N[C@H](C)c2ccc(C)cc2[O-])s1 ZINC000274123250 334776109 /nfs/dbraw/zinc/77/61/09/334776109.db2.gz AUEXTJBDHWPSKA-ZJUUUORDSA-N -1 3 277.393 3.272 20 10 CGCDHM CCc1nc(C)c(CN[C@@H](C)c2ccc(F)c(F)c2[O-])o1 ZINC000291857816 522204559 /nfs/dbraw/zinc/20/45/59/522204559.db2.gz HIDBWVXGOGUZIU-QMMMGPOBSA-N -1 3 296.317 3.380 20 10 CGCDHM Cc1csc(CN[C@@H](C)c2cc(F)ccc2[O-])n1 ZINC000094617787 526359021 /nfs/dbraw/zinc/35/90/21/526359021.db2.gz PGOJVRFWJPFQBR-VIFPVBQESA-N -1 3 266.341 3.147 20 10 CGCDHM [O-]c1ccc2ccncc2c1CN1Cc2ccccc2C1 ZINC000729984277 571939598 /nfs/dbraw/zinc/93/95/98/571939598.db2.gz NECNYUXYKGSDTI-UHFFFAOYSA-N -1 3 276.339 3.456 20 10 CGCDHM O=C(Nc1cccc(N2CCCC2)c1)c1cc([O-])cs1 ZINC000731870702 572430508 /nfs/dbraw/zinc/43/05/08/572430508.db2.gz NBLZDDQTWHCKAE-UHFFFAOYSA-N -1 3 288.372 3.306 20 10 CGCDHM O=C(NCCCSc1ccccc1)c1cc([O-])cs1 ZINC000731868039 572433135 /nfs/dbraw/zinc/43/31/35/572433135.db2.gz JLCHJGNXGXOWQG-UHFFFAOYSA-N -1 3 293.413 3.366 20 10 CGCDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1ccc(F)c(F)c1 ZINC000732265219 572454866 /nfs/dbraw/zinc/45/48/66/572454866.db2.gz PPJTVFRTZNZPCQ-SSDOTTSWSA-N -1 3 283.299 3.223 20 10 CGCDHM O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1cc([O-])cs1 ZINC000743655579 572677120 /nfs/dbraw/zinc/67/71/20/572677120.db2.gz UNFHAPMOFXPMGD-NWDGAFQWSA-N -1 3 265.378 3.152 20 10 CGCDHM O=C(c1cc([O-])cs1)N1C2CCCC1CCC2 ZINC000743712618 572680345 /nfs/dbraw/zinc/68/03/45/572680345.db2.gz WNSFEGDFHDYMDP-UHFFFAOYSA-N -1 3 251.351 3.001 20 10 CGCDHM O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cc([O-])cs1 ZINC000743712523 572680461 /nfs/dbraw/zinc/68/04/61/572680461.db2.gz ROVKWOZMFIJRAQ-GARJFASQSA-N -1 3 265.378 3.152 20 10 CGCDHM O=C(NC1(c2ccccc2F)CC1)c1cc([O-])cs1 ZINC000736688970 572805423 /nfs/dbraw/zinc/80/54/23/572805423.db2.gz OAJYODFSAKNOCU-UHFFFAOYSA-N -1 3 277.320 3.012 20 10 CGCDHM CCS[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000750251534 573104841 /nfs/dbraw/zinc/10/48/41/573104841.db2.gz SDWSDIBPGRFJDM-GHMZBOCLSA-N -1 3 285.434 3.248 20 10 CGCDHM Cc1cc([C@@H]2CCCN2Cc2cc(F)cc(F)c2[O-])on1 ZINC000893994338 619345432 /nfs/dbraw/zinc/34/54/32/619345432.db2.gz DEGVGDHOWXFXLK-ZDUSSCGKSA-N -1 3 294.301 3.304 20 10 CGCDHM Cc1ccncc1CN(C)Cc1cc(F)cc(F)c1[O-] ZINC000894621804 619590609 /nfs/dbraw/zinc/59/06/09/619590609.db2.gz KELVSVYMOLSPRB-UHFFFAOYSA-N -1 3 278.302 3.006 20 10 CGCDHM [O-]c1cccc(F)c1CNCc1cnc(C2CC2)s1 ZINC000896641019 620042484 /nfs/dbraw/zinc/04/24/84/620042484.db2.gz NVUZYQVGRRUEPL-UHFFFAOYSA-N -1 3 278.352 3.155 20 10 CGCDHM CC1=C(C)C[C@H](C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928705618 620207429 /nfs/dbraw/zinc/20/74/29/620207429.db2.gz KHXSZZYGZDQEKV-GFCCVEGCSA-N -1 3 277.339 3.284 20 10 CGCDHM C[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1cncs1 ZINC000897932167 620448705 /nfs/dbraw/zinc/44/87/05/620448705.db2.gz ITRJSRBQEJYWIE-SSDOTTSWSA-N -1 3 286.759 3.492 20 10 CGCDHM O=C1N[C@@H](c2cc(Cl)ccc2[O-])Nc2cc(F)ccc21 ZINC000917501431 624274593 /nfs/dbraw/zinc/27/45/93/624274593.db2.gz GLHKNFSZJKDXJL-ZDUSSCGKSA-N -1 3 292.697 3.039 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)S[C@H](C)C2)c1[O-] ZINC000070384277 625002873 /nfs/dbraw/zinc/00/28/73/625002873.db2.gz GTUWJBWVJLJQAT-NXEZZACHSA-N -1 3 297.395 3.060 20 10 CGCDHM Cc1ccc(CNCc2c([O-])ccc(Cl)c2F)nc1C ZINC000839165949 626324171 /nfs/dbraw/zinc/32/41/71/626324171.db2.gz USDQNZKBIVOJFP-UHFFFAOYSA-N -1 3 294.757 3.486 20 10 CGCDHM CCc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000751529960 626394568 /nfs/dbraw/zinc/39/45/68/626394568.db2.gz JCMSFUSIZSWIHB-UHFFFAOYSA-N -1 3 271.316 3.221 20 10 CGCDHM CC[C@H](C)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000755943504 626663114 /nfs/dbraw/zinc/66/31/14/626663114.db2.gz JHMZOTNYKKFRFJ-NSHDSACASA-N -1 3 299.798 3.067 20 10 CGCDHM CC[C@@H](N[C@H](C)c1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000756660318 626725330 /nfs/dbraw/zinc/72/53/30/626725330.db2.gz VONIQYIMNYCONM-ZWNOBZJWSA-N -1 3 297.370 3.302 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CCC[C@@H](OC(F)F)C1 ZINC000781531479 628569038 /nfs/dbraw/zinc/56/90/38/628569038.db2.gz DNJQGZLWNKTGLT-SNVBAGLBSA-N -1 3 291.725 3.249 20 10 CGCDHM O=C(Nc1cccc(-n2cccc2)c1)c1cccc(O)c1[O-] ZINC000790527015 629216013 /nfs/dbraw/zinc/21/60/13/629216013.db2.gz YKPUPHLMCRDEDG-UHFFFAOYSA-N -1 3 294.310 3.141 20 10 CGCDHM O=C(Nc1nc2ccsc2s1)c1cccc(O)c1[O-] ZINC000790745910 629227817 /nfs/dbraw/zinc/22/78/17/629227817.db2.gz MUXQXOMFQLXAIB-UHFFFAOYSA-N -1 3 292.341 3.021 20 10 CGCDHM CO[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)C1 ZINC000799738424 630229368 /nfs/dbraw/zinc/22/93/68/630229368.db2.gz YRACCIYSSKEGKT-JOYOIKCWSA-N -1 3 287.762 3.184 20 10 CGCDHM Cc1ccc2c(c1)CN(Cc1cccc(F)c1[O-])CCO2 ZINC000809703148 630787061 /nfs/dbraw/zinc/78/70/61/630787061.db2.gz FVYNXDSQUIQATB-UHFFFAOYSA-N -1 3 287.334 3.234 20 10 CGCDHM CN(Cc1ccccc1O)Cc1c(F)ccc([O-])c1F ZINC000816493058 631992138 /nfs/dbraw/zinc/99/21/38/631992138.db2.gz NPMVCDFQVFYNMQ-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM CC(C)CCC[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126301805 634956100 /nfs/dbraw/zinc/95/61/00/634956100.db2.gz YPTBXVKTEPKJFF-NSHDSACASA-N -1 3 265.353 3.042 20 10 CGCDHM Cc1nc(CNCc2c([O-])cc(C)cc2Cl)cs1 ZINC000840883033 635073097 /nfs/dbraw/zinc/07/30/97/635073097.db2.gz YKBVPOLWVLSPTQ-UHFFFAOYSA-N -1 3 282.796 3.409 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCC(C)(F)CC2)c1[O-] ZINC000879380980 635773243 /nfs/dbraw/zinc/77/32/43/635773243.db2.gz GKTVHPSJEOSSDJ-UHFFFAOYSA-N -1 3 283.318 3.058 20 10 CGCDHM Cc1csc(C(C)(C)NCc2cc(F)cc(F)c2[O-])n1 ZINC000883005305 636502357 /nfs/dbraw/zinc/50/23/57/636502357.db2.gz JUYVGQFSYJGYMA-UHFFFAOYSA-N -1 3 298.358 3.460 20 10 CGCDHM C[C@H](N[C@@H](C)c1c([O-])cccc1F)c1ccccn1 ZINC000886489447 637538974 /nfs/dbraw/zinc/53/89/74/637538974.db2.gz IXNGJDJZTPJOFI-QWRGUYRKSA-N -1 3 260.312 3.338 20 10 CGCDHM CCCc1ncc(CN[C@H](C)c2c([O-])cccc2F)o1 ZINC000886620511 637613275 /nfs/dbraw/zinc/61/32/75/637613275.db2.gz LMOXQZNOFDFAQL-SNVBAGLBSA-N -1 3 278.327 3.323 20 10 CGCDHM O=C(NCCC1CCC(F)(F)CC1)c1cccc(O)c1[O-] ZINC000890060417 638159353 /nfs/dbraw/zinc/15/93/53/638159353.db2.gz VXVILBVBXLQKBH-UHFFFAOYSA-N -1 3 299.317 3.043 20 10 CGCDHM [O-]c1c(Br)cccc1CN1CC(CC2CC2)C1 ZINC000857066809 638448307 /nfs/dbraw/zinc/44/83/07/638448307.db2.gz WLRKZKDKHNQLLE-UHFFFAOYSA-N -1 3 296.208 3.387 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)C1(C2CCC2)CCC1 ZINC000928706612 638889293 /nfs/dbraw/zinc/88/92/93/638889293.db2.gz SABKJYZJDIEDKN-UHFFFAOYSA-N -1 3 277.339 3.118 20 10 CGCDHM C[C@H](NCC(C)(F)F)c1cc(Br)ccc1[O-] ZINC000382145482 799393135 /nfs/dbraw/zinc/39/31/35/799393135.db2.gz NRSPRNIODLENDH-ZETCQYMHSA-N -1 3 294.139 3.461 20 10 CGCDHM C[C@H](N[C@@H]1CCCC1(F)F)c1cc(F)ccc1[O-] ZINC000398212087 799528362 /nfs/dbraw/zinc/52/83/62/799528362.db2.gz SRMAEKWIDGTGJD-QPUJVOFHSA-N -1 3 259.271 3.370 20 10 CGCDHM CC[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H](CC)O1 ZINC000398721951 799532705 /nfs/dbraw/zinc/53/27/05/799532705.db2.gz IXENKDJRQLALBD-BETUJISGSA-N -1 3 283.799 3.435 20 10 CGCDHM O=[N+]([O-])c1cc(F)c(NCc2c([O-])cccc2F)c(F)c1 ZINC001164186044 806910651 /nfs/dbraw/zinc/91/06/51/806910651.db2.gz XEJMSIMEQDWHOC-UHFFFAOYSA-N -1 3 298.220 3.330 20 10 CGCDHM Cc1ccc(CN(C)Cc2c([O-])cccc2F)cc1 ZINC001137837379 803780574 /nfs/dbraw/zinc/78/05/74/803780574.db2.gz DODMBSOAQWZFDT-UHFFFAOYSA-N -1 3 259.324 3.472 20 10 CGCDHM C[C@@H]1C(=O)CCN(Cc2c([O-])cccc2F)C12CCCC2 ZINC001137841395 803781394 /nfs/dbraw/zinc/78/13/94/803781394.db2.gz CYZLBMILNCSOJE-GFCCVEGCSA-N -1 3 291.366 3.255 20 10 CGCDHM COc1ccc(CN(C)Cc2c([O-])cccc2F)cc1 ZINC001137833136 803781533 /nfs/dbraw/zinc/78/15/33/803781533.db2.gz UOORYIJAUZUHQM-UHFFFAOYSA-N -1 3 275.323 3.172 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCC(F)(F)[C@@H](F)C1 ZINC001140338123 804418566 /nfs/dbraw/zinc/41/85/66/804418566.db2.gz VXOBRRBLMVDIGA-NSHDSACASA-N -1 3 279.689 3.225 20 10 CGCDHM CCN(CC(=O)OC(C)(C)C)Cc1c([O-])cccc1Cl ZINC001140341615 804420833 /nfs/dbraw/zinc/42/08/33/804420833.db2.gz ZKBDRVWDGWNNHE-UHFFFAOYSA-N -1 3 299.798 3.209 20 10 CGCDHM CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1ccc(Cl)cc1[O-] ZINC001140465592 804443747 /nfs/dbraw/zinc/44/37/47/804443747.db2.gz NYDAOOQHBYLNAM-HZMBPMFUSA-N -1 3 299.798 3.065 20 10 CGCDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@H](C(F)F)C1 ZINC001140583666 804468783 /nfs/dbraw/zinc/46/87/83/804468783.db2.gz QGRLUNQYXILPNY-QMMMGPOBSA-N -1 3 277.261 3.148 20 10 CGCDHM CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC001142066556 804693417 /nfs/dbraw/zinc/69/34/17/804693417.db2.gz UFSZGBBKNDJSJU-NEPJUHHUSA-N -1 3 277.364 3.042 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001142509081 804728983 /nfs/dbraw/zinc/72/89/83/804728983.db2.gz WKVFDKMEIAUUFY-GFCCVEGCSA-N -1 3 295.251 3.240 20 10 CGCDHM CC1(C)CCC[C@H]1CCNC(=O)c1cccc(O)c1[O-] ZINC001148523821 805192823 /nfs/dbraw/zinc/19/28/23/805192823.db2.gz XMMKFIMMHOCFMU-NSHDSACASA-N -1 3 277.364 3.044 20 10 CGCDHM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2C)ccc1O ZINC001194634568 811100884 /nfs/dbraw/zinc/10/08/84/811100884.db2.gz UYNWKHCSDJQRMY-UHFFFAOYSA-N -1 3 291.372 3.118 20 10 CGCDHM Cc1ccc(CNCc2cc(Cl)cc(F)c2[O-])nc1 ZINC001202964205 812211290 /nfs/dbraw/zinc/21/12/90/812211290.db2.gz JNBZWMNLJQFTQQ-UHFFFAOYSA-N -1 3 280.730 3.178 20 10 CGCDHM Cc1cc([O-])c(CN2CCCCC23COC3)cc1Cl ZINC001231870740 818193700 /nfs/dbraw/zinc/19/37/00/818193700.db2.gz RCZIPZCNVBSOSP-UHFFFAOYSA-N -1 3 281.783 3.109 20 10 CGCDHM CN(Cc1cccnc1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416009 818615239 /nfs/dbraw/zinc/61/52/39/818615239.db2.gz SJVBHDJMVQWNNJ-UHFFFAOYSA-N -1 3 296.292 3.438 20 10 CGCDHM CCN1CCN(c2ccc(O[C@@H](C)C3=CC=C[CH]3)cc2)CC1 ZINC001234658101 818908158 /nfs/dbraw/zinc/90/81/58/818908158.db2.gz UOCLGQNIRUXNQQ-INIZCTEOSA-N -1 3 297.422 3.296 20 10 CGCDHM O=C1CCN(Cc2cccc(-c3ccccc3)c2[O-])C[C@@H]1F ZINC001234996712 818972621 /nfs/dbraw/zinc/97/26/21/818972621.db2.gz MRUSKKKUSBGYIG-INIZCTEOSA-N -1 3 299.345 3.172 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001237623384 819788739 /nfs/dbraw/zinc/78/87/39/819788739.db2.gz MKSRXKBCNNINGJ-PELKAZGASA-N -1 3 255.720 3.169 20 10 CGCDHM CCO[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237935983 819889302 /nfs/dbraw/zinc/88/93/02/819889302.db2.gz HSDIEPDZDCEMKI-LLVKDONJSA-N -1 3 287.762 3.186 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(C2CC2)cc1 ZINC001456031425 937424903 /nfs/dbraw/zinc/42/49/03/937424903.db2.gz XDIXLRSFTXVCCT-UHFFFAOYSA-N -1 3 285.318 3.339 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1ccc2ncccc2c1 ZINC001303878591 932836614 /nfs/dbraw/zinc/83/66/14/932836614.db2.gz ODMDARJKMOHPJK-UHFFFAOYSA-N -1 3 296.301 3.010 20 10 CGCDHM CC1(C)CN(Cc2cc(F)c(F)cc2[O-])[C@@H]1[C@@H]1CCCO1 ZINC001308800636 933179473 /nfs/dbraw/zinc/17/94/73/933179473.db2.gz FDYVAQKKISFCOJ-LSDHHAIUSA-N -1 3 297.345 3.060 20 10 CGCDHM CC(C)CCO[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001308882150 933196218 /nfs/dbraw/zinc/19/62/18/933196218.db2.gz DCGXKEQIEGETJF-CYBMUJFWSA-N -1 3 299.361 3.307 20 10 CGCDHM Cc1nc(NCc2c([O-])cccc2F)sc1C ZINC001335552516 936152948 /nfs/dbraw/zinc/15/29/48/936152948.db2.gz SQNJEEFNVBGLJE-UHFFFAOYSA-N -1 3 252.314 3.217 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC001474546796 937866550 /nfs/dbraw/zinc/86/65/50/937866550.db2.gz PNECJYCGTHWHMC-HOTGVXAUSA-N -1 3 293.794 3.189 20 10 CGCDHM Cc1ccc(C(=O)N(C)c2cccc3cc[nH]c32)c([O-])c1O ZINC001557874554 938212132 /nfs/dbraw/zinc/21/21/32/938212132.db2.gz RBPAXCZHQGPBOJ-UHFFFAOYSA-N -1 3 296.326 3.164 20 10 CGCDHM CCOC(=O)CN(Cc1cc(Cl)c(C)cc1[O-])C(C)C ZINC001560681028 938269585 /nfs/dbraw/zinc/26/95/85/938269585.db2.gz SCYVDVISXLIYGZ-UHFFFAOYSA-N -1 3 299.798 3.128 20 10 CGCDHM CC[C@H]1CN(Cc2cc(F)c(F)cc2[O-])[C@@H](CC)CO1 ZINC001560919664 938283937 /nfs/dbraw/zinc/28/39/37/938283937.db2.gz KGLONKBCVYABGB-RYUDHWBXSA-N -1 3 285.334 3.060 20 10 CGCDHM C[C@H]1CCCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC001563851718 938305485 /nfs/dbraw/zinc/30/54/85/938305485.db2.gz ANGIQVBCMYSITJ-RYUDHWBXSA-N -1 3 294.370 3.157 20 10 CGCDHM Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCC(=O)[O-])c1[O-] ZINC001594307105 957977823 /nfs/dbraw/zinc/97/78/23/957977823.db2.gz DTRNURDIHMTECU-SNVBAGLBSA-N -1 3 285.771 3.260 20 10 CGCDHM CCN(Cc1ccccn1)Cc1c([O-])cccc1Cl ZINC000124808257 370927505 /nfs/dbraw/zinc/92/75/05/370927505.db2.gz BFOVFMZAQHQCBB-UHFFFAOYSA-N -1 3 276.767 3.463 20 10 CGCDHM [O-]c1ccccc1CN(C/C=C/Cl)C[C@@H]1CCCO1 ZINC000135208599 371401705 /nfs/dbraw/zinc/40/17/05/371401705.db2.gz RTOQCLJBZJAQHH-PXYYCUNGSA-N -1 3 281.783 3.126 20 10 CGCDHM Cc1c2ccccc2n(C)c1CNCc1nc(C)ccc1[O-] ZINC000355135305 380593819 /nfs/dbraw/zinc/59/38/19/380593819.db2.gz PJUXZGROTNRPDP-UHFFFAOYSA-N -1 3 295.386 3.186 20 10 CGCDHM O=C(NCCc1ccc(Cl)s1)c1cc([O-])cs1 ZINC000732272375 572456933 /nfs/dbraw/zinc/45/69/33/572456933.db2.gz RIWJZAJCEKMDLC-UHFFFAOYSA-N -1 3 287.793 3.141 20 10 CGCDHM CCc1ccccc1NC(=O)CN(C)Cc1ccccc1[O-] ZINC000109773342 392372358 /nfs/dbraw/zinc/37/23/58/392372358.db2.gz AUPKILVFMHWRBA-UHFFFAOYSA-N -1 3 298.386 3.025 20 10 CGCDHM CCn1cc([C@H](C)N[C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000296111744 263186150 /nfs/dbraw/zinc/18/61/50/263186150.db2.gz ZMAVINWQIVFMSC-WDEREUQCSA-N -1 3 277.343 3.160 20 10 CGCDHM Cc1cn2c(n1)CN(Cc1c([O-])ccc3ccccc31)CC2 ZINC000378621607 329056797 /nfs/dbraw/zinc/05/67/97/329056797.db2.gz LVZOAXRBBSSCHD-UHFFFAOYSA-N -1 3 293.370 3.066 20 10 CGCDHM C[C@H](N[C@@H]1CCc2cccc([O-])c21)c1ncccc1F ZINC000528038211 330303254 /nfs/dbraw/zinc/30/32/54/330303254.db2.gz RGXLXYWYGQLSKS-GXFFZTMASA-N -1 3 272.323 3.264 20 10 CGCDHM C[C@@H](N[C@@H](C)c1nncn1C)c1ccc2ccccc2c1[O-] ZINC000273598054 334767916 /nfs/dbraw/zinc/76/79/16/334767916.db2.gz RCQSLIVYBHOYOI-NEPJUHHUSA-N -1 3 296.374 3.086 20 10 CGCDHM CCCc1noc(CN(CCC)Cc2ccccc2[O-])n1 ZINC000076074114 521583080 /nfs/dbraw/zinc/58/30/80/521583080.db2.gz IFKMKSANHVKSBK-UHFFFAOYSA-N -1 3 289.379 3.140 20 10 CGCDHM CCCN(Cc1ncc(C)o1)Cc1ccccc1[O-] ZINC000076074017 521695203 /nfs/dbraw/zinc/69/52/03/521695203.db2.gz RKTUUTVDNRXYCS-UHFFFAOYSA-N -1 3 260.337 3.101 20 10 CGCDHM CCc1cnc(CN[C@@H]2CCc3cccc([O-])c32)s1 ZINC000297562255 522037875 /nfs/dbraw/zinc/03/78/75/522037875.db2.gz GESQACJPAKVXGB-GFCCVEGCSA-N -1 3 274.389 3.188 20 10 CGCDHM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000189907029 525671635 /nfs/dbraw/zinc/67/16/35/525671635.db2.gz VMNMZJOCUCEPCT-OCCSQVGLSA-N -1 3 297.354 3.116 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCc2[nH]c3ccccc3c2C1 ZINC000731865012 572430247 /nfs/dbraw/zinc/43/02/47/572430247.db2.gz HYOWZHJLESWRHM-UHFFFAOYSA-N -1 3 298.367 3.134 20 10 CGCDHM C[C@H]1CCC[C@H](N(C)C(=O)c2cc([O-])cs2)C1 ZINC000732268669 572456136 /nfs/dbraw/zinc/45/61/36/572456136.db2.gz JZVMJGOEQPULBU-UWVGGRQHSA-N -1 3 253.367 3.104 20 10 CGCDHM Cc1cc(NC(=O)c2cc([O-])cs2)ccc1F ZINC000732285991 572458964 /nfs/dbraw/zinc/45/89/64/572458964.db2.gz LZNZROVSULGQFK-UHFFFAOYSA-N -1 3 251.282 3.154 20 10 CGCDHM [O-]c1ccccc1CNCc1nc(-c2ccncc2)cs1 ZINC000733331266 572557550 /nfs/dbraw/zinc/55/75/50/572557550.db2.gz ILWQVSOGXMGZTE-UHFFFAOYSA-N -1 3 297.383 3.201 20 10 CGCDHM C[C@@H]1CC[C@@H](NC(=O)c2cc([O-])cs2)[C@@H](C)C1 ZINC000733363622 572559459 /nfs/dbraw/zinc/55/94/59/572559459.db2.gz AGAXQQYCOZORGR-WCABBAIRSA-N -1 3 253.367 3.008 20 10 CGCDHM C[C@H](NCc1c([O-])cccc1Cl)C(=O)OC1CCCC1 ZINC000748099326 572960179 /nfs/dbraw/zinc/96/01/79/572960179.db2.gz MIQBDCRKKRDAJK-JTQLQIEISA-N -1 3 297.782 3.010 20 10 CGCDHM CSc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000177659315 617986696 /nfs/dbraw/zinc/98/66/96/617986696.db2.gz RIRNIBBHGCLYSC-UHFFFAOYSA-N -1 3 289.356 3.380 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1ccc2c(c1)OCO2 ZINC000147320222 618734359 /nfs/dbraw/zinc/73/43/59/618734359.db2.gz OSFPGVOXBUQPKI-UHFFFAOYSA-N -1 3 277.707 3.386 20 10 CGCDHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2F)c([O-])c1O ZINC000179384689 618780377 /nfs/dbraw/zinc/78/03/77/618780377.db2.gz IQPWCOUBRGRWQH-UHFFFAOYSA-N -1 3 295.697 3.451 20 10 CGCDHM Cc1cc(Br)c([O-])c(CNc2ccon2)c1 ZINC000309901906 619059790 /nfs/dbraw/zinc/05/97/90/619059790.db2.gz IBZSVEUSXSBNPC-UHFFFAOYSA-N -1 3 283.125 3.063 20 10 CGCDHM CC1(C)CN(Cc2cc(F)cc(F)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000894789859 619632644 /nfs/dbraw/zinc/63/26/44/619632644.db2.gz LHACLHPUJBSWSI-UKRRQHHQSA-N -1 3 297.345 3.060 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(F)CC1 ZINC000895547280 619843892 /nfs/dbraw/zinc/84/38/92/619843892.db2.gz SLOZURWKPOOZQQ-UHFFFAOYSA-N -1 3 261.699 3.119 20 10 CGCDHM [O-]c1ccc(F)cc1CN[C@H]1c2ccccc2OC[C@@H]1F ZINC000896423488 620007025 /nfs/dbraw/zinc/00/70/25/620007025.db2.gz SHLYDGFZJLCDHQ-BBRMVZONSA-N -1 3 291.297 3.093 20 10 CGCDHM [O-]c1c(F)cccc1CNc1ccc(Br)nc1 ZINC000226665344 622995619 /nfs/dbraw/zinc/99/56/19/622995619.db2.gz SHLWKSOTBRBATO-UHFFFAOYSA-N -1 3 297.127 3.301 20 10 CGCDHM CCCn1cc(N[C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000186339827 625791258 /nfs/dbraw/zinc/79/12/58/625791258.db2.gz ZAIMYXZEQIBGMF-SNVBAGLBSA-N -1 3 263.316 3.311 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN[C@@H](c1ncccn1)C1CC1 ZINC000922578946 626015147 /nfs/dbraw/zinc/01/51/47/626015147.db2.gz FYDFNEZVVPVQQP-CQSZACIVSA-N -1 3 289.766 3.077 20 10 CGCDHM Cc1occc1CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756483758 626708846 /nfs/dbraw/zinc/70/88/46/626708846.db2.gz XJWTUJAZKKDADY-QMMMGPOBSA-N -1 3 267.275 3.423 20 10 CGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(F)c2)c1 ZINC000756795153 626733159 /nfs/dbraw/zinc/73/31/59/626733159.db2.gz IKPUPFJGTJXAPO-JTQLQIEISA-N -1 3 289.306 3.491 20 10 CGCDHM C[C@H](Nc1cnn(-c2ccccn2)c1)c1ccc(F)cc1[O-] ZINC000756856027 626737787 /nfs/dbraw/zinc/73/77/87/626737787.db2.gz IYGJKCOOOMJWGT-NSHDSACASA-N -1 3 298.321 3.285 20 10 CGCDHM COc1ccc(CN(C)Cc2c([O-])cccc2Cl)cn1 ZINC000757917779 626813652 /nfs/dbraw/zinc/81/36/52/626813652.db2.gz PAASHOPVOAJUJV-UHFFFAOYSA-N -1 3 292.766 3.081 20 10 CGCDHM CCOC(=O)CN(Cc1cc(Cl)ccc1[O-])CC(C)C ZINC000768761502 627496940 /nfs/dbraw/zinc/49/69/40/627496940.db2.gz DTHHGNAHANGIFF-UHFFFAOYSA-N -1 3 299.798 3.067 20 10 CGCDHM COc1c([O-])c(CNc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000774915154 628049228 /nfs/dbraw/zinc/04/92/28/628049228.db2.gz SCLICMNEFDJFTK-UHFFFAOYSA-N -1 3 292.266 3.060 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCc2c(F)ccc(F)c2C1 ZINC000779025366 628384031 /nfs/dbraw/zinc/38/40/31/628384031.db2.gz MYUVWJLHPUEQHW-UHFFFAOYSA-N -1 3 293.288 3.368 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCc2ccc(F)c(F)c2C1 ZINC000779033816 628385045 /nfs/dbraw/zinc/38/50/45/628385045.db2.gz OKJWFNSPHARUIY-UHFFFAOYSA-N -1 3 293.288 3.368 20 10 CGCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000790876853 629238974 /nfs/dbraw/zinc/23/89/74/629238974.db2.gz KTMBTUODNMHVKI-UHFFFAOYSA-N -1 3 283.327 3.036 20 10 CGCDHM C[C@H](Nc1cccc(-n2nccn2)c1)c1ccc(F)cc1[O-] ZINC000864024123 629731362 /nfs/dbraw/zinc/73/13/62/629731362.db2.gz VIJWXDNXPQXWFU-NSHDSACASA-N -1 3 298.321 3.285 20 10 CGCDHM Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1[O-] ZINC000818631546 632343823 /nfs/dbraw/zinc/34/38/23/632343823.db2.gz IXOGQOBYRJOQMK-RNCFNFMXSA-N -1 3 297.782 3.039 20 10 CGCDHM Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c1[O-] ZINC000818631546 632343828 /nfs/dbraw/zinc/34/38/28/632343828.db2.gz IXOGQOBYRJOQMK-RNCFNFMXSA-N -1 3 297.782 3.039 20 10 CGCDHM CS[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000824683789 633272973 /nfs/dbraw/zinc/27/29/73/633272973.db2.gz WJVHXDYAPJLVQJ-MRVPVSSYSA-N -1 3 275.776 3.122 20 10 CGCDHM Cc1nonc1CN[C@@H](C)c1ccc2ccccc2c1[O-] ZINC000872138035 634061042 /nfs/dbraw/zinc/06/10/42/634061042.db2.gz YYSCXCMBIQNPPP-JTQLQIEISA-N -1 3 283.331 3.088 20 10 CGCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC000126383673 635007384 /nfs/dbraw/zinc/00/73/84/635007384.db2.gz HCCZVOHKGKLJND-ZDUSSCGKSA-N -1 3 277.364 3.187 20 10 CGCDHM Cc1cc([O-])c(CN2CCC[C@@H]2c2ncon2)c(Cl)c1 ZINC000840912431 635081251 /nfs/dbraw/zinc/08/12/51/635081251.db2.gz HQYRATOURXNARO-GFCCVEGCSA-N -1 3 293.754 3.074 20 10 CGCDHM CCCc1nc(C)c(CNCc2ccc(F)c(F)c2[O-])o1 ZINC000877547619 635083414 /nfs/dbraw/zinc/08/34/14/635083414.db2.gz CYAYYODLZMDKKX-UHFFFAOYSA-N -1 3 296.317 3.209 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@]2(CC2(F)F)C1 ZINC000846117412 636146586 /nfs/dbraw/zinc/14/65/86/636146586.db2.gz PTAYPAMYLARNIY-LBPRGKRZSA-N -1 3 291.700 3.416 20 10 CGCDHM CCN(Cc1cc(Cl)ccc1[O-])CC(F)(F)F ZINC000132515018 636814225 /nfs/dbraw/zinc/81/42/25/636814225.db2.gz AYXLSDRFJPDCRS-UHFFFAOYSA-N -1 3 267.678 3.430 20 10 CGCDHM CC[C@H](NCc1ncccn1)c1cc(Cl)ccc1[O-] ZINC000850553057 637119429 /nfs/dbraw/zinc/11/94/29/637119429.db2.gz SQSUIDUEYBEJQM-LBPRGKRZSA-N -1 3 277.755 3.077 20 10 CGCDHM Cc1cnc(CN[C@@H](C)c2c([O-])cccc2F)c(C)c1 ZINC000926954808 638828880 /nfs/dbraw/zinc/82/88/80/638828880.db2.gz VXZUIXFBHMAVQX-LBPRGKRZSA-N -1 3 274.339 3.394 20 10 CGCDHM C[C@]1(c2ccccc2)C[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928710537 638889799 /nfs/dbraw/zinc/88/97/99/638889799.db2.gz UORMDTSCHUMMBD-KBXCAEBGSA-N -1 3 299.345 3.125 20 10 CGCDHM CCC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000093508679 640774240 /nfs/dbraw/zinc/77/42/40/640774240.db2.gz ACWILPLJPOHEDC-CYBMUJFWSA-N -1 3 269.772 3.047 20 10 CGCDHM CC[C@@H]1COC(C)(C)CN1Cc1cccc(Cl)c1[O-] ZINC000403811912 799572038 /nfs/dbraw/zinc/57/20/38/799572038.db2.gz JWRYRMKVJCOPBO-GFCCVEGCSA-N -1 3 283.799 3.435 20 10 CGCDHM C[C@H](NCc1c([O-])cccc1Br)C(F)(F)F ZINC000706844266 799967000 /nfs/dbraw/zinc/96/70/00/799967000.db2.gz JOBXEMMZKSXEDH-LURJTMIESA-N -1 3 298.102 3.195 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC(C(F)F)CC1 ZINC000708413122 799988167 /nfs/dbraw/zinc/98/81/67/799988167.db2.gz MAABGCSSLFSEHC-UHFFFAOYSA-N -1 3 277.261 3.148 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CNc1ccc2c[nH]nc2c1 ZINC000708419203 799988463 /nfs/dbraw/zinc/98/84/63/799988463.db2.gz AABXRVLZCGWHBL-UHFFFAOYSA-N -1 3 275.258 3.159 20 10 CGCDHM Cc1nc(CNCc2cc(F)cc(F)c2[O-])sc1C ZINC000719527491 800240426 /nfs/dbraw/zinc/24/04/26/800240426.db2.gz JNRZKRVCSIVGPC-UHFFFAOYSA-N -1 3 284.331 3.034 20 10 CGCDHM [O-]c1cccc(F)c1CN1CCc2c(F)cccc2C1 ZINC001137840082 803779898 /nfs/dbraw/zinc/77/98/98/803779898.db2.gz RNRHNLKWQNPBEU-UHFFFAOYSA-N -1 3 275.298 3.229 20 10 CGCDHM CN(Cc1nc2ccccc2o1)Cc1cccc(F)c1[O-] ZINC001138128536 803863627 /nfs/dbraw/zinc/86/36/27/803863627.db2.gz PYYBBIDSPAQSAN-UHFFFAOYSA-N -1 3 286.306 3.305 20 10 CGCDHM C[C@]1(CF)CC(F)(F)CN1Cc1cc(F)ccc1[O-] ZINC001140058310 804364525 /nfs/dbraw/zinc/36/45/25/804364525.db2.gz WVEUUXACQFGJQA-GFCCVEGCSA-N -1 3 277.261 3.101 20 10 CGCDHM C[C@@H]1C[C@H](F)CN1Cc1c([O-])cccc1Br ZINC001140098745 804376960 /nfs/dbraw/zinc/37/69/60/804376960.db2.gz LCJCDWNUINJMTK-BDAKNGLRSA-N -1 3 288.160 3.087 20 10 CGCDHM C[C@@]1(F)CCN(Cc2c([O-])cccc2Cl)C[C@@H]1F ZINC001140338064 804418639 /nfs/dbraw/zinc/41/86/39/804418639.db2.gz TUSLGUXWBZIMOC-QWHCGFSZSA-N -1 3 275.726 3.318 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H]1c1ccccn1 ZINC001142520916 804730649 /nfs/dbraw/zinc/73/06/49/804730649.db2.gz RJQRBPKYCQZAPM-OAHLLOKOSA-N -1 3 290.313 3.403 20 10 CGCDHM CN(Cc1ccsc1)Cc1cc(F)c(F)cc1[O-] ZINC001142524642 804731728 /nfs/dbraw/zinc/73/17/28/804731728.db2.gz FJAFIYNNGXBVIY-UHFFFAOYSA-N -1 3 269.316 3.364 20 10 CGCDHM C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC001148219976 805169742 /nfs/dbraw/zinc/16/97/42/805169742.db2.gz ITFZGACRICEGDL-YGRLFVJLSA-N -1 3 283.327 3.076 20 10 CGCDHM CC1(C)CN(Cc2ccc(F)c(F)c2[O-])[C@@H]1C1CC1 ZINC001182185197 810097816 /nfs/dbraw/zinc/09/78/16/810097816.db2.gz ZPTUZAJRKIMDET-CQSZACIVSA-N -1 3 267.319 3.291 20 10 CGCDHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(O)cc1C ZINC001194638684 811100378 /nfs/dbraw/zinc/10/03/78/811100378.db2.gz LKVXMEXNMHOLAY-UHFFFAOYSA-N -1 3 291.372 3.118 20 10 CGCDHM C[C@H]1CC[C@@H](CO)N1Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203574031 812396013 /nfs/dbraw/zinc/39/60/13/812396013.db2.gz KZWTZPITDVXCAL-KWQFWETISA-N -1 3 290.190 3.044 20 10 CGCDHM C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447440 818101165 /nfs/dbraw/zinc/10/11/65/818101165.db2.gz UEFIVQKNMNHPML-LBPRGKRZSA-N -1 3 297.354 3.210 20 10 CGCDHM C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231447440 818101169 /nfs/dbraw/zinc/10/11/69/818101169.db2.gz UEFIVQKNMNHPML-LBPRGKRZSA-N -1 3 297.354 3.210 20 10 CGCDHM Cc1cc([O-])c(CN2CC(F)(C3CC3)C2)cc1Cl ZINC001231869285 818193587 /nfs/dbraw/zinc/19/35/87/818193587.db2.gz PCGDGFYQGBOADR-UHFFFAOYSA-N -1 3 269.747 3.288 20 10 CGCDHM C[C@H]1c2cccn2CCN1Cc1cc(Cl)c([O-])cc1O ZINC001232262922 818297489 /nfs/dbraw/zinc/29/74/89/818297489.db2.gz WEBPDUGAXPPYPO-JTQLQIEISA-N -1 3 292.766 3.130 20 10 CGCDHM COc1cc([O-])c(CN2CCCC[C@H](F)C2)cc1Cl ZINC001232264025 818298041 /nfs/dbraw/zinc/29/80/41/818298041.db2.gz CIIGFVDDQAQHKV-NSHDSACASA-N -1 3 287.762 3.378 20 10 CGCDHM CO[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078913 819662727 /nfs/dbraw/zinc/66/27/27/819662727.db2.gz ZUTJPWQUAINRRK-VIFPVBQESA-N -1 3 290.190 3.310 20 10 CGCDHM CC(C)O[C@@H]1CCN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237127549 819673097 /nfs/dbraw/zinc/67/30/97/819673097.db2.gz HBOWLXDJNHIDMH-SNVBAGLBSA-N -1 3 287.762 3.184 20 10 CGCDHM CCOC1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237125969 819673446 /nfs/dbraw/zinc/67/34/46/819673446.db2.gz XATLTVIIGLIPAH-UHFFFAOYSA-N -1 3 287.762 3.186 20 10 CGCDHM [O-]c1ccc(F)c(Cl)c1CN1CCC[C@H]2C[C@H]21 ZINC001237127636 819673841 /nfs/dbraw/zinc/67/38/41/819673841.db2.gz DOQVXXALBRIOFJ-GZMMTYOYSA-N -1 3 255.720 3.169 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237812458 819848686 /nfs/dbraw/zinc/84/86/86/819848686.db2.gz GUKZKQXHRXVSBI-VIRWGQHYSA-N -1 3 273.710 3.117 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@H](C)O[C@@H](C3CC3)C2)c(Cl)c1 ZINC001462176364 937622844 /nfs/dbraw/zinc/62/28/44/937622844.db2.gz IWXQUOJFURXOEF-MEDUHNTESA-N -1 3 295.810 3.353 20 10 CGCDHM Cc1cccc(CNCc2c([O-])cccc2F)c1F ZINC001462589069 937652525 /nfs/dbraw/zinc/65/25/25/937652525.db2.gz JINRFDKEMULMCX-UHFFFAOYSA-N -1 3 263.287 3.269 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(F)c(F)c1 ZINC001310065274 933249886 /nfs/dbraw/zinc/24/98/86/933249886.db2.gz JSZCJCHKFKHJSH-UHFFFAOYSA-N -1 3 296.248 3.131 20 10 CGCDHM C[N@H+](Cc1ccccc1[O-])Cc1cc(F)cc(F)c1[O-] ZINC001308623868 958797674 /nfs/dbraw/zinc/79/76/74/958797674.db2.gz IGGBUYSTMHVQTB-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM C[N@@H+](Cc1ccccc1[O-])Cc1cc(F)cc(F)c1[O-] ZINC001308623868 958797694 /nfs/dbraw/zinc/79/76/94/958797694.db2.gz IGGBUYSTMHVQTB-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM C[C@@H]1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C[C@@H]1C ZINC001564538428 960658806 /nfs/dbraw/zinc/65/88/06/960658806.db2.gz GQBYWHYRWAXQAA-GRYCIOLGSA-N -1 3 294.370 3.155 20 10 CGCDHM CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC001595362818 980774989 /nfs/dbraw/zinc/77/49/89/980774989.db2.gz PWLKQVSVBAJOGH-INIZCTEOSA-N -1 3 299.370 3.430 20 10 CGCDHM CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccccc1[O-] ZINC001595362818 980774993 /nfs/dbraw/zinc/77/49/93/980774993.db2.gz PWLKQVSVBAJOGH-INIZCTEOSA-N -1 3 299.370 3.430 20 10 CGCDHM C[C@H](c1ccccc1)[N@H+](CCC(=O)[O-])Cc1ccccc1[O-] ZINC001593709677 996206104 /nfs/dbraw/zinc/20/61/04/996206104.db2.gz AVDHYGTXMGFORE-CQSZACIVSA-N -1 3 299.370 3.430 20 10 CGCDHM C[C@H](c1ccccc1)[N@@H+](CCC(=O)[O-])Cc1ccccc1[O-] ZINC001593709677 996206108 /nfs/dbraw/zinc/20/61/08/996206108.db2.gz AVDHYGTXMGFORE-CQSZACIVSA-N -1 3 299.370 3.430 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000294745498 372670150 /nfs/dbraw/zinc/67/01/50/372670150.db2.gz RBJIMLVPYSYPCG-DZGCQCFKSA-N -1 3 299.773 3.328 20 10 CGCDHM C[C@@H](NCc1ncc(C(F)(F)F)cn1)c1ccccc1[O-] ZINC000296512348 373159953 /nfs/dbraw/zinc/15/99/53/373159953.db2.gz PMTANHSAYGIWLV-SECBINFHSA-N -1 3 297.280 3.052 20 10 CGCDHM Cc1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(O)c1[O-] ZINC000179406733 373870385 /nfs/dbraw/zinc/87/03/85/373870385.db2.gz ZOYXJWUHSBVORE-UHFFFAOYSA-N -1 3 297.354 3.308 20 10 CGCDHM CC[C@@](C)(NCc1cc(F)ccc1[O-])c1nccs1 ZINC000180772423 374044586 /nfs/dbraw/zinc/04/45/86/374044586.db2.gz XXFJOJFNLDIXTG-CQSZACIVSA-N -1 3 280.368 3.403 20 10 CGCDHM CC(C)O[C@@]1(C)C[C@H]1NCc1cc(Cl)cc(F)c1[O-] ZINC000529671098 375933498 /nfs/dbraw/zinc/93/34/98/375933498.db2.gz ZCMHVIMKUCIYMU-OCCSQVGLSA-N -1 3 287.762 3.230 20 10 CGCDHM COc1cccc(C2(NCc3cccc(F)c3[O-])CC2)c1 ZINC000272388260 378627387 /nfs/dbraw/zinc/62/73/87/378627387.db2.gz IPXHQVJHQRGCOT-UHFFFAOYSA-N -1 3 287.334 3.319 20 10 CGCDHM CN(CCc1ccccn1)Cc1c([O-])cccc1Cl ZINC000273381452 378744216 /nfs/dbraw/zinc/74/42/16/378744216.db2.gz HUKRFYKAGQJMLK-UHFFFAOYSA-N -1 3 276.767 3.115 20 10 CGCDHM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC000273438562 378746524 /nfs/dbraw/zinc/74/65/24/378746524.db2.gz XVXAVERVYPMJRW-WDEREUQCSA-N -1 3 287.319 3.107 20 10 CGCDHM C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000273450636 378746786 /nfs/dbraw/zinc/74/67/86/378746786.db2.gz FWJUPPOMKADAMI-BMIGLBTASA-N -1 3 293.313 3.055 20 10 CGCDHM CC[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(F)cc1[O-] ZINC000286281980 380188223 /nfs/dbraw/zinc/18/82/23/380188223.db2.gz WAONSWMZJWTKSG-ZIAGYGMSSA-N -1 3 289.354 3.373 20 10 CGCDHM Cc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)c([O-])c1O ZINC000177666917 392665092 /nfs/dbraw/zinc/66/50/92/392665092.db2.gz CSCVYZXHWYDZEL-HNNXBMFYSA-N -1 3 297.354 3.384 20 10 CGCDHM CCC1(CC)CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000272749504 393264809 /nfs/dbraw/zinc/26/48/09/393264809.db2.gz NUOCAVIKALWKCG-UHFFFAOYSA-N -1 3 277.364 3.059 20 10 CGCDHM Cc1ccc(C(=O)N(C)CCCc2ccccc2)c([O-])c1O ZINC000182022628 261919786 /nfs/dbraw/zinc/91/97/86/261919786.db2.gz MDLYXDIZNCXCNV-UHFFFAOYSA-N -1 3 299.370 3.111 20 10 CGCDHM C[C@@H](Nc1cnn(CC(F)F)c1)c1cc(F)ccc1[O-] ZINC000186341938 262089466 /nfs/dbraw/zinc/08/94/66/262089466.db2.gz MSESOESOFRQVLZ-MRVPVSSYSA-N -1 3 285.269 3.166 20 10 CGCDHM CCc1cnc(CN[C@H](C)c2ccc(F)cc2[O-])s1 ZINC000185584217 262305889 /nfs/dbraw/zinc/30/58/89/262305889.db2.gz XBKXSPJFTQTQDN-SECBINFHSA-N -1 3 280.368 3.401 20 10 CGCDHM Cn1cccc1[C@H]1CCCN1Cc1cccc(F)c1[O-] ZINC000272273984 263003073 /nfs/dbraw/zinc/00/30/73/263003073.db2.gz LUKGSCJPQLMBPF-OAHLLOKOSA-N -1 3 274.339 3.207 20 10 CGCDHM CC(C)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000193133021 279021035 /nfs/dbraw/zinc/02/10/35/279021035.db2.gz XJHOALGJBVHAET-LBPRGKRZSA-N -1 3 277.364 3.139 20 10 CGCDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])CCC1(F)F ZINC000291564672 525005383 /nfs/dbraw/zinc/00/53/83/525005383.db2.gz NIHQPZHRMSTTOP-SECBINFHSA-N -1 3 259.271 3.008 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CCCc2c[nH]nc21 ZINC000365166016 526347079 /nfs/dbraw/zinc/34/70/79/526347079.db2.gz DLPFAGUVVJUMAY-LLVKDONJSA-N -1 3 295.745 3.075 20 10 CGCDHM [O-]c1cccc(Cl)c1CNCC(F)(F)C(F)F ZINC000236590685 526363353 /nfs/dbraw/zinc/36/33/53/526363353.db2.gz JSYHDZLOCZIXPP-UHFFFAOYSA-N -1 3 271.641 3.036 20 10 CGCDHM CCOc1cccc([C@H](C)NC(=O)c2cc([O-])cs2)c1 ZINC000731871258 572431313 /nfs/dbraw/zinc/43/13/13/572431313.db2.gz IEHIGZHZKFHQBX-JTQLQIEISA-N -1 3 291.372 3.343 20 10 CGCDHM O=C(NCC1(c2cccc(F)c2)CC1)c1cc([O-])cs1 ZINC000740128102 572433433 /nfs/dbraw/zinc/43/34/33/572433433.db2.gz KRIOOFISVLNCGE-UHFFFAOYSA-N -1 3 291.347 3.054 20 10 CGCDHM O=C(OCCCOc1ccc(F)cc1)c1cc([O-])cs1 ZINC000731909239 572436021 /nfs/dbraw/zinc/43/60/21/572436021.db2.gz DPRCTAQITYZZLL-UHFFFAOYSA-N -1 3 296.319 3.219 20 10 CGCDHM Cc1occc1CNCc1cccc(Br)c1[O-] ZINC000725848668 572440892 /nfs/dbraw/zinc/44/08/92/572440892.db2.gz BLQAEFDEWADUON-UHFFFAOYSA-N -1 3 296.164 3.346 20 10 CGCDHM Cc1ccc(CCCNC(=O)c2cc([O-])cs2)c(C)c1 ZINC000732258853 572454966 /nfs/dbraw/zinc/45/49/66/572454966.db2.gz YSSFAHXYQQEVGH-UHFFFAOYSA-N -1 3 289.400 3.433 20 10 CGCDHM C[C@H](c1ccccc1)N(C)C(=O)c1cc([O-])cs1 ZINC000732257784 572458365 /nfs/dbraw/zinc/45/83/65/572458365.db2.gz BLVIXMOJODZGEQ-SNVBAGLBSA-N -1 3 261.346 3.287 20 10 CGCDHM Cc1cccc2c1CC[C@H]2NC(=O)c1cc([O-])cs1 ZINC000732288001 572458976 /nfs/dbraw/zinc/45/89/76/572458976.db2.gz LKCWCCNZJYDHQT-CYBMUJFWSA-N -1 3 273.357 3.179 20 10 CGCDHM C[C@H]1CCCC[C@H]1CCNC(=O)c1cc([O-])cs1 ZINC000734017720 572624385 /nfs/dbraw/zinc/62/43/85/572624385.db2.gz PFQPBEBEIOHSEO-QWRGUYRKSA-N -1 3 267.394 3.400 20 10 CGCDHM CC(C)[C@H]1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000734178793 572635988 /nfs/dbraw/zinc/63/59/88/572635988.db2.gz RXIIHWDSVGZUAE-NSHDSACASA-N -1 3 267.394 3.352 20 10 CGCDHM CC(C)COc1ccc(NC(=O)c2cc([O-])cs2)cn1 ZINC000735118144 572701304 /nfs/dbraw/zinc/70/13/04/572701304.db2.gz KHKMSEZHCCVVKZ-UHFFFAOYSA-N -1 3 292.360 3.136 20 10 CGCDHM C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cc([O-])cs1 ZINC000748419867 572976295 /nfs/dbraw/zinc/97/62/95/572976295.db2.gz RPTAZWVUDJWEKD-RKDXNWHRSA-N -1 3 253.367 3.008 20 10 CGCDHM C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000748857452 572987020 /nfs/dbraw/zinc/98/70/20/572987020.db2.gz ASBPOQKEAQGDCX-KOLCDFICSA-N -1 3 267.394 3.398 20 10 CGCDHM CC(C)(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)[O-] ZINC000833458360 605519264 /nfs/dbraw/zinc/51/92/64/605519264.db2.gz PNCFIDGFCUQUDI-UHFFFAOYSA-N -1 3 299.370 3.260 20 10 CGCDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ncc(Cl)s2)n1 ZINC000850000330 618753981 /nfs/dbraw/zinc/75/39/81/618753981.db2.gz QJYVFVHQQYRWPY-ZCFIWIBFSA-N -1 3 287.797 3.454 20 10 CGCDHM Cc1nc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2o1 ZINC000179414383 618783357 /nfs/dbraw/zinc/78/33/57/618783357.db2.gz HTHLGXXEQKSFHM-UHFFFAOYSA-N -1 3 298.298 3.108 20 10 CGCDHM Cc1ccc(C(=O)Nc2cnc3ccccc3c2)c([O-])c1O ZINC000177667194 618834680 /nfs/dbraw/zinc/83/46/80/618834680.db2.gz WUYCJEROKSLXCH-UHFFFAOYSA-N -1 3 294.310 3.207 20 10 CGCDHM Cn1cccc1[C@H]1CCCN1Cc1cc(F)cc(F)c1[O-] ZINC000893910250 619331049 /nfs/dbraw/zinc/33/10/49/619331049.db2.gz ZGAUOBYQPREBIX-OAHLLOKOSA-N -1 3 292.329 3.346 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(F)CC1 ZINC000895547038 619843703 /nfs/dbraw/zinc/84/37/03/619843703.db2.gz IRHAMZNYXZWTHA-UHFFFAOYSA-N -1 3 261.699 3.119 20 10 CGCDHM [O-]c1cccc(F)c1CNc1cc(Cl)nc(C2CC2)n1 ZINC000895833194 619894279 /nfs/dbraw/zinc/89/42/79/619894279.db2.gz VVLNYAAOWAJQHD-UHFFFAOYSA-N -1 3 293.729 3.464 20 10 CGCDHM COC[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1ccc(C)o1 ZINC000185630312 625399507 /nfs/dbraw/zinc/39/95/07/625399507.db2.gz HTXXKEHXHOIZLN-BXUZGUMPSA-N -1 3 293.338 3.471 20 10 CGCDHM CN(Cc1cc2ccccc2o1)C(=O)c1cccc(O)c1[O-] ZINC000185787877 625440562 /nfs/dbraw/zinc/44/05/62/625440562.db2.gz MVWGQHFDSWECHM-UHFFFAOYSA-N -1 3 297.310 3.116 20 10 CGCDHM Cc1cnc(CNCc2cccc(Cl)c2[O-])s1 ZINC000224827916 622888807 /nfs/dbraw/zinc/88/88/07/622888807.db2.gz NBQLDBNTQJFOMH-UHFFFAOYSA-N -1 3 268.769 3.100 20 10 CGCDHM C[C@H](Nc1cnn(CC2CC2)c1)c1ccc(F)cc1[O-] ZINC000186358176 625794689 /nfs/dbraw/zinc/79/46/89/625794689.db2.gz UCUVVVWVMJAHNX-JTQLQIEISA-N -1 3 275.327 3.311 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)NC1CCC2(CC2)CC1 ZINC000922203558 625983189 /nfs/dbraw/zinc/98/31/89/625983189.db2.gz CJBQHGOKICLLRC-UHFFFAOYSA-N -1 3 292.354 3.053 20 10 CGCDHM C[C@@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1ccccn1 ZINC000756344205 626693827 /nfs/dbraw/zinc/69/38/27/626693827.db2.gz SEHNZCSTVSNIQN-VHSXEESVSA-N -1 3 278.302 3.477 20 10 CGCDHM CC[C@@H](N[C@@H](C)c1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000756660316 626725570 /nfs/dbraw/zinc/72/55/70/626725570.db2.gz VONIQYIMNYCONM-GXFFZTMASA-N -1 3 297.370 3.302 20 10 CGCDHM CC1=CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000769445641 627552749 /nfs/dbraw/zinc/55/27/49/627552749.db2.gz JGOYUTLOQUTELZ-UHFFFAOYSA-N -1 3 282.181 3.307 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN[C@@H]1CCCc2c[nH]nc21 ZINC000776251709 628184706 /nfs/dbraw/zinc/18/47/06/628184706.db2.gz UUUCWKXDJLQCJT-GFCCVEGCSA-N -1 3 295.745 3.075 20 10 CGCDHM CCCC[C@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000776646549 628224388 /nfs/dbraw/zinc/22/43/88/628224388.db2.gz YLRXROZNNSFQRR-WCQYABFASA-N -1 3 277.364 3.187 20 10 CGCDHM C[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])C[C@H]1F ZINC000779151493 628390978 /nfs/dbraw/zinc/39/09/78/628390978.db2.gz YVBSLWLOWFANCJ-BXKDBHETSA-N -1 3 257.736 3.226 20 10 CGCDHM C[C@H]1CCN(Cc2c([O-])cccc2Cl)C[C@@H]1F ZINC000779151516 628391041 /nfs/dbraw/zinc/39/10/41/628391041.db2.gz ZLKSRUSEQWRQDO-CABZTGNLSA-N -1 3 257.736 3.226 20 10 CGCDHM CCC[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000790642979 629222343 /nfs/dbraw/zinc/22/23/43/629222343.db2.gz KKHPVAJRJLPNTQ-CQSZACIVSA-N -1 3 299.370 3.239 20 10 CGCDHM CO[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[C@@H]1C ZINC000792180389 629345967 /nfs/dbraw/zinc/34/59/67/629345967.db2.gz QZTPCWAXEPSXOM-ZANVPECISA-N -1 3 287.762 3.042 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1Cn1cnc2c1CCCC2 ZINC000862431013 629370299 /nfs/dbraw/zinc/37/02/99/629370299.db2.gz BENQVWXYJTXMOE-UHFFFAOYSA-N -1 3 280.730 3.308 20 10 CGCDHM CC(C)C1CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000793189909 629425952 /nfs/dbraw/zinc/42/59/52/629425952.db2.gz PQKOWGKSQSATAV-UHFFFAOYSA-N -1 3 257.736 3.273 20 10 CGCDHM CCc1cc(CN[C@@H](CC)c2ccc(F)cc2[O-])on1 ZINC000796781081 629832763 /nfs/dbraw/zinc/83/27/63/629832763.db2.gz UZFIDYDOKCZSAO-AWEZNQCLSA-N -1 3 278.327 3.323 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC(C2CCOCC2)C1 ZINC000800531621 630292074 /nfs/dbraw/zinc/29/20/74/630292074.db2.gz HQWBUKGCLRHSNL-UHFFFAOYSA-N -1 3 299.773 3.043 20 10 CGCDHM CCc1nc(C)c(CN[C@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000813888010 631477415 /nfs/dbraw/zinc/47/74/15/631477415.db2.gz ZOTDHNKEXOHNHO-MRVPVSSYSA-N -1 3 296.317 3.380 20 10 CGCDHM CN(Cc1ccco1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816482180 631990075 /nfs/dbraw/zinc/99/00/75/631990075.db2.gz XDSSVBZSGUIQKP-UHFFFAOYSA-N -1 3 269.703 3.410 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1cccnc1F ZINC000816595141 632020339 /nfs/dbraw/zinc/02/03/39/632020339.db2.gz BACBTHIUKVSVNS-UHFFFAOYSA-N -1 3 284.693 3.009 20 10 CGCDHM CCCc1ncc(CNCc2cc(Cl)cc(F)c2[O-])o1 ZINC000825086910 633327031 /nfs/dbraw/zinc/32/70/31/633327031.db2.gz WRNQGBVOBKBNMH-UHFFFAOYSA-N -1 3 298.745 3.415 20 10 CGCDHM CC[C@H](N[C@@H]1CCn2ccnc21)c1cccc(Cl)c1[O-] ZINC000834830815 634251963 /nfs/dbraw/zinc/25/19/63/634251963.db2.gz GWGLXXDCTNWARW-QWHCGFSZSA-N -1 3 291.782 3.428 20 10 CGCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])c(Cl)c1 ZINC000126239869 634926022 /nfs/dbraw/zinc/92/60/22/634926022.db2.gz FLLASKXUEYQPOA-UHFFFAOYSA-N -1 3 277.707 3.312 20 10 CGCDHM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CCC1(F)F ZINC000877540304 635079356 /nfs/dbraw/zinc/07/93/56/635079356.db2.gz WBLRWTJHKPJKOB-MRVPVSSYSA-N -1 3 277.261 3.148 20 10 CGCDHM Cc1cc([O-])c(CN(C)Cc2cscn2)c(Cl)c1 ZINC000840912937 635081344 /nfs/dbraw/zinc/08/13/44/635081344.db2.gz ZTZAJSRFGMQFQQ-UHFFFAOYSA-N -1 3 282.796 3.443 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2CCS[C@H](C)C2)c1[O-] ZINC000135820932 637188420 /nfs/dbraw/zinc/18/84/20/637188420.db2.gz XTNOSLOHQAAKLJ-SECBINFHSA-N -1 3 299.823 3.186 20 10 CGCDHM C/C(=C\C(=O)NCc1c([O-])cccc1F)C(C)(C)C ZINC000928712594 638889575 /nfs/dbraw/zinc/88/95/75/638889575.db2.gz SLDQOHDOBVMXOA-CSKARUKUSA-N -1 3 265.328 3.140 20 10 CGCDHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928712621 638889699 /nfs/dbraw/zinc/88/96/99/638889699.db2.gz SRBGZCQJQYDEOO-UONOGXRCSA-N -1 3 299.345 3.260 20 10 CGCDHM Cc1cc(Cl)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000188085054 640119084 /nfs/dbraw/zinc/11/90/84/640119084.db2.gz DGCGKLRMONXXGZ-UHFFFAOYSA-N -1 3 277.707 3.312 20 10 CGCDHM CCN(Cc1ccccc1C)C(=O)c1cccc(O)c1[O-] ZINC000192975956 640423036 /nfs/dbraw/zinc/42/30/36/640423036.db2.gz WAHNQWBRBQHADS-UHFFFAOYSA-N -1 3 285.343 3.069 20 10 CGCDHM C[C@H]1CCCC[C@@H]1CC(=O)NCc1c([O-])cccc1F ZINC001156170128 805661898 /nfs/dbraw/zinc/66/18/98/805661898.db2.gz HMCNTCPITQGDES-NWDGAFQWSA-N -1 3 279.355 3.364 20 10 CGCDHM CCOc1ccc(-c2nnc(-c3cccc(O)c3[O-])o2)cc1 ZINC001252050777 805980620 /nfs/dbraw/zinc/98/06/20/805980620.db2.gz VCZOOQLEEVQIKU-UHFFFAOYSA-N -1 3 298.298 3.214 20 10 CGCDHM CC[C@@]1(C)COCCN1Cc1cc(Cl)ccc1[O-] ZINC000687973790 799742679 /nfs/dbraw/zinc/74/26/79/799742679.db2.gz MUPCHFOVNJKDIX-AWEZNQCLSA-N -1 3 269.772 3.047 20 10 CGCDHM CN(CC(=O)c1ccccc1)Cc1c([O-])cccc1Cl ZINC001140341745 804419391 /nfs/dbraw/zinc/41/93/91/804419391.db2.gz FXOFPXGWWFQSQV-UHFFFAOYSA-N -1 3 289.762 3.360 20 10 CGCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCCC[C@@H]1C ZINC001143553179 804866428 /nfs/dbraw/zinc/86/64/28/804866428.db2.gz LMNHTSWIIOPAKY-WCQYABFASA-N -1 3 277.364 3.139 20 10 CGCDHM CC(C)(C)c1cc([O-])c(CN2CCOCC2)cc1Cl ZINC001248880477 805029490 /nfs/dbraw/zinc/02/94/90/805029490.db2.gz KAKAPCJYJYBWKH-UHFFFAOYSA-N -1 3 283.799 3.175 20 10 CGCDHM [O-]c1cc(F)cc(F)c1Nc1ccnc2ccccc21 ZINC001174038227 808835578 /nfs/dbraw/zinc/83/55/78/808835578.db2.gz KKBLIMLOJMKYLK-UHFFFAOYSA-N -1 3 272.254 3.384 20 10 CGCDHM Cn1c2ccccc2nc1NCc1cc(F)c(F)cc1[O-] ZINC001184450103 810200130 /nfs/dbraw/zinc/20/01/30/810200130.db2.gz HJJNSXRWWROIEM-UHFFFAOYSA-N -1 3 289.285 3.169 20 10 CGCDHM C[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC1CCCCC1 ZINC001231565624 818124394 /nfs/dbraw/zinc/12/43/94/818124394.db2.gz IOXKITOLWKYFOO-UHFFFAOYSA-N -1 3 277.364 3.103 20 10 CGCDHM C[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])CC1CCCCC1 ZINC001231565624 818124399 /nfs/dbraw/zinc/12/43/99/818124399.db2.gz IOXKITOLWKYFOO-UHFFFAOYSA-N -1 3 277.364 3.103 20 10 CGCDHM Cc1cc([O-])c(CN(C)CC(F)(F)F)cc1Cl ZINC001231868971 818194528 /nfs/dbraw/zinc/19/45/28/818194528.db2.gz JNNXIRWUQQAUIX-UHFFFAOYSA-N -1 3 267.678 3.348 20 10 CGCDHM C[C@@]1(F)CCN(Cc2cc(Cl)c([O-])cc2O)C[C@@H]1F ZINC001232258927 818294926 /nfs/dbraw/zinc/29/49/26/818294926.db2.gz DOQZNXUGUZKMJN-QWHCGFSZSA-N -1 3 291.725 3.023 20 10 CGCDHM [O-]c1cc(O)c(CN2CCc3sccc3C2)cc1Cl ZINC001232257336 818295359 /nfs/dbraw/zinc/29/53/59/818295359.db2.gz CGYXVSQIKSTRNK-UHFFFAOYSA-N -1 3 295.791 3.371 20 10 CGCDHM COc1cc([O-])c(CN2CC[C@@H](C)[C@H](F)C2)cc1Cl ZINC001232266386 818297699 /nfs/dbraw/zinc/29/76/99/818297699.db2.gz NAUIKRSIFGKCSM-BXKDBHETSA-N -1 3 287.762 3.234 20 10 CGCDHM COc1cc([O-])c(CN2C[C@@H](C)C[C@H]2CF)c(Cl)c1 ZINC001236798873 819599449 /nfs/dbraw/zinc/59/94/49/819599449.db2.gz PWBCABFTXCFWLX-UWVGGRQHSA-N -1 3 287.762 3.234 20 10 CGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@H]2OCC[C@H]21 ZINC001237077431 819660411 /nfs/dbraw/zinc/66/04/11/819660411.db2.gz HPJOTYHAXNCWIL-ZYHUDNBSSA-N -1 3 288.174 3.062 20 10 CGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[C@@H]2C1 ZINC001237078350 819662782 /nfs/dbraw/zinc/66/27/82/819662782.db2.gz PWLGWFWFZXMSHD-OCAPTIKFSA-N -1 3 258.148 3.151 20 10 CGCDHM CO[C@H](C)C1CN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237085736 819664216 /nfs/dbraw/zinc/66/42/16/819664216.db2.gz HGCBUDNBXWSZBV-MRVPVSSYSA-N -1 3 290.190 3.166 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CC2CC(C2)C1 ZINC001237804895 819848167 /nfs/dbraw/zinc/84/81/67/819848167.db2.gz HVJUAVZRQBZQAS-UHFFFAOYSA-N -1 3 255.720 3.027 20 10 CGCDHM CCOC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237813148 819851325 /nfs/dbraw/zinc/85/13/25/819851325.db2.gz KVIKTMVIHUPGOT-UHFFFAOYSA-N -1 3 287.762 3.186 20 10 CGCDHM C[C@@H](c1ccncc1)N(C)Cc1cc(F)c(F)cc1[O-] ZINC001560745268 937237156 /nfs/dbraw/zinc/23/71/56/937237156.db2.gz IVYAYLUTDFJQDB-JTQLQIEISA-N -1 3 278.302 3.258 20 10 CGCDHM [O-]c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1F ZINC001461227784 937570748 /nfs/dbraw/zinc/57/07/48/937570748.db2.gz CVVUQOBBHFLDIA-UHFFFAOYSA-N -1 3 299.704 3.319 20 10 CGCDHM CC(C)N(Cc1ccccn1)Cc1cc(F)c(F)cc1[O-] ZINC001461931486 937607512 /nfs/dbraw/zinc/60/75/12/937607512.db2.gz AVFYIKQNWKYALO-UHFFFAOYSA-N -1 3 292.329 3.476 20 10 CGCDHM C[C@@H](C(=O)NCc1c([O-])cccc1F)c1cccs1 ZINC001303877779 932836262 /nfs/dbraw/zinc/83/62/62/932836262.db2.gz GXALULVCURAMOK-SECBINFHSA-N -1 3 279.336 3.013 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@@H](C)O[C@H](C3CC3)C2)cc1Cl ZINC001308730955 933165299 /nfs/dbraw/zinc/16/52/99/933165299.db2.gz DHUKUBCPFVMKJP-BZNIZROVSA-N -1 3 295.810 3.353 20 10 CGCDHM CCOc1cccc(NCc2ccc(Cl)cc2[O-])n1 ZINC001560931616 938284553 /nfs/dbraw/zinc/28/45/53/938284553.db2.gz MTXBXSNWBHATTM-UHFFFAOYSA-N -1 3 278.739 3.451 20 10 CGCDHM C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593222106 994331240 /nfs/dbraw/zinc/33/12/40/994331240.db2.gz HDPSMYRPPIONOL-KOLCDFICSA-N -1 3 299.317 3.319 20 10 CGCDHM C[C@@H]([NH2+]Cc1cccs1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593305622 994766184 /nfs/dbraw/zinc/76/61/84/994766184.db2.gz YPYMJNFAPFIPPT-SECBINFHSA-N -1 3 277.345 3.003 20 10 CGCDHM CN(Cc1csc(C2CC2)n1)Cc1ccccc1[O-] ZINC000136360313 371474899 /nfs/dbraw/zinc/47/48/99/371474899.db2.gz KZGFHQWSVGCIIE-UHFFFAOYSA-N -1 3 274.389 3.358 20 10 CGCDHM COC[C@@H](NCc1cccc(Cl)c1[O-])c1ccc(C)o1 ZINC000182529852 374287989 /nfs/dbraw/zinc/28/79/89/374287989.db2.gz ZCMPGOFMSLNXSR-CYBMUJFWSA-N -1 3 295.766 3.424 20 10 CGCDHM C[C@H](c1ccccn1)N(C)Cc1cc(F)ccc1[O-] ZINC000183676357 374440931 /nfs/dbraw/zinc/44/09/31/374440931.db2.gz WHWWZFJMDPYVIT-LLVKDONJSA-N -1 3 260.312 3.119 20 10 CGCDHM [O-]c1ccc(Cl)cc1CNc1cnc2c(c1)COCC2 ZINC000375054973 379485354 /nfs/dbraw/zinc/48/53/54/379485354.db2.gz QVVDMAPOQOHJOI-UHFFFAOYSA-N -1 3 290.750 3.125 20 10 CGCDHM CCCCN(Cc1nnc(C)s1)Cc1ccccc1[O-] ZINC000282488726 379930017 /nfs/dbraw/zinc/93/00/17/379930017.db2.gz POZFICMEVXBVQU-UHFFFAOYSA-N -1 3 291.420 3.354 20 10 CGCDHM C[C@@H](C1CCCCC1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000282369246 379905686 /nfs/dbraw/zinc/90/56/86/379905686.db2.gz BYYGGFKXAMCOKI-NSHDSACASA-N -1 3 277.364 3.139 20 10 CGCDHM CC[C@H](NCc1cc(C)no1)c1ccc(F)cc1[O-] ZINC000286034405 380158829 /nfs/dbraw/zinc/15/88/29/380158829.db2.gz KGUBZIOSNOPGKY-ZDUSSCGKSA-N -1 3 264.300 3.069 20 10 CGCDHM COc1ccc(C)cc1NC(=O)c1cc([O-])cs1 ZINC000732257931 572458319 /nfs/dbraw/zinc/45/83/19/572458319.db2.gz ABSJLVKRVJPOKS-UHFFFAOYSA-N -1 3 263.318 3.023 20 10 CGCDHM CC(C)(C)c1nc(CNCc2ccccc2[O-])cs1 ZINC000134232648 392466314 /nfs/dbraw/zinc/46/63/14/392466314.db2.gz KYWWMUUFBZMZMI-UHFFFAOYSA-N -1 3 276.405 3.436 20 10 CGCDHM Cc1ccc(C(=O)N(C)[C@H](C)c2cccs2)c([O-])c1O ZINC000179435620 392702692 /nfs/dbraw/zinc/70/26/92/392702692.db2.gz HIGBHKIOFDOGFR-SNVBAGLBSA-N -1 3 291.372 3.301 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1cccs1 ZINC000186827542 262110941 /nfs/dbraw/zinc/11/09/41/262110941.db2.gz PBIVWCWRINPIBM-LLVKDONJSA-N -1 3 289.356 3.137 20 10 CGCDHM CCn1cc([C@H](C)N[C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000296109934 263186136 /nfs/dbraw/zinc/18/61/36/263186136.db2.gz ZMAVINWQIVFMSC-QWRGUYRKSA-N -1 3 277.343 3.160 20 10 CGCDHM Cc1ccc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c([O-])c1O ZINC000376868101 268026491 /nfs/dbraw/zinc/02/64/91/268026491.db2.gz DHFWYXUSQPKYPW-PIGZYNQJSA-N -1 3 289.375 3.059 20 10 CGCDHM Cc1ncccc1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000527987936 330298975 /nfs/dbraw/zinc/29/89/75/330298975.db2.gz QFJCQBMXTDUKKD-LLVKDONJSA-N -1 3 260.312 3.086 20 10 CGCDHM CCCOc1cncc(NCc2cccc(F)c2[O-])c1 ZINC000529649818 333503662 /nfs/dbraw/zinc/50/36/62/333503662.db2.gz BHLYFACONYHNES-UHFFFAOYSA-N -1 3 276.311 3.327 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCC[C@H]1c1ccncc1 ZINC000289730014 526327957 /nfs/dbraw/zinc/32/79/57/526327957.db2.gz HUZBZBYPIARZNV-HNNXBMFYSA-N -1 3 272.323 3.263 20 10 CGCDHM CCOc1ccc(CN[C@@H](C)c2nc(C)cs2)c([O-])c1 ZINC000727837166 571772129 /nfs/dbraw/zinc/77/21/29/571772129.db2.gz MGCSVCILDJRAIN-NSHDSACASA-N -1 3 292.404 3.407 20 10 CGCDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1ccc(F)cc1F ZINC000732265188 572454857 /nfs/dbraw/zinc/45/48/57/572454857.db2.gz OHHRQAYXWARQOP-SSDOTTSWSA-N -1 3 283.299 3.223 20 10 CGCDHM CC[C@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000732269917 572455787 /nfs/dbraw/zinc/45/57/87/572455787.db2.gz MDPOGCJXTABTMG-ONGXEEELSA-N -1 3 253.367 3.152 20 10 CGCDHM Cc1c(COC(=O)c2cc([O-])cs2)cccc1[N+](=O)[O-] ZINC000732354044 572461219 /nfs/dbraw/zinc/46/12/19/572461219.db2.gz NYJOCRBCCATIOS-UHFFFAOYSA-N -1 3 293.300 3.027 20 10 CGCDHM CCc1cccc(OCCOC(=O)c2cc([O-])cs2)c1 ZINC000732354816 572461268 /nfs/dbraw/zinc/46/12/68/572461268.db2.gz SCXJQIUHXGAEFT-UHFFFAOYSA-N -1 3 292.356 3.252 20 10 CGCDHM [O-]c1cccc(Cl)c1CN[C@H](CCO)c1cccs1 ZINC000740900447 572467799 /nfs/dbraw/zinc/46/77/99/572467799.db2.gz PXJMMSOYGYKPHL-GFCCVEGCSA-N -1 3 297.807 3.320 20 10 CGCDHM CN(C(=O)c1cc([O-])cs1)[C@@H]1CCc2ccccc2C1 ZINC000734016098 572624417 /nfs/dbraw/zinc/62/44/17/572624417.db2.gz JYNATTIXAPAMGB-CYBMUJFWSA-N -1 3 287.384 3.083 20 10 CGCDHM COc1cccc(F)c1[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000743711912 572680497 /nfs/dbraw/zinc/68/04/97/572680497.db2.gz FRONPCSUGSKXCY-QMMMGPOBSA-N -1 3 295.335 3.092 20 10 CGCDHM Cc1cc(Cl)cc(C[NH2+]C2CCC(C(=O)[O-])CC2)c1[O-] ZINC000820976874 598193481 /nfs/dbraw/zinc/19/34/81/598193481.db2.gz URLJUQRYZRIZCA-UHFFFAOYSA-N -1 3 297.782 3.087 20 10 CGCDHM C[C@@H](NCc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000309820173 618770230 /nfs/dbraw/zinc/77/02/30/618770230.db2.gz WCNYLWWFQLNZOY-ZCFIWIBFSA-N -1 3 253.651 3.086 20 10 CGCDHM Cc1cccc(CN(C)Cc2cc(F)cc(F)c2[O-])n1 ZINC000894049349 619358637 /nfs/dbraw/zinc/35/86/37/619358637.db2.gz HOPKCDOJQYZQLR-UHFFFAOYSA-N -1 3 278.302 3.006 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CC(c2ccccc2)C1 ZINC000895418302 619823958 /nfs/dbraw/zinc/82/39/58/619823958.db2.gz LLHWFAMOXYVSIO-UHFFFAOYSA-N -1 3 275.298 3.270 20 10 CGCDHM CCC(C)(C)c1nnc(NCc2c([O-])cccc2F)o1 ZINC000895832122 619894241 /nfs/dbraw/zinc/89/42/41/619894241.db2.gz BDJTYUGQDJWFEY-UHFFFAOYSA-N -1 3 279.315 3.214 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)C1CCC2(CC2)CC1 ZINC000928710114 620208294 /nfs/dbraw/zinc/20/82/94/620208294.db2.gz GWNGZQMGXQGKHI-UHFFFAOYSA-N -1 3 277.339 3.118 20 10 CGCDHM CCc1onc(C)c1CNCc1cc(Cl)cc(F)c1[O-] ZINC000897337150 620211285 /nfs/dbraw/zinc/21/12/85/620211285.db2.gz JNZFYZXGGZMOEZ-UHFFFAOYSA-N -1 3 298.745 3.333 20 10 CGCDHM CCc1onc(C)c1CNCc1cc(Cl)c(F)cc1[O-] ZINC000897337246 620211578 /nfs/dbraw/zinc/21/15/78/620211578.db2.gz XTWBUNILPHSACI-UHFFFAOYSA-N -1 3 298.745 3.333 20 10 CGCDHM CCCN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000186858405 626077816 /nfs/dbraw/zinc/07/78/16/626077816.db2.gz ORFDWJJETLMTDF-UHFFFAOYSA-N -1 3 285.343 3.150 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC2(CC(F)C2)C1 ZINC000839139010 626322406 /nfs/dbraw/zinc/32/24/06/626322406.db2.gz AQYNQVJWRGXXBA-UHFFFAOYSA-N -1 3 273.710 3.119 20 10 CGCDHM C[C@@H](NCc1cn2ccccc2n1)c1ccc(F)cc1[O-] ZINC000756361100 626696371 /nfs/dbraw/zinc/69/63/71/626696371.db2.gz FSIWMMRKRATSLX-LLVKDONJSA-N -1 3 285.322 3.030 20 10 CGCDHM CC(C)c1cc(CN[C@@H](C)c2ccc(F)cc2[O-])on1 ZINC000756571673 626716136 /nfs/dbraw/zinc/71/61/36/626716136.db2.gz IQUOYBISZISXSI-JTQLQIEISA-N -1 3 278.327 3.494 20 10 CGCDHM C[C@@H](NCc1nn(C)c2ccccc12)c1ccc(F)cc1[O-] ZINC000760897416 627000722 /nfs/dbraw/zinc/00/07/22/627000722.db2.gz LDCKKWYBLXPLPO-LLVKDONJSA-N -1 3 299.349 3.269 20 10 CGCDHM C[C@H](NCc1nn(C)c2ccccc12)c1ccc(F)cc1[O-] ZINC000760897418 627000799 /nfs/dbraw/zinc/00/07/99/627000799.db2.gz LDCKKWYBLXPLPO-NSHDSACASA-N -1 3 299.349 3.269 20 10 CGCDHM Cc1ccc(C(=O)Nc2cccc(Cl)c2)c([O-])c1O ZINC000770466344 627620057 /nfs/dbraw/zinc/62/00/57/627620057.db2.gz QSNVHMQZTRNJOM-UHFFFAOYSA-N -1 3 277.707 3.312 20 10 CGCDHM COC1(C)CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000779597771 628417488 /nfs/dbraw/zinc/41/74/88/628417488.db2.gz GHSANPDILWJHKI-UHFFFAOYSA-N -1 3 287.762 3.186 20 10 CGCDHM CON(Cc1c([O-])ccc2ccncc21)CC(C)(C)C ZINC000789514573 629141411 /nfs/dbraw/zinc/14/14/11/629141411.db2.gz FZJCDHLSYWDXOP-UHFFFAOYSA-N -1 3 274.364 3.350 20 10 CGCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(C)cc1 ZINC000790465574 629212363 /nfs/dbraw/zinc/21/23/63/629212363.db2.gz YJZVRXOXHDSQBW-CQSZACIVSA-N -1 3 285.343 3.287 20 10 CGCDHM CO[C@]1(C)CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000793216861 629429425 /nfs/dbraw/zinc/42/94/25/629429425.db2.gz JSNZXVGSOWMTTI-CQSZACIVSA-N -1 3 287.762 3.186 20 10 CGCDHM CN(Cc1ccncc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816568812 632015116 /nfs/dbraw/zinc/01/51/16/632015116.db2.gz QWGOIOIQFVLTGR-UHFFFAOYSA-N -1 3 280.730 3.212 20 10 CGCDHM Cc1noc([C@H](C)NCc2ccc3ccccc3c2[O-])n1 ZINC000816590106 632019461 /nfs/dbraw/zinc/01/94/61/632019461.db2.gz RJLSHSORYQRLAE-JTQLQIEISA-N -1 3 283.331 3.088 20 10 CGCDHM CCn1ccnc1[C@@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000825005492 633316621 /nfs/dbraw/zinc/31/66/21/633316621.db2.gz MNCRJPHRARGADN-SECBINFHSA-N -1 3 297.761 3.252 20 10 CGCDHM C[C@@H]1C[C@H](NCc2cc(Cl)c(F)cc2[O-])c2nccn21 ZINC000825017700 633318531 /nfs/dbraw/zinc/31/85/31/633318531.db2.gz XOQVEXOETHSHIR-PELKAZGASA-N -1 3 295.745 3.177 20 10 CGCDHM Cc1cc([O-])c(CN[C@H](C)C(=O)OC(C)(C)C)cc1Cl ZINC000825436021 633354102 /nfs/dbraw/zinc/35/41/02/633354102.db2.gz NIEHXDWLIITVOV-SNVBAGLBSA-N -1 3 299.798 3.174 20 10 CGCDHM Cc1cc([O-])c(CN[C@H](C)c2csnn2)cc1Cl ZINC000826123067 633407272 /nfs/dbraw/zinc/40/72/72/633407272.db2.gz FPSWQXJWUALCBR-MRVPVSSYSA-N -1 3 283.784 3.056 20 10 CGCDHM CC[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1ccc(F)cc1[O-] ZINC000834894292 634271801 /nfs/dbraw/zinc/27/18/01/634271801.db2.gz KBQPACIWZVGDLZ-BPNCWPANSA-N -1 3 289.354 3.475 20 10 CGCDHM C[C@H](c1cccnc1)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000877317283 635024668 /nfs/dbraw/zinc/02/46/68/635024668.db2.gz IBPVCPCXGCUOLJ-SNVBAGLBSA-N -1 3 278.302 3.258 20 10 CGCDHM CC[C@@H](N[C@@H](C)c1ccn(C)n1)c1ccc(F)cc1[O-] ZINC000840816672 635057941 /nfs/dbraw/zinc/05/79/41/635057941.db2.gz XHPHARVPFZFABH-GXFFZTMASA-N -1 3 277.343 3.067 20 10 CGCDHM Cc1cc([O-])c(CN(C)Cc2nccs2)c(Cl)c1 ZINC000840917778 635082837 /nfs/dbraw/zinc/08/28/37/635082837.db2.gz MOHUZJSCJIEJDG-UHFFFAOYSA-N -1 3 282.796 3.443 20 10 CGCDHM C[C@H](C[N@H+](C)Cc1cc(-c2ccccc2)ccc1[O-])C(=O)[O-] ZINC000840999171 635102148 /nfs/dbraw/zinc/10/21/48/635102148.db2.gz OYWWSLPLZNDEHR-CYBMUJFWSA-N -1 3 299.370 3.212 20 10 CGCDHM C[C@H](C[N@@H+](C)Cc1cc(-c2ccccc2)ccc1[O-])C(=O)[O-] ZINC000840999171 635102150 /nfs/dbraw/zinc/10/21/50/635102150.db2.gz OYWWSLPLZNDEHR-CYBMUJFWSA-N -1 3 299.370 3.212 20 10 CGCDHM COCC1(C2CC2)CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000877686326 635146403 /nfs/dbraw/zinc/14/64/03/635146403.db2.gz NSNBERUGWHWBTJ-UHFFFAOYSA-N -1 3 299.773 3.043 20 10 CGCDHM CC[C@H](NCc1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000842771213 635466792 /nfs/dbraw/zinc/46/67/92/635466792.db2.gz ISCUSVPJCWEFTB-LBPRGKRZSA-N -1 3 299.798 3.256 20 10 CGCDHM C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1c([O-])cccc1F ZINC000886547283 637573368 /nfs/dbraw/zinc/57/33/68/637573368.db2.gz IMWMFDXNLYQMAU-YGRLFVJLSA-N -1 3 293.313 3.055 20 10 CGCDHM Cc1nccnc1[C@@H](C)N[C@H](C)c1c([O-])cccc1F ZINC000886650638 637629712 /nfs/dbraw/zinc/62/97/12/637629712.db2.gz ZZFUVRDFGABYLE-MWLCHTKSSA-N -1 3 275.327 3.042 20 10 CGCDHM CC(C)(C(=O)NCc1c([O-])cccc1F)C1CCCC1 ZINC000928705251 638889187 /nfs/dbraw/zinc/88/91/87/638889187.db2.gz IJJWJEXIZNFLNL-UHFFFAOYSA-N -1 3 279.355 3.364 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCC=CCCC1 ZINC000928709927 638889747 /nfs/dbraw/zinc/88/97/47/638889747.db2.gz OAEKKWWYHXCTCQ-GFCCVEGCSA-N -1 3 277.339 3.284 20 10 CGCDHM C/C(=C\C(=O)NCc1c([O-])cccc1F)c1cccs1 ZINC001156170279 805661752 /nfs/dbraw/zinc/66/17/52/805661752.db2.gz JSIBLZDHOGLOEW-CSKARUKUSA-N -1 3 291.347 3.313 20 10 CGCDHM CC(C)=C[C@H]1[C@@H](C(=O)NCc2c([O-])cccc2F)C1(C)C ZINC001156170730 805662110 /nfs/dbraw/zinc/66/21/10/805662110.db2.gz SWOQMYLZZPNXIJ-WFASDCNBSA-N -1 3 291.366 3.386 20 10 CGCDHM Cc1cccc(-c2noc(-c3cccc(O)c3[O-])n2)c1C ZINC000405095503 799581314 /nfs/dbraw/zinc/58/13/14/799581314.db2.gz XCVKDCSJKJPPMP-UHFFFAOYSA-N -1 3 282.299 3.432 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC(C(F)(F)F)CC1 ZINC000708383530 799987536 /nfs/dbraw/zinc/98/75/36/799987536.db2.gz MDBBHRYLRLAGIT-UHFFFAOYSA-N -1 3 295.251 3.445 20 10 CGCDHM O=C1CCN(Cc2c([O-])cccc2Cl)[C@@H]2CCCC[C@@H]12 ZINC001140337908 804417717 /nfs/dbraw/zinc/41/77/17/804417717.db2.gz MHVBGUDKYYMHPE-BXUZGUMPSA-N -1 3 293.794 3.379 20 10 CGCDHM C[C@@]1(F)CCN(Cc2ccc(Cl)cc2[O-])C[C@H]1F ZINC001140462519 804441083 /nfs/dbraw/zinc/44/10/83/804441083.db2.gz IBMHYWRAPUNXTJ-CHWSQXEVSA-N -1 3 275.726 3.318 20 10 CGCDHM Cc1cc(C)c(NC(=O)c2cccc(O)c2[O-])cc1C ZINC001148218695 805167755 /nfs/dbraw/zinc/16/77/55/805167755.db2.gz HJEKRBFWPJVRII-UHFFFAOYSA-N -1 3 271.316 3.275 20 10 CGCDHM C[C@@H](c1ccco1)N(C)Cc1cc(F)c(F)cc1[O-] ZINC001180392247 809997745 /nfs/dbraw/zinc/99/77/45/809997745.db2.gz CFXCJDOETQWDAB-VIFPVBQESA-N -1 3 267.275 3.456 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC(CC2CC2)C1 ZINC001183053620 810135482 /nfs/dbraw/zinc/13/54/82/810135482.db2.gz PQUYEBOFRSSWOV-UHFFFAOYSA-N -1 3 269.747 3.417 20 10 CGCDHM CC(C)OC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001193502889 810899484 /nfs/dbraw/zinc/89/94/84/810899484.db2.gz GIGQXRVIUJRBCP-UHFFFAOYSA-N -1 3 294.738 3.228 20 10 CGCDHM CCCCOC1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203657145 812418410 /nfs/dbraw/zinc/41/84/10/812418410.db2.gz GHBCZTQVTDZIDJ-UHFFFAOYSA-N -1 3 269.772 3.047 20 10 CGCDHM C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454134 818102236 /nfs/dbraw/zinc/10/22/36/818102236.db2.gz OCOTVGTVBIDMTM-LBPRGKRZSA-N -1 3 297.354 3.037 20 10 CGCDHM C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454134 818102240 /nfs/dbraw/zinc/10/22/40/818102240.db2.gz OCOTVGTVBIDMTM-LBPRGKRZSA-N -1 3 297.354 3.037 20 10 CGCDHM Cc1cc([O-])c(CN2C[C@@H](F)C[C@H]2CF)cc1Cl ZINC001231868444 818192529 /nfs/dbraw/zinc/19/25/29/818192529.db2.gz VADUOHADHCUCKG-QWRGUYRKSA-N -1 3 275.726 3.236 20 10 CGCDHM [O-]c1c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cccc1C(F)(F)F ZINC001233416450 818615399 /nfs/dbraw/zinc/61/53/99/818615399.db2.gz IKAWALSICTUHCO-NHCYSSNCSA-N -1 3 289.272 3.201 20 10 CGCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CC(F)(C2CC2)C1 ZINC001233452121 818623830 /nfs/dbraw/zinc/62/38/30/818623830.db2.gz LKDPYQXAZPPSLO-UHFFFAOYSA-N -1 3 289.272 3.345 20 10 CGCDHM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)CCCO1 ZINC001237077833 819659644 /nfs/dbraw/zinc/65/96/44/819659644.db2.gz KSATZVJLLCEBOQ-VIFPVBQESA-N -1 3 290.190 3.310 20 10 CGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCCC[C@@H]1CO ZINC001237077486 819660124 /nfs/dbraw/zinc/66/01/24/819660124.db2.gz ICXBPUDCJKQUDV-SECBINFHSA-N -1 3 290.190 3.046 20 10 CGCDHM CCCO[C@@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237803329 819844673 /nfs/dbraw/zinc/84/46/73/819844673.db2.gz SLTIKTWAVCUUEO-GFCCVEGCSA-N -1 3 287.762 3.186 20 10 CGCDHM CC1(C)CN(Cc2cc(F)c(F)cc2[O-])[C@@H]1C1CC1 ZINC001474560908 937206406 /nfs/dbraw/zinc/20/64/06/937206406.db2.gz LKYNUQTWXFJVOH-CQSZACIVSA-N -1 3 267.319 3.291 20 10 CGCDHM Cc1ccc(C(=O)NCc2c([O-])cccc2F)cc1Cl ZINC001456031556 937424729 /nfs/dbraw/zinc/42/47/29/937424729.db2.gz YEMBTONTFDQASL-UHFFFAOYSA-N -1 3 293.725 3.423 20 10 CGCDHM CCCCCCO[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC001303876107 932835852 /nfs/dbraw/zinc/83/58/52/932835852.db2.gz VCXYNPHVHVXZQV-GFCCVEGCSA-N -1 3 297.370 3.133 20 10 CGCDHM O=C(CCCc1ccccc1)NCc1c([O-])cccc1F ZINC001303877765 932835902 /nfs/dbraw/zinc/83/59/02/932835902.db2.gz GKXVICFQQNMMDF-UHFFFAOYSA-N -1 3 287.334 3.170 20 10 CGCDHM C/C(=C\C(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001558454221 938215511 /nfs/dbraw/zinc/21/55/11/938215511.db2.gz BVYMQLVGVHHUNX-ZRDIBKRKSA-N -1 3 285.318 3.251 20 10 CGCDHM Cc1cc([O-])c(CN2CCOC(C)(C)[C@H]2C)cc1Cl ZINC001560688049 938270154 /nfs/dbraw/zinc/27/01/54/938270154.db2.gz WLXFQCUIOHATEH-LLVKDONJSA-N -1 3 283.799 3.353 20 10 CGCDHM Cc1cc([O-])c(CN2CCO[C@@H](C(C)C)C2)c(Cl)c1 ZINC001560708042 938271469 /nfs/dbraw/zinc/27/14/69/938271469.db2.gz AILIAFISLNFZNY-OAHLLOKOSA-N -1 3 283.799 3.211 20 10 CGCDHM CC[C@@H]1CO[C@@H](CC)CN1Cc1cc(F)c(F)cc1[O-] ZINC001560919662 938284014 /nfs/dbraw/zinc/28/40/14/938284014.db2.gz KGLONKBCVYABGB-NEPJUHHUSA-N -1 3 285.334 3.060 20 10 CGCDHM CCCCCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001595712051 960539350 /nfs/dbraw/zinc/53/93/50/960539350.db2.gz GLRKWDZRDWOYCU-NSHDSACASA-N -1 3 265.353 3.321 20 10 CGCDHM CCc1noc(C)c1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000293636818 372430657 /nfs/dbraw/zinc/43/06/57/372430657.db2.gz GVGSKCRPTRDPOJ-VIFPVBQESA-N -1 3 278.327 3.241 20 10 CGCDHM CN(Cc1cccc(Cl)c1[O-])[C@H](CO)c1ccccc1 ZINC000295062897 372690808 /nfs/dbraw/zinc/69/08/08/372690808.db2.gz OOIGFCSWVBYPFP-OAHLLOKOSA-N -1 3 291.778 3.211 20 10 CGCDHM CN(Cc1c([O-])cccc1Cl)[C@@H](CO)c1ccccc1 ZINC000295097444 372691598 /nfs/dbraw/zinc/69/15/98/372691598.db2.gz SGKQKBDVALZXOM-HNNXBMFYSA-N -1 3 291.778 3.211 20 10 CGCDHM C[C@H](CC(=O)NCc1cc(Cl)ccc1[O-])c1ccco1 ZINC000529511706 375927190 /nfs/dbraw/zinc/92/71/90/375927190.db2.gz KJGCMTSJXYLUTP-SNVBAGLBSA-N -1 3 293.750 3.449 20 10 CGCDHM CC(C)n1ccc(CNCc2c([O-])cccc2Cl)n1 ZINC000738441044 572376434 /nfs/dbraw/zinc/37/64/34/572376434.db2.gz ZUBDVMOBEXFIPC-UHFFFAOYSA-N -1 3 279.771 3.113 20 10 CGCDHM Cc1ccc(C(=O)N2C[C@H](C)[C@H]2c2ccccc2)c([O-])c1O ZINC000179525197 392702345 /nfs/dbraw/zinc/70/23/45/392702345.db2.gz ULYPMOXAUXGEAU-WFASDCNBSA-N -1 3 297.354 3.239 20 10 CGCDHM Cn1cccc1[C@@H]1CCCN1Cc1cccc(F)c1[O-] ZINC000272273981 263003061 /nfs/dbraw/zinc/00/30/61/263003061.db2.gz LUKGSCJPQLMBPF-HNNXBMFYSA-N -1 3 274.339 3.207 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@H]1c1ccco1 ZINC000369773549 267265418 /nfs/dbraw/zinc/26/54/18/267265418.db2.gz QAIGEAHPPIXJAW-ZDUSSCGKSA-N -1 3 293.750 3.212 20 10 CGCDHM CC[C@H](N[C@H](C)c1nnc(C)s1)c1ccccc1[O-] ZINC000274793723 328010927 /nfs/dbraw/zinc/01/09/27/328010927.db2.gz SOXBSBKMEYFEHX-SKDRFNHKSA-N -1 3 277.393 3.354 20 10 CGCDHM [O-]c1ccccc1CN1CCc2c3ccccc3[nH]c2C1 ZINC000179581705 329210029 /nfs/dbraw/zinc/21/00/29/329210029.db2.gz HOSISSVXPXULSU-UHFFFAOYSA-N -1 3 278.355 3.432 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@]2(CC=CCC2)C1 ZINC000185659067 329328607 /nfs/dbraw/zinc/32/86/07/329328607.db2.gz AIJZITNUSOLRFR-QGZVFWFLSA-N -1 3 287.359 3.060 20 10 CGCDHM [O-]c1c(F)cccc1CN(Cc1cccnc1)C1CC1 ZINC000290471202 526328990 /nfs/dbraw/zinc/32/89/90/526328990.db2.gz NNBKRNZZHLSNBT-UHFFFAOYSA-N -1 3 272.323 3.091 20 10 CGCDHM CCOc1ccc(CN(C)C(=O)c2cc([O-])cs2)cc1 ZINC000731866433 572430083 /nfs/dbraw/zinc/43/00/83/572430083.db2.gz NPLNIDQXYRXNNU-UHFFFAOYSA-N -1 3 291.372 3.125 20 10 CGCDHM O=C(c1cc([O-])cs1)N(Cc1ccc(F)cc1)C1CC1 ZINC000731866457 572433522 /nfs/dbraw/zinc/43/35/22/572433522.db2.gz INRAOIPLIBELJC-UHFFFAOYSA-N -1 3 291.347 3.398 20 10 CGCDHM O=C(OCCCOc1ccccc1)c1cc([O-])cs1 ZINC000731909829 572435905 /nfs/dbraw/zinc/43/59/05/572435905.db2.gz LKPQOSSZHXMTFX-UHFFFAOYSA-N -1 3 278.329 3.080 20 10 CGCDHM COc1cccc([O-])c1CNCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000725847286 572439766 /nfs/dbraw/zinc/43/97/66/572439766.db2.gz YMKYLSHFYOWSOU-WCQYABFASA-N -1 3 287.359 3.407 20 10 CGCDHM CCN(Cc1ccc(OC)cc1)C(=O)c1cc([O-])cs1 ZINC000732268614 572455883 /nfs/dbraw/zinc/45/58/83/572455883.db2.gz KUKPOGSSOAKSIV-UHFFFAOYSA-N -1 3 291.372 3.125 20 10 CGCDHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2cc([O-])cs2)o1 ZINC000732273857 572456997 /nfs/dbraw/zinc/45/69/97/572456997.db2.gz DRXWOIKWODFZDG-KWQFWETISA-N -1 3 277.345 3.100 20 10 CGCDHM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc([O-])cs1 ZINC000732275668 572457392 /nfs/dbraw/zinc/45/73/92/572457392.db2.gz GXBWRMKEGRHZDJ-CYBMUJFWSA-N -1 3 273.357 3.179 20 10 CGCDHM CN1CCCc2cc(NC(=O)c3cc([O-])cs3)ccc21 ZINC000732291076 572459147 /nfs/dbraw/zinc/45/91/47/572459147.db2.gz OTLLISOSVJXYHO-UHFFFAOYSA-N -1 3 288.372 3.088 20 10 CGCDHM O=C(OCCOC1CCCCCC1)c1cc([O-])cs1 ZINC000740960326 572472024 /nfs/dbraw/zinc/47/20/24/572472024.db2.gz VUDWVGBDLPUAIP-UHFFFAOYSA-N -1 3 284.377 3.350 20 10 CGCDHM O=C(OCc1ccc2c(c1)CCC2)c1cc([O-])cs1 ZINC000734587417 572668766 /nfs/dbraw/zinc/66/87/66/572668766.db2.gz RLYMRBISYYVTHK-UHFFFAOYSA-N -1 3 274.341 3.299 20 10 CGCDHM CC1(C)CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000743553422 572670814 /nfs/dbraw/zinc/67/08/14/572670814.db2.gz KWPSPRAEBIDYJV-UHFFFAOYSA-N -1 3 253.367 3.152 20 10 CGCDHM Cc1cccnc1[C@@H](NC(=O)c1cc([O-])cs1)C(C)C ZINC000743588579 572672798 /nfs/dbraw/zinc/67/27/98/572672798.db2.gz DATFNFWNTMGPPV-ZDUSSCGKSA-N -1 3 290.388 3.284 20 10 CGCDHM O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cc([O-])cs1 ZINC000743712525 572680149 /nfs/dbraw/zinc/68/01/49/572680149.db2.gz ROVKWOZMFIJRAQ-HBNTYKKESA-N -1 3 265.378 3.152 20 10 CGCDHM CCC[N@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1[O-] ZINC000737020164 572839999 /nfs/dbraw/zinc/83/99/99/572839999.db2.gz SDRBIFYWCXITID-UHFFFAOYSA-N -1 3 289.331 3.096 20 10 CGCDHM CCC[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1[O-] ZINC000737020164 572840000 /nfs/dbraw/zinc/84/00/00/572840000.db2.gz SDRBIFYWCXITID-UHFFFAOYSA-N -1 3 289.331 3.096 20 10 CGCDHM C[C@H]1CCC[C@H](C)C1NC(=O)c1cc([O-])cs1 ZINC000748419864 572976420 /nfs/dbraw/zinc/97/64/20/572976420.db2.gz RPTAZWVUDJWEKD-IUCAKERBSA-N -1 3 253.367 3.008 20 10 CGCDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)[C@H]2CCCC[C@@H]12 ZINC000749542453 573018888 /nfs/dbraw/zinc/01/88/88/573018888.db2.gz HIZAESPBPLGXRZ-WXHSDQCUSA-N -1 3 279.405 3.495 20 10 CGCDHM C/C(=C\C[N@H+](Cc1ccccc1[O-])C1CCCC1)C(=O)[O-] ZINC000825729818 601166669 /nfs/dbraw/zinc/16/66/69/601166669.db2.gz NCGUUXGFJVYNOC-JLHYYAGUSA-N -1 3 289.375 3.168 20 10 CGCDHM C/C(=C\C[N@@H+](Cc1ccccc1[O-])C1CCCC1)C(=O)[O-] ZINC000825729818 601166670 /nfs/dbraw/zinc/16/66/70/601166670.db2.gz NCGUUXGFJVYNOC-JLHYYAGUSA-N -1 3 289.375 3.168 20 10 CGCDHM C[C@@H]1c2cccn2CCN1Cc1cc(Cl)ccc1[O-] ZINC000179565959 618795898 /nfs/dbraw/zinc/79/58/98/618795898.db2.gz JNRGXCATVXUERW-LLVKDONJSA-N -1 3 276.767 3.424 20 10 CGCDHM CCN(Cc1ccoc1)Cc1cc(F)cc(F)c1[O-] ZINC000893993678 619345626 /nfs/dbraw/zinc/34/56/26/619345626.db2.gz SKQWWSFNOPVGMS-UHFFFAOYSA-N -1 3 267.275 3.286 20 10 CGCDHM C[C@@H](c1ccncc1)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000894448874 619541818 /nfs/dbraw/zinc/54/18/18/619541818.db2.gz KWYWPHYUQBDSHY-JTQLQIEISA-N -1 3 278.302 3.258 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@H]1c1cccnc1 ZINC000894762315 619629091 /nfs/dbraw/zinc/62/90/91/619629091.db2.gz VRWXJUGAVGWRRL-HNNXBMFYSA-N -1 3 290.313 3.403 20 10 CGCDHM Cc1cc([O-])c(CN2CC[C@@H]2C(F)F)c(Cl)c1 ZINC000895431614 619825500 /nfs/dbraw/zinc/82/55/00/619825500.db2.gz NQMQYKBXRMOWAH-SNVBAGLBSA-N -1 3 261.699 3.193 20 10 CGCDHM [O-]c1ccc(F)cc1CN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000896423491 620006970 /nfs/dbraw/zinc/00/69/70/620006970.db2.gz SHLYDGFZJLCDHQ-XJKSGUPXSA-N -1 3 291.297 3.093 20 10 CGCDHM CC(C)n1ccnc1CNCc1cccc(Cl)c1[O-] ZINC000898215981 620488946 /nfs/dbraw/zinc/48/89/46/620488946.db2.gz SLVHLHPTAHYJRZ-UHFFFAOYSA-N -1 3 279.771 3.113 20 10 CGCDHM Cc1csc(CN[C@H](C)c2cc(F)cc(F)c2[O-])n1 ZINC000756383296 626699316 /nfs/dbraw/zinc/69/93/16/626699316.db2.gz XJPVVRCMTWXWGY-MRVPVSSYSA-N -1 3 284.331 3.286 20 10 CGCDHM CC(C)n1ccc(CN[C@H](C)c2ccc(F)cc2[O-])n1 ZINC000756593453 626719343 /nfs/dbraw/zinc/71/93/43/626719343.db2.gz KCIOTFWGVPGWGL-LLVKDONJSA-N -1 3 277.343 3.160 20 10 CGCDHM CC[C@@H](NCc1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000763501477 627161223 /nfs/dbraw/zinc/16/12/23/627161223.db2.gz ISCUSVPJCWEFTB-GFCCVEGCSA-N -1 3 299.798 3.256 20 10 CGCDHM C[C@H](N[C@@H](CCO)c1ccco1)c1cc(F)cc(F)c1[O-] ZINC000769418532 627550327 /nfs/dbraw/zinc/55/03/27/627550327.db2.gz RZWSWLZWTWWKQB-ZANVPECISA-N -1 3 297.301 3.038 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1ccc(F)cn1 ZINC000777512976 628277341 /nfs/dbraw/zinc/27/73/41/628277341.db2.gz UJXDWEMBKVKBDD-UHFFFAOYSA-N -1 3 252.676 3.192 20 10 CGCDHM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1cccc(O)c1[O-] ZINC000790486689 629212885 /nfs/dbraw/zinc/21/28/85/629212885.db2.gz YVALBJFKUHZSPI-RWMBFGLXSA-N -1 3 289.375 3.187 20 10 CGCDHM Cc1ccccc1CN(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000790528208 629216171 /nfs/dbraw/zinc/21/61/71/629216171.db2.gz NQBLIOLUFGVFSR-UHFFFAOYSA-N -1 3 297.354 3.211 20 10 CGCDHM O=C(N[C@H](CC1CC1)c1ccccc1)c1cccc(O)c1[O-] ZINC000790796053 629231247 /nfs/dbraw/zinc/23/12/47/629231247.db2.gz PLFJPABESMDRDZ-OAHLLOKOSA-N -1 3 297.354 3.369 20 10 CGCDHM C[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ccccn1 ZINC000816528770 632003973 /nfs/dbraw/zinc/00/39/73/632003973.db2.gz QZISGWUCUBCMCY-SECBINFHSA-N -1 3 280.730 3.431 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@@H]1CC1CCC1 ZINC000816667066 632041549 /nfs/dbraw/zinc/04/15/49/632041549.db2.gz BWFGBTXQQQPKCP-HNNXBMFYSA-N -1 3 295.810 3.437 20 10 CGCDHM CCn1cc([C@@H](C)NCc2c([O-])ccc(Cl)c2F)cn1 ZINC000825130160 633331827 /nfs/dbraw/zinc/33/18/27/633331827.db2.gz OHNZOOKALRHVEF-SECBINFHSA-N -1 3 297.761 3.252 20 10 CGCDHM CC1(C)CN(Cc2c([O-])ccc(Cl)c2F)[C@@H]2COC[C@@H]21 ZINC000825332301 633347326 /nfs/dbraw/zinc/34/73/26/633347326.db2.gz VIPRSYNDQHKYLN-CMPLNLGQSA-N -1 3 299.773 3.042 20 10 CGCDHM CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(F)ccc1[O-] ZINC000846119067 636147339 /nfs/dbraw/zinc/14/73/39/636147339.db2.gz WSAIIDGCDDUWIM-ZDUSSCGKSA-N -1 3 297.370 3.083 20 10 CGCDHM CC(C)(C)CC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000126350260 634985603 /nfs/dbraw/zinc/98/56/03/634985603.db2.gz QSVLILSFCZVRCM-UHFFFAOYSA-N -1 3 265.353 3.042 20 10 CGCDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000136488317 637385561 /nfs/dbraw/zinc/38/55/61/637385561.db2.gz AFJYGJNUABSAQS-UHFFFAOYSA-N -1 3 291.372 3.064 20 10 CGCDHM CCc1nn(C)cc1N[C@@H](C)c1c([O-])cccc1F ZINC000886579192 637590562 /nfs/dbraw/zinc/59/05/62/637590562.db2.gz CGOYQBYSGWNWLB-VIFPVBQESA-N -1 3 263.316 3.000 20 10 CGCDHM C[C@@H](N[C@H]1COCc2ccccc21)c1c([O-])cccc1F ZINC000886626706 637616613 /nfs/dbraw/zinc/61/66/13/637616613.db2.gz JCTRYJMQKYYCEG-ABAIWWIYSA-N -1 3 287.334 3.453 20 10 CGCDHM Cc1nccnc1[C@H](C)N[C@@H](C)c1c([O-])cccc1F ZINC000886650639 637630289 /nfs/dbraw/zinc/63/02/89/637630289.db2.gz ZZFUVRDFGABYLE-ONGXEEELSA-N -1 3 275.327 3.042 20 10 CGCDHM CC1(C)CCN(C(=O)c2cccc(O)c2[O-])CC(C)(C)C1 ZINC000855690986 638234631 /nfs/dbraw/zinc/23/46/31/638234631.db2.gz WNWDYTSVTOVYTI-UHFFFAOYSA-N -1 3 291.391 3.386 20 10 CGCDHM O=C(CCC1CCCC1)NCc1c([O-])cccc1F ZINC000928710461 638889826 /nfs/dbraw/zinc/88/98/26/638889826.db2.gz SOTWAJONMJQLRS-UHFFFAOYSA-N -1 3 265.328 3.118 20 10 CGCDHM CC(C)Oc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000188189455 640125012 /nfs/dbraw/zinc/12/50/12/640125012.db2.gz ODUJQDBUJSXRJL-UHFFFAOYSA-N -1 3 287.315 3.137 20 10 CGCDHM CC[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000092487145 640737191 /nfs/dbraw/zinc/73/71/91/640737191.db2.gz UPPGBMOENXYHHQ-GWCFXTLKSA-N -1 3 269.772 3.045 20 10 CGCDHM [O-]c1c(O)cccc1-c1nnc([C@@H]2C[C@@H]2c2ccccc2)o1 ZINC001254512920 806432718 /nfs/dbraw/zinc/43/27/18/806432718.db2.gz LXWJKVXDZSIPAD-CHWSQXEVSA-N -1 3 294.310 3.419 20 10 CGCDHM CCN(Cc1ccc(Br)cc1[O-])CC(F)F ZINC000691672823 799786656 /nfs/dbraw/zinc/78/66/56/799786656.db2.gz BEUVNIFKFRCUNV-UHFFFAOYSA-N -1 3 294.139 3.242 20 10 CGCDHM C[C@H]1N(Cc2cc(Cl)ccc2[O-])CCOC1(C)C ZINC000707700844 799978642 /nfs/dbraw/zinc/97/86/42/799978642.db2.gz PNENETKDIKJLHJ-SNVBAGLBSA-N -1 3 269.772 3.045 20 10 CGCDHM C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CC(C)(C)C1 ZINC000709391721 800008095 /nfs/dbraw/zinc/00/80/95/800008095.db2.gz IHRNXBHSTNNPGD-GHMZBOCLSA-N -1 3 277.364 3.042 20 10 CGCDHM [O-]c1cccc(F)c1CN1CCOC[C@@H]1C1CCCCC1 ZINC001137841693 803780019 /nfs/dbraw/zinc/78/00/19/803780019.db2.gz QGGFIRMSKHITHO-MRXNPFEDSA-N -1 3 293.382 3.312 20 10 CGCDHM [O-]c1cccc(F)c1CN1CCOC[C@H]1C1CCCCC1 ZINC001137841692 803781500 /nfs/dbraw/zinc/78/15/00/803781500.db2.gz QGGFIRMSKHITHO-INIZCTEOSA-N -1 3 293.382 3.312 20 10 CGCDHM C[C@@H]1C[C@@H](F)CN1Cc1c([O-])cccc1Br ZINC001140098747 804378102 /nfs/dbraw/zinc/37/81/02/804378102.db2.gz LCJCDWNUINJMTK-RKDXNWHRSA-N -1 3 288.160 3.087 20 10 CGCDHM CCN(Cc1ccccc1O)Cc1c(F)cc([O-])cc1F ZINC001144559955 805006139 /nfs/dbraw/zinc/00/61/39/805006139.db2.gz SPIMHOZEHJTXJQ-UHFFFAOYSA-N -1 3 293.313 3.398 20 10 CGCDHM CC(C)(C)c1cc([O-])c(CN2C[C@@H]3C[C@H]2CO3)cc1Cl ZINC001248883623 805032741 /nfs/dbraw/zinc/03/27/41/805032741.db2.gz MITPWGXPIXXJMY-RYUDHWBXSA-N -1 3 295.810 3.316 20 10 CGCDHM CC(C)(C)c1cc([O-])c(CN2CCO[C@H]3C[C@H]32)cc1Cl ZINC001248885302 805034325 /nfs/dbraw/zinc/03/43/25/805034325.db2.gz RCCFZGKJDWNUEA-HIFRSBDPSA-N -1 3 295.810 3.316 20 10 CGCDHM O=C(Nc1ccnc(Cl)c1Cl)c1cccc(O)c1[O-] ZINC001148212516 805167729 /nfs/dbraw/zinc/16/77/29/805167729.db2.gz AZQUQPLXHUJTNV-UHFFFAOYSA-N -1 3 299.113 3.052 20 10 CGCDHM O=C(Nc1ccccc1-c1cnco1)c1cccc(O)c1[O-] ZINC001148218905 805168196 /nfs/dbraw/zinc/16/81/96/805168196.db2.gz NILVVHTWGQZLEF-UHFFFAOYSA-N -1 3 296.282 3.005 20 10 CGCDHM CC1(CNC(=O)c2cccc(O)c2[O-])CCC(F)(F)CC1 ZINC001148224575 805169011 /nfs/dbraw/zinc/16/90/11/805169011.db2.gz PTJSPXQJWSQEMJ-UHFFFAOYSA-N -1 3 299.317 3.043 20 10 CGCDHM Cc1ccc(Cl)cc1C(=O)NCc1c([O-])cccc1F ZINC001178412999 809865008 /nfs/dbraw/zinc/86/50/08/809865008.db2.gz JZSZWYGRIPWESV-UHFFFAOYSA-N -1 3 293.725 3.423 20 10 CGCDHM C[C@H](c1ccco1)N(C)Cc1cc(F)c(F)cc1[O-] ZINC001180392246 809997852 /nfs/dbraw/zinc/99/78/52/809997852.db2.gz CFXCJDOETQWDAB-SECBINFHSA-N -1 3 267.275 3.456 20 10 CGCDHM Cc1ncccc1CNCc1c([O-])ccc(Cl)c1F ZINC001203320720 812310612 /nfs/dbraw/zinc/31/06/12/812310612.db2.gz MXXFTDMWKATYSC-UHFFFAOYSA-N -1 3 280.730 3.178 20 10 CGCDHM CN(Cc1cccc(F)c1)Cc1ccc(F)c(F)c1[O-] ZINC001233073855 818517314 /nfs/dbraw/zinc/51/73/14/818517314.db2.gz FRPKMJGYMCESCT-UHFFFAOYSA-N -1 3 281.277 3.442 20 10 CGCDHM [O-]c1c(CN2CCC(F)CC2)cccc1C(F)(F)F ZINC001233415622 818614039 /nfs/dbraw/zinc/61/40/39/818614039.db2.gz CQUFVURWQZDSAN-UHFFFAOYSA-N -1 3 277.261 3.345 20 10 CGCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CCC(F)(F)C1 ZINC001233451786 818623407 /nfs/dbraw/zinc/62/34/07/818623407.db2.gz ZGIMBTYLDVOKSM-UHFFFAOYSA-N -1 3 281.224 3.252 20 10 CGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCCC[C@@H](O)C1 ZINC001236792078 819594486 /nfs/dbraw/zinc/59/44/86/819594486.db2.gz BFSOBANPFGNHKE-SNVBAGLBSA-N -1 3 290.190 3.046 20 10 CGCDHM CCCO[C@@H]1CCN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236813137 819604911 /nfs/dbraw/zinc/60/49/11/819604911.db2.gz KAKQOSBWUUEDGR-GFCCVEGCSA-N -1 3 299.798 3.055 20 10 CGCDHM COC1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237078615 819662116 /nfs/dbraw/zinc/66/21/16/819662116.db2.gz VJMLWNHTDHBZSV-UHFFFAOYSA-N -1 3 290.190 3.310 20 10 CGCDHM CCCO[C@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237814534 819851064 /nfs/dbraw/zinc/85/10/64/819851064.db2.gz SLTIKTWAVCUUEO-LBPRGKRZSA-N -1 3 287.762 3.186 20 10 CGCDHM CC1(C)CCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC001228895871 932046651 /nfs/dbraw/zinc/04/66/51/932046651.db2.gz MZKFTPBZXMKPCU-NSHDSACASA-N -1 3 294.370 3.157 20 10 CGCDHM C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1cnccn1 ZINC001308802117 933178745 /nfs/dbraw/zinc/17/87/45/933178745.db2.gz MVVNUFIEWWUOSV-MRVPVSSYSA-N -1 3 298.173 3.340 20 10 CGCDHM [O-]c1c(F)cccc1CNc1cccc2nccnc21 ZINC001308912433 933201918 /nfs/dbraw/zinc/20/19/18/933201918.db2.gz PEANGLXRUUNVNF-UHFFFAOYSA-N -1 3 269.279 3.087 20 10 CGCDHM CCc1ccc(C(=O)NCc2c([O-])cccc2F)s1 ZINC001471974789 937771189 /nfs/dbraw/zinc/77/11/89/937771189.db2.gz KDUBNIYMYUIJJV-UHFFFAOYSA-N -1 3 279.336 3.085 20 10 CGCDHM Cc1scc(C(=O)NCc2c([O-])cccc2F)c1C ZINC001471975662 937771278 /nfs/dbraw/zinc/77/12/78/937771278.db2.gz CAPCVXGKLLFXNZ-UHFFFAOYSA-N -1 3 279.336 3.140 20 10 CGCDHM CC[C@@H]1CN(Cc2c([O-])cc(C)cc2Cl)C[C@H](C)O1 ZINC001474382459 937856299 /nfs/dbraw/zinc/85/62/99/937856299.db2.gz KFLHATMBQKDNJN-NWDGAFQWSA-N -1 3 283.799 3.353 20 10 CGCDHM CCN1CCN(Cc2cccc(F)c2[O-])c2ccccc21 ZINC001474430338 937859634 /nfs/dbraw/zinc/85/96/34/937859634.db2.gz ZREJKOABRBKPMP-UHFFFAOYSA-N -1 3 286.350 3.378 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H](CF)C1 ZINC001474684206 937874347 /nfs/dbraw/zinc/87/43/47/937874347.db2.gz HPDUQWVDGRRCPR-SECBINFHSA-N -1 3 275.726 3.366 20 10 CGCDHM C[C@H](CC1CCCC1)C(=O)NCc1c([O-])cccc1F ZINC001558454214 938215493 /nfs/dbraw/zinc/21/54/93/938215493.db2.gz BSNDQFBMAQBEKY-LLVKDONJSA-N -1 3 279.355 3.364 20 10 CGCDHM Cn1ncc(NCc2ccc(Cl)cc2[O-])c1C1CC1 ZINC001560958158 938286329 /nfs/dbraw/zinc/28/63/29/938286329.db2.gz OAUWITLILCRUNW-UHFFFAOYSA-N -1 3 277.755 3.269 20 10 CGCDHM COc1c(Cl)cccc1NC(=O)c1cccc(O)c1[O-] ZINC001583349124 962794307 /nfs/dbraw/zinc/79/43/07/962794307.db2.gz CMZNJMGWXMRBDG-UHFFFAOYSA-N -1 3 293.706 3.012 20 10 CGCDHM C[C@H]([NH2+][C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccccc1[O-] ZINC001589123181 963345208 /nfs/dbraw/zinc/34/52/08/963345208.db2.gz JRPABNKOEKHIPO-XZJROXQQSA-N -1 3 297.354 3.356 20 10 CGCDHM C[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1[O-] ZINC001589128430 963347602 /nfs/dbraw/zinc/34/76/02/963347602.db2.gz JLQFKDAZGNWDSA-JTQLQIEISA-N -1 3 289.306 3.080 20 10 CGCDHM CCCC[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])[C@@H](C)CC ZINC001595747636 982415049 /nfs/dbraw/zinc/41/50/49/982415049.db2.gz HFYTYTUTBDKQAR-BBRMVZONSA-N -1 3 293.407 3.494 20 10 CGCDHM CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])[C@@H](C)CC ZINC001595747636 982415058 /nfs/dbraw/zinc/41/50/58/982415058.db2.gz HFYTYTUTBDKQAR-BBRMVZONSA-N -1 3 293.407 3.494 20 10 CGCDHM CCC[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])[C@H](C)CC ZINC001595891612 982927715 /nfs/dbraw/zinc/92/77/15/982927715.db2.gz WJUQXVCCMIGEER-DOMZBBRYSA-N -1 3 279.380 3.104 20 10 CGCDHM CCC[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])[C@H](C)CC ZINC001595891612 982927719 /nfs/dbraw/zinc/92/77/19/982927719.db2.gz WJUQXVCCMIGEER-DOMZBBRYSA-N -1 3 279.380 3.104 20 10 CGCDHM C[C@H]([NH2+]C[C@H]1CC=CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593251869 994500118 /nfs/dbraw/zinc/50/01/18/994500118.db2.gz LJLJAZMIIMUXSK-RYUDHWBXSA-N -1 3 275.348 3.097 20 10 CGCDHM C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593251867 994500507 /nfs/dbraw/zinc/50/05/07/994500507.db2.gz LJLJAZMIIMUXSK-NEPJUHHUSA-N -1 3 275.348 3.097 20 10 CGCDHM C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593258304 994541675 /nfs/dbraw/zinc/54/16/75/994541675.db2.gz ZRZXSISVKJWRTD-SMDDNHRTSA-N -1 3 297.354 3.081 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000125315661 370934185 /nfs/dbraw/zinc/93/41/85/370934185.db2.gz OZBYODWTCSTCEK-ZDUSSCGKSA-N -1 3 291.782 3.496 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H](c2ccco2)C1 ZINC000093841456 370164795 /nfs/dbraw/zinc/16/47/95/370164795.db2.gz SZHFLTSGUIGKLV-OAHLLOKOSA-N -1 3 293.750 3.212 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC2(C1)CCOCC2 ZINC000293781181 372478664 /nfs/dbraw/zinc/47/86/64/372478664.db2.gz BAZGDYKQOLOCPS-UHFFFAOYSA-N -1 3 299.773 3.187 20 10 CGCDHM CC(C)c1ccc(C(=O)N(C)Cc2ccccc2O)c([O-])c1 ZINC000298777597 373407162 /nfs/dbraw/zinc/40/71/62/373407162.db2.gz GUWSKIURRZKZMX-UHFFFAOYSA-N -1 3 299.370 3.493 20 10 CGCDHM CCc1ccc([C@H](COC)NCc2cc(F)ccc2[O-])o1 ZINC000180743932 374041190 /nfs/dbraw/zinc/04/11/90/374041190.db2.gz WLUZAUQQYPEOQW-AWEZNQCLSA-N -1 3 293.338 3.164 20 10 CGCDHM CCc1nn(C)cc1N[C@H](CC)c1ccc(F)cc1[O-] ZINC000286318532 380194410 /nfs/dbraw/zinc/19/44/10/380194410.db2.gz XVLLRSHEFYTHOI-GFCCVEGCSA-N -1 3 277.343 3.390 20 10 CGCDHM CCc1ccc([C@@H](COC)NCc2ccccc2[O-])o1 ZINC000174480215 392642487 /nfs/dbraw/zinc/64/24/87/392642487.db2.gz VKNAFZOUGUWMGP-CQSZACIVSA-N -1 3 275.348 3.025 20 10 CGCDHM [O-]c1ccccc1CN1CCO[C@@H](c2cccc(F)c2)C1 ZINC000179568724 392704077 /nfs/dbraw/zinc/70/40/77/392704077.db2.gz LCRQRRHJVKZULJ-QGZVFWFLSA-N -1 3 287.334 3.105 20 10 CGCDHM CCc1cnc(CNCc2cccc(Cl)c2[O-])s1 ZINC000224888608 393011242 /nfs/dbraw/zinc/01/12/42/393011242.db2.gz OQVPSJLKMVHSCX-UHFFFAOYSA-N -1 3 282.796 3.354 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1C1CCCCC1 ZINC000186975026 262119309 /nfs/dbraw/zinc/11/93/09/262119309.db2.gz WQNFFIRLBZQBGI-CQSZACIVSA-N -1 3 289.375 3.283 20 10 CGCDHM Cc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000186982093 262119832 /nfs/dbraw/zinc/11/98/32/262119832.db2.gz SFCYUKRGCYJZDB-HNNXBMFYSA-N -1 3 297.354 3.384 20 10 CGCDHM CC[C@@H](N[C@H](C)c1nnc(C)s1)c1ccccc1[O-] ZINC000274793720 328010977 /nfs/dbraw/zinc/01/09/77/328010977.db2.gz SOXBSBKMEYFEHX-BXKDBHETSA-N -1 3 277.393 3.354 20 10 CGCDHM CCc1nn(C)cc1N[C@@H](C)c1cc(F)ccc1[O-] ZINC000230671489 333320638 /nfs/dbraw/zinc/32/06/38/333320638.db2.gz NELFVQBAAICRND-VIFPVBQESA-N -1 3 263.316 3.000 20 10 CGCDHM CCc1nc(C)c(CN[C@H](C)c2ccc(F)c(F)c2[O-])o1 ZINC000291857812 522208063 /nfs/dbraw/zinc/20/80/63/522208063.db2.gz HIDBWVXGOGUZIU-MRVPVSSYSA-N -1 3 296.317 3.380 20 10 CGCDHM COCC(C)(C)N(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000292128416 522811863 /nfs/dbraw/zinc/81/18/63/522811863.db2.gz IGHSKTBIUTZBJH-UHFFFAOYSA-N -1 3 299.798 3.105 20 10 CGCDHM CCN(CCc1cccs1)C(=O)c1cc([O-])cs1 ZINC000746682888 572891697 /nfs/dbraw/zinc/89/16/97/572891697.db2.gz WBEOHHNMEWFJBB-UHFFFAOYSA-N -1 3 281.402 3.220 20 10 CGCDHM O=C(Nc1cccc(Br)c1)c1cc([O-])cs1 ZINC000732263174 572455268 /nfs/dbraw/zinc/45/52/68/572455268.db2.gz KUGTWKKWZZRLGK-UHFFFAOYSA-N -1 3 298.161 3.469 20 10 CGCDHM O=C(c1cc([O-])cs1)N(Cc1ccccc1F)C1CC1 ZINC000731864367 572430188 /nfs/dbraw/zinc/43/01/88/572430188.db2.gz RYAFWTHITJRCFT-UHFFFAOYSA-N -1 3 291.347 3.398 20 10 CGCDHM O=C(NCC1(c2ccccc2)CCC1)c1cc([O-])cs1 ZINC000731867229 572433545 /nfs/dbraw/zinc/43/35/45/572433545.db2.gz OGYZIFRQMKGJRB-UHFFFAOYSA-N -1 3 287.384 3.305 20 10 CGCDHM Cc1cccc(C)c1OCCOC(=O)c1cc([O-])cs1 ZINC000731912592 572436303 /nfs/dbraw/zinc/43/63/03/572436303.db2.gz UJHOMRXUPACDQE-UHFFFAOYSA-N -1 3 292.356 3.306 20 10 CGCDHM Cc1ccccc1[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000732283522 572457953 /nfs/dbraw/zinc/45/79/53/572457953.db2.gz LYMVCXDYNOWDOG-GFCCVEGCSA-N -1 3 287.384 3.392 20 10 CGCDHM CN(CCC1CCCCC1)C(=O)c1cc([O-])cs1 ZINC000732281916 572458337 /nfs/dbraw/zinc/45/83/37/572458337.db2.gz GAHAKEXMKCUDIO-UHFFFAOYSA-N -1 3 267.394 3.496 20 10 CGCDHM O=C(N[C@@H]1CCCOc2ccccc21)c1cc([O-])cs1 ZINC000732281168 572458455 /nfs/dbraw/zinc/45/84/55/572458455.db2.gz QYQOTXTXADKEGC-GFCCVEGCSA-N -1 3 289.356 3.097 20 10 CGCDHM Cc1cc(C)cc(CCNC(=O)c2cc([O-])cs2)c1 ZINC000740936080 572469599 /nfs/dbraw/zinc/46/95/99/572469599.db2.gz FPWGQDXOVLKGJG-UHFFFAOYSA-N -1 3 275.373 3.043 20 10 CGCDHM CC[C@H](N[C@@H](C)c1csnn1)c1ccc(F)cc1[O-] ZINC000840886430 618888045 /nfs/dbraw/zinc/88/80/45/618888045.db2.gz VYHXABKGDKFLNH-KWQFWETISA-N -1 3 281.356 3.185 20 10 CGCDHM CC(C)CN(C(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000314926249 619239259 /nfs/dbraw/zinc/23/92/59/619239259.db2.gz LDCMMDOZGZNHSO-UHFFFAOYSA-N -1 3 285.343 3.401 20 10 CGCDHM Cc1ccc(CN(C)Cc2cc(F)cc(F)c2[O-])nc1 ZINC000894540706 619568725 /nfs/dbraw/zinc/56/87/25/619568725.db2.gz LTYRGYRHROUADP-UHFFFAOYSA-N -1 3 278.302 3.006 20 10 CGCDHM CN(Cc1ccns1)Cc1cc(Cl)ccc1[O-] ZINC000895454146 619831107 /nfs/dbraw/zinc/83/11/07/619831107.db2.gz VIZAAOLZGBAUIG-UHFFFAOYSA-N -1 3 268.769 3.134 20 10 CGCDHM CCc1csc(NCc2c([O-])cccc2F)n1 ZINC000895833138 619894270 /nfs/dbraw/zinc/89/42/70/619894270.db2.gz UPOVQEKOSNOBDL-UHFFFAOYSA-N -1 3 252.314 3.162 20 10 CGCDHM COc1cc(C)ccc1CNCc1c([O-])cccc1F ZINC000896639812 620041824 /nfs/dbraw/zinc/04/18/24/620041824.db2.gz XXJSUZPQBFZHQB-UHFFFAOYSA-N -1 3 275.323 3.138 20 10 CGCDHM Cc1nc(CN[C@H](C)c2ccc(F)cc2[O-])cs1 ZINC000062748077 623268132 /nfs/dbraw/zinc/26/81/32/623268132.db2.gz KNEWUXVBVBRILJ-MRVPVSSYSA-N -1 3 266.341 3.147 20 10 CGCDHM C/C(=C\c1ccccc1)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000757642293 626797040 /nfs/dbraw/zinc/79/70/40/626797040.db2.gz AQSVLMRCCJABCX-ACCUITESSA-N -1 3 297.354 3.273 20 10 CGCDHM COc1ccc(NCc2c([O-])cccc2Cl)c(C)n1 ZINC000772946538 627833767 /nfs/dbraw/zinc/83/37/67/627833767.db2.gz PCTZYYHIDBLDPQ-UHFFFAOYSA-N -1 3 278.739 3.370 20 10 CGCDHM CC[C@@H](NCc1nnc(C)s1)c1cc(Cl)ccc1[O-] ZINC000775546626 628105946 /nfs/dbraw/zinc/10/59/46/628105946.db2.gz KJZYFFKWXKYYPA-LLVKDONJSA-N -1 3 297.811 3.446 20 10 CGCDHM CC(C)[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000776332402 628194833 /nfs/dbraw/zinc/19/48/33/628194833.db2.gz DKCVIBFDZUIYQS-HNNXBMFYSA-N -1 3 299.370 3.267 20 10 CGCDHM Cc1ccc(C(=O)Nc2cccc3c2ccn3C)c([O-])c1O ZINC000780923540 628524721 /nfs/dbraw/zinc/52/47/21/628524721.db2.gz UDLCHRXGBPKNKZ-UHFFFAOYSA-N -1 3 296.326 3.150 20 10 CGCDHM CCC[C@@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000790642977 629222436 /nfs/dbraw/zinc/22/24/36/629222436.db2.gz KKHPVAJRJLPNTQ-AWEZNQCLSA-N -1 3 299.370 3.239 20 10 CGCDHM CC(C)C1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000790895828 629240288 /nfs/dbraw/zinc/24/02/88/629240288.db2.gz MSPIDWUZGMZCTP-UHFFFAOYSA-N -1 3 277.364 3.042 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cccc(F)n1 ZINC000790983159 629246536 /nfs/dbraw/zinc/24/65/36/629246536.db2.gz NQVXESDJGQNLCQ-UHFFFAOYSA-N -1 3 284.693 3.009 20 10 CGCDHM CO[C@@]1(C)CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000793217684 629429618 /nfs/dbraw/zinc/42/96/18/629429618.db2.gz MZWKJFNEECAOEG-AWEZNQCLSA-N -1 3 287.762 3.186 20 10 CGCDHM C[C@@H](Nc1cccc(-n2nccn2)c1)c1ccc(F)cc1[O-] ZINC000864024122 629730576 /nfs/dbraw/zinc/73/05/76/629730576.db2.gz VIJWXDNXPQXWFU-LLVKDONJSA-N -1 3 298.321 3.285 20 10 CGCDHM Cn1cnc2cc(NCc3c(F)ccc([O-])c3F)ccc21 ZINC000816563778 632012507 /nfs/dbraw/zinc/01/25/07/632012507.db2.gz JUSMCIWCADAFFW-UHFFFAOYSA-N -1 3 289.285 3.169 20 10 CGCDHM Cc1ccc(CN[C@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000866478968 633151727 /nfs/dbraw/zinc/15/17/27/633151727.db2.gz OKBBZJCGUQHDKS-SECBINFHSA-N -1 3 267.275 3.423 20 10 CGCDHM C[C@@]1(F)CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000824472127 633248772 /nfs/dbraw/zinc/24/87/72/633248772.db2.gz MDBIGVLUCYNDLN-CYBMUJFWSA-N -1 3 257.736 3.370 20 10 CGCDHM COC[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000825294633 633342197 /nfs/dbraw/zinc/34/21/97/633342197.db2.gz URSASZMJLCEXKX-LBPRGKRZSA-N -1 3 287.762 3.186 20 10 CGCDHM CCn1ccnc1[C@H](C)N[C@H](C)c1ccc(F)cc1[O-] ZINC000834897282 634273959 /nfs/dbraw/zinc/27/39/59/634273959.db2.gz ZNRCHWZKFYQEQG-MNOVXSKESA-N -1 3 277.343 3.160 20 10 CGCDHM Cc1cc([O-])c(CN[C@@H](C)C(=O)OC(C)(C)C)c(Cl)c1 ZINC000840927806 635083858 /nfs/dbraw/zinc/08/38/58/635083858.db2.gz DKIHQKPYBULGTB-JTQLQIEISA-N -1 3 299.798 3.174 20 10 CGCDHM Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c1[O-] ZINC000840997010 635100623 /nfs/dbraw/zinc/10/06/23/635100623.db2.gz GUXYAVLNNNZNIA-LLVKDONJSA-N -1 3 297.782 3.041 20 10 CGCDHM Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1[O-] ZINC000840997010 635100626 /nfs/dbraw/zinc/10/06/26/635100626.db2.gz GUXYAVLNNNZNIA-LLVKDONJSA-N -1 3 297.782 3.041 20 10 CGCDHM C[C@@H](N[C@@H](C)c1ccc(Cl)cc1[O-])c1csnn1 ZINC000841754758 635228864 /nfs/dbraw/zinc/22/88/64/635228864.db2.gz DCRHEDIWQYSQDF-JGVFFNPUSA-N -1 3 283.784 3.309 20 10 CGCDHM Cc1ccc2c(c1)[C@H](NCc1cc(F)cc(F)c1[O-])CO2 ZINC000883046964 636520127 /nfs/dbraw/zinc/52/01/27/636520127.db2.gz DOJJHVDZCDJROO-CQSZACIVSA-N -1 3 291.297 3.202 20 10 CGCDHM C[C@H](N[C@@H](C)c1c([O-])cccc1F)c1cncc(F)c1 ZINC000886588101 637595276 /nfs/dbraw/zinc/59/52/76/637595276.db2.gz LGGYRFRFDXZILN-UWVGGRQHSA-N -1 3 278.302 3.477 20 10 CGCDHM CCCc1ncc(CN[C@@H](C)c2c([O-])cccc2F)o1 ZINC000886620510 637612252 /nfs/dbraw/zinc/61/22/52/637612252.db2.gz LMOXQZNOFDFAQL-JTQLQIEISA-N -1 3 278.327 3.323 20 10 CGCDHM O=C(C[C@H]1CCc2ccccc21)NCc1c([O-])cccc1F ZINC000928704499 638889039 /nfs/dbraw/zinc/88/90/39/638889039.db2.gz ADOKZZOZQWHYDV-CYBMUJFWSA-N -1 3 299.345 3.268 20 10 CGCDHM CC(C)c1scnc1C(=O)NCc1c([O-])cccc1F ZINC000928705947 638889497 /nfs/dbraw/zinc/88/94/97/638889497.db2.gz MUFWVJGQRWHKBG-UHFFFAOYSA-N -1 3 294.351 3.041 20 10 CGCDHM CC[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000119962650 641045246 /nfs/dbraw/zinc/04/52/46/641045246.db2.gz BCRLDALSWDJFCI-WDEREUQCSA-N -1 3 269.772 3.045 20 10 CGCDHM CC(C)=C[C@@H]1[C@@H](C(=O)NCc2c([O-])cccc2F)C1(C)C ZINC001156170727 805661790 /nfs/dbraw/zinc/66/17/90/805661790.db2.gz SWOQMYLZZPNXIJ-DOMZBBRYSA-N -1 3 291.366 3.386 20 10 CGCDHM C[C@@H](C(=O)NCc1c([O-])cccc1F)c1ccccc1F ZINC001156170038 805662144 /nfs/dbraw/zinc/66/21/44/805662144.db2.gz CYOVRWXBEWZPAA-SNVBAGLBSA-N -1 3 291.297 3.090 20 10 CGCDHM [O-]c1cccc(F)c1CN1CCc2ccc(F)cc2C1 ZINC001137839073 803779777 /nfs/dbraw/zinc/77/97/77/803779777.db2.gz QDZRQNXLTSCZNO-UHFFFAOYSA-N -1 3 275.298 3.229 20 10 CGCDHM CN(Cc1ccc(Cl)nc1)Cc1c([O-])cccc1F ZINC001137839035 803780432 /nfs/dbraw/zinc/78/04/32/803780432.db2.gz OUGKKSHMKDZSEV-UHFFFAOYSA-N -1 3 280.730 3.212 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CC2(C1)CC(F)(F)C2 ZINC001140461668 804442125 /nfs/dbraw/zinc/44/21/25/804442125.db2.gz PYHXEVWYOMFRSN-UHFFFAOYSA-N -1 3 273.710 3.277 20 10 CGCDHM C[C@]1(F)CCCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508681 804727772 /nfs/dbraw/zinc/72/77/72/804727772.db2.gz HWAHQMNFVVOQSN-AWEZNQCLSA-N -1 3 273.298 3.385 20 10 CGCDHM Cc1ccc(CN(C)Cc2cc(F)c(F)cc2[O-])cn1 ZINC001142530760 804732812 /nfs/dbraw/zinc/73/28/12/804732812.db2.gz LKTCRFPFGOLBFG-UHFFFAOYSA-N -1 3 278.302 3.006 20 10 CGCDHM C[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144299309 804970590 /nfs/dbraw/zinc/97/05/90/804970590.db2.gz VXQPETPZMSZANP-MRVPVSSYSA-N -1 3 288.160 3.136 20 10 CGCDHM O=C(N[C@H](c1cccs1)C1CC1)c1cccc(O)c1[O-] ZINC001290534662 809408989 /nfs/dbraw/zinc/40/89/89/809408989.db2.gz YRHSXFDCEYEGFX-ZDUSSCGKSA-N -1 3 289.356 3.040 20 10 CGCDHM Cc1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc1C ZINC001231453487 818102828 /nfs/dbraw/zinc/10/28/28/818102828.db2.gz HXRQGQZOQXTXJN-UHFFFAOYSA-N -1 3 299.370 3.339 20 10 CGCDHM Cc1ccc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc1C ZINC001231453487 818102831 /nfs/dbraw/zinc/10/28/31/818102831.db2.gz HXRQGQZOQXTXJN-UHFFFAOYSA-N -1 3 299.370 3.339 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC001231561342 818125163 /nfs/dbraw/zinc/12/51/63/818125163.db2.gz SGXWTJHPCABDIP-OAHLLOKOSA-N -1 3 297.354 3.080 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC001231561342 818125167 /nfs/dbraw/zinc/12/51/67/818125167.db2.gz SGXWTJHPCABDIP-OAHLLOKOSA-N -1 3 297.354 3.080 20 10 CGCDHM Cc1cc([O-])c(CN2CCOC[C@@H]2C(C)C)cc1Cl ZINC001231870087 818194178 /nfs/dbraw/zinc/19/41/78/818194178.db2.gz IVEUZROHDABVIQ-CQSZACIVSA-N -1 3 283.799 3.211 20 10 CGCDHM C[C@@]1(F)CCCN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232259042 818296206 /nfs/dbraw/zinc/29/62/06/818296206.db2.gz HHTURABKXPQEJD-CYBMUJFWSA-N -1 3 273.735 3.075 20 10 CGCDHM C[C@]1(F)CCN(Cc2cc(Cl)c([O-])cc2O)C[C@@H]1F ZINC001232258928 818296499 /nfs/dbraw/zinc/29/64/99/818296499.db2.gz DOQZNXUGUZKMJN-STQMWFEESA-N -1 3 291.725 3.023 20 10 CGCDHM CCN(Cc1ccccc1O)Cc1ccc(F)c([O-])c1F ZINC001232936777 818477484 /nfs/dbraw/zinc/47/74/84/818477484.db2.gz GHYIVVBMLCDESJ-UHFFFAOYSA-N -1 3 293.313 3.398 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CC(c2ccccc2)C1 ZINC001233335102 818585313 /nfs/dbraw/zinc/58/53/13/818585313.db2.gz HHEKYGVPBDFQMQ-UHFFFAOYSA-N -1 3 275.298 3.270 20 10 CGCDHM C[C@@]1(F)CCCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233332686 818585834 /nfs/dbraw/zinc/58/58/34/818585834.db2.gz UOCNCSIBKJGKSE-CQSZACIVSA-N -1 3 273.298 3.385 20 10 CGCDHM C[C@H]1CCC[C@@H](NC(=O)NCc2c([O-])cccc2F)CC1 ZINC001234242132 818813486 /nfs/dbraw/zinc/81/34/86/818813486.db2.gz XRSKEJYRILKOFK-NWDGAFQWSA-N -1 3 294.370 3.299 20 10 CGCDHM C[C@H]1CCCN1Cc1cc(F)cc(Br)c1[O-] ZINC001235293876 819063450 /nfs/dbraw/zinc/06/34/50/819063450.db2.gz CSVRYUUYBOQWKP-QMMMGPOBSA-N -1 3 288.160 3.278 20 10 CGCDHM CO[C@@H](C)C1CN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236805216 819603052 /nfs/dbraw/zinc/60/30/52/819603052.db2.gz XMNIWXDXBPRTDB-QMMMGPOBSA-N -1 3 290.190 3.166 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC(F)CC1 ZINC001237804759 819844609 /nfs/dbraw/zinc/84/46/09/819844609.db2.gz FPDLKXMDMOQLFZ-UHFFFAOYSA-N -1 3 261.699 3.119 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC[C@H]2C[C@H]21 ZINC001237804800 819848717 /nfs/dbraw/zinc/84/87/17/819848717.db2.gz GUOCWBSGYVSLDT-QPUJVOFHSA-N -1 3 255.720 3.169 20 10 CGCDHM [O-]c1cc(Cl)ccc1CNCc1noc2c1CCCC2 ZINC001462319214 937632585 /nfs/dbraw/zinc/63/25/85/937632585.db2.gz PUUQZFMYNUNEIM-UHFFFAOYSA-N -1 3 292.766 3.202 20 10 CGCDHM Cc1cc(C(F)F)oc1C(=O)NCc1c([O-])cccc1F ZINC001303876019 932836888 /nfs/dbraw/zinc/83/68/88/932836888.db2.gz SUDYZJGYORDOBO-UHFFFAOYSA-N -1 3 299.248 3.300 20 10 CGCDHM CSc1cccc(N(C)C(=O)c2cccc(O)c2[O-])c1 ZINC001545011852 938148176 /nfs/dbraw/zinc/14/81/76/938148176.db2.gz GZVIMPZUAHCAIK-UHFFFAOYSA-N -1 3 289.356 3.096 20 10 CGCDHM CC1(C)CN(Cc2cc(F)cc(F)c2[O-])[C@H]1C1CC1 ZINC001560868661 938280632 /nfs/dbraw/zinc/28/06/32/938280632.db2.gz LJPDLTDGMNHTAB-AWEZNQCLSA-N -1 3 267.319 3.291 20 10 CGCDHM [O-]c1c(F)cc(F)cc1CN1CC2(C1)CCCCC2 ZINC001560875568 938280920 /nfs/dbraw/zinc/28/09/20/938280920.db2.gz WDWQJFVUTOIDHJ-UHFFFAOYSA-N -1 3 267.319 3.437 20 10 CGCDHM Cc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c([O-])c1 ZINC001594361337 958452226 /nfs/dbraw/zinc/45/22/26/958452226.db2.gz PUOIXXOUYDKNQG-CVEARBPZSA-N -1 3 297.354 3.103 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCCCCc2ccccc21 ZINC001565891634 960852472 /nfs/dbraw/zinc/85/24/72/960852472.db2.gz HUVXDYHCPUOREA-UHFFFAOYSA-N -1 3 297.354 3.471 20 10 CGCDHM C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])C(C)(C)C ZINC001593240703 994430950 /nfs/dbraw/zinc/43/09/50/994430950.db2.gz RNXUWHTVKRBSDK-QWRGUYRKSA-N -1 3 279.380 3.423 20 10 CGCDHM C[C@H]([NH2+]CC(C1CC1)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246438 994451646 /nfs/dbraw/zinc/45/16/46/994451646.db2.gz LJJYCZFGBFMVOU-JTQLQIEISA-N -1 3 289.375 3.177 20 10 CGCDHM C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593251870 994500677 /nfs/dbraw/zinc/50/06/77/994500677.db2.gz LJLJAZMIIMUXSK-VXGBXAGGSA-N -1 3 275.348 3.097 20 10 CGCDHM CCOC[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293794989 372485444 /nfs/dbraw/zinc/48/54/44/372485444.db2.gz BOCKPPIHNIOFOY-JTQLQIEISA-N -1 3 287.762 3.043 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000293842469 372499371 /nfs/dbraw/zinc/49/93/71/372499371.db2.gz BCUGFOAVVSTGFN-CVEARBPZSA-N -1 3 293.794 3.189 20 10 CGCDHM Cc1ccoc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293893126 372514441 /nfs/dbraw/zinc/51/44/41/372514441.db2.gz ZFFCMORVNSGPOC-JTQLQIEISA-N -1 3 276.292 3.053 20 10 CGCDHM CC(C)(C)c1ncc2c(n1)CCN(Cc1ccccc1[O-])C2 ZINC000529642960 375931669 /nfs/dbraw/zinc/93/16/69/375931669.db2.gz PDFBFUGFYBXZHK-UHFFFAOYSA-N -1 3 297.402 3.038 20 10 CGCDHM CO[C@H](C)c1nc(CN[C@@H](C)c2ccccc2[O-])cs1 ZINC000271724919 378502289 /nfs/dbraw/zinc/50/22/89/378502289.db2.gz YPTFSSRWHGDZIK-WDEREUQCSA-N -1 3 292.404 3.407 20 10 CGCDHM C[C@@H](N[C@H](C)c1cc(Cl)ccc1[O-])c1cnn(C)c1 ZINC000273551306 378752613 /nfs/dbraw/zinc/75/26/13/378752613.db2.gz GBUKKXNNJRXSJO-NXEZZACHSA-N -1 3 279.771 3.191 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000375351099 379494313 /nfs/dbraw/zinc/49/43/13/379494313.db2.gz AGRZLGXDGWSWDW-LBPRGKRZSA-N -1 3 277.755 3.106 20 10 CGCDHM C[C@@H](N[C@H](C)c1c(F)cncc1F)c1ccccc1[O-] ZINC000285707418 380153381 /nfs/dbraw/zinc/15/33/81/380153381.db2.gz PHEQEMDYOOZZNH-NXEZZACHSA-N -1 3 278.302 3.477 20 10 CGCDHM [O-]c1ccc2ccccc2c1CN1CCC[C@H]1c1ncon1 ZINC000360156032 381461418 /nfs/dbraw/zinc/46/14/18/381461418.db2.gz BKMMDAVEPVJAOW-HNNXBMFYSA-N -1 3 295.342 3.266 20 10 CGCDHM C[C@H](c1cccs1)N(C)C(=O)c1cc([O-])cs1 ZINC000732273148 572456919 /nfs/dbraw/zinc/45/69/19/572456919.db2.gz YQOHQWVBWWECSV-MRVPVSSYSA-N -1 3 267.375 3.348 20 10 CGCDHM Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000365553876 382288836 /nfs/dbraw/zinc/28/88/36/382288836.db2.gz CFVWLTUFTQOQQS-HNNXBMFYSA-N -1 3 297.354 3.384 20 10 CGCDHM CC(C)(C)Cc1cc(NC(=O)c2cc([O-])cs2)n[nH]1 ZINC000743635194 572675695 /nfs/dbraw/zinc/67/56/95/572675695.db2.gz PLWSQWBGYNQNLR-UHFFFAOYSA-N -1 3 279.365 3.018 20 10 CGCDHM C[C@H](Nc1cnn(CC(F)F)c1)c1cc(F)ccc1[O-] ZINC000186341919 262089266 /nfs/dbraw/zinc/08/92/66/262089266.db2.gz MSESOESOFRQVLZ-QMMMGPOBSA-N -1 3 285.269 3.166 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CC(Cc2ccco2)C1 ZINC000529650307 333503814 /nfs/dbraw/zinc/50/38/14/333503814.db2.gz YNEWDSQHKUXLQE-UHFFFAOYSA-N -1 3 277.751 3.313 20 10 CGCDHM CC1(C)CN(Cc2cccc(Cl)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000291700912 520483033 /nfs/dbraw/zinc/48/30/33/520483033.db2.gz ZBEQVPBDGSRXIB-UKRRQHHQSA-N -1 3 295.810 3.435 20 10 CGCDHM CCCCN(Cc1ccccc1[O-])[C@@H](C)c1noc(C)n1 ZINC000289457453 520551041 /nfs/dbraw/zinc/55/10/41/520551041.db2.gz VKPFDHLJOALGNZ-LBPRGKRZSA-N -1 3 289.379 3.447 20 10 CGCDHM [O-]c1ccccc1CNCc1ncc(C(F)(F)F)s1 ZINC000278542527 526374807 /nfs/dbraw/zinc/37/48/07/526374807.db2.gz AGBJQNPGSNZSDV-UHFFFAOYSA-N -1 3 288.294 3.157 20 10 CGCDHM CC[C@@H](c1ccncc1)N(C)C(=O)c1cc([O-])cs1 ZINC000738545371 572378204 /nfs/dbraw/zinc/37/82/04/572378204.db2.gz FVZBSPKIYYQVHR-LBPRGKRZSA-N -1 3 276.361 3.072 20 10 CGCDHM C[C@@H](CCNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731872312 572431270 /nfs/dbraw/zinc/43/12/70/572431270.db2.gz DDOFDAFBPZNGAZ-NSHDSACASA-N -1 3 275.373 3.377 20 10 CGCDHM O=C(N[C@@H](c1ccccc1)C1CC1)c1cc([O-])cs1 ZINC000731867965 572432877 /nfs/dbraw/zinc/43/28/77/572432877.db2.gz FJAHDEVZJDBKPA-AWEZNQCLSA-N -1 3 273.357 3.335 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC[C@H]1c1ccccc1 ZINC000731867665 572433576 /nfs/dbraw/zinc/43/35/76/572433576.db2.gz OUTCFHAMTGQQJE-ZDUSSCGKSA-N -1 3 273.357 3.431 20 10 CGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)c1nc(C(C)(C)C)no1 ZINC000731912253 572435722 /nfs/dbraw/zinc/43/57/22/572435722.db2.gz RZXIVFWEBVSFED-SSDOTTSWSA-N -1 3 296.348 3.052 20 10 CGCDHM CC(C)c1csc(NC(=O)c2cc([O-])cs2)n1 ZINC000732263884 572454941 /nfs/dbraw/zinc/45/49/41/572454941.db2.gz XDWBFACDXZZLJO-UHFFFAOYSA-N -1 3 268.363 3.286 20 10 CGCDHM O=C(NCC1(c2ccc(F)cc2)CC1)c1cc([O-])cs1 ZINC000732273100 572456813 /nfs/dbraw/zinc/45/68/13/572456813.db2.gz WPFQZQOLFMRWMK-UHFFFAOYSA-N -1 3 291.347 3.054 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CC[C@H](c2ccccc2)C1 ZINC000732279519 572458400 /nfs/dbraw/zinc/45/84/00/572458400.db2.gz SNNVDUJMSHEEDN-LBPRGKRZSA-N -1 3 273.357 3.083 20 10 CGCDHM CC[C@@]1(C)CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000743756053 572682061 /nfs/dbraw/zinc/68/20/61/572682061.db2.gz CSOVUPKQIGICIK-ZDUSSCGKSA-N -1 3 253.367 3.106 20 10 CGCDHM Cc1ccc2cccc(NC(=O)c3cccc(O)c3[O-])c2n1 ZINC000184772933 619222068 /nfs/dbraw/zinc/22/20/68/619222068.db2.gz JVRWVBVCWNWBTF-UHFFFAOYSA-N -1 3 294.310 3.207 20 10 CGCDHM C[C@H](c1ccco1)N(C)Cc1cc(F)cc(F)c1[O-] ZINC000893932214 619335581 /nfs/dbraw/zinc/33/55/81/619335581.db2.gz ZGCNLFJQQKOFOB-SECBINFHSA-N -1 3 267.275 3.456 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1cc(C2CC2)no1 ZINC000895764719 619882056 /nfs/dbraw/zinc/88/20/56/619882056.db2.gz HVJKCZCQZGYOHL-UHFFFAOYSA-N -1 3 296.729 3.340 20 10 CGCDHM C[C@@H](NCc1nc2c(s1)CCC2)c1c([O-])cccc1F ZINC000903191365 621628932 /nfs/dbraw/zinc/62/89/32/621628932.db2.gz VADJMIZTMRKVMP-SECBINFHSA-N -1 3 292.379 3.327 20 10 CGCDHM C[C@@H](N[C@H](C)c1c([O-])cccc1F)c1cncs1 ZINC000903305378 621679379 /nfs/dbraw/zinc/67/93/79/621679379.db2.gz LKUGVBMVONEQSS-RKDXNWHRSA-N -1 3 266.341 3.400 20 10 CGCDHM C/C=C\C[C@@H](NCc1cc(Cl)ccc1[O-])C(=O)OCC ZINC000763361906 627153706 /nfs/dbraw/zinc/15/37/06/627153706.db2.gz NEMJXNVGQGMDSQ-HSBHDXMMSA-N -1 3 297.782 3.033 20 10 CGCDHM CCN(CC)c1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000764434538 627207530 /nfs/dbraw/zinc/20/75/30/627207530.db2.gz KBRNGANBGNMGET-YFHOEESVSA-N -1 3 269.348 3.199 20 10 CGCDHM Cc1ccc([C@H](NC(=O)c2cccc(O)c2[O-])C2CC2)cc1 ZINC000776328225 628194057 /nfs/dbraw/zinc/19/40/57/628194057.db2.gz ZYEKYJAYBNUUSW-INIZCTEOSA-N -1 3 297.354 3.287 20 10 CGCDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])c1cccc(C)c1 ZINC000780884404 628522091 /nfs/dbraw/zinc/52/20/91/628522091.db2.gz APUZYAAZFLHOQF-UHFFFAOYSA-N -1 3 285.343 3.381 20 10 CGCDHM [O-]c1ccc(F)cc1CNCC(F)(F)c1ccccc1 ZINC000789581731 629146821 /nfs/dbraw/zinc/14/68/21/629146821.db2.gz SZYWVLVPSWNGFP-UHFFFAOYSA-N -1 3 281.277 3.413 20 10 CGCDHM [O-]c1ccccc1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790955254 629242563 /nfs/dbraw/zinc/24/25/63/629242563.db2.gz PGHXFZYHNINFNP-UHFFFAOYSA-N -1 3 281.714 3.180 20 10 CGCDHM CCn1ccnc1[C@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000825005493 633316941 /nfs/dbraw/zinc/31/69/41/633316941.db2.gz MNCRJPHRARGADN-VIFPVBQESA-N -1 3 297.761 3.252 20 10 CGCDHM Cc1cc([O-])c(CN2CCC[C@H](F)C2)cc1Cl ZINC000826142371 633407989 /nfs/dbraw/zinc/40/79/89/633407989.db2.gz AJBBGXVJGYUFRT-NSHDSACASA-N -1 3 257.736 3.288 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](C2CCC2)CC1 ZINC000871223384 633733015 /nfs/dbraw/zinc/73/30/15/633733015.db2.gz UVXPASZRDUHHEA-ZDUSSCGKSA-N -1 3 289.375 3.140 20 10 CGCDHM C[C@@H](NCc1ccc2c(c1)CCO2)c1cccc([O-])c1F ZINC000872030655 633949098 /nfs/dbraw/zinc/94/90/98/633949098.db2.gz IWASMZPXPHXVCV-LLVKDONJSA-N -1 3 287.334 3.317 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CC2(CCC2)[C@H]1c1ccco1 ZINC000837015850 634842803 /nfs/dbraw/zinc/84/28/03/634842803.db2.gz OULJZPXTKMCKRU-OAHLLOKOSA-N -1 3 299.326 3.058 20 10 CGCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)CC(C)(C)O1 ZINC000133112245 636874380 /nfs/dbraw/zinc/87/43/80/636874380.db2.gz SIJGVYLRUFIASH-JTQLQIEISA-N -1 3 269.772 3.045 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](C2CCCCC2)C1 ZINC000855637314 638227306 /nfs/dbraw/zinc/22/73/06/638227306.db2.gz XZOIGNIUJXLCLH-CYBMUJFWSA-N -1 3 289.375 3.140 20 10 CGCDHM CCC(CC)(CC)C(=O)NCc1c([O-])cccc1F ZINC000928705668 638889263 /nfs/dbraw/zinc/88/92/63/638889263.db2.gz MQWYDRJTDOYKCB-UHFFFAOYSA-N -1 3 267.344 3.364 20 10 CGCDHM C[C@@H]1[C@@H](C(=O)NCc2c([O-])cccc2F)[C@H]1c1ccccc1 ZINC000928708391 638889315 /nfs/dbraw/zinc/88/93/15/638889315.db2.gz KLMHSFAQLQGLTG-YMRXKLBXSA-N -1 3 299.345 3.197 20 10 CGCDHM Cc1noc(C(C)C)c1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000928785793 638891948 /nfs/dbraw/zinc/89/19/48/638891948.db2.gz HVTBVTZVLLTFRV-UHFFFAOYSA-N -1 3 290.319 3.078 20 10 CGCDHM CC1(C)CCC(C(=O)NCc2c([O-])cccc2F)CC1 ZINC001156170276 805662070 /nfs/dbraw/zinc/66/20/70/805662070.db2.gz JQNWKUFKWANWRL-UHFFFAOYSA-N -1 3 279.355 3.364 20 10 CGCDHM C[C@H](C(=O)NCc1c([O-])cccc1F)c1ccccc1F ZINC001156170037 805662134 /nfs/dbraw/zinc/66/21/34/805662134.db2.gz CYOVRWXBEWZPAA-JTQLQIEISA-N -1 3 291.297 3.090 20 10 CGCDHM Cc1nc(CNCc2c([O-])cccc2Cl)sc1C ZINC000719527460 800241386 /nfs/dbraw/zinc/24/13/86/800241386.db2.gz IQGGRZRZDMACDE-UHFFFAOYSA-N -1 3 282.796 3.409 20 10 CGCDHM CC(C)OC1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139684454 804253156 /nfs/dbraw/zinc/25/31/56/804253156.db2.gz VBJDQGLTWYZTFQ-UHFFFAOYSA-N -1 3 285.334 3.060 20 10 CGCDHM Cc1cc2c(cn1)CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140465349 804443878 /nfs/dbraw/zinc/44/38/78/804443878.db2.gz KCDYLTCQNDWQPC-UHFFFAOYSA-N -1 3 274.751 3.265 20 10 CGCDHM CC(C)N(CCc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC001142469922 804725276 /nfs/dbraw/zinc/72/52/76/804725276.db2.gz OTYHSSQODKUKMJ-UHFFFAOYSA-N -1 3 299.370 3.191 20 10 CGCDHM O=C(Nc1ccc(F)c2cnccc12)c1cccc(O)c1[O-] ZINC001148218986 805167940 /nfs/dbraw/zinc/16/79/40/805167940.db2.gz QCWKYLOYMCZPRR-UHFFFAOYSA-N -1 3 298.273 3.037 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1cccc2cnccc21 ZINC001178412561 809864742 /nfs/dbraw/zinc/86/47/42/809864742.db2.gz AEIDYRYTRBAXRE-UHFFFAOYSA-N -1 3 296.301 3.010 20 10 CGCDHM C[C@H]1CCC[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC001224857486 816895442 /nfs/dbraw/zinc/89/54/42/816895442.db2.gz JIJIQTOSRRQPOI-NWDGAFQWSA-N -1 3 294.370 3.157 20 10 CGCDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1C=CCC1 ZINC001227940068 817760616 /nfs/dbraw/zinc/76/06/16/817760616.db2.gz HWHJTPNSIRFMOK-CYBMUJFWSA-N -1 3 296.322 3.426 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@@H](C(F)F)C1 ZINC001233335446 818587882 /nfs/dbraw/zinc/58/78/82/818587882.db2.gz VQUGOVKTTWSFCO-MRVPVSSYSA-N -1 3 277.261 3.148 20 10 CGCDHM C[C@H]1COCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794839 819596945 /nfs/dbraw/zinc/59/69/45/819596945.db2.gz VKIBYMAXRRAVEB-SECBINFHSA-N -1 3 290.190 3.167 20 10 CGCDHM CC1(C)CN(Cc2cc(F)c(F)cc2[O-])[C@H]1C1CC1 ZINC001474560907 937206360 /nfs/dbraw/zinc/20/63/60/937206360.db2.gz LKYNUQTWXFJVOH-AWEZNQCLSA-N -1 3 267.319 3.291 20 10 CGCDHM C[C@H](Cc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001456029387 937424705 /nfs/dbraw/zinc/42/47/05/937424705.db2.gz NAEJSWIJBMJZIC-GFCCVEGCSA-N -1 3 287.334 3.026 20 10 CGCDHM Cc1cc(Cl)ccc1C(=O)NCc1c([O-])cccc1F ZINC001303878628 932835632 /nfs/dbraw/zinc/83/56/32/932835632.db2.gz QCYFZZXJINZYJP-UHFFFAOYSA-N -1 3 293.725 3.423 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H]2[C@H](C1)C2(F)F ZINC001462338822 937633761 /nfs/dbraw/zinc/63/37/61/937633761.db2.gz YBBNKEIFKSPSFF-BDAKNGLRSA-N -1 3 291.700 3.272 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1cnn2ccccc12 ZINC001308480033 933117389 /nfs/dbraw/zinc/11/73/89/933117389.db2.gz YUTKEUXCRQEWNV-UHFFFAOYSA-N -1 3 273.723 3.305 20 10 CGCDHM CC(C)CCCCNC(=O)NCc1c([O-])cccc1F ZINC001468958258 937733731 /nfs/dbraw/zinc/73/37/31/937733731.db2.gz BWUGCDBJVXMVIH-UHFFFAOYSA-N -1 3 282.359 3.157 20 10 CGCDHM C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593224837 994342879 /nfs/dbraw/zinc/34/28/79/994342879.db2.gz RLZTZGMNKUVDJJ-ZMLRMANQSA-N -1 3 281.327 3.022 20 10 CGCDHM COC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000132137397 371154268 /nfs/dbraw/zinc/15/42/68/371154268.db2.gz BEQWBNPWMLXRCW-UHFFFAOYSA-N -1 3 290.190 3.310 20 10 CGCDHM CCc1nc(C)c(CN[C@@H](C)c2ccc(F)cc2[O-])o1 ZINC000291974955 372178808 /nfs/dbraw/zinc/17/88/08/372178808.db2.gz UOCXTPZTHHOVIH-VIFPVBQESA-N -1 3 278.327 3.241 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCCSCC1 ZINC000293681635 372447669 /nfs/dbraw/zinc/44/76/69/372447669.db2.gz RLGQRUKCCHIZMY-UHFFFAOYSA-N -1 3 275.776 3.124 20 10 CGCDHM CN(C)c1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000294169325 372602510 /nfs/dbraw/zinc/60/25/10/372602510.db2.gz JALCIRPCENMPSZ-UHFFFAOYSA-N -1 3 292.329 3.026 20 10 CGCDHM Cc1ccc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)c([O-])c1O ZINC000181897643 374187975 /nfs/dbraw/zinc/18/79/75/374187975.db2.gz PBJBMEDDIVIEFJ-PWSUYJOCSA-N -1 3 277.364 3.057 20 10 CGCDHM Cc1cc(CN[C@@H](C)c2cc(Cl)ccc2[O-])on1 ZINC000185357060 374646220 /nfs/dbraw/zinc/64/62/20/374646220.db2.gz NLDCTERQNZWJCS-VIFPVBQESA-N -1 3 266.728 3.193 20 10 CGCDHM Cc1c([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2[O-])cnn1C ZINC000191201121 375594206 /nfs/dbraw/zinc/59/42/06/375594206.db2.gz HFDMQROSBACTPX-RKDXNWHRSA-N -1 3 295.333 3.124 20 10 CGCDHM CC(C)CC[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193138467 375832311 /nfs/dbraw/zinc/83/23/11/375832311.db2.gz BFSRESPRSQTTDG-GFCCVEGCSA-N -1 3 277.364 3.139 20 10 CGCDHM CCC[C@@H](C)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193138551 375832710 /nfs/dbraw/zinc/83/27/10/375832710.db2.gz KHCBZTPEMAEGAQ-DGCLKSJQSA-N -1 3 277.364 3.139 20 10 CGCDHM CC(C)c1nnc(NCc2c([O-])cccc2Cl)o1 ZINC000272004833 378544236 /nfs/dbraw/zinc/54/42/36/378544236.db2.gz XJUHNPXNOYTAAL-UHFFFAOYSA-N -1 3 267.716 3.164 20 10 CGCDHM CN(C)c1ccccc1CNCc1cccc(Cl)c1[O-] ZINC000271980536 378535744 /nfs/dbraw/zinc/53/57/44/378535744.db2.gz MRAYSRRCMNTXNP-UHFFFAOYSA-N -1 3 290.794 3.401 20 10 CGCDHM Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1[O-] ZINC000272390150 378627281 /nfs/dbraw/zinc/62/72/81/378627281.db2.gz GRNBVDDLKCKGLP-UHFFFAOYSA-N -1 3 298.386 3.039 20 10 CGCDHM Cc1ccc(NC(=O)c2cc([O-])cs2)cc1F ZINC000731864347 572430465 /nfs/dbraw/zinc/43/04/65/572430465.db2.gz QZDYWSRTILPHPK-UHFFFAOYSA-N -1 3 251.282 3.154 20 10 CGCDHM CN(Cc1cnc(C(C)(C)C)nc1)Cc1ccccc1[O-] ZINC000284321176 380138874 /nfs/dbraw/zinc/13/88/74/380138874.db2.gz KBVFXOHHCWRQAI-UHFFFAOYSA-N -1 3 285.391 3.112 20 10 CGCDHM COc1cc(Cl)cc(CN(C)Cc2cscn2)c1[O-] ZINC000184684016 262025950 /nfs/dbraw/zinc/02/59/50/262025950.db2.gz TUDXGUNLKZONEB-UHFFFAOYSA-N -1 3 298.795 3.143 20 10 CGCDHM C[C@H]1CCCN1Cc1cc(Br)c(F)cc1[O-] ZINC001144299118 804970570 /nfs/dbraw/zinc/97/05/70/804970570.db2.gz PPGWPFHOVKQLAK-QMMMGPOBSA-N -1 3 288.160 3.278 20 10 CGCDHM Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c([O-])c1O ZINC000181816517 261912160 /nfs/dbraw/zinc/91/21/60/261912160.db2.gz BXAHIIFMJUZYQQ-JSGCOSHPSA-N -1 3 289.375 3.201 20 10 CGCDHM Cc1ccc(C(=O)N2CC[C@H](C)C3(CCC3)C2)c([O-])c1O ZINC000272905335 263009835 /nfs/dbraw/zinc/00/98/35/263009835.db2.gz CKBUNXSMGMAQKF-LBPRGKRZSA-N -1 3 289.375 3.059 20 10 CGCDHM C[C@H](N[C@@H]1COc2cc(F)cc(F)c21)c1ccccc1[O-] ZINC000368212320 267152888 /nfs/dbraw/zinc/15/28/88/267152888.db2.gz MPNXHFGSNOEYDK-TVQRCGJNSA-N -1 3 291.297 3.455 20 10 CGCDHM CCc1nnc(CN[C@@H](CC)c2ccccc2[O-])s1 ZINC000273116852 327852605 /nfs/dbraw/zinc/85/26/05/327852605.db2.gz HAGIGGOZTGYADO-NSHDSACASA-N -1 3 277.393 3.047 20 10 CGCDHM CCn1nncc1CN[C@H](C)c1ccc2ccccc2c1[O-] ZINC000527921137 330295762 /nfs/dbraw/zinc/29/57/62/330295762.db2.gz VFZYBYGODLLMQS-GFCCVEGCSA-N -1 3 296.374 3.008 20 10 CGCDHM CCCN(Cc1noc(C2CC2)n1)Cc1ccccc1[O-] ZINC000068973541 521696549 /nfs/dbraw/zinc/69/65/49/521696549.db2.gz QPQUJXHCUGWOEZ-UHFFFAOYSA-N -1 3 287.363 3.065 20 10 CGCDHM COCc1cccc(CNCc2c([O-])cccc2Cl)c1 ZINC000083551933 523052449 /nfs/dbraw/zinc/05/24/49/523052449.db2.gz XSZOOOCONWDNOR-UHFFFAOYSA-N -1 3 291.778 3.482 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CC2(CC2)c2ccccc21 ZINC000740128875 572433171 /nfs/dbraw/zinc/43/31/71/572433171.db2.gz XKSFKLLBOSIBFZ-UHFFFAOYSA-N -1 3 271.341 3.146 20 10 CGCDHM CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cs1 ZINC000732269915 572455715 /nfs/dbraw/zinc/45/57/15/572455715.db2.gz MDPOGCJXTABTMG-KOLCDFICSA-N -1 3 253.367 3.152 20 10 CGCDHM C[C@H](Cc1ccccc1Cl)NC(=O)c1cc([O-])cs1 ZINC000732270147 572455795 /nfs/dbraw/zinc/45/57/95/572455795.db2.gz KMDXCCJJTVIXMV-SECBINFHSA-N -1 3 295.791 3.468 20 10 CGCDHM CCCCN(CCCC)C(=O)c1cc([O-])cs1 ZINC000732270401 572456061 /nfs/dbraw/zinc/45/60/61/572456061.db2.gz ASZXFGIJRUINOJ-UHFFFAOYSA-N -1 3 255.383 3.496 20 10 CGCDHM O=C(Nc1cc(-c2ccccc2)[nH]n1)c1cc([O-])cs1 ZINC000732272581 572456736 /nfs/dbraw/zinc/45/67/36/572456736.db2.gz WVHGNYYSTKSYOT-UHFFFAOYSA-N -1 3 285.328 3.096 20 10 CGCDHM CCC1(C)CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732283596 572458212 /nfs/dbraw/zinc/45/82/12/572458212.db2.gz PSRBIJLRIDCWRQ-UHFFFAOYSA-N -1 3 253.367 3.106 20 10 CGCDHM CCC[C@H](NC(=O)c1cc([O-])cs1)c1ccccn1 ZINC000732286616 572459145 /nfs/dbraw/zinc/45/91/45/572459145.db2.gz FXLLLRSAUXCMBK-LBPRGKRZSA-N -1 3 276.361 3.120 20 10 CGCDHM Cc1cccc(F)c1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000742380598 572571094 /nfs/dbraw/zinc/57/10/94/572571094.db2.gz OUBWMKKGHNZKEX-UHFFFAOYSA-N -1 3 290.294 3.038 20 10 CGCDHM CCCCO[C@@H]1C[C@@H](NC(=O)c2cc([O-])cs2)C1(C)C ZINC000748860602 572987002 /nfs/dbraw/zinc/98/70/02/572987002.db2.gz SLBMZXMDEWGIEM-CHWSQXEVSA-N -1 3 297.420 3.167 20 10 CGCDHM CC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](C)O1 ZINC000245567653 618166296 /nfs/dbraw/zinc/16/62/96/618166296.db2.gz UPPGBMOENXYHHQ-ZWNOBZJWSA-N -1 3 269.772 3.045 20 10 CGCDHM Cc1ccc(C(=O)Nc2ccc(F)cc2C)c([O-])c1O ZINC000177667857 618834895 /nfs/dbraw/zinc/83/48/95/618834895.db2.gz GLBGOPKBPWQRPN-UHFFFAOYSA-N -1 3 275.279 3.106 20 10 CGCDHM CC(C)(C)c1ccnc(NCc2c([O-])cccc2F)n1 ZINC000895832606 619894292 /nfs/dbraw/zinc/89/42/92/619894292.db2.gz INWARPAGSCKZBC-UHFFFAOYSA-N -1 3 275.327 3.231 20 10 CGCDHM CC[C@H](NCc1cn(C)cn1)c1cccc(Cl)c1[O-] ZINC000903351998 621709705 /nfs/dbraw/zinc/70/97/05/621709705.db2.gz PUUWDYYDLCCWRJ-ZDUSSCGKSA-N -1 3 279.771 3.020 20 10 CGCDHM CCN(CC)c1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC000916502840 624167749 /nfs/dbraw/zinc/16/77/49/624167749.db2.gz NPGLGAKXDYYQDT-UHFFFAOYSA-N -1 3 298.386 3.168 20 10 CGCDHM C[C@H](NCc1ccco1)c1cc(F)cc(F)c1[O-] ZINC000756343603 626693723 /nfs/dbraw/zinc/69/37/23/626693723.db2.gz PRTZNVLHKHSJLN-QMMMGPOBSA-N -1 3 253.248 3.114 20 10 CGCDHM O=C(NCc1cc2ccccc2s1)c1cccc(O)c1[O-] ZINC000790579567 629219265 /nfs/dbraw/zinc/21/92/65/629219265.db2.gz KIZIJEQRULGPFD-UHFFFAOYSA-N -1 3 299.351 3.243 20 10 CGCDHM CC1(C)Cc2cc(NC(=O)c3cccc(O)c3[O-])ccc2O1 ZINC000790883381 629239460 /nfs/dbraw/zinc/23/94/60/629239460.db2.gz XFWYYEGHXHTLDM-UHFFFAOYSA-N -1 3 299.326 3.064 20 10 CGCDHM CCc1ccc(NC(=O)c2cccc(O)c2[O-])cc1F ZINC000790903650 629240273 /nfs/dbraw/zinc/24/02/73/629240273.db2.gz KGHNWZZREVDWKV-UHFFFAOYSA-N -1 3 275.279 3.052 20 10 CGCDHM CO[C@@]1(C)CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000793216860 629429667 /nfs/dbraw/zinc/42/96/67/629429667.db2.gz JSNZXVGSOWMTTI-AWEZNQCLSA-N -1 3 287.762 3.186 20 10 CGCDHM C[C@@H]1C[C@@H](C)N1Cc1cccc(Br)c1[O-] ZINC000793227449 629431797 /nfs/dbraw/zinc/43/17/97/629431797.db2.gz CETCDOIAQTXDBD-RKDXNWHRSA-N -1 3 270.170 3.137 20 10 CGCDHM CN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)ccc1[O-] ZINC000015250004 629891736 /nfs/dbraw/zinc/89/17/36/629891736.db2.gz ZFIPGTOVSVMMPM-CQSZACIVSA-N -1 3 288.734 3.242 20 10 CGCDHM C[C@H]1C[C@@H]1c1nnc(NCc2c([O-])cccc2Cl)o1 ZINC000865295729 630057894 /nfs/dbraw/zinc/05/78/94/630057894.db2.gz KOPFAEZFMVXRSG-YUMQZZPRSA-N -1 3 279.727 3.164 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC(C2CCOCC2)C1 ZINC000800530675 630291477 /nfs/dbraw/zinc/29/14/77/630291477.db2.gz TYSWWJPJWXEUBR-UHFFFAOYSA-N -1 3 299.773 3.043 20 10 CGCDHM O=C(NCC1CC(c2ccccc2)C1)c1cccc(O)c1[O-] ZINC000802189183 630382701 /nfs/dbraw/zinc/38/27/01/630382701.db2.gz SZBOGQZTRGVTOG-UHFFFAOYSA-N -1 3 297.354 3.021 20 10 CGCDHM CC(C)Oc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000126240522 634926136 /nfs/dbraw/zinc/92/61/36/634926136.db2.gz ADCBSJXVSUQIAL-UHFFFAOYSA-N -1 3 287.315 3.137 20 10 CGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Cl)cc1 ZINC000126312803 634959009 /nfs/dbraw/zinc/95/90/09/634959009.db2.gz QSWLYOWOSKVGMC-VIFPVBQESA-N -1 3 291.734 3.242 20 10 CGCDHM [O-]c1c(CN2CCC[C@H]2c2ccncc2)ccc(F)c1F ZINC000877524396 635071820 /nfs/dbraw/zinc/07/18/20/635071820.db2.gz WTNLSXKKZUQAOR-AWEZNQCLSA-N -1 3 290.313 3.403 20 10 CGCDHM Cc1cnc(CNCc2c([O-])cc(C)cc2Cl)s1 ZINC000840906987 635079340 /nfs/dbraw/zinc/07/93/40/635079340.db2.gz YZGKKBACUYURJV-UHFFFAOYSA-N -1 3 282.796 3.409 20 10 CGCDHM C[C@@H](Nc1cnn(CC(F)F)c1)c1c([O-])cccc1F ZINC000886577095 637588910 /nfs/dbraw/zinc/58/89/10/637588910.db2.gz WUZSKEGFJXETNL-MRVPVSSYSA-N -1 3 285.269 3.166 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCc2ccccc21 ZINC000928712054 638889552 /nfs/dbraw/zinc/88/95/52/638889552.db2.gz NSEPTXUOSHHECV-CQSZACIVSA-N -1 3 299.345 3.268 20 10 CGCDHM C[C@H](NCc1c([O-])cccc1Cl)c1cscn1 ZINC000700419466 799872088 /nfs/dbraw/zinc/87/20/88/799872088.db2.gz NKFKOVFYKMBWAL-QMMMGPOBSA-N -1 3 268.769 3.353 20 10 CGCDHM C[C@]1(C(F)(F)F)CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000708619992 799992281 /nfs/dbraw/zinc/99/22/81/799992281.db2.gz SJINOYXFQYXGBE-LBPRGKRZSA-N -1 3 295.251 3.445 20 10 CGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H](CF)C1 ZINC000711501448 800064076 /nfs/dbraw/zinc/06/40/76/800064076.db2.gz FRLGYDPTTCHJFR-MRVPVSSYSA-N -1 3 278.154 3.490 20 10 CGCDHM C[C@]1(F)CCN(Cc2c([O-])cccc2Cl)C[C@@H]1F ZINC001140338065 804417805 /nfs/dbraw/zinc/41/78/05/804417805.db2.gz TUSLGUXWBZIMOC-STQMWFEESA-N -1 3 275.726 3.318 20 10 CGCDHM CC[C@@H](C)C1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC001148224737 805169839 /nfs/dbraw/zinc/16/98/39/805169839.db2.gz UCVYPELKORDDCH-PNESKVBLSA-N -1 3 291.391 3.433 20 10 CGCDHM CC(=O)c1ccc(-c2noc(-c3cccc(O)c3[O-])n2)cc1 ZINC001215145867 815488897 /nfs/dbraw/zinc/48/88/97/815488897.db2.gz NSSRFVXPJSSVSR-UHFFFAOYSA-N -1 3 296.282 3.017 20 10 CGCDHM CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@H](C)O1 ZINC001204899892 812769228 /nfs/dbraw/zinc/76/92/28/812769228.db2.gz UMFPWBOIJLGSIK-WCQYABFASA-N -1 3 283.799 3.353 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCCCCCCC2)c1 ZINC001231565815 818124226 /nfs/dbraw/zinc/12/42/26/818124226.db2.gz CXZVTKGXMHYCCP-UHFFFAOYSA-N -1 3 277.364 3.247 20 10 CGCDHM CN(Cc1cccc(F)c1)Cc1c([O-])ccc(F)c1F ZINC001233332151 818585709 /nfs/dbraw/zinc/58/57/09/818585709.db2.gz AIIZWCFQFFEVDL-UHFFFAOYSA-N -1 3 281.277 3.442 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCc2ccsc2C1 ZINC001233334666 818585903 /nfs/dbraw/zinc/58/59/03/818585903.db2.gz PGHXELWDZVDFKK-UHFFFAOYSA-N -1 3 281.327 3.290 20 10 CGCDHM CC(C)OC1CN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455328 818623926 /nfs/dbraw/zinc/62/39/26/818623926.db2.gz GDJKLNZAYWITCJ-UHFFFAOYSA-N -1 3 289.297 3.020 20 10 CGCDHM CC1(O)CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237078408 819662391 /nfs/dbraw/zinc/66/23/91/819662391.db2.gz SAGMYGAFVPUKPW-UHFFFAOYSA-N -1 3 290.190 3.046 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCNC2=CCCC[C@H]21 ZINC001237228592 819706762 /nfs/dbraw/zinc/70/67/62/819706762.db2.gz KNTVOPZUQYYHBU-CQSZACIVSA-N -1 3 296.773 3.026 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@]2(CC2(F)F)C1 ZINC001237799271 819843876 /nfs/dbraw/zinc/84/38/76/819843876.db2.gz QNGIXMGKISSYDT-LBPRGKRZSA-N -1 3 291.700 3.416 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001237804798 819846444 /nfs/dbraw/zinc/84/64/44/819846444.db2.gz GUOCWBSGYVSLDT-PELKAZGASA-N -1 3 255.720 3.169 20 10 CGCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@H]2CCCO[C@H]2C1 ZINC001237935165 819889848 /nfs/dbraw/zinc/88/98/48/819889848.db2.gz QXULQKSJRYGQNO-BMIGLBTASA-N -1 3 299.773 3.186 20 10 CGCDHM CCCO[C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237937107 819890104 /nfs/dbraw/zinc/89/01/04/819890104.db2.gz NUBHRAOVOHMLTB-LLVKDONJSA-N -1 3 287.762 3.186 20 10 CGCDHM CCCC[C@@H](CCC)CNC(=O)c1cccc(O)c1[O-] ZINC001445633638 937358778 /nfs/dbraw/zinc/35/87/78/937358778.db2.gz SAGLJPGLJUJXQZ-GFCCVEGCSA-N -1 3 279.380 3.434 20 10 CGCDHM CCN(C(=O)c1cccc(O)c1[O-])c1ccc(F)c(C)c1 ZINC001455501355 937418799 /nfs/dbraw/zinc/41/87/99/937418799.db2.gz HIVQGGJBQKNKTJ-UHFFFAOYSA-N -1 3 289.306 3.212 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CNc1cccc2n[nH]nc21 ZINC001308406669 933106812 /nfs/dbraw/zinc/10/68/12/933106812.db2.gz AWXQKJUVMCMBLP-UHFFFAOYSA-N -1 3 292.701 3.068 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CNc1cccc2[nH]nnc21 ZINC001308406669 933106815 /nfs/dbraw/zinc/10/68/15/933106815.db2.gz AWXQKJUVMCMBLP-UHFFFAOYSA-N -1 3 292.701 3.068 20 10 CGCDHM CC1(C)CN(Cc2cc(F)c(F)cc2[O-])[C@H]1[C@H]1CCCO1 ZINC001308800633 933179126 /nfs/dbraw/zinc/17/91/26/933179126.db2.gz FDYVAQKKISFCOJ-CABCVRRESA-N -1 3 297.345 3.060 20 10 CGCDHM CCC[C@@H]1CCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001471975717 937771320 /nfs/dbraw/zinc/77/13/20/937771320.db2.gz FAYAZZABJYHFTJ-NEPJUHHUSA-N -1 3 279.355 3.364 20 10 CGCDHM [O-]c1c(F)cccc1CN1Cc2ccc(O)cc2C2(CC2)C1 ZINC001474542291 937865887 /nfs/dbraw/zinc/86/58/87/937865887.db2.gz QGRPUPAULMCCGY-UHFFFAOYSA-N -1 3 299.345 3.284 20 10 CGCDHM Cc1ccc([S@](C)(=O)=NC(=O)c2cc([O-])cs2)cc1 ZINC001558602558 938216765 /nfs/dbraw/zinc/21/67/65/938216765.db2.gz VCJZCNRBQALSPK-IBGZPJMESA-N -1 3 295.385 3.059 20 10 CGCDHM CC[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])[C@H](CC)CO1 ZINC001560919665 938283890 /nfs/dbraw/zinc/28/38/90/938283890.db2.gz KGLONKBCVYABGB-VXGBXAGGSA-N -1 3 285.334 3.060 20 10 CGCDHM CSCCCCC[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001599799294 988148889 /nfs/dbraw/zinc/14/88/89/988148889.db2.gz CFVFZEBENYMIPW-NSHDSACASA-N -1 3 297.420 3.274 20 10 CGCDHM C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593203446 994186724 /nfs/dbraw/zinc/18/67/24/994186724.db2.gz DSQMIAXGLQFCDH-MGPLVRAMSA-N -1 3 289.375 3.320 20 10 CGCDHM C[C@H]([NH2+][C@H](C1CC1)C1CCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593203447 994186940 /nfs/dbraw/zinc/18/69/40/994186940.db2.gz DSQMIAXGLQFCDH-QFYYESIMSA-N -1 3 289.375 3.320 20 10 CGCDHM C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1ccccc1[O-] ZINC000287432887 371656150 /nfs/dbraw/zinc/65/61/50/371656150.db2.gz SZDZLTZOFNMGMC-PRHODGIISA-N -1 3 259.271 3.384 20 10 CGCDHM Cc1noc([C@H]2CCCN2Cc2c([O-])cccc2Cl)n1 ZINC000289141809 371750425 /nfs/dbraw/zinc/75/04/25/371750425.db2.gz AIKZPRKLHXPHEB-GFCCVEGCSA-N -1 3 293.754 3.074 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN[C@H]1CCCc2c[nH]nc21 ZINC000293662379 372442472 /nfs/dbraw/zinc/44/24/72/372442472.db2.gz PPZLPWJALKIICM-LBPRGKRZSA-N -1 3 295.745 3.075 20 10 CGCDHM CCn1cc([C@@H](C)NCc2cc(Cl)c(F)cc2[O-])cn1 ZINC000294825770 372674563 /nfs/dbraw/zinc/67/45/63/372674563.db2.gz KZGCXFRDXDUTGU-SECBINFHSA-N -1 3 297.761 3.252 20 10 CGCDHM Cc1ccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)c([O-])c1O ZINC000294903801 372678839 /nfs/dbraw/zinc/67/88/39/372678839.db2.gz VRXRXMXGYCMXEQ-QWHCGFSZSA-N -1 3 289.375 3.057 20 10 CGCDHM COC[C@@H](NCc1cccc(Cl)c1[O-])c1ccco1 ZINC000182531593 374286581 /nfs/dbraw/zinc/28/65/81/374286581.db2.gz PXBAGTMMTOCCEM-GFCCVEGCSA-N -1 3 281.739 3.116 20 10 CGCDHM O=C(NCCc1ccc(Cl)cc1)c1cc([O-])cs1 ZINC000731861487 572430451 /nfs/dbraw/zinc/43/04/51/572430451.db2.gz CUCHPHKMSQBQLW-UHFFFAOYSA-N -1 3 281.764 3.080 20 10 CGCDHM CC[C@H]1CN(Cc2c([O-])cccc2Cl)CCCO1 ZINC000281111651 379817738 /nfs/dbraw/zinc/81/77/38/379817738.db2.gz BHTWSSDKEXZSRU-NSHDSACASA-N -1 3 269.772 3.047 20 10 CGCDHM Cc1cc(C)cc(NC(=O)CN(C)Cc2ccccc2[O-])c1 ZINC000109771935 392372550 /nfs/dbraw/zinc/37/25/50/392372550.db2.gz NGHUQEQOZOOYTG-UHFFFAOYSA-N -1 3 298.386 3.080 20 10 CGCDHM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc([O-])cs1 ZINC000743417801 572658023 /nfs/dbraw/zinc/65/80/23/572658023.db2.gz CYOVISJRCWQLEQ-FOGDFJRCSA-N -1 3 265.378 3.247 20 10 CGCDHM Cc1ccc(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)c([O-])c1O ZINC000294903803 292049580 /nfs/dbraw/zinc/04/95/80/292049580.db2.gz VRXRXMXGYCMXEQ-STQMWFEESA-N -1 3 289.375 3.057 20 10 CGCDHM COC(=O)[C@H](c1ccccc1C)N(C)Cc1ccccc1[O-] ZINC000163148959 261307663 /nfs/dbraw/zinc/30/76/63/261307663.db2.gz UCILDBQPCWKUMZ-KRWDZBQOSA-N -1 3 299.370 3.047 20 10 CGCDHM COCC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295440371 522935050 /nfs/dbraw/zinc/93/50/50/522935050.db2.gz UKQFAJNGQVMDPO-UHFFFAOYSA-N -1 3 287.762 3.043 20 10 CGCDHM CN(Cc1cnc(Cl)s1)Cc1ccccc1[O-] ZINC000079321476 523498575 /nfs/dbraw/zinc/49/85/75/523498575.db2.gz IBQZDDGPHISTHO-UHFFFAOYSA-N -1 3 268.769 3.134 20 10 CGCDHM C[C@H](NCc1cccc2c1OCO2)c1ccc(F)cc1[O-] ZINC000062747994 525458619 /nfs/dbraw/zinc/45/86/19/525458619.db2.gz FSMHGLBERCKHSD-JTQLQIEISA-N -1 3 289.306 3.111 20 10 CGCDHM [O-]c1c(F)cccc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000290363271 526328508 /nfs/dbraw/zinc/32/85/08/526328508.db2.gz AAVCIAWGKHNISM-GOEBONIOSA-N -1 3 291.366 3.065 20 10 CGCDHM Cc1csc(CN[C@H](C)c2ccc(F)cc2[O-])n1 ZINC000062747903 526360157 /nfs/dbraw/zinc/36/01/57/526360157.db2.gz DRDKOYRPGDVJSF-SECBINFHSA-N -1 3 266.341 3.147 20 10 CGCDHM Cc1ncc(CNCc2c([O-])cccc2Cl)s1 ZINC000083552441 527272018 /nfs/dbraw/zinc/27/20/18/527272018.db2.gz ADFVWLOZZJWFEB-UHFFFAOYSA-N -1 3 268.769 3.100 20 10 CGCDHM CC(C)CCC[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000731867838 572433053 /nfs/dbraw/zinc/43/30/53/572433053.db2.gz YAPZNZPSOVDMFG-JTQLQIEISA-N -1 3 255.383 3.398 20 10 CGCDHM CCN(Cc1ccc(C)cc1)C(=O)c1cc([O-])cs1 ZINC000732267997 572456076 /nfs/dbraw/zinc/45/60/76/572456076.db2.gz BBRYMVSVTUELSZ-UHFFFAOYSA-N -1 3 275.373 3.424 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000732278573 572457940 /nfs/dbraw/zinc/45/79/40/572457940.db2.gz QCEUFZPCAKNKQX-ZYANWLCNSA-N -1 3 277.389 3.104 20 10 CGCDHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732286758 572459083 /nfs/dbraw/zinc/45/90/83/572459083.db2.gz JEBZCQPCYVSRAQ-GHMZBOCLSA-N -1 3 267.394 3.398 20 10 CGCDHM Cc1cccc([C@@H](C)CNC(=O)c2cc([O-])cs2)c1 ZINC000741305132 572492055 /nfs/dbraw/zinc/49/20/55/572492055.db2.gz YXLYVNOFJUAGGG-NSHDSACASA-N -1 3 275.373 3.296 20 10 CGCDHM O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1cc([O-])cs1 ZINC000743655578 572677035 /nfs/dbraw/zinc/67/70/35/572677035.db2.gz UNFHAPMOFXPMGD-NEPJUHHUSA-N -1 3 265.378 3.152 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN[C@@H](CO)c1ccc(F)cc1 ZINC000734850479 572688029 /nfs/dbraw/zinc/68/80/29/572688029.db2.gz KZYFCOSSLVTDFC-AWEZNQCLSA-N -1 3 295.741 3.008 20 10 CGCDHM CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000735704128 572738311 /nfs/dbraw/zinc/73/83/11/572738311.db2.gz QFLJNXVOYZHYRB-GXFFZTMASA-N -1 3 297.420 3.025 20 10 CGCDHM CCc1ccccc1S(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC000187578797 618126524 /nfs/dbraw/zinc/12/65/24/618126524.db2.gz OWVXGSDOQJOQKS-UHFFFAOYSA-N -1 3 291.372 3.064 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2Cc3ccccc3C2)c1[O-] ZINC000050911699 618161407 /nfs/dbraw/zinc/16/14/07/618161407.db2.gz NCMXAIYYDWJXBV-UHFFFAOYSA-N -1 3 285.318 3.250 20 10 CGCDHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000040214804 618939568 /nfs/dbraw/zinc/93/95/68/618939568.db2.gz KEJNATPWPQCPIX-UHFFFAOYSA-N -1 3 291.372 3.146 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@H](C2CCC2)C1 ZINC000840954849 619260481 /nfs/dbraw/zinc/26/04/81/619260481.db2.gz MJOWWOQXWXRIKX-HNNXBMFYSA-N -1 3 281.783 3.047 20 10 CGCDHM COc1cccc(CN(C)Cc2cc(F)cc(F)c2[O-])c1 ZINC000893881085 619326672 /nfs/dbraw/zinc/32/66/72/619326672.db2.gz UBLAHGSXKOEPQR-UHFFFAOYSA-N -1 3 293.313 3.311 20 10 CGCDHM Cc1cc([O-])c(CN2CC[C@H]2C(F)F)cc1Cl ZINC000895430483 619825105 /nfs/dbraw/zinc/82/51/05/619825105.db2.gz FOWVGTCBAPUBIV-JTQLQIEISA-N -1 3 261.699 3.193 20 10 CGCDHM CC(C)c1nnc(NCc2c([O-])cccc2F)s1 ZINC000895832171 619894484 /nfs/dbraw/zinc/89/44/84/619894484.db2.gz CZTCKQBEWCWYTJ-UHFFFAOYSA-N -1 3 267.329 3.118 20 10 CGCDHM O=C(Nc1ccccc1OCC1CC1)c1cccc(O)c1[O-] ZINC000185721052 625423796 /nfs/dbraw/zinc/42/37/96/625423796.db2.gz WKJDRNUNNGPEOV-UHFFFAOYSA-N -1 3 299.326 3.139 20 10 CGCDHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000045929086 622907367 /nfs/dbraw/zinc/90/73/67/622907367.db2.gz XHYLPSXQAFDCTP-UHFFFAOYSA-N -1 3 291.372 3.118 20 10 CGCDHM CC(C)N(CC(=O)OC(C)(C)C)Cc1cc(F)ccc1[O-] ZINC000180206801 624728565 /nfs/dbraw/zinc/72/85/65/624728565.db2.gz MPYGTMXZJJYFHC-UHFFFAOYSA-N -1 3 297.370 3.083 20 10 CGCDHM CC[C@@H](C)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000755943503 626663131 /nfs/dbraw/zinc/66/31/31/626663131.db2.gz JHMZOTNYKKFRFJ-LLVKDONJSA-N -1 3 299.798 3.067 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCCSCC1 ZINC000757877151 626811856 /nfs/dbraw/zinc/81/18/56/626811856.db2.gz VVWALPSJRIBMLX-UHFFFAOYSA-N -1 3 275.776 3.124 20 10 CGCDHM CCOC(=O)[C@@H](NCc1cc(Cl)ccc1[O-])C(C)(C)C ZINC000768524145 627484001 /nfs/dbraw/zinc/48/40/01/627484001.db2.gz KTNHSCGMSPXBJR-CYBMUJFWSA-N -1 3 299.798 3.113 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H](c2ccco2)C1 ZINC000769544102 627564504 /nfs/dbraw/zinc/56/45/04/627564504.db2.gz UEDVBVXGGSPRBP-OAHLLOKOSA-N -1 3 293.750 3.212 20 10 CGCDHM CC[C@H](NCc1nnc(C)s1)c1cc(Cl)ccc1[O-] ZINC000775546633 628105679 /nfs/dbraw/zinc/10/56/79/628105679.db2.gz KJZYFFKWXKYYPA-NSHDSACASA-N -1 3 297.811 3.446 20 10 CGCDHM COc1ccc2c(c1)CCN2Cc1c(F)ccc([O-])c1F ZINC000788843279 629085885 /nfs/dbraw/zinc/08/58/85/629085885.db2.gz NEDPZSURKLOYSH-UHFFFAOYSA-N -1 3 291.297 3.242 20 10 CGCDHM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000790646573 629222669 /nfs/dbraw/zinc/22/26/69/629222669.db2.gz NOGBLMJIJXNVOA-VXGBXAGGSA-N -1 3 277.364 3.042 20 10 CGCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H]2CCCC[C@H]12 ZINC000790861891 629238334 /nfs/dbraw/zinc/23/83/34/629238334.db2.gz NOOMNADBZKEVLR-BZPMIXESSA-N -1 3 289.375 3.139 20 10 CGCDHM COc1cccc2c1CN(Cc1cc(F)ccc1[O-])C2 ZINC000862528824 629391614 /nfs/dbraw/zinc/39/16/14/629391614.db2.gz CVAGSWMGTULHGL-UHFFFAOYSA-N -1 3 273.307 3.056 20 10 CGCDHM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000807886463 630604942 /nfs/dbraw/zinc/60/49/42/630604942.db2.gz RRIZWVLGZLTNAT-VXGBXAGGSA-N -1 3 291.391 3.385 20 10 CGCDHM CC(C)CC1(C)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000811531766 631084809 /nfs/dbraw/zinc/08/48/09/631084809.db2.gz DHFNMXAHRDPVQZ-UHFFFAOYSA-N -1 3 291.391 3.386 20 10 CGCDHM Cc1cc(CNCc2c([O-])ccc(Cl)c2F)cc(C)n1 ZINC000817411662 632142282 /nfs/dbraw/zinc/14/22/82/632142282.db2.gz UCTNVTWGOVRYCZ-UHFFFAOYSA-N -1 3 294.757 3.486 20 10 CGCDHM Cc1ccccc1C(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000818330342 632307646 /nfs/dbraw/zinc/30/76/46/632307646.db2.gz BICCDZHRSIHBEH-UHFFFAOYSA-N -1 3 285.343 3.071 20 10 CGCDHM COC[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000825294631 633342802 /nfs/dbraw/zinc/34/28/02/633342802.db2.gz URSASZMJLCEXKX-GFCCVEGCSA-N -1 3 287.762 3.186 20 10 CGCDHM C[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1cscn1 ZINC000826972708 633446384 /nfs/dbraw/zinc/44/63/84/633446384.db2.gz LFTQIUJAZBACBO-SSDOTTSWSA-N -1 3 286.759 3.492 20 10 CGCDHM CCn1ccnc1[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834894585 634272414 /nfs/dbraw/zinc/27/24/14/634272414.db2.gz LLYIEAGRPVGMNN-NXEZZACHSA-N -1 3 295.333 3.299 20 10 CGCDHM CCCc1ncc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])o1 ZINC000834898506 634275567 /nfs/dbraw/zinc/27/55/67/634275567.db2.gz FKPMKSOUTDSNLA-VIFPVBQESA-N -1 3 296.317 3.462 20 10 CGCDHM Cc1cc([C@H](C)NC(=O)c2cccc(O)c2[O-])c(C)s1 ZINC000126311195 634959367 /nfs/dbraw/zinc/95/93/67/634959367.db2.gz XPDATOZAMHCQNO-VIFPVBQESA-N -1 3 291.372 3.267 20 10 CGCDHM C[C@@H](c1cccnc1)N(C)Cc1ccc(F)c(F)c1[O-] ZINC000877317282 635024111 /nfs/dbraw/zinc/02/41/11/635024111.db2.gz IBPVCPCXGCUOLJ-JTQLQIEISA-N -1 3 278.302 3.258 20 10 CGCDHM Cc1cc([O-])c(CN(C)Cc2ccc[nH]2)c(Cl)c1 ZINC000840919219 635083241 /nfs/dbraw/zinc/08/32/41/635083241.db2.gz YIGXLSKBIZOERI-UHFFFAOYSA-N -1 3 264.756 3.314 20 10 CGCDHM COc1cc(C)ccc1CNCc1cc(F)cc(F)c1[O-] ZINC000883039327 636517913 /nfs/dbraw/zinc/51/79/13/636517913.db2.gz KUFUXRCGVSZKIG-UHFFFAOYSA-N -1 3 293.313 3.277 20 10 CGCDHM COc1cc(N[C@@H](C)c2c([O-])cccc2F)cnc1OC ZINC000886641763 637624184 /nfs/dbraw/zinc/62/41/84/637624184.db2.gz RIARERWVPQTINO-VIFPVBQESA-N -1 3 292.310 3.117 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1CC1CCC1 ZINC000856271727 638331231 /nfs/dbraw/zinc/33/12/31/638331231.db2.gz LQJNDGSGVADRTA-CYBMUJFWSA-N -1 3 289.375 3.283 20 10 CGCDHM CCC1(CNC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC001138077695 803848200 /nfs/dbraw/zinc/84/82/00/803848200.db2.gz WVZVICGAXDIFJG-UHFFFAOYSA-N -1 3 277.364 3.188 20 10 CGCDHM CN(Cc1cccc(F)c1[O-])Cc1cccc(F)c1F ZINC001138129730 803864191 /nfs/dbraw/zinc/86/41/91/803864191.db2.gz TYZVCPNXEBUJAZ-UHFFFAOYSA-N -1 3 281.277 3.442 20 10 CGCDHM C[C@H]1C(=O)CCN(Cc2cccc(F)c2[O-])C12CCCC2 ZINC001138130946 803866580 /nfs/dbraw/zinc/86/65/80/803866580.db2.gz LYZDUFXPTCLCGW-LBPRGKRZSA-N -1 3 291.366 3.255 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CCC[C@@H]1c1cnccn1 ZINC001140341225 804420632 /nfs/dbraw/zinc/42/06/32/804420632.db2.gz DZZYZNBTUGMTIW-CQSZACIVSA-N -1 3 289.766 3.173 20 10 CGCDHM C[C@@]1(F)CCCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140462890 804441126 /nfs/dbraw/zinc/44/11/26/804441126.db2.gz NKIGFRTUIPKLGT-CYBMUJFWSA-N -1 3 257.736 3.370 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@H]1c1ccccn1 ZINC001142520913 804730566 /nfs/dbraw/zinc/73/05/66/804730566.db2.gz RJQRBPKYCQZAPM-HNNXBMFYSA-N -1 3 290.313 3.403 20 10 CGCDHM CC[C@@H](NC(=O)NCc1c([O-])cccc1F)C1CCCC1 ZINC001248684486 804966732 /nfs/dbraw/zinc/96/67/32/804966732.db2.gz ACICQASIOHOBRC-CQSZACIVSA-N -1 3 294.370 3.299 20 10 CGCDHM O=C(Nc1cccc2cc(O)ccc21)c1cccc(O)c1[O-] ZINC001148218988 805168103 /nfs/dbraw/zinc/16/81/03/805168103.db2.gz QHJCHDHJARFVEX-UHFFFAOYSA-N -1 3 295.294 3.209 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](C2CCCC2)C1 ZINC001264009016 808027199 /nfs/dbraw/zinc/02/71/99/808027199.db2.gz HQHKTYQXMOQGHK-ZDUSSCGKSA-N -1 3 289.375 3.140 20 10 CGCDHM O=C(Nc1ccc(-c2cnco2)cc1)c1cccc(O)c1[O-] ZINC001291765489 809423834 /nfs/dbraw/zinc/42/38/34/809423834.db2.gz BMYWEGOSEFUPRQ-UHFFFAOYSA-N -1 3 296.282 3.005 20 10 CGCDHM Cc1ccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c(C)c1 ZINC001215327790 815507152 /nfs/dbraw/zinc/50/71/52/815507152.db2.gz TTZABFGSWUBMIE-UHFFFAOYSA-N -1 3 298.298 3.137 20 10 CGCDHM CC[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1[O-] ZINC001204156443 812558332 /nfs/dbraw/zinc/55/83/32/812558332.db2.gz CHGLVOCFXZSDCS-UHFFFAOYSA-N -1 3 285.343 3.113 20 10 CGCDHM CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1[O-] ZINC001204156443 812558337 /nfs/dbraw/zinc/55/83/37/812558337.db2.gz CHGLVOCFXZSDCS-UHFFFAOYSA-N -1 3 285.343 3.113 20 10 CGCDHM O=C([O-])c1ccc(C[N@H+](Cc2ccccc2)C2CC2)c([O-])c1 ZINC001231454667 818102970 /nfs/dbraw/zinc/10/29/70/818102970.db2.gz HTUUQOQFWNYWTB-UHFFFAOYSA-N -1 3 297.354 3.255 20 10 CGCDHM O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2)C2CC2)c([O-])c1 ZINC001231454667 818102973 /nfs/dbraw/zinc/10/29/73/818102973.db2.gz HTUUQOQFWNYWTB-UHFFFAOYSA-N -1 3 297.354 3.255 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC001231565480 818123799 /nfs/dbraw/zinc/12/37/99/818123799.db2.gz XXYJVJCEXAQRFO-WFASDCNBSA-N -1 3 289.375 3.245 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC001231565480 818123801 /nfs/dbraw/zinc/12/38/01/818123801.db2.gz XXYJVJCEXAQRFO-WFASDCNBSA-N -1 3 289.375 3.245 20 10 CGCDHM Cc1ccc(CN(C)Cc2cccc(Cl)c2[O-])cn1 ZINC001231914470 818212369 /nfs/dbraw/zinc/21/23/69/818212369.db2.gz MAOSDQQNHWSUOG-UHFFFAOYSA-N -1 3 276.767 3.381 20 10 CGCDHM CN(Cc1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233331946 818583145 /nfs/dbraw/zinc/58/31/45/818583145.db2.gz RKGRVXCJPYZHAH-UHFFFAOYSA-N -1 3 263.287 3.302 20 10 CGCDHM C[C@@H]1C[C@H](O)CCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236798106 819600655 /nfs/dbraw/zinc/60/06/55/819600655.db2.gz GSPICCIJOZJITJ-PSASIEDQSA-N -1 3 290.190 3.044 20 10 CGCDHM COCC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237808959 819848482 /nfs/dbraw/zinc/84/84/82/819848482.db2.gz WYAJJSCVMKQJSR-UHFFFAOYSA-N -1 3 287.762 3.043 20 10 CGCDHM CN(Cc1ccoc1)Cc1c([O-])cccc1Br ZINC001474362201 937853806 /nfs/dbraw/zinc/85/38/06/937853806.db2.gz MCXOFVXXGQFFEU-UHFFFAOYSA-N -1 3 296.164 3.380 20 10 CGCDHM Cc1coc(C(=O)[N-]c2c3nonc3ccc2Cl)c1 ZINC001459787181 937500456 /nfs/dbraw/zinc/50/04/56/937500456.db2.gz BKTONWNDMCAGNQ-UHFFFAOYSA-N -1 3 277.667 3.030 20 10 CGCDHM O=C(NCc1c(O)ccc2ccccc21)c1ccccc1[O-] ZINC001304089968 932842381 /nfs/dbraw/zinc/84/23/81/932842381.db2.gz STRMCJFVBKQRNE-UHFFFAOYSA-N -1 3 293.322 3.181 20 10 CGCDHM CCCC1(CNC(=O)NCc2c([O-])cccc2F)CCC1 ZINC001312290656 933349898 /nfs/dbraw/zinc/34/98/98/933349898.db2.gz BYAAOYUTDKUYIA-UHFFFAOYSA-N -1 3 294.370 3.301 20 10 CGCDHM Cc1occc1CN(C)Cc1cc(F)cc(F)c1[O-] ZINC001333704630 936057342 /nfs/dbraw/zinc/05/73/42/936057342.db2.gz ZGYOHXGICCPUDI-UHFFFAOYSA-N -1 3 267.275 3.204 20 10 CGCDHM [O-]c1cccc(F)c1CNc1nc(C2CC2)nc2[nH]ccc21 ZINC001337998446 936302276 /nfs/dbraw/zinc/30/22/76/936302276.db2.gz YKFFKIQKAJFOPD-UHFFFAOYSA-N -1 3 298.321 3.292 20 10 CGCDHM CC(C)CC1(CNC(=O)NCc2c([O-])cccc2F)CC1 ZINC001478194166 937902964 /nfs/dbraw/zinc/90/29/64/937902964.db2.gz OCLXXDDZKHVOIQ-UHFFFAOYSA-N -1 3 294.370 3.157 20 10 CGCDHM Cc1cc(Cl)cc(C[N@H+](CC(=O)[O-])C2CCCC2)c1[O-] ZINC001600218852 960545400 /nfs/dbraw/zinc/54/54/00/960545400.db2.gz CMDLGNZBWXLOAC-UHFFFAOYSA-N -1 3 297.782 3.183 20 10 CGCDHM Cc1cc(Cl)cc(C[N@@H+](CC(=O)[O-])C2CCCC2)c1[O-] ZINC001600218852 960545416 /nfs/dbraw/zinc/54/54/16/960545416.db2.gz CMDLGNZBWXLOAC-UHFFFAOYSA-N -1 3 297.782 3.183 20 10 CGCDHM C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593258301 994541134 /nfs/dbraw/zinc/54/11/34/994541134.db2.gz ZRZXSISVKJWRTD-BXUZGUMPSA-N -1 3 297.354 3.081 20 10 CGCDHM CC(C)(C)OC(=O)NCc1cc(Cl)ccc1[O-] ZINC000090636360 180017243 /nfs/dbraw/zinc/01/72/43/180017243.db2.gz IEXNKDQSZTYMTI-UHFFFAOYSA-N -1 3 257.717 3.070 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000160245057 372230241 /nfs/dbraw/zinc/23/02/41/372230241.db2.gz NKDAUMLFLSWREC-SNVBAGLBSA-N -1 3 277.261 3.306 20 10 CGCDHM CO[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](C)C1 ZINC000294743625 372670796 /nfs/dbraw/zinc/67/07/96/372670796.db2.gz QYKLCZMCYWCMBN-ONGXEEELSA-N -1 3 287.762 3.184 20 10 CGCDHM CO[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@H](C)C1 ZINC000294743607 372670978 /nfs/dbraw/zinc/67/09/78/372670978.db2.gz QYKLCZMCYWCMBN-KOLCDFICSA-N -1 3 287.762 3.184 20 10 CGCDHM COC[C@@]1(C)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295135142 372694933 /nfs/dbraw/zinc/69/49/33/372694933.db2.gz PBHIHGYFKYHYHK-AWEZNQCLSA-N -1 3 287.762 3.043 20 10 CGCDHM CCn1cc([C@H](C)N[C@@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000295822802 372922920 /nfs/dbraw/zinc/92/29/20/372922920.db2.gz BZHKHLBXMJQMNE-UWVGGRQHSA-N -1 3 295.333 3.299 20 10 CGCDHM CC[C@@H](NCc1nnc(C(C)C)[nH]1)c1ccc(F)cc1[O-] ZINC000296645204 373205612 /nfs/dbraw/zinc/20/56/12/373205612.db2.gz YJPHNEXPKXWCJM-GFCCVEGCSA-N -1 3 292.358 3.014 20 10 CGCDHM COCCN(Cc1ccc(C)o1)Cc1cc(F)ccc1[O-] ZINC000180209908 373979147 /nfs/dbraw/zinc/97/91/47/373979147.db2.gz AHKVIGQEHRMGKY-UHFFFAOYSA-N -1 3 293.338 3.081 20 10 CGCDHM Cc1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c([O-])c1O ZINC000181816554 374175942 /nfs/dbraw/zinc/17/59/42/374175942.db2.gz BXAHIIFMJUZYQQ-GXTWGEPZSA-N -1 3 289.375 3.201 20 10 CGCDHM Cc1ccc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)c([O-])c1O ZINC000181897610 374188368 /nfs/dbraw/zinc/18/83/68/374188368.db2.gz PBJBMEDDIVIEFJ-JQWIXIFHSA-N -1 3 277.364 3.057 20 10 CGCDHM Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C)c([O-])c1O ZINC000182394786 374267555 /nfs/dbraw/zinc/26/75/55/374267555.db2.gz DMTLZLGKNWZQQI-LBPRGKRZSA-N -1 3 297.354 3.166 20 10 CGCDHM CN(CCCCc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000192986973 375812317 /nfs/dbraw/zinc/81/23/17/375812317.db2.gz UIYUDPBEQZFDEF-UHFFFAOYSA-N -1 3 299.370 3.193 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC(Cc2ccco2)C1 ZINC000529648393 375931795 /nfs/dbraw/zinc/93/17/95/375931795.db2.gz BIWUJJCZVXYQQP-UHFFFAOYSA-N -1 3 295.741 3.452 20 10 CGCDHM Cc1cc([C@@H]2CCCN2Cc2cc(F)ccc2[O-])no1 ZINC000371536956 379167588 /nfs/dbraw/zinc/16/75/88/379167588.db2.gz WHXSJBGEBVFTRZ-AWEZNQCLSA-N -1 3 276.311 3.165 20 10 CGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2C2CC2)c1[O-] ZINC000371859769 379178897 /nfs/dbraw/zinc/17/88/97/379178897.db2.gz YDPQFDSTXWYCDH-HNNXBMFYSA-N -1 3 277.339 3.108 20 10 CGCDHM O=C(NCCc1cccc(Cl)c1)c1cc([O-])cs1 ZINC000731864417 572430478 /nfs/dbraw/zinc/43/04/78/572430478.db2.gz UVKQGLXUGAXQIM-UHFFFAOYSA-N -1 3 281.764 3.080 20 10 CGCDHM O=C(OCc1cccc(F)c1F)c1cc([O-])cs1 ZINC000731910204 572435671 /nfs/dbraw/zinc/43/56/71/572435671.db2.gz OJHLWIOISUFMAG-UHFFFAOYSA-N -1 3 270.256 3.089 20 10 CGCDHM Cc1cc(NC(=O)c2cc([O-])cs2)ccc1N(C)C ZINC000732271299 572455525 /nfs/dbraw/zinc/45/55/25/572455525.db2.gz FYHKCISNHICAHJ-UHFFFAOYSA-N -1 3 276.361 3.080 20 10 CGCDHM C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1cc(Cl)ccc1[O-] ZINC000363866764 382259931 /nfs/dbraw/zinc/25/99/31/382259931.db2.gz PGGUNZRGEGBLEW-NOZJJQNGSA-N -1 3 291.782 3.497 20 10 CGCDHM C[C@@H](N[C@H](CCO)c1ccco1)c1cc(Cl)ccc1[O-] ZINC000186558668 262098858 /nfs/dbraw/zinc/09/88/58/262098858.db2.gz CRPWLENWWKRMGF-ZWNOBZJWSA-N -1 3 295.766 3.413 20 10 CGCDHM CC1(C)CN(Cc2cccc(Cl)c2[O-])[C@H]1[C@H]1CCCO1 ZINC000291700910 281246774 /nfs/dbraw/zinc/24/67/74/281246774.db2.gz ZBEQVPBDGSRXIB-HIFRSBDPSA-N -1 3 295.810 3.435 20 10 CGCDHM CC(=O)c1cc(F)cc(CN(CC(F)F)C(C)C)c1[O-] ZINC000135406787 334128940 /nfs/dbraw/zinc/12/89/40/334128940.db2.gz ZAVIHRCEBKWNKF-UHFFFAOYSA-N -1 3 289.297 3.209 20 10 CGCDHM CC(C)(C)c1cnc(CNCc2ccccc2[O-])s1 ZINC000279058868 519072693 /nfs/dbraw/zinc/07/26/93/519072693.db2.gz FCDWZLPYLGKPMD-UHFFFAOYSA-N -1 3 276.405 3.436 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ccsc1 ZINC000280050225 526771439 /nfs/dbraw/zinc/77/14/39/526771439.db2.gz GHOFZAYTZZWMPS-LBPRGKRZSA-N -1 3 289.356 3.137 20 10 CGCDHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc([O-])cs1 ZINC000732278197 572458260 /nfs/dbraw/zinc/45/82/60/572458260.db2.gz WSJPNVWGBZDLLJ-NXEZZACHSA-N -1 3 253.367 3.010 20 10 CGCDHM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cc([O-])cs2)c1 ZINC000743715853 572680328 /nfs/dbraw/zinc/68/03/28/572680328.db2.gz DNDBICVTCLEKNW-GFCCVEGCSA-N -1 3 289.400 3.432 20 10 CGCDHM CCC(CC)[C@H](CCNC(=O)c1cc([O-])cs1)OC ZINC000747618379 572936947 /nfs/dbraw/zinc/93/69/47/572936947.db2.gz WMYDNGIBUHFZJH-LBPRGKRZSA-N -1 3 285.409 3.025 20 10 CGCDHM CCCCCn1nc(C)cc1NC(=O)c1cc([O-])cs1 ZINC000748858717 572986939 /nfs/dbraw/zinc/98/69/39/572986939.db2.gz CBGOUDSQYLCIMR-UHFFFAOYSA-N -1 3 293.392 3.401 20 10 CGCDHM O=C([O-])[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000833772422 604530097 /nfs/dbraw/zinc/53/00/97/604530097.db2.gz GMUIOPWBGCTQSA-MRXNPFEDSA-N -1 3 297.354 3.108 20 10 CGCDHM O=C([O-])[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000833772422 604530101 /nfs/dbraw/zinc/53/01/01/604530101.db2.gz GMUIOPWBGCTQSA-MRXNPFEDSA-N -1 3 297.354 3.108 20 10 CGCDHM C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000286197434 617627517 /nfs/dbraw/zinc/62/75/17/617627517.db2.gz BLZKYGBRJSOPTD-IUODEOHRSA-N -1 3 297.354 3.321 20 10 CGCDHM COc1ccc(N(C)Cc2ccc([O-])c(F)c2)cc1OC ZINC000893574021 619226773 /nfs/dbraw/zinc/22/67/73/619226773.db2.gz SZKCOTSVYCSRTR-UHFFFAOYSA-N -1 3 291.322 3.185 20 10 CGCDHM CC(C)(C)c1cc(NCc2c([O-])cccc2F)ncn1 ZINC000895833369 619894202 /nfs/dbraw/zinc/89/42/02/619894202.db2.gz WBWIUUMGWLTULI-UHFFFAOYSA-N -1 3 275.327 3.231 20 10 CGCDHM [O-]c1c(CN2CCC(F)(C3CC3)CC2)ccc(F)c1F ZINC000896945661 620110350 /nfs/dbraw/zinc/11/03/50/620110350.db2.gz FQXTZINLMZGMHE-UHFFFAOYSA-N -1 3 285.309 3.385 20 10 CGCDHM CC(C)(C)c1coc(CNCc2cc(F)ccc2[O-])n1 ZINC000897944788 620453511 /nfs/dbraw/zinc/45/35/11/620453511.db2.gz SWKBLHPYRSKZLY-UHFFFAOYSA-N -1 3 278.327 3.107 20 10 CGCDHM C[C@@H](N[C@H](c1ncccn1)C1CC1)c1ccc(F)cc1[O-] ZINC000903325936 621699772 /nfs/dbraw/zinc/69/97/72/621699772.db2.gz JIBDLIXCVOAVPN-BMIGLBTASA-N -1 3 287.338 3.123 20 10 CGCDHM Cc1nc(CN[C@@H](C)c2ccc(F)cc2[O-])cs1 ZINC000062748076 623266093 /nfs/dbraw/zinc/26/60/93/623266093.db2.gz KNEWUXVBVBRILJ-QMMMGPOBSA-N -1 3 266.341 3.147 20 10 CGCDHM COc1ccc(CN(C)Cc2cccc(Cl)c2[O-])cn1 ZINC000757917624 626813946 /nfs/dbraw/zinc/81/39/46/626813946.db2.gz LPDNDHBOFXPHBT-UHFFFAOYSA-N -1 3 292.766 3.081 20 10 CGCDHM CN(Cc1cccn1C)Cc1cccc(Cl)c1[O-] ZINC000775714587 628128437 /nfs/dbraw/zinc/12/84/37/628128437.db2.gz UDTDGQGUODDADC-UHFFFAOYSA-N -1 3 264.756 3.016 20 10 CGCDHM Cc1ccc(C[C@H](C)NC(=O)c2cccc(O)c2[O-])c(C)c1 ZINC000776649163 628224208 /nfs/dbraw/zinc/22/42/08/628224208.db2.gz BMTCQUUYJPMPCY-ZDUSSCGKSA-N -1 3 299.370 3.076 20 10 CGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@H]1CCO ZINC000779202607 628394498 /nfs/dbraw/zinc/39/44/98/628394498.db2.gz QGBXFMZUUNJRMQ-NSHDSACASA-N -1 3 290.190 3.046 20 10 CGCDHM CC[C@H](NCc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000786836215 628966614 /nfs/dbraw/zinc/96/66/14/628966614.db2.gz KRKVKJAZFDOHME-JTQLQIEISA-N -1 3 267.678 3.476 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCOc2cc(F)ccc2C1 ZINC000862549701 629400745 /nfs/dbraw/zinc/40/07/45/629400745.db2.gz CVSQBRKAXINUKI-UHFFFAOYSA-N -1 3 291.297 3.065 20 10 CGCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](C2CC2)O1 ZINC000793219891 629430339 /nfs/dbraw/zinc/43/03/39/629430339.db2.gz PJMUCRVACHITAB-MEBBXXQBSA-N -1 3 281.783 3.045 20 10 CGCDHM CN(C(=O)c1cccc(O)c1[O-])C(C)(C)c1ccccc1 ZINC000803617770 630489683 /nfs/dbraw/zinc/48/96/83/630489683.db2.gz KOHPVJZTYUSQNY-UHFFFAOYSA-N -1 3 285.343 3.105 20 10 CGCDHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(O)c1[O-])CCC2 ZINC000807897999 630604594 /nfs/dbraw/zinc/60/45/94/630604594.db2.gz NLQNXQUXSGLRBO-HNNXBMFYSA-N -1 3 297.354 3.214 20 10 CGCDHM CCOC(=O)CN(Cc1ccc2ccccc2c1[O-])C1CC1 ZINC000816491331 631992658 /nfs/dbraw/zinc/99/26/58/631992658.db2.gz IMIASQRNYJZIFK-UHFFFAOYSA-N -1 3 299.370 3.073 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC(C2CCOCC2)C1 ZINC000816599917 632021644 /nfs/dbraw/zinc/02/16/44/632021644.db2.gz DGMDMUDMAIFYJZ-UHFFFAOYSA-N -1 3 299.773 3.043 20 10 CGCDHM Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000817880836 632229546 /nfs/dbraw/zinc/22/95/46/632229546.db2.gz JREJPLNTUVQXTJ-MNOVXSKESA-N -1 3 297.782 3.039 20 10 CGCDHM Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000817880836 632229551 /nfs/dbraw/zinc/22/95/51/632229551.db2.gz JREJPLNTUVQXTJ-MNOVXSKESA-N -1 3 297.782 3.039 20 10 CGCDHM CC(C)c1ccc(C(=O)N2Cc3cccc(O)c3C2)c([O-])c1 ZINC000871203414 633723817 /nfs/dbraw/zinc/72/38/17/633723817.db2.gz LLRMICYPMTXVDH-UHFFFAOYSA-N -1 3 297.354 3.377 20 10 CGCDHM Cc1nccnc1[C@@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000873186769 634274547 /nfs/dbraw/zinc/27/45/47/634274547.db2.gz FGWIBBKSPNURLB-SECBINFHSA-N -1 3 295.745 3.134 20 10 CGCDHM CC(C)[C@H]1N(C(=O)c2cccc(O)c2[O-])CC12CCCC2 ZINC000837193035 634869027 /nfs/dbraw/zinc/86/90/27/634869027.db2.gz YLHIIXRCVPTBPQ-OAHLLOKOSA-N -1 3 289.375 3.139 20 10 CGCDHM CC(C)N(Cc1ccccn1)Cc1ccc(F)c(F)c1[O-] ZINC000876623952 634869681 /nfs/dbraw/zinc/86/96/81/634869681.db2.gz CPXZTUSSZGKNPV-UHFFFAOYSA-N -1 3 292.329 3.476 20 10 CGCDHM CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(O)c1[O-] ZINC000126281316 634950478 /nfs/dbraw/zinc/95/04/78/634950478.db2.gz FZBMGXUAYAAAIS-UHFFFAOYSA-N -1 3 291.734 3.023 20 10 CGCDHM C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877486036 635056092 /nfs/dbraw/zinc/05/60/92/635056092.db2.gz CLPNSUHTKFRPHH-VXNVDRBHSA-N -1 3 295.251 3.443 20 10 CGCDHM CC(C)O[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000843413440 635661157 /nfs/dbraw/zinc/66/11/57/635661157.db2.gz JJUUFULKITYMCZ-LLVKDONJSA-N -1 3 287.762 3.184 20 10 CGCDHM C[C@@H]1Oc2ccccc2[C@@H]1NCc1cc(F)cc(F)c1[O-] ZINC000883121726 636546904 /nfs/dbraw/zinc/54/69/04/636546904.db2.gz QJYLGSUCDZLHFT-BJOHPYRUSA-N -1 3 291.297 3.282 20 10 CGCDHM C[C@H]1Oc2ccccc2[C@@H]1NCc1cc(F)cc(F)c1[O-] ZINC000883121728 636546959 /nfs/dbraw/zinc/54/69/59/636546959.db2.gz QJYLGSUCDZLHFT-RFAUZJTJSA-N -1 3 291.297 3.282 20 10 CGCDHM CC[C@H](N[C@H](C)c1nccn1C)c1ccc(F)cc1[O-] ZINC000850571873 637129409 /nfs/dbraw/zinc/12/94/09/637129409.db2.gz DGTIKSVVNLAJED-MFKMUULPSA-N -1 3 277.343 3.067 20 10 CGCDHM CCc1noc(CC)c1CN[C@@H](C)c1c([O-])cccc1F ZINC000886539459 637564214 /nfs/dbraw/zinc/56/42/14/637564214.db2.gz ZWRVROZCDPTVFN-JTQLQIEISA-N -1 3 292.354 3.495 20 10 CGCDHM C[C@H](Nc1cnn(CC2CC2)c1)c1c([O-])cccc1F ZINC000886578037 637587791 /nfs/dbraw/zinc/58/77/91/637587791.db2.gz HBWURBGGAQYBTB-JTQLQIEISA-N -1 3 275.327 3.311 20 10 CGCDHM CCc1noc(C)c1CN[C@@H](C)c1c([O-])cccc1F ZINC000886614358 637606833 /nfs/dbraw/zinc/60/68/33/637606833.db2.gz UVPZMGUJPKKIJE-VIFPVBQESA-N -1 3 278.327 3.241 20 10 CGCDHM CCc1nc(C)c(CN[C@@H](C)c2c([O-])cccc2F)o1 ZINC000886614077 637606949 /nfs/dbraw/zinc/60/69/49/637606949.db2.gz MUQGVSLZTVHNIL-JTQLQIEISA-N -1 3 278.327 3.241 20 10 CGCDHM C[C@@H](N[C@@H](C)c1c([O-])cccc1F)c1cscn1 ZINC000886636904 637623176 /nfs/dbraw/zinc/62/31/76/637623176.db2.gz XQVZEOZARYXSGL-BDAKNGLRSA-N -1 3 266.341 3.400 20 10 CGCDHM C[C@@H](N[C@H](C)c1c([O-])cccc1F)c1cscn1 ZINC000886636907 637623538 /nfs/dbraw/zinc/62/35/38/637623538.db2.gz XQVZEOZARYXSGL-RKDXNWHRSA-N -1 3 266.341 3.400 20 10 CGCDHM CCC(CC)[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928704570 638889399 /nfs/dbraw/zinc/88/93/99/638889399.db2.gz CGVUIOVHPVKRKY-SNVBAGLBSA-N -1 3 267.344 3.220 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN(CC(F)F)C1CC1 ZINC000093276551 640764526 /nfs/dbraw/zinc/76/45/26/640764526.db2.gz CSKRJSAMDMTJHL-UHFFFAOYSA-N -1 3 261.699 3.275 20 10 CGCDHM CN(CCC(F)(F)F)Cc1cccc(Cl)c1[O-] ZINC000124572392 798997971 /nfs/dbraw/zinc/99/79/71/798997971.db2.gz UZCUGWBRNJQASK-UHFFFAOYSA-N -1 3 267.678 3.430 20 10 CGCDHM CCc1cc(NC(=O)c2cccc(O)c2[O-])ccc1C ZINC000380429077 799363761 /nfs/dbraw/zinc/36/37/61/799363761.db2.gz LVBTYVQUXGRDLL-UHFFFAOYSA-N -1 3 271.316 3.221 20 10 CGCDHM [O-]c1ccc(Br)cc1CNC1(C(F)F)CC1 ZINC000381495851 799379970 /nfs/dbraw/zinc/37/99/70/799379970.db2.gz BVOKVRHPYCJJKE-UHFFFAOYSA-N -1 3 292.123 3.042 20 10 CGCDHM C[C@@H](N[C@@H]1CCCC1(F)F)c1ccc(F)cc1[O-] ZINC000398189916 799528336 /nfs/dbraw/zinc/52/83/36/799528336.db2.gz MFDRBXRHJJHOIR-PRHODGIISA-N -1 3 259.271 3.370 20 10 CGCDHM C[C@H](NCc1ccc(Br)cc1[O-])C(F)(F)F ZINC000691477013 799784911 /nfs/dbraw/zinc/78/49/11/799784911.db2.gz QDHGJMOIMOKWDF-LURJTMIESA-N -1 3 298.102 3.195 20 10 CGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@@H](F)C1 ZINC000701673806 799892483 /nfs/dbraw/zinc/89/24/83/799892483.db2.gz MGBVPCLTCDBHNS-LLVKDONJSA-N -1 3 288.160 3.089 20 10 CGCDHM [O-]c1cc(Cl)ccc1CN1CC2(C1)C[C@H](F)CS2 ZINC001140466054 804443126 /nfs/dbraw/zinc/44/31/26/804443126.db2.gz VPKDHPRSICGCME-NSHDSACASA-N -1 3 287.787 3.075 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCc2ccsc2C1 ZINC001142524726 804731885 /nfs/dbraw/zinc/73/18/85/804731885.db2.gz IIBJRLPPUHOCDI-UHFFFAOYSA-N -1 3 281.327 3.290 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CNc1cccc(CCCO)c1 ZINC001180778042 810021952 /nfs/dbraw/zinc/02/19/52/810021952.db2.gz BASNICWLNFPRRT-UHFFFAOYSA-N -1 3 293.313 3.207 20 10 CGCDHM CC1(c2ccccc2)CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001183012335 810134440 /nfs/dbraw/zinc/13/44/40/810134440.db2.gz RAFBPRVIMWSJQR-UHFFFAOYSA-N -1 3 289.325 3.444 20 10 CGCDHM [O-]c1c(Cl)cccc1Nc1ccnc2cccnc21 ZINC001210220008 814347896 /nfs/dbraw/zinc/34/78/96/814347896.db2.gz UGBOWXTZHGURDJ-UHFFFAOYSA-N -1 3 271.707 3.154 20 10 CGCDHM O=C(NCCC1CCCCC1)NCc1c([O-])cccc1F ZINC001220758613 816299608 /nfs/dbraw/zinc/29/96/08/816299608.db2.gz PVJNZNYKRFJDJZ-UHFFFAOYSA-N -1 3 294.370 3.301 20 10 CGCDHM C[N@H+](C/C=C/c1ccccc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455618 818101865 /nfs/dbraw/zinc/10/18/65/818101865.db2.gz RXCSDXBWBHLXSB-VMPITWQZSA-N -1 3 297.354 3.236 20 10 CGCDHM C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455618 818101870 /nfs/dbraw/zinc/10/18/70/818101870.db2.gz RXCSDXBWBHLXSB-VMPITWQZSA-N -1 3 297.354 3.236 20 10 CGCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(CCCC3)CC2)c1 ZINC001231561345 818124366 /nfs/dbraw/zinc/12/43/66/818124366.db2.gz SOGXOWMPRBRTPR-UHFFFAOYSA-N -1 3 289.375 3.247 20 10 CGCDHM COc1cc([O-])c(CN2CCCC(F)(F)C2)cc1Cl ZINC001232266101 818296957 /nfs/dbraw/zinc/29/69/57/818296957.db2.gz QMZISCLVMLCZRB-UHFFFAOYSA-N -1 3 291.725 3.285 20 10 CGCDHM COc1cc([O-])c(CN2CCCC[C@@H](F)C2)cc1Cl ZINC001232264023 818297772 /nfs/dbraw/zinc/29/77/72/818297772.db2.gz CIIGFVDDQAQHKV-LLVKDONJSA-N -1 3 287.762 3.378 20 10 CGCDHM CC(=O)[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237083240 819664380 /nfs/dbraw/zinc/66/43/80/819664380.db2.gz ADFFHUHNSKKMIY-SECBINFHSA-N -1 3 288.174 3.110 20 10 CGCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@H]2CCCO[C@H]2C1 ZINC001237124950 819672697 /nfs/dbraw/zinc/67/26/97/819672697.db2.gz SWMBDEHYLXSBRO-YGRLFVJLSA-N -1 3 299.773 3.186 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@]2(C1)CCCCO2 ZINC001237616847 819787297 /nfs/dbraw/zinc/78/72/97/819787297.db2.gz IHACTTQFSLGOII-OAHLLOKOSA-N -1 3 299.773 3.330 20 10 CGCDHM CN(Cc1ccncc1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237808090 819847202 /nfs/dbraw/zinc/84/72/02/819847202.db2.gz QEHQGTQIOKYJKI-UHFFFAOYSA-N -1 3 280.730 3.212 20 10 CGCDHM [O-]c1cc(Cl)c(F)cc1CN1CCC(F)(F)CC1 ZINC001237946304 819891044 /nfs/dbraw/zinc/89/10/44/819891044.db2.gz IJOSNVXDACVVFC-UHFFFAOYSA-N -1 3 279.689 3.416 20 10 CGCDHM CCCc1ccc(C(=O)NCc2c([O-])cccc2F)s1 ZINC001456031440 937424610 /nfs/dbraw/zinc/42/46/10/937424610.db2.gz XGLXFFKVNQMXOV-UHFFFAOYSA-N -1 3 293.363 3.475 20 10 CGCDHM Cc1ccc2[nH]c(C(=O)NCc3c([O-])cccc3F)cc2c1 ZINC001303878167 932835890 /nfs/dbraw/zinc/83/58/90/932835890.db2.gz MLEKAFCJOOVTTC-UHFFFAOYSA-N -1 3 298.317 3.251 20 10 CGCDHM CC(C)[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CCS1 ZINC001308611663 933142200 /nfs/dbraw/zinc/14/22/00/933142200.db2.gz SXXOIKCFFVTKJY-AWEZNQCLSA-N -1 3 287.375 3.244 20 10 CGCDHM CC(C)(C)CCCC(=O)NCc1c([O-])cccc1F ZINC001471976425 937771419 /nfs/dbraw/zinc/77/14/19/937771419.db2.gz YSSUROOUPXCYSN-UHFFFAOYSA-N -1 3 267.344 3.364 20 10 CGCDHM CCOc1cc(C)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001544714041 938146493 /nfs/dbraw/zinc/14/64/93/938146493.db2.gz IUOPKNZPNAVXGB-UHFFFAOYSA-N -1 3 287.315 3.057 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N(c1ccccc1)C1CCC1 ZINC001557732552 938211674 /nfs/dbraw/zinc/21/16/74/938211674.db2.gz RLZXAXZDESKFCD-UHFFFAOYSA-N -1 3 283.327 3.297 20 10 CGCDHM O=C(/C=C/CCc1ccccc1)NCc1c([O-])cccc1F ZINC001558454744 938215582 /nfs/dbraw/zinc/21/55/82/938215582.db2.gz LNWRQZKJQRUJJD-LFYBBSHMSA-N -1 3 299.345 3.337 20 10 CGCDHM Cc1ccc(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])c([O-])c1 ZINC001594361559 958454154 /nfs/dbraw/zinc/45/41/54/958454154.db2.gz WMCCXFKKECYYGI-CYBMUJFWSA-N -1 3 279.380 3.070 20 10 CGCDHM C[C@@H](CNC(=O)NCc1c([O-])cccc1F)C(C)(C)C ZINC001565359692 960769314 /nfs/dbraw/zinc/76/93/14/960769314.db2.gz ORRSBHZUQBCDSX-JTQLQIEISA-N -1 3 282.359 3.013 20 10 CGCDHM CCC[C@H]1CCCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC001570340068 961949919 /nfs/dbraw/zinc/94/99/19/961949919.db2.gz TXSSPHMVCAGATP-STQMWFEESA-N -1 3 291.391 3.434 20 10 CGCDHM Cc1noc([C@@H]2CCCN2Cc2c([O-])cccc2Cl)n1 ZINC000289141813 371750344 /nfs/dbraw/zinc/75/03/44/371750344.db2.gz AIKZPRKLHXPHEB-LBPRGKRZSA-N -1 3 293.754 3.074 20 10 CGCDHM Cc1nnsc1CN[C@H](C)c1cc(Cl)ccc1[O-] ZINC000293770321 372474887 /nfs/dbraw/zinc/47/48/87/372474887.db2.gz SOYVXJYHPJVRJF-SSDOTTSWSA-N -1 3 283.784 3.056 20 10 CGCDHM C[C@H](N[C@@H](CO)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000169520474 372629115 /nfs/dbraw/zinc/62/91/15/372629115.db2.gz AOCYTOVTKNCQLT-NHYWBVRUSA-N -1 3 291.778 3.430 20 10 CGCDHM CCn1cc([C@H](C)NCc2cccc(Cl)c2[O-])cn1 ZINC000294756357 372669611 /nfs/dbraw/zinc/66/96/11/372669611.db2.gz DRILUNJZOWEXPS-JTQLQIEISA-N -1 3 279.771 3.113 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCO[C@H](c2ccsc2)C1 ZINC000180223221 373978675 /nfs/dbraw/zinc/97/86/75/373978675.db2.gz DYFPIABJTLKPER-HNNXBMFYSA-N -1 3 293.363 3.166 20 10 CGCDHM Cc1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c([O-])c1O ZINC000181816499 374175221 /nfs/dbraw/zinc/17/52/21/374175221.db2.gz BXAHIIFMJUZYQQ-OCCSQVGLSA-N -1 3 289.375 3.201 20 10 CGCDHM Cc1cc(Cl)cc(CN(C)Cc2cccnc2)c1[O-] ZINC000182034055 374206437 /nfs/dbraw/zinc/20/64/37/374206437.db2.gz AFONTBMJXUMWBF-UHFFFAOYSA-N -1 3 276.767 3.381 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N(CC1CCCCC1)C1CC1 ZINC000188235914 375182458 /nfs/dbraw/zinc/18/24/58/375182458.db2.gz PJHIHYWITUVDPO-UHFFFAOYSA-N -1 3 289.375 3.283 20 10 CGCDHM Cc1csc(C2(NCc3cc(F)ccc3[O-])CCC2)n1 ZINC000272246755 378594590 /nfs/dbraw/zinc/59/45/90/378594590.db2.gz BLFIRIWWBGBHFJ-UHFFFAOYSA-N -1 3 292.379 3.465 20 10 CGCDHM [O-]c1c(F)cccc1CN1CCC(OC2CCCC2)CC1 ZINC000272336373 378615292 /nfs/dbraw/zinc/61/52/92/378615292.db2.gz XRIIOMCWVKHWDN-UHFFFAOYSA-N -1 3 293.382 3.455 20 10 CGCDHM Cc1ccc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000365553877 382289018 /nfs/dbraw/zinc/28/90/18/382289018.db2.gz CFVWLTUFTQOQQS-OAHLLOKOSA-N -1 3 297.354 3.384 20 10 CGCDHM CC1(C)CN(Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000365235868 392443634 /nfs/dbraw/zinc/44/36/34/392443634.db2.gz ZPOXQNLTAYMHKP-UHFFFAOYSA-N -1 3 287.762 3.186 20 10 CGCDHM C[C@@H]1CN(Cc2ccccc2[O-])[C@H](c2ccccc2)CO1 ZINC000179579905 392704760 /nfs/dbraw/zinc/70/47/60/392704760.db2.gz PZCFKLNHUCEBPL-PBHICJAKSA-N -1 3 283.371 3.354 20 10 CGCDHM O=C(NCc1cccc2ccccc21)c1cccc(O)c1[O-] ZINC000072108573 176317239 /nfs/dbraw/zinc/31/72/39/176317239.db2.gz PXESAEFQNYWVQR-UHFFFAOYSA-N -1 3 293.322 3.181 20 10 CGCDHM Cc1cnc(C(C)(C)NCc2cc(F)ccc2[O-])s1 ZINC000180828231 261874910 /nfs/dbraw/zinc/87/49/10/261874910.db2.gz UJBRCYNPMMFKKB-UHFFFAOYSA-N -1 3 280.368 3.321 20 10 CGCDHM COc1ccc(CN[C@@H](C)c2ccc(F)cc2[O-])cc1O ZINC000185300689 262049161 /nfs/dbraw/zinc/04/91/61/262049161.db2.gz ZRBQUPVVQZAOMQ-JTQLQIEISA-N -1 3 291.322 3.096 20 10 CGCDHM CCc1cnc(CN[C@@H](C)c2cc(F)ccc2[O-])s1 ZINC000185584777 262305805 /nfs/dbraw/zinc/30/58/05/262305805.db2.gz SHCXLNPAZVLWCB-VIFPVBQESA-N -1 3 280.368 3.401 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC=C(c2ccccc2)C1 ZINC000375989040 329005933 /nfs/dbraw/zinc/00/59/33/329005933.db2.gz HWEIGEPUKPARNK-UHFFFAOYSA-N -1 3 295.338 3.027 20 10 CGCDHM Cc1ccc(/C=C\C(=O)N2CCCc3cccc([O-])c32)cn1 ZINC000492345757 332393515 /nfs/dbraw/zinc/39/35/15/332393515.db2.gz YLYUVPQJBOWWAE-KTKRTIGZSA-N -1 3 294.354 3.088 20 10 CGCDHM C[C@H]1CCN(C(=O)/C=C/c2cccnc2)c2c([O-])cccc21 ZINC000186325992 333158567 /nfs/dbraw/zinc/15/85/67/333158567.db2.gz AQBDLKSJEYOYCV-GWJCSSMESA-N -1 3 294.354 3.341 20 10 CGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2ccoc2C)c1[O-] ZINC000050154240 518285645 /nfs/dbraw/zinc/28/56/45/518285645.db2.gz WFZSZNMVRJGUSC-UHFFFAOYSA-N -1 3 291.322 3.267 20 10 CGCDHM CN(C)c1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000083551541 522209661 /nfs/dbraw/zinc/20/96/61/522209661.db2.gz DVWNHJBPHUVDPD-UHFFFAOYSA-N -1 3 290.794 3.401 20 10 CGCDHM COCCN(Cc1c([O-])ccc2ccccc21)CC(F)F ZINC000101539777 523738676 /nfs/dbraw/zinc/73/86/76/523738676.db2.gz YNTOXNIIBJSDCN-UHFFFAOYSA-N -1 3 295.329 3.259 20 10 CGCDHM C[C@]1(O)CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000129498706 525307203 /nfs/dbraw/zinc/30/72/03/525307203.db2.gz DTKZLIZYUHJLRK-ZDUSSCGKSA-N -1 3 290.190 3.046 20 10 CGCDHM Cc1ccc(C(=O)N(CC2CC2)CC2CCC2)c([O-])c1O ZINC000279955247 526072732 /nfs/dbraw/zinc/07/27/32/526072732.db2.gz GVOQSWPCDRFDHB-UHFFFAOYSA-N -1 3 289.375 3.059 20 10 CGCDHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc([O-])cs1 ZINC000748857448 572986959 /nfs/dbraw/zinc/98/69/59/572986959.db2.gz ASBPOQKEAQGDCX-GXSJLCMTSA-N -1 3 267.394 3.398 20 10 CGCDHM CN(C(=O)c1cc([O-])cs1)[C@@H]1CCc2ccccc21 ZINC000731867414 572433101 /nfs/dbraw/zinc/43/31/01/572433101.db2.gz KBGSXRQKRYJFEW-CYBMUJFWSA-N -1 3 273.357 3.213 20 10 CGCDHM Cc1ccc(C)c(C(=O)COC(=O)c2cc([O-])cs2)c1 ZINC000731912667 572436235 /nfs/dbraw/zinc/43/62/35/572436235.db2.gz XNZKQKYWSMMBDP-UHFFFAOYSA-N -1 3 290.340 3.110 20 10 CGCDHM C[C@H](NC(=O)c1cc([O-])cs1)c1ccc(F)cc1F ZINC000732265189 572455144 /nfs/dbraw/zinc/45/51/44/572455144.db2.gz OHHRQAYXWARQOP-ZETCQYMHSA-N -1 3 283.299 3.223 20 10 CGCDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1c(F)cccc1F ZINC000732268594 572455579 /nfs/dbraw/zinc/45/55/79/572455579.db2.gz KMKSKDFLZDFSGO-SSDOTTSWSA-N -1 3 283.299 3.223 20 10 CGCDHM CC[C@H](Cc1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000732285051 572458115 /nfs/dbraw/zinc/45/81/15/572458115.db2.gz OXNFFQHMCHBRJL-GFCCVEGCSA-N -1 3 275.373 3.205 20 10 CGCDHM C[C@H](NC(=O)c1cc([O-])cs1)C1CCCCC1 ZINC000743549603 572670988 /nfs/dbraw/zinc/67/09/88/572670988.db2.gz XWKDAAYHPQYVDZ-VIFPVBQESA-N -1 3 253.367 3.152 20 10 CGCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H]1c1ccccc1 ZINC000899376018 620670611 /nfs/dbraw/zinc/67/06/11/620670611.db2.gz NXTBRRQLXAYHMI-MLGOLLRUSA-N -1 3 297.354 3.321 20 10 CGCDHM O=C([O-])[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000833772421 604530065 /nfs/dbraw/zinc/53/00/65/604530065.db2.gz GMUIOPWBGCTQSA-INIZCTEOSA-N -1 3 297.354 3.108 20 10 CGCDHM O=C([O-])[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000833772421 604530067 /nfs/dbraw/zinc/53/00/67/604530067.db2.gz GMUIOPWBGCTQSA-INIZCTEOSA-N -1 3 297.354 3.108 20 10 CGCDHM CC(C)([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)[O-] ZINC000833460815 605235180 /nfs/dbraw/zinc/23/51/80/605235180.db2.gz KEQOTZXVDMIVTA-UHFFFAOYSA-N -1 3 285.343 3.012 20 10 CGCDHM Cc1ccc(C(=O)Nc2ccccc2Cl)c([O-])c1O ZINC000179381488 618780571 /nfs/dbraw/zinc/78/05/71/618780571.db2.gz GZFMVMHRVSCBJF-UHFFFAOYSA-N -1 3 277.707 3.312 20 10 CGCDHM Cc1cc([O-])c(CN(C)[C@H](C)C(=O)OC(C)C)c(Cl)c1 ZINC000840915869 619131411 /nfs/dbraw/zinc/13/14/11/619131411.db2.gz CNQMTRXLXHFIJO-LLVKDONJSA-N -1 3 299.798 3.126 20 10 CGCDHM CCc1nc(CNCc2cc(Cl)ccc2[O-])cs1 ZINC000107715500 619278579 /nfs/dbraw/zinc/27/85/79/619278579.db2.gz UPXAOBBNRQVIAJ-UHFFFAOYSA-N -1 3 282.796 3.354 20 10 CGCDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CCC1(F)F ZINC000894789834 619632215 /nfs/dbraw/zinc/63/22/15/619632215.db2.gz KRLUYVQMZSHMJP-MRVPVSSYSA-N -1 3 277.261 3.148 20 10 CGCDHM CN(Cc1ccns1)Cc1c([O-])cccc1Cl ZINC000895453897 619830283 /nfs/dbraw/zinc/83/02/83/619830283.db2.gz SBYWVKTXKBZWIO-UHFFFAOYSA-N -1 3 268.769 3.134 20 10 CGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H](CF)C1 ZINC000895543951 619846171 /nfs/dbraw/zinc/84/61/71/619846171.db2.gz HOOFQLQAQDEXSF-SECBINFHSA-N -1 3 275.726 3.366 20 10 CGCDHM COC[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1ccc(C)o1 ZINC000185630298 625399297 /nfs/dbraw/zinc/39/92/97/625399297.db2.gz HTXXKEHXHOIZLN-FZMZJTMJSA-N -1 3 293.338 3.471 20 10 CGCDHM NC(=O)Nc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000149163954 622239471 /nfs/dbraw/zinc/23/94/71/622239471.db2.gz PQKKVGHAYPGUOA-UHFFFAOYSA-N -1 3 291.738 3.148 20 10 CGCDHM C[C@@H](Nc1ccc2c(c1)OCO2)c1ccc(F)cc1[O-] ZINC000062744957 623264541 /nfs/dbraw/zinc/26/45/41/623264541.db2.gz QMKUSSMQMVBYIY-SECBINFHSA-N -1 3 275.279 3.433 20 10 CGCDHM O=C1N[C@H](c2cc(Cl)ccc2[O-])Nc2cc(F)ccc21 ZINC000917501430 624274553 /nfs/dbraw/zinc/27/45/53/624274553.db2.gz GLHKNFSZJKDXJL-CYBMUJFWSA-N -1 3 292.697 3.039 20 10 CGCDHM Cc1cnc(CNCc2c([O-])ccc(Cl)c2F)c(C)c1 ZINC000922741393 626039704 /nfs/dbraw/zinc/03/97/04/626039704.db2.gz LMWBSGLHTYDLLX-UHFFFAOYSA-N -1 3 294.757 3.486 20 10 CGCDHM CC1(C)CN(Cc2cccc(Cl)c2[O-])C(C)(C)CO1 ZINC000775702574 628127559 /nfs/dbraw/zinc/12/75/59/628127559.db2.gz BIUFTMDZHNDKGV-UHFFFAOYSA-N -1 3 283.799 3.435 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1cnc2c(c1)COCC2 ZINC000776957556 628241138 /nfs/dbraw/zinc/24/11/38/628241138.db2.gz BYLKIKCRGPBAPA-UHFFFAOYSA-N -1 3 290.750 3.125 20 10 CGCDHM CCOc1cc(NC(=O)c2cccc(O)c2[O-])ccc1C ZINC000790631351 629221456 /nfs/dbraw/zinc/22/14/56/629221456.db2.gz MTCNFSVXVWWTJZ-UHFFFAOYSA-N -1 3 287.315 3.057 20 10 CGCDHM CCN(Cc1c([O-])ccc(Cl)c1F)C[C@@H]1CCCO1 ZINC000792167452 629343690 /nfs/dbraw/zinc/34/36/90/629343690.db2.gz TVPDMEOAYRSTEB-JTQLQIEISA-N -1 3 287.762 3.186 20 10 CGCDHM COc1ccccc1CN(C)Cc1ccc(F)c(F)c1[O-] ZINC000876532642 634852069 /nfs/dbraw/zinc/85/20/69/634852069.db2.gz KDTNDZZVYJGSSX-UHFFFAOYSA-N -1 3 293.313 3.311 20 10 CGCDHM CCc1nc(C)c(CNCc2cc(Cl)cc(F)c2[O-])o1 ZINC000814179792 631539795 /nfs/dbraw/zinc/53/97/95/631539795.db2.gz YRWZBPUGYHXEHZ-UHFFFAOYSA-N -1 3 298.745 3.333 20 10 CGCDHM Cc1cc(Cl)cc(C[NH2+]C[C@@H](CC(C)C)C(=O)[O-])c1[O-] ZINC000818630454 632343358 /nfs/dbraw/zinc/34/33/58/632343358.db2.gz GPAPVUQAGHFICK-GFCCVEGCSA-N -1 3 299.798 3.191 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000865752770 632878633 /nfs/dbraw/zinc/87/86/33/632878633.db2.gz CULDAYMFIHYKRO-HTRCEHHLSA-N -1 3 283.652 3.225 20 10 CGCDHM CC(C)OC(=O)[C@@H](NCc1cc(Cl)ccc1[O-])C(C)C ZINC000824846957 633300190 /nfs/dbraw/zinc/30/01/90/633300190.db2.gz WBXAXAOOEPUGPD-AWEZNQCLSA-N -1 3 299.798 3.111 20 10 CGCDHM CCn1ccnc1[C@H](C)NCc1cccc(Cl)c1[O-] ZINC000825005584 633316787 /nfs/dbraw/zinc/31/67/87/633316787.db2.gz PPOMJCNXLJITKS-JTQLQIEISA-N -1 3 279.771 3.113 20 10 CGCDHM Cc1nnc(CN(C)Cc2cc(Cl)c(C)cc2[O-])s1 ZINC000827804913 633519060 /nfs/dbraw/zinc/51/90/60/633519060.db2.gz CIFHXJRDAQWDOV-UHFFFAOYSA-N -1 3 297.811 3.146 20 10 CGCDHM C[C@H](NCc1ccc2c(c1)CCO2)c1cccc([O-])c1F ZINC000872030656 633949330 /nfs/dbraw/zinc/94/93/30/633949330.db2.gz IWASMZPXPHXVCV-NSHDSACASA-N -1 3 287.334 3.317 20 10 CGCDHM CCn1ccnc1[C@H](C)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834894588 634272512 /nfs/dbraw/zinc/27/25/12/634272512.db2.gz LLYIEAGRPVGMNN-ZJUUUORDSA-N -1 3 295.333 3.299 20 10 CGCDHM CCc1nc(CN[C@H](CC)c2ccc(F)cc2[O-])co1 ZINC000834900135 634276562 /nfs/dbraw/zinc/27/65/62/634276562.db2.gz SYTGPIOWYGXMSV-CYBMUJFWSA-N -1 3 278.327 3.323 20 10 CGCDHM COC[C@@H](NCc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000877033104 634957051 /nfs/dbraw/zinc/95/70/51/634957051.db2.gz WHGGXNDCOOEAJT-CQSZACIVSA-N -1 3 293.313 3.148 20 10 CGCDHM [O-]c1c(CN[C@H]2COCc3ccccc32)ccc(F)c1F ZINC000877592167 635105068 /nfs/dbraw/zinc/10/50/68/635105068.db2.gz FHMXNLHCAGHAHX-AWEZNQCLSA-N -1 3 291.297 3.032 20 10 CGCDHM Cc1nnc(CN[C@@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841753696 635227654 /nfs/dbraw/zinc/22/76/54/635227654.db2.gz NHOGPABUZJJAPP-ZETCQYMHSA-N -1 3 283.784 3.056 20 10 CGCDHM COC[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000882997059 636498964 /nfs/dbraw/zinc/49/89/64/636498964.db2.gz UQHIKEYWIXXRBT-OAHLLOKOSA-N -1 3 293.313 3.148 20 10 CGCDHM C[C@@H]1Oc2ccccc2[C@H]1NCc1cc(F)cc(F)c1[O-] ZINC000883121729 636547722 /nfs/dbraw/zinc/54/77/22/636547722.db2.gz QJYLGSUCDZLHFT-VFZGTOFNSA-N -1 3 291.297 3.282 20 10 CGCDHM CCc1noc(CC)c1CN[C@H](C)c1c([O-])cccc1F ZINC000886539460 637563468 /nfs/dbraw/zinc/56/34/68/637563468.db2.gz ZWRVROZCDPTVFN-SNVBAGLBSA-N -1 3 292.354 3.495 20 10 CGCDHM CCn1ccnc1[C@H](C)N[C@@H](C)c1c([O-])cccc1F ZINC000886620207 637613516 /nfs/dbraw/zinc/61/35/16/637613516.db2.gz FARFAGONYNEXBB-QWRGUYRKSA-N -1 3 277.343 3.160 20 10 CGCDHM Cc1ccc(C(=O)N2c3ccccc3CC[C@H]2C)c([O-])c1O ZINC000854322271 638043181 /nfs/dbraw/zinc/04/31/81/638043181.db2.gz CKZBTZNETAZSHL-GFCCVEGCSA-N -1 3 297.354 3.388 20 10 CGCDHM O=C(CC1CCCCC1)NCc1c([O-])cccc1F ZINC000928708365 638889257 /nfs/dbraw/zinc/88/92/57/638889257.db2.gz GJDZJLKLTHKCTR-UHFFFAOYSA-N -1 3 265.328 3.118 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)C1(Cc2ccccc2)CC1 ZINC000928706485 638889299 /nfs/dbraw/zinc/88/92/99/638889299.db2.gz UJNULUWHBKAZMS-UHFFFAOYSA-N -1 3 299.345 3.170 20 10 CGCDHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000194107740 640513429 /nfs/dbraw/zinc/51/34/29/640513429.db2.gz UIORQVFBDJQJHK-UHFFFAOYSA-N -1 3 297.763 3.155 20 10 CGCDHM CCC(CC)(CC)CNC(=O)c1cccc(O)c1[O-] ZINC000391354518 799478041 /nfs/dbraw/zinc/47/80/41/799478041.db2.gz LMBMNTRRCYJYKD-UHFFFAOYSA-N -1 3 265.353 3.044 20 10 CGCDHM CC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])[C@@H](C)CO1 ZINC000403863313 799572211 /nfs/dbraw/zinc/57/22/11/799572211.db2.gz ZXHZBJGGLWCBMZ-GXFFZTMASA-N -1 3 269.772 3.045 20 10 CGCDHM C[C@@H](NCc1ccc(Br)cc1[O-])C(F)(F)F ZINC000691477014 799785349 /nfs/dbraw/zinc/78/53/49/799785349.db2.gz QDHGJMOIMOKWDF-ZCFIWIBFSA-N -1 3 298.102 3.195 20 10 CGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3C[C@@H]3C2)c1[O-] ZINC000699242283 799858388 /nfs/dbraw/zinc/85/83/88/799858388.db2.gz BPHXQPHLLLGNGV-GHMZBOCLSA-N -1 3 279.767 3.090 20 10 CGCDHM C[C@@H](NCc1c([O-])cccc1Cl)c1cscn1 ZINC000700419465 799871259 /nfs/dbraw/zinc/87/12/59/799871259.db2.gz NKFKOVFYKMBWAL-MRVPVSSYSA-N -1 3 268.769 3.353 20 10 CGCDHM [O-]c1ccc(F)cc1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001140057855 804364266 /nfs/dbraw/zinc/36/42/66/804364266.db2.gz PXNUGJQCDZXEHE-GFCCVEGCSA-N -1 3 277.261 3.101 20 10 CGCDHM Cc1cnc2c(c1)CN(Cc1c([O-])cccc1Cl)CC2 ZINC001140342455 804420286 /nfs/dbraw/zinc/42/02/86/804420286.db2.gz JTDRZAQMPZTEQF-UHFFFAOYSA-N -1 3 288.778 3.307 20 10 CGCDHM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CCC1(F)F ZINC001142508908 804727531 /nfs/dbraw/zinc/72/75/31/804727531.db2.gz PNGLQEIGYIGHER-MRVPVSSYSA-N -1 3 277.261 3.148 20 10 CGCDHM CC(C)CC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001142711222 804760492 /nfs/dbraw/zinc/76/04/92/804760492.db2.gz LZLBZHIUSOMNCP-UHFFFAOYSA-N -1 3 292.766 3.256 20 10 CGCDHM Cc1cc(NCc2cc3ccccc3cc2[O-])c(=O)n(C)c1 ZINC001171407550 808049149 /nfs/dbraw/zinc/04/91/49/808049149.db2.gz OVQQIKACGOGKQR-UHFFFAOYSA-N -1 3 294.354 3.165 20 10 CGCDHM C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1[O-] ZINC001179494876 809924705 /nfs/dbraw/zinc/92/47/05/809924705.db2.gz XVDIFABFDFLCAN-VIFPVBQESA-N -1 3 279.286 3.227 20 10 CGCDHM C[C@]1(F)CCN(Cc2cc(Cl)ccc2[O-])C[C@H]1F ZINC001203650844 812415566 /nfs/dbraw/zinc/41/55/66/812415566.db2.gz FIQDQXRHQAQHRF-OLZOCXBDSA-N -1 3 275.726 3.318 20 10 CGCDHM CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1cc(Cl)ccc1[O-] ZINC001203664691 812422203 /nfs/dbraw/zinc/42/22/03/812422203.db2.gz QAEFVOSLJBNABY-HZMBPMFUSA-N -1 3 299.798 3.065 20 10 CGCDHM [O-]c1cc(F)c(Nc2ccc3c(c2)OCCN3)cc1F ZINC001209787975 814139390 /nfs/dbraw/zinc/13/93/90/814139390.db2.gz AHZGBRJMHAEWKC-UHFFFAOYSA-N -1 3 278.258 3.218 20 10 CGCDHM COc1cnccc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001211263963 814866681 /nfs/dbraw/zinc/86/66/81/814866681.db2.gz PQKIWQBPERCMDY-UHFFFAOYSA-N -1 3 285.130 3.268 20 10 CGCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC001231452030 818102854 /nfs/dbraw/zinc/10/28/54/818102854.db2.gz BAHQHWJOVFHDDB-WFASDCNBSA-N -1 3 289.375 3.245 20 10 CGCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC001231452030 818102857 /nfs/dbraw/zinc/10/28/57/818102857.db2.gz BAHQHWJOVFHDDB-WFASDCNBSA-N -1 3 289.375 3.245 20 10 CGCDHM C[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])[C@H]1CCc2ccccc21 ZINC001231569165 818124343 /nfs/dbraw/zinc/12/43/43/818124343.db2.gz UKBYSWDELSHVSB-INIZCTEOSA-N -1 3 297.354 3.210 20 10 CGCDHM C[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])[C@H]1CCc2ccccc21 ZINC001231569165 818124347 /nfs/dbraw/zinc/12/43/47/818124347.db2.gz UKBYSWDELSHVSB-INIZCTEOSA-N -1 3 297.354 3.210 20 10 CGCDHM Cc1cc([O-])c(CN2CCc3cccnc3C2)cc1Cl ZINC001231870043 818194350 /nfs/dbraw/zinc/19/43/50/818194350.db2.gz HAUPBRCTRJLQJI-UHFFFAOYSA-N -1 3 288.778 3.307 20 10 CGCDHM Cc1nc2c(o1)CCN(Cc1ccc3ccccc3c1[O-])C2 ZINC001231883483 818201754 /nfs/dbraw/zinc/20/17/54/818201754.db2.gz LXENSAVIHWTEMC-UHFFFAOYSA-N -1 3 294.354 3.400 20 10 CGCDHM [O-]c1c(CN2CC[C@@H](F)C(F)(F)CC2)ccc(F)c1F ZINC001233074830 818517985 /nfs/dbraw/zinc/51/79/85/818517985.db2.gz XRXXXUUNNLEADO-SNVBAGLBSA-N -1 3 295.251 3.240 20 10 CGCDHM [O-]c1c(CN2CC3(C2)CCCCC3)ccc(F)c1F ZINC001233078012 818519138 /nfs/dbraw/zinc/51/91/38/818519138.db2.gz CMITYYGOPCJTER-UHFFFAOYSA-N -1 3 267.319 3.437 20 10 CGCDHM COc1ccc2ccc([O-])c(CN3CC(C)(F)C3)c2c1 ZINC001234525441 818872969 /nfs/dbraw/zinc/87/29/69/818872969.db2.gz HQHQNXVDADTPRN-UHFFFAOYSA-N -1 3 275.323 3.098 20 10 CGCDHM CCN1CCN(c2ccc(O[C@H](C)C3=CC=C[CH]3)cc2)CC1 ZINC001234658102 818908426 /nfs/dbraw/zinc/90/84/26/818908426.db2.gz UOCLGQNIRUXNQQ-MRXNPFEDSA-N -1 3 297.422 3.296 20 10 CGCDHM [O-]c1c(CN2CC(F)C2)cccc1-c1ccccc1 ZINC001234989178 818970688 /nfs/dbraw/zinc/97/06/88/818970688.db2.gz BBWVSGRYQYLHTB-UHFFFAOYSA-N -1 3 257.308 3.213 20 10 CGCDHM O=C1CCN(Cc2cccc(-c3ccccc3)c2[O-])C[C@H]1F ZINC001234996713 818973228 /nfs/dbraw/zinc/97/32/28/818973228.db2.gz MRUSKKKUSBGYIG-MRXNPFEDSA-N -1 3 299.345 3.172 20 10 CGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC[C@@H](CF)C1 ZINC001237798702 819844174 /nfs/dbraw/zinc/84/41/74/819844174.db2.gz LSOZJIMALFYHKV-VIFPVBQESA-N -1 3 275.726 3.366 20 10 CGCDHM CCc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001303879039 932836363 /nfs/dbraw/zinc/83/63/63/932836363.db2.gz TTZYGUFYQYASAY-UHFFFAOYSA-N -1 3 273.307 3.024 20 10 CGCDHM O=C(NCc1c([O-])cccc1F)c1cc2ccccc2o1 ZINC001303878570 932836866 /nfs/dbraw/zinc/83/68/66/932836866.db2.gz NEOFMHOSLMACGC-UHFFFAOYSA-N -1 3 285.274 3.208 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1Cc2cccc(O)c2C1 ZINC001308909426 933201760 /nfs/dbraw/zinc/20/17/60/933201760.db2.gz FOSHKYRRUIZYAM-UHFFFAOYSA-N -1 3 293.725 3.406 20 10 CGCDHM O=C(Cc1ccc(Cl)s1)NCc1c([O-])cccc1F ZINC001558455410 938215517 /nfs/dbraw/zinc/21/55/17/938215517.db2.gz SLZFGYYKJKOZLF-UHFFFAOYSA-N -1 3 299.754 3.105 20 10 CGCDHM Cc1c(Cl)cccc1C(=O)NCc1c([O-])cccc1F ZINC001558454769 938215605 /nfs/dbraw/zinc/21/56/05/938215605.db2.gz LZDYXPNMVNXRNM-UHFFFAOYSA-N -1 3 293.725 3.423 20 10 CGCDHM COc1cccc(F)c1CNCc1cccc(Cl)c1[O-] ZINC001561027113 938290435 /nfs/dbraw/zinc/29/04/35/938290435.db2.gz WHSNEKIVPXVPBM-UHFFFAOYSA-N -1 3 295.741 3.483 20 10 CGCDHM CC[C@H]([NH2+]Cc1ccccc1CC(=O)[O-])c1ccccc1[O-] ZINC001595304220 980438313 /nfs/dbraw/zinc/43/83/13/980438313.db2.gz BPUWFYBPHFAGSS-INIZCTEOSA-N -1 3 299.370 3.260 20 10 CGCDHM CC(C)C(C)(C)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593240242 994427442 /nfs/dbraw/zinc/42/74/42/994427442.db2.gz LNTOIDYGLDDVDU-NSHDSACASA-N -1 3 279.380 3.423 20 10 CGCDHM CCOC[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293794993 372484725 /nfs/dbraw/zinc/48/47/25/372484725.db2.gz BOCKPPIHNIOFOY-SNVBAGLBSA-N -1 3 287.762 3.043 20 10 CGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000294745500 372670072 /nfs/dbraw/zinc/67/00/72/372670072.db2.gz RBJIMLVPYSYPCG-HIFRSBDPSA-N -1 3 299.773 3.328 20 10 CGCDHM CN(Cc1cc(Cl)cn1C)Cc1cccc(F)c1[O-] ZINC000272374812 378623664 /nfs/dbraw/zinc/62/36/64/378623664.db2.gz HAFYDNTYLUOQOD-UHFFFAOYSA-N -1 3 282.746 3.155 20 10 CGCDHM C[C@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000273450639 378746427 /nfs/dbraw/zinc/74/64/27/378746427.db2.gz FWJUPPOMKADAMI-ZUZCIYMTSA-N -1 3 293.313 3.055 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000375351098 379492666 /nfs/dbraw/zinc/49/26/66/379492666.db2.gz AGRZLGXDGWSWDW-GFCCVEGCSA-N -1 3 277.755 3.106 20 10 CGCDHM [O-]c1ccc2ccccc2c1CN1CCC[C@@H]1c1ncon1 ZINC000360156036 381461973 /nfs/dbraw/zinc/46/19/73/381461973.db2.gz BKMMDAVEPVJAOW-OAHLLOKOSA-N -1 3 295.342 3.266 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ccccc1 ZINC000187206444 329354994 /nfs/dbraw/zinc/35/49/94/329354994.db2.gz PXKFSFMXUVVCLB-AWEZNQCLSA-N -1 3 283.327 3.075 20 10 CGCDHM CC[C@H](CNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731864551 572430439 /nfs/dbraw/zinc/43/04/39/572430439.db2.gz WPGRJOYAXFGNTG-LLVKDONJSA-N -1 3 275.373 3.377 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]1c1cccs1 ZINC000731867277 572433064 /nfs/dbraw/zinc/43/30/64/572433064.db2.gz QLZZCVQSWZDTTE-SNVBAGLBSA-N -1 3 279.386 3.493 20 10 CGCDHM O=C(c1cc([O-])cs1)N1CCC[C@H]1c1ccsc1 ZINC000731869494 572434151 /nfs/dbraw/zinc/43/41/51/572434151.db2.gz JRSHSCXDDJCHNM-NSHDSACASA-N -1 3 279.386 3.493 20 10 CGCDHM O=C(Nc1ccnn1C1CCCCC1)c1cc([O-])cs1 ZINC000732267069 572455273 /nfs/dbraw/zinc/45/52/73/572455273.db2.gz RIXLXFWWDFNBJN-UHFFFAOYSA-N -1 3 291.376 3.408 20 10 CGCDHM O=C(OCCCC(=O)c1ccccc1)c1cc([O-])cs1 ZINC000732353997 572461146 /nfs/dbraw/zinc/46/11/46/572461146.db2.gz YCVKBGWBIPGXJQ-UHFFFAOYSA-N -1 3 290.340 3.274 20 10 CGCDHM O=C(OCc1cc(-c2ccco2)on1)c1cc([O-])cs1 ZINC000732352940 572461353 /nfs/dbraw/zinc/46/13/53/572461353.db2.gz AJEHCMDIIASWMU-UHFFFAOYSA-N -1 3 291.284 3.059 20 10 CGCDHM CCC[C@]1(C)CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000743809811 572685037 /nfs/dbraw/zinc/68/50/37/572685037.db2.gz GYNMEONUZXIIJE-CQSZACIVSA-N -1 3 267.394 3.496 20 10 CGCDHM Cc1ccc(CCOC(=O)c2cc([O-])cs2)cc1 ZINC000736827098 572819543 /nfs/dbraw/zinc/81/95/43/572819543.db2.gz WAGKBCFAPQGIRW-UHFFFAOYSA-N -1 3 262.330 3.162 20 10 CGCDHM Cn1cccc1[C@H]1CCCCN1C(=O)c1cc([O-])cs1 ZINC000746694521 572892794 /nfs/dbraw/zinc/89/27/94/572892794.db2.gz XNQCSORICWJCNY-CYBMUJFWSA-N -1 3 290.388 3.160 20 10 CGCDHM CC[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)c1ccccc1[O-] ZINC000820285219 598180206 /nfs/dbraw/zinc/18/02/06/598180206.db2.gz VZNBCXIPBQYSCD-OAHLLOKOSA-N -1 3 285.343 3.331 20 10 CGCDHM CCCC[C@H](C(=O)[O-])[N@H+](CCC)Cc1ccccc1[O-] ZINC000829277146 600852283 /nfs/dbraw/zinc/85/22/83/600852283.db2.gz RLVWLRQHXACXDD-CQSZACIVSA-N -1 3 279.380 3.248 20 10 CGCDHM CCCC[C@H](C(=O)[O-])[N@@H+](CCC)Cc1ccccc1[O-] ZINC000829277146 600852286 /nfs/dbraw/zinc/85/22/86/600852286.db2.gz RLVWLRQHXACXDD-CQSZACIVSA-N -1 3 279.380 3.248 20 10 CGCDHM COC(=O)[C@H](CC(C)C)N(C)Cc1cc(Cl)ccc1[O-] ZINC000814179810 619415341 /nfs/dbraw/zinc/41/53/41/619415341.db2.gz ZTNJSLIZQIXAHQ-ZDUSSCGKSA-N -1 3 299.798 3.065 20 10 CGCDHM CCCC[C@H](CC)CNC(=O)c1cccc(O)c1[O-] ZINC000165715599 622867471 /nfs/dbraw/zinc/86/74/71/622867471.db2.gz VJLZFILCQJRZRV-NSHDSACASA-N -1 3 265.353 3.044 20 10 CGCDHM CCc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000182478344 625005289 /nfs/dbraw/zinc/00/52/89/625005289.db2.gz DGIZXACVFDJREN-UHFFFAOYSA-N -1 3 291.372 3.064 20 10 CGCDHM C[C@H]1COC(C)(C)CN1Cc1cc(Cl)ccc1[O-] ZINC000754156557 626561688 /nfs/dbraw/zinc/56/16/88/626561688.db2.gz SJMBHQYRFVWFFW-JTQLQIEISA-N -1 3 269.772 3.045 20 10 CGCDHM C[C@H](Nc1cccc2c1OCO2)c1ccc(F)cc1[O-] ZINC000757660019 626798438 /nfs/dbraw/zinc/79/84/38/626798438.db2.gz YIJVENQJWAHNLK-VIFPVBQESA-N -1 3 275.279 3.433 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CCc2ccc(O)cc2C1 ZINC000768869630 627504713 /nfs/dbraw/zinc/50/47/13/627504713.db2.gz WMKVEFVQRJGCFG-UHFFFAOYSA-N -1 3 289.762 3.310 20 10 CGCDHM COc1c([O-])c(CNc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000774912422 628049104 /nfs/dbraw/zinc/04/91/04/628049104.db2.gz BDAVGNWTKXBTOZ-UHFFFAOYSA-N -1 3 288.303 3.230 20 10 CGCDHM CCC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790474444 629212069 /nfs/dbraw/zinc/21/20/69/629212069.db2.gz FNNRINQJUXOTAE-AWEZNQCLSA-N -1 3 285.343 3.369 20 10 CGCDHM CC(C)(C)C[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000790599179 629219690 /nfs/dbraw/zinc/21/96/90/629219690.db2.gz ULXFJFUCRRYYOE-LLVKDONJSA-N -1 3 277.364 3.139 20 10 CGCDHM CC[C@@H]1c2ccccc2CCN1C(=O)c1cccc(O)c1[O-] ZINC000790896499 629239920 /nfs/dbraw/zinc/23/99/20/629239920.db2.gz HYAQOMYEKYUJPU-OAHLLOKOSA-N -1 3 297.354 3.247 20 10 CGCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])Cc2ccccc21 ZINC000790906274 629240945 /nfs/dbraw/zinc/24/09/45/629240945.db2.gz WNWOGVQGUJTICC-UHFFFAOYSA-N -1 3 297.354 3.031 20 10 CGCDHM CCc1noc(C)c1CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000815640638 631810815 /nfs/dbraw/zinc/81/08/15/631810815.db2.gz CIDRVHVRRRUEHX-MRVPVSSYSA-N -1 3 296.317 3.380 20 10 CGCDHM C[C@@H]1CSCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816512127 631998442 /nfs/dbraw/zinc/99/84/42/631998442.db2.gz XWMDFTBRFPVVOZ-MRVPVSSYSA-N -1 3 275.776 3.122 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CCCn2nccc21 ZINC000865872999 632932982 /nfs/dbraw/zinc/93/29/82/632932982.db2.gz YRHFROFHEBPVNH-LLVKDONJSA-N -1 3 295.745 3.006 20 10 CGCDHM C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)O1 ZINC000827371707 633485758 /nfs/dbraw/zinc/48/57/58/633485758.db2.gz YOLZFUXPQZHFCL-ZJUUUORDSA-N -1 3 287.762 3.184 20 10 CGCDHM C[C@@H](CCNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000126393896 635008009 /nfs/dbraw/zinc/00/80/09/635008009.db2.gz UZQKEDQBKXEKDF-LBPRGKRZSA-N -1 3 285.343 3.021 20 10 CGCDHM CCc1ncc(CNCc2c([O-])cc(C)cc2Cl)o1 ZINC000840951284 635090348 /nfs/dbraw/zinc/09/03/48/635090348.db2.gz VBPANYICXWKQNY-UHFFFAOYSA-N -1 3 280.755 3.194 20 10 CGCDHM CC[C@@H](NCc1ncccn1)c1cc(Cl)ccc1[O-] ZINC000850553056 637118791 /nfs/dbraw/zinc/11/87/91/637118791.db2.gz SQSUIDUEYBEJQM-GFCCVEGCSA-N -1 3 277.755 3.077 20 10 CGCDHM CC(C)n1ccc(CN[C@@H](C)c2c([O-])cccc2F)n1 ZINC000886530499 637557102 /nfs/dbraw/zinc/55/71/02/637557102.db2.gz LNQIBCJGMYNFFZ-NSHDSACASA-N -1 3 277.343 3.160 20 10 CGCDHM C[C@H](N[C@@H](CO)c1cccc(F)c1)c1c([O-])cccc1F ZINC000886548139 637573499 /nfs/dbraw/zinc/57/34/99/637573499.db2.gz XWKSKYNKICCJJX-HZMBPMFUSA-N -1 3 293.313 3.055 20 10 CGCDHM CCC[C@@H](C(=O)NCc1c([O-])cccc1F)C(C)C ZINC000928706142 638889322 /nfs/dbraw/zinc/88/93/22/638889322.db2.gz RUMPVRKYINXENH-LLVKDONJSA-N -1 3 267.344 3.220 20 10 CGCDHM COc1ccc(Cl)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000126347730 799007467 /nfs/dbraw/zinc/00/74/67/799007467.db2.gz GDOBNKFBJNOCBU-UHFFFAOYSA-N -1 3 293.706 3.012 20 10 CGCDHM CCc1ccc(NC(=O)c2cccc(O)c2[O-])cc1C ZINC000383450277 799403341 /nfs/dbraw/zinc/40/33/41/799403341.db2.gz KTNSSFNLUXDVAT-UHFFFAOYSA-N -1 3 271.316 3.221 20 10 CGCDHM CCCCCCc1nnc(-c2cccc(O)c2[O-])o1 ZINC001256317911 806859666 /nfs/dbraw/zinc/85/96/66/806859666.db2.gz KATQIDUCPZNXIP-UHFFFAOYSA-N -1 3 262.309 3.271 20 10 CGCDHM CC(C)[C@@H]1CCC[C@H](NC(=O)c2cccc(O)c2[O-])CC1 ZINC001138507895 803953731 /nfs/dbraw/zinc/95/37/31/803953731.db2.gz MSPTWHQLIOCROI-OLZOCXBDSA-N -1 3 291.391 3.433 20 10 CGCDHM CC(=O)c1ccc2c(c1)CN(Cc1cc(F)ccc1[O-])CC2 ZINC001140058955 804364378 /nfs/dbraw/zinc/36/43/78/804364378.db2.gz QUPKRINXHAEQFZ-UHFFFAOYSA-N -1 3 299.345 3.292 20 10 CGCDHM O=C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(Cl)cc1[O-] ZINC001140466664 804444321 /nfs/dbraw/zinc/44/43/21/804444321.db2.gz KANKRCBFVTYMAG-BETUJISGSA-N -1 3 279.767 3.132 20 10 CGCDHM Cc1cc(CN(C)CC(F)F)c([O-])cc1Br ZINC001250135500 805436235 /nfs/dbraw/zinc/43/62/35/805436235.db2.gz BRMMZKORPMGNFY-UHFFFAOYSA-N -1 3 294.139 3.160 20 10 CGCDHM C[C@@H](c1ccccc1)N(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC001258105159 807309689 /nfs/dbraw/zinc/30/96/89/807309689.db2.gz CHHWLLFROJCAKP-LBPRGKRZSA-N -1 3 297.354 3.464 20 10 CGCDHM COc1cc(C)cc(-c2noc(-c3cccc(O)c3[O-])n2)c1 ZINC001215145959 815488841 /nfs/dbraw/zinc/48/88/41/815488841.db2.gz UPJRTOAUKDDMPH-UHFFFAOYSA-N -1 3 298.298 3.132 20 10 CGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(F)cc2F)no1 ZINC001215143868 815489131 /nfs/dbraw/zinc/48/91/31/815489131.db2.gz XQPQBWSRYKQDJU-UHFFFAOYSA-N -1 3 290.225 3.093 20 10 CGCDHM Cc1ccnc(CNCc2cc(Cl)cc(F)c2[O-])c1 ZINC001203521624 812383239 /nfs/dbraw/zinc/38/32/39/812383239.db2.gz IELOTJSMZHPXET-UHFFFAOYSA-N -1 3 280.730 3.178 20 10 CGCDHM [O-]c1ccc(Cl)cc1CN1CC(F)(F)C[C@H]1CF ZINC001203651761 812415477 /nfs/dbraw/zinc/41/54/77/812415477.db2.gz UCBNWJJVGLQIES-JTQLQIEISA-N -1 3 279.689 3.225 20 10 CGCDHM Cc1cc([O-])c(CN2CCn3cccc3C2)cc1Cl ZINC001207501224 813577563 /nfs/dbraw/zinc/57/75/63/813577563.db2.gz AVZARMYHBWTUDX-UHFFFAOYSA-N -1 3 276.767 3.171 20 10 CGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC001236789372 819595256 /nfs/dbraw/zinc/59/52/56/819595256.db2.gz FLNMFOJFKDZKQP-OCAPTIKFSA-N -1 3 258.148 3.151 20 10 CGCDHM CN(Cc1cc(Cl)cc(F)c1[O-])C1CC(F)(F)C1 ZINC001237616070 819787358 /nfs/dbraw/zinc/78/73/58/819787358.db2.gz CWZSBUVXNPGPIS-UHFFFAOYSA-N -1 3 279.689 3.414 20 10 CGCDHM [O-]c1c(Cl)cccc1CNCc1noc2ccccc12 ZINC001462572379 928793236 /nfs/dbraw/zinc/79/32/36/928793236.db2.gz HIIIAUJFJLAJKT-UHFFFAOYSA-N -1 3 288.734 3.477 20 10 CGCDHM O=C(Nc1cnc2c(F)cccc2c1)c1cccc(O)c1[O-] ZINC001469930001 937745673 /nfs/dbraw/zinc/74/56/73/937745673.db2.gz YNXQRBCONZBRHK-UHFFFAOYSA-N -1 3 298.273 3.037 20 10 CGCDHM Cc1nn(C)c(C)c1N[C@@H](C)c1c([O-])cccc1F ZINC001333466618 935537716 /nfs/dbraw/zinc/53/77/16/935537716.db2.gz MCGBSQWLGJOOGZ-QMMMGPOBSA-N -1 3 263.316 3.055 20 10 CGCDHM Cc1ccnc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC001560574999 938263601 /nfs/dbraw/zinc/26/36/01/938263601.db2.gz VQFAKKICTTXMPE-UHFFFAOYSA-N -1 3 280.730 3.178 20 10 CGCDHM CC(C)C[C@@H]1COCCN1Cc1ccc(Cl)cc1[O-] ZINC001560697914 938270935 /nfs/dbraw/zinc/27/09/35/938270935.db2.gz UEURXWIOWNCAOH-CQSZACIVSA-N -1 3 283.799 3.293 20 10 CGCDHM Cc1cc(NCc2ccc(Cl)cc2[O-])ccc1C(N)=O ZINC001560794194 938276329 /nfs/dbraw/zinc/27/63/29/938276329.db2.gz MNOGXXAOGBQJOC-UHFFFAOYSA-N -1 3 290.750 3.065 20 10 CGCDHM C[C@@H]1CCCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC001563851719 938305530 /nfs/dbraw/zinc/30/55/30/938305530.db2.gz ANGIQVBCMYSITJ-VXGBXAGGSA-N -1 3 294.370 3.157 20 10 CGCDHM Cc1cc(C)c([C@H](C)[NH2+]C2CCC(C(=O)[O-])CC2)c([O-])c1 ZINC001594292419 957835761 /nfs/dbraw/zinc/83/57/61/957835761.db2.gz JBPMENYHKRJEOI-HSBZDZAISA-N -1 3 291.391 3.303 20 10 CGCDHM Cc1ccc(C[NH2+][C@H]2C[C@H](C(=O)[O-])c3ccccc32)c([O-])c1 ZINC001594361448 958452241 /nfs/dbraw/zinc/45/22/41/958452241.db2.gz PUOIXXOUYDKNQG-HOTGVXAUSA-N -1 3 297.354 3.103 20 10 CGCDHM Cc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c([O-])c1 ZINC001594361453 958452967 /nfs/dbraw/zinc/45/29/67/958452967.db2.gz PUOIXXOUYDKNQG-HZPDHXFCSA-N -1 3 297.354 3.103 20 10 CGCDHM C[C@@H]1CC[C@@H](NC(=O)NCc2c([O-])cccc2F)C[C@H]1C ZINC001564538429 960660323 /nfs/dbraw/zinc/66/03/23/960660323.db2.gz GQBYWHYRWAXQAA-IJLUTSLNSA-N -1 3 294.370 3.155 20 10 CGCDHM CC[C@@H]([NH2+]Cc1cccc(C(=O)[O-])c1)c1ccccc1[O-] ZINC001589570744 964000053 /nfs/dbraw/zinc/00/00/53/964000053.db2.gz SRWGFMVICKHHCV-OAHLLOKOSA-N -1 3 285.343 3.331 20 10 CGCDHM CCC(CC)(C[NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)[O-] ZINC001595077854 979356870 /nfs/dbraw/zinc/35/68/70/979356870.db2.gz QUQPHQOFVIZXLI-JTQLQIEISA-N -1 3 283.343 3.073 20 10 CGCDHM CCc1oc(C(=O)[O-])cc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC001597767680 989225013 /nfs/dbraw/zinc/22/50/13/989225013.db2.gz RPROILMDIYSXNP-JTQLQIEISA-N -1 3 289.331 3.097 20 10 CGCDHM C[C@H]([NH2+]CC1CC(C)(C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593251383 994494152 /nfs/dbraw/zinc/49/41/52/994494152.db2.gz DNMVMUMVSAZCKN-JTQLQIEISA-N -1 3 277.364 3.177 20 10 CGCDHM CCCOc1ccc(CN[C@@H](C)C(F)(F)F)c([O-])c1 ZINC000288339078 371735258 /nfs/dbraw/zinc/73/52/58/371735258.db2.gz BEMXHJYEROHZHW-VIFPVBQESA-N -1 3 277.286 3.221 20 10 CGCDHM CCc1noc(C)c1CN[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000293563060 372411239 /nfs/dbraw/zinc/41/12/39/372411239.db2.gz ARBIPIFSPRAYJL-QMMMGPOBSA-N -1 3 296.317 3.380 20 10 CGCDHM Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)c([O-])c1O ZINC000293758094 372471590 /nfs/dbraw/zinc/47/15/90/372471590.db2.gz MSFWSJDIIICWFP-HNNXBMFYSA-N -1 3 289.375 3.057 20 10 CGCDHM Cc1ccoc1CN[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000293803287 372486397 /nfs/dbraw/zinc/48/63/97/372486397.db2.gz VDRAEBWPNQHIAY-VIFPVBQESA-N -1 3 267.275 3.423 20 10 CGCDHM Cc1c([C@H](C)NCc2cc(Cl)c(F)cc2[O-])cnn1C ZINC000294135918 372591507 /nfs/dbraw/zinc/59/15/07/372591507.db2.gz HEZGIHRFKHIMFH-QMMMGPOBSA-N -1 3 297.761 3.077 20 10 CGCDHM CC[C@](C)(NCc1cc(F)ccc1[O-])c1nccs1 ZINC000180772408 374044290 /nfs/dbraw/zinc/04/42/90/374044290.db2.gz XXFJOJFNLDIXTG-AWEZNQCLSA-N -1 3 280.368 3.403 20 10 CGCDHM C[C@H](N[C@H](CO)c1c(F)cccc1F)c1ccccc1[O-] ZINC000272800514 378706747 /nfs/dbraw/zinc/70/67/47/378706747.db2.gz BKBDGIPAGUJMBJ-IINYFYTJSA-N -1 3 293.313 3.055 20 10 CGCDHM CC[C@@H](N[C@H](C)c1nnc(C)s1)c1ccc(F)cc1[O-] ZINC000286182038 380171647 /nfs/dbraw/zinc/17/16/47/380171647.db2.gz QJYNHKBLCWXHOF-PRHODGIISA-N -1 3 295.383 3.493 20 10 CGCDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])C1CCCCC1 ZINC000179417600 392700084 /nfs/dbraw/zinc/70/00/84/392700084.db2.gz IVRWNHRJOIVXJG-UHFFFAOYSA-N -1 3 277.364 3.201 20 10 CGCDHM Cc1csc(C(C)(C)NCc2cc(F)ccc2[O-])n1 ZINC000180730243 392714080 /nfs/dbraw/zinc/71/40/80/392714080.db2.gz MMOOSQGUXGYVID-UHFFFAOYSA-N -1 3 280.368 3.321 20 10 CGCDHM C[C@@H](NCc1cc(Cl)ccc1[O-])c1ccccn1 ZINC000020123507 171004977 /nfs/dbraw/zinc/00/49/77/171004977.db2.gz YVZBXGAAYCGBRF-SNVBAGLBSA-N -1 3 262.740 3.291 20 10 CGCDHM CC[C@H](NCc1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000287855968 263102893 /nfs/dbraw/zinc/10/28/93/263102893.db2.gz XBJYWEWIAIJKFY-ZDUSSCGKSA-N -1 3 279.771 3.020 20 10 CGCDHM C[C@@H]1Oc2ccccc2[C@@H]1NCc1cccc(F)c1[O-] ZINC000368141842 267148329 /nfs/dbraw/zinc/14/83/29/267148329.db2.gz HAOAXZBIOIWCFP-ZUZCIYMTSA-N -1 3 273.307 3.143 20 10 CGCDHM C[C@@H](NCc1ccccc1[O-])c1nccn1-c1ccccc1 ZINC000377410365 329014725 /nfs/dbraw/zinc/01/47/25/329014725.db2.gz XDWSNHVZRROHGN-CQSZACIVSA-N -1 3 293.370 3.429 20 10 CGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC(Cc2ccco2)C1 ZINC000529650025 333503866 /nfs/dbraw/zinc/50/38/66/333503866.db2.gz VMOYGHRQEFIKKM-UHFFFAOYSA-N -1 3 295.741 3.452 20 10 CGCDHM Cc1ccc(CN[C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000062748549 524604902 /nfs/dbraw/zinc/60/49/02/524604902.db2.gz YQELBXSHUZRBLU-LLVKDONJSA-N -1 3 260.312 3.086 20 10 CGCDHM [O-]c1ccc(F)cc1CNc1cc(C2CC2)ccn1 ZINC000290856278 526351820 /nfs/dbraw/zinc/35/18/20/526351820.db2.gz JJLUKGMFTWANTR-UHFFFAOYSA-N -1 3 258.296 3.416 20 10 CGCDHM Cc1ncsc1CN(C)Cc1c([O-])ccc2ccncc21 ZINC000738160363 572365213 /nfs/dbraw/zinc/36/52/13/572365213.db2.gz IMVXGZVCZPFEJR-UHFFFAOYSA-N -1 3 299.399 3.337 20 10 CGCDHM Cc1ccc(C[C@@H](C)NC(=O)c2cc([O-])cs2)s1 ZINC000738545846 572378267 /nfs/dbraw/zinc/37/82/67/572378267.db2.gz ROMRJXRNLIEROZ-MRVPVSSYSA-N -1 3 281.402 3.185 20 10 CGCDHM O=C(NCc1ccc(Cl)s1)c1cc([O-])cs1 ZINC000731868672 572434081 /nfs/dbraw/zinc/43/40/81/572434081.db2.gz OJHLPUDDKUBUPT-UHFFFAOYSA-N -1 3 273.766 3.099 20 10 CGCDHM C[C@@H](c1cccs1)N(C)C(=O)c1cc([O-])cs1 ZINC000732273149 572457382 /nfs/dbraw/zinc/45/73/82/572457382.db2.gz YQOHQWVBWWECSV-QMMMGPOBSA-N -1 3 267.375 3.348 20 10 CGCDHM O=C(Nc1ccc2c(c1)CCCO2)c1cc([O-])cs1 ZINC000732282953 572457967 /nfs/dbraw/zinc/45/79/67/572457967.db2.gz YYAOIDRBYDYSFB-UHFFFAOYSA-N -1 3 275.329 3.031 20 10 CGCDHM CC[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000732285052 572458078 /nfs/dbraw/zinc/45/80/78/572458078.db2.gz OXNFFQHMCHBRJL-LBPRGKRZSA-N -1 3 275.373 3.205 20 10 CGCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2coc3ccccc23)c1 ZINC000734003980 572623072 /nfs/dbraw/zinc/62/30/72/572623072.db2.gz FKTOORBJBSSOGJ-UHFFFAOYSA-N -1 3 298.298 3.336 20 10 CGCDHM O=C(OCc1ccc2ccccc2n1)c1cc([O-])cs1 ZINC000736824403 572819529 /nfs/dbraw/zinc/81/95/29/572819529.db2.gz IXVDJULBNNDBFY-UHFFFAOYSA-N -1 3 285.324 3.359 20 10 CGCDHM C[C@@H]1CCN(C(=O)c2cc([O-])cs2)[C@H]2CCCC[C@H]12 ZINC000749542452 573018500 /nfs/dbraw/zinc/01/85/00/573018500.db2.gz HIZAESPBPLGXRZ-RTXFEEFZSA-N -1 3 279.405 3.495 20 10 CGCDHM CCN(Cc1c([O-])cc(C)cc1Cl)CC(F)F ZINC000840940222 619232055 /nfs/dbraw/zinc/23/20/55/619232055.db2.gz XCQMDOMJTSTUIH-UHFFFAOYSA-N -1 3 263.715 3.441 20 10 CGCDHM Cc1cc2cc(NC(=O)c3ccc(C)c(O)c3[O-])ccc2[nH]1 ZINC000179421567 618783331 /nfs/dbraw/zinc/78/33/31/618783331.db2.gz UNOSMULQHWTDAP-UHFFFAOYSA-N -1 3 296.326 3.448 20 10 CGCDHM C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894600702 619583768 /nfs/dbraw/zinc/58/37/68/619583768.db2.gz KTRUIVLYUFTVMT-GMSGAONNSA-N -1 3 295.251 3.443 20 10 CGCDHM COc1ccc(C)cc1CNCc1c([O-])cccc1F ZINC000896641974 620042471 /nfs/dbraw/zinc/04/24/71/620042471.db2.gz VQDLMHWAUIVXAV-UHFFFAOYSA-N -1 3 275.323 3.138 20 10 CGCDHM CCc1onc(C)c1CNCc1cccc(Cl)c1[O-] ZINC000897337102 620210866 /nfs/dbraw/zinc/21/08/66/620210866.db2.gz JFUCHQWTLMMPJG-UHFFFAOYSA-N -1 3 280.755 3.194 20 10 CGCDHM Cc1ccc(C(=O)Nc2ccc3ccn(C)c3c2)c([O-])c1O ZINC000182191164 624954990 /nfs/dbraw/zinc/95/49/90/624954990.db2.gz LYTCLDQZMNREIO-UHFFFAOYSA-N -1 3 296.326 3.150 20 10 CGCDHM CCc1nc2cc(NC(=O)c3cccc(O)c3[O-])ccc2o1 ZINC000186975280 626085418 /nfs/dbraw/zinc/08/54/18/626085418.db2.gz YMNMBRYDRIDMAZ-UHFFFAOYSA-N -1 3 298.298 3.054 20 10 CGCDHM CCc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000751530795 626394648 /nfs/dbraw/zinc/39/46/48/626394648.db2.gz UIRBCTTYPRPCCS-UHFFFAOYSA-N -1 3 271.316 3.221 20 10 CGCDHM C[C@@H](NCc1cccc(F)n1)c1cc(F)cc(F)c1[O-] ZINC000756769182 626730767 /nfs/dbraw/zinc/73/07/67/626730767.db2.gz OQRATXOROSNMFK-MRVPVSSYSA-N -1 3 282.265 3.055 20 10 CGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(F)cc2)c1 ZINC000756794772 626733343 /nfs/dbraw/zinc/73/33/43/626733343.db2.gz BTMPWICLQWCCJW-JTQLQIEISA-N -1 3 289.306 3.491 20 10 CGCDHM CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000773778460 627914417 /nfs/dbraw/zinc/91/44/17/627914417.db2.gz XXNUBQYPCILEBA-AWEZNQCLSA-N -1 3 297.354 3.498 20 10 CGCDHM C[C@@H]1CCN(Cc2c([O-])cccc2Cl)C[C@@H]1F ZINC000779151519 628390871 /nfs/dbraw/zinc/39/08/71/628390871.db2.gz ZLKSRUSEQWRQDO-SKDRFNHKSA-N -1 3 257.736 3.226 20 10 CGCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])[C@@H](C)[C@H](C)O1 ZINC000783736976 628744096 /nfs/dbraw/zinc/74/40/96/628744096.db2.gz GTRPNNIQGPATMV-VWYCJHECSA-N -1 3 269.772 3.043 20 10 CGCDHM CC(C)[C@H](NCc1cc(F)ccc1[O-])C(F)(F)F ZINC000787438797 629012352 /nfs/dbraw/zinc/01/23/52/629012352.db2.gz GFYCKORJAXQHSW-NSHDSACASA-N -1 3 265.250 3.208 20 10 CGCDHM [O-]c1cccc(Br)c1CN1CCC=C(F)C1 ZINC000862303667 629342795 /nfs/dbraw/zinc/34/27/95/629342795.db2.gz WFRQBBBCAGUWGC-UHFFFAOYSA-N -1 3 286.144 3.214 20 10 CGCDHM CO[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@H](C)C1 ZINC000799738422 630228977 /nfs/dbraw/zinc/22/89/77/630228977.db2.gz YRACCIYSSKEGKT-BXKDBHETSA-N -1 3 287.762 3.184 20 10 CGCDHM CC[C@@H](NCc1cc[nH]n1)c1cccc(Cl)c1[O-] ZINC000806137714 630546694 /nfs/dbraw/zinc/54/66/94/630546694.db2.gz NAWSCTMKWHRKCK-GFCCVEGCSA-N -1 3 265.744 3.010 20 10 CGCDHM Cc1noc([C@@H]2CCCN2Cc2cc(Cl)ccc2[O-])n1 ZINC000809721301 630791373 /nfs/dbraw/zinc/79/13/73/630791373.db2.gz PGZQEDDXXNXTNQ-LBPRGKRZSA-N -1 3 293.754 3.074 20 10 CGCDHM CC[C@H]1CCN1Cc1cccc(Br)c1[O-] ZINC000814178825 631539678 /nfs/dbraw/zinc/53/96/78/631539678.db2.gz DWMSGCZRKLZDDR-JTQLQIEISA-N -1 3 270.170 3.139 20 10 CGCDHM CC(C)[C@@H]1CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816528254 632004051 /nfs/dbraw/zinc/00/40/51/632004051.db2.gz SYXNRBZIWTVLJI-LBPRGKRZSA-N -1 3 257.736 3.415 20 10 CGCDHM [O-]c1c(CN2CCO[C@H](C(F)F)C2)ccc2ccccc21 ZINC000816600329 632021113 /nfs/dbraw/zinc/02/11/13/632021113.db2.gz TVWSRSCRDXMWRA-AWEZNQCLSA-N -1 3 293.313 3.011 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2ccccc2)C1 ZINC000817106884 632082349 /nfs/dbraw/zinc/08/23/49/632082349.db2.gz NTDOLQLYQJPLCE-AWEZNQCLSA-N -1 3 297.354 3.118 20 10 CGCDHM CC[C@@H](NCc1cc(Br)ccc1[O-])C(F)F ZINC000824508176 633251687 /nfs/dbraw/zinc/25/16/87/633251687.db2.gz BGCGDNQTFQSLRJ-SECBINFHSA-N -1 3 294.139 3.288 20 10 CGCDHM CO[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1C ZINC000824815447 633293983 /nfs/dbraw/zinc/29/39/83/633293983.db2.gz PHADIHVQVBZQIB-RNCFNFMXSA-N -1 3 287.762 3.042 20 10 CGCDHM COc1cccc2c1CN(Cc1cccc(F)c1[O-])CC2 ZINC000824983318 633314812 /nfs/dbraw/zinc/31/48/12/633314812.db2.gz UIAJCOHYRSYXRC-UHFFFAOYSA-N -1 3 287.334 3.098 20 10 CGCDHM C[C@@H]1C[C@H](NCc2c([O-])ccc(Cl)c2F)c2nccn21 ZINC000825017476 633318744 /nfs/dbraw/zinc/31/87/44/633318744.db2.gz SLISGXKKROZXJU-KCJUWKMLSA-N -1 3 295.745 3.177 20 10 CGCDHM C[C@H]1C[C@H](NCc2c([O-])cccc2Cl)c2nccn21 ZINC000825017553 633318962 /nfs/dbraw/zinc/31/89/62/633318962.db2.gz ULSHAYKUZVPOCN-CABZTGNLSA-N -1 3 277.755 3.038 20 10 CGCDHM CC1(C)CN(Cc2cc(Cl)c(F)cc2[O-])[C@@H]2COC[C@@H]21 ZINC000825331664 633347122 /nfs/dbraw/zinc/34/71/22/633347122.db2.gz KMMJKUXYDPLGHD-GXFFZTMASA-N -1 3 299.773 3.042 20 10 CGCDHM Cc1cc([O-])c(CN2CCC[C@H]2c2ncc[nH]2)cc1Cl ZINC000825515121 633360733 /nfs/dbraw/zinc/36/07/33/633360733.db2.gz XSCNWSNPMMBCMV-ZDUSSCGKSA-N -1 3 291.782 3.414 20 10 CGCDHM CC(C)OC(=O)[C@@H](N[C@H](C)c1cc(F)ccc1[O-])C(C)C ZINC000834885897 634266823 /nfs/dbraw/zinc/26/68/23/634266823.db2.gz NMPJKPXUUFWDLF-ABAIWWIYSA-N -1 3 297.370 3.158 20 10 CGCDHM CC(C)CCC[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126301591 634955630 /nfs/dbraw/zinc/95/56/30/634955630.db2.gz YPTBXVKTEPKJFF-LLVKDONJSA-N -1 3 265.353 3.042 20 10 CGCDHM C[C@H](N[C@@H](C)c1cc(Cl)ccc1[O-])c1csnn1 ZINC000840885896 635074112 /nfs/dbraw/zinc/07/41/12/635074112.db2.gz HXFMHMABKKDGAU-YUMQZZPRSA-N -1 3 283.784 3.309 20 10 CGCDHM C[C@@H](N[C@H](C)c1cc(Cl)ccc1[O-])c1csnn1 ZINC000840885893 635074332 /nfs/dbraw/zinc/07/43/32/635074332.db2.gz HXFMHMABKKDGAU-HTQZYQBOSA-N -1 3 283.784 3.309 20 10 CGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1CC1CCCC1 ZINC000848356733 636562957 /nfs/dbraw/zinc/56/29/57/636562957.db2.gz ZEALQXQZJPOETO-CYBMUJFWSA-N -1 3 289.375 3.283 20 10 CGCDHM [O-]c1cccc(Cl)c1CNCc1cc(C2CC2)no1 ZINC000886272701 637477633 /nfs/dbraw/zinc/47/76/33/637477633.db2.gz ZGIKFMXBAJTALU-UHFFFAOYSA-N -1 3 278.739 3.201 20 10 CGCDHM COc1ccc(CN[C@@H](C)c2c([O-])cccc2F)cc1O ZINC000886520739 637551830 /nfs/dbraw/zinc/55/18/30/637551830.db2.gz LTRQPFJAHRIVCN-JTQLQIEISA-N -1 3 291.322 3.096 20 10 CGCDHM COC[C@H](N[C@@H](C)c1c([O-])cccc1F)c1ccc(C)o1 ZINC000886534823 637560747 /nfs/dbraw/zinc/56/07/47/637560747.db2.gz PEDDAPTUOJLQKG-AAEUAGOBSA-N -1 3 293.338 3.471 20 10 CGCDHM COCc1ccnc(N[C@@H](C)c2c([O-])cccc2F)c1 ZINC000886633279 637619236 /nfs/dbraw/zinc/61/92/36/637619236.db2.gz QUGIMJUWSQENLM-JTQLQIEISA-N -1 3 276.311 3.246 20 10 CGCDHM C[C@]1(C(=O)NCc2c([O-])cccc2F)C[C@@H]1c1ccccc1 ZINC000928706001 638889431 /nfs/dbraw/zinc/88/94/31/638889431.db2.gz NITNPRHORKZGGB-KDOFPFPSSA-N -1 3 299.345 3.341 20 10 CGCDHM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccns1 ZINC000858578389 638998433 /nfs/dbraw/zinc/99/84/33/638998433.db2.gz VBPXGIAIKBLJGS-IUCAKERBSA-N -1 3 293.348 3.169 20 10 CGCDHM [O-]c1cccc(Cl)c1CNc1ccc(CCO)cc1 ZINC000094755103 640801477 /nfs/dbraw/zinc/80/14/77/640801477.db2.gz UTGXJEHGLXGUHW-UHFFFAOYSA-N -1 3 277.751 3.193 20 10 CGCDHM Cc1nocc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000398011606 799525417 /nfs/dbraw/zinc/52/54/17/799525417.db2.gz MPSSGABGFPIMDE-UHFFFAOYSA-N -1 3 287.146 3.285 20 10 CGCDHM CCO[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000701660296 799890532 /nfs/dbraw/zinc/89/05/32/799890532.db2.gz BSBHUNLGPAEXPO-NSHDSACASA-N -1 3 290.190 3.310 20 10 CGCDHM CN(Cc1ccccc1F)Cc1c([O-])cccc1F ZINC001137837325 803780945 /nfs/dbraw/zinc/78/09/45/803780945.db2.gz BHQCTMUJSJVKNW-UHFFFAOYSA-N -1 3 263.287 3.302 20 10 CGCDHM [O-]c1cccc(Cl)c1CN1CC[C@H](CF)C(F)(F)C1 ZINC001140337835 804418411 /nfs/dbraw/zinc/41/84/11/804418411.db2.gz INACIJNEUQWDMJ-SECBINFHSA-N -1 3 293.716 3.472 20 10 CGCDHM O=C1C[C@H]2CCC[C@@H](C1)N2Cc1c([O-])cccc1Cl ZINC001140341343 804420351 /nfs/dbraw/zinc/42/03/51/804420351.db2.gz IRRKSJMEHSIISQ-PHIMTYICSA-N -1 3 279.767 3.132 20 10 CGCDHM C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(Cl)cc1[O-] ZINC001140464855 804442539 /nfs/dbraw/zinc/44/25/39/804442539.db2.gz CPHBOTPCLUGJFS-JTQLQIEISA-N -1 3 299.798 3.208 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN1CCc2sccc2C1 ZINC001142512973 804728853 /nfs/dbraw/zinc/72/88/53/804728853.db2.gz RMCPDNLHWIPLMX-UHFFFAOYSA-N -1 3 281.327 3.290 20 10 CGCDHM C[N@H+](Cc1ccccc1[O-])Cc1cc(F)c(F)cc1[O-] ZINC001142527017 804731406 /nfs/dbraw/zinc/73/14/06/804731406.db2.gz GTIYYJFVLINRBI-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM C[N@@H+](Cc1ccccc1[O-])Cc1cc(F)c(F)cc1[O-] ZINC001142527017 804731413 /nfs/dbraw/zinc/73/14/13/804731413.db2.gz GTIYYJFVLINRBI-UHFFFAOYSA-N -1 3 279.286 3.008 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CN(Cc1ccco1)C1CC1 ZINC001142527582 804733546 /nfs/dbraw/zinc/73/35/46/804733546.db2.gz ZUQADNDGPTWSOE-UHFFFAOYSA-N -1 3 279.286 3.428 20 10 CGCDHM Cc1ccc2c(cccc2NC(=O)c2cccc(O)c2[O-])n1 ZINC001148218677 805167809 /nfs/dbraw/zinc/16/78/09/805167809.db2.gz GHTNNRSBMXLOSC-UHFFFAOYSA-N -1 3 294.310 3.207 20 10 CGCDHM O=C(Nc1cccc2cncc(F)c21)c1cccc(O)c1[O-] ZINC001148219200 805167862 /nfs/dbraw/zinc/16/78/62/805167862.db2.gz WTSQENUPBUMWKY-UHFFFAOYSA-N -1 3 298.273 3.037 20 10 CGCDHM C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC001148219975 805169704 /nfs/dbraw/zinc/16/97/04/805169704.db2.gz ITFZGACRICEGDL-QMTHXVAHSA-N -1 3 283.327 3.076 20 10 CGCDHM C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC001148219974 805169877 /nfs/dbraw/zinc/16/98/77/805169877.db2.gz ITFZGACRICEGDL-IINYFYTJSA-N -1 3 283.327 3.076 20 10 CGCDHM CC[C@H](CCc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC001166807331 807103145 /nfs/dbraw/zinc/10/31/45/807103145.db2.gz OSXCREYCDUWPLH-CQSZACIVSA-N -1 3 299.370 3.239 20 10 CGCDHM Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC001259523455 807680444 /nfs/dbraw/zinc/68/04/44/807680444.db2.gz QEWVSVOLYGEYCP-UHFFFAOYSA-N -1 3 291.372 3.118 20 10 CGCDHM Oc1cc2ccccc2cc1CNc1ccc(=S)[n-]n1 ZINC001171403025 808047721 /nfs/dbraw/zinc/04/77/21/808047721.db2.gz WUPAIIROVQVIEC-UHFFFAOYSA-N -1 3 283.356 3.236 20 10 CGCDHM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC001292766446 809436996 /nfs/dbraw/zinc/43/69/96/809436996.db2.gz MACMENULSIHFGP-GXTWGEPZSA-N -1 3 291.391 3.433 20 10 CGCDHM [O-]c1c(Cl)cccc1CNCc1cccnc1Cl ZINC001179771648 809943005 /nfs/dbraw/zinc/94/30/05/809943005.db2.gz KFKCHJWIESBZIE-UHFFFAOYSA-N -1 3 283.158 3.384 20 10 CGCDHM Cc1ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c(C)c1 ZINC001215325259 815507136 /nfs/dbraw/zinc/50/71/36/815507136.db2.gz IZJVYRLFAQHJQV-UHFFFAOYSA-N -1 3 298.298 3.137 20 10 CGCDHM [O-]c1cc(F)c(F)cc1CNc1cccc2c1OCC2 ZINC001206680977 813397834 /nfs/dbraw/zinc/39/78/34/813397834.db2.gz ZBQYOVIGDFTHFJ-UHFFFAOYSA-N -1 3 277.270 3.217 20 10 CGCDHM Cc1c2cc[nH]c2ncc1NCc1cc(F)c(F)cc1[O-] ZINC001207858623 813661247 /nfs/dbraw/zinc/66/12/47/813661247.db2.gz XFWJNZBDGGBCLQ-UHFFFAOYSA-N -1 3 289.285 3.419 20 10 CGCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1cccs1 ZINC001226576013 817403327 /nfs/dbraw/zinc/40/33/27/817403327.db2.gz XGSLNZURRYBKKU-SECBINFHSA-N -1 3 294.351 3.153 20 10 CGCDHM [O-]c1c(Cl)cccc1CN1CCCC[C@@H](F)C1 ZINC001231909613 818208844 /nfs/dbraw/zinc/20/88/44/818208844.db2.gz GMBAZRPBTMSROD-LLVKDONJSA-N -1 3 257.736 3.370 20 10 CGCDHM [O-]c1ccc(F)c(F)c1CN1CCCCC12CC2 ZINC001233335311 818586498 /nfs/dbraw/zinc/58/64/98/818586498.db2.gz QCHWOUSQBKQURC-UHFFFAOYSA-N -1 3 253.292 3.189 20 10 CGCDHM C[C@@H]1CCC[C@H](NC(=O)NCc2c([O-])cccc2F)CC1 ZINC001234242131 818813448 /nfs/dbraw/zinc/81/34/48/818813448.db2.gz XRSKEJYRILKOFK-NEPJUHHUSA-N -1 3 294.370 3.299 20 10 CGCDHM COc1ccc2ccc([O-])c(CN3CCCCO3)c2c1 ZINC001234519352 818871394 /nfs/dbraw/zinc/87/13/94/818871394.db2.gz VMLLIOIMSABJJE-UHFFFAOYSA-N -1 3 273.332 3.081 20 10 CGCDHM COC1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236792481 819596956 /nfs/dbraw/zinc/59/69/56/819596956.db2.gz DPFXGKAMMDMLKJ-UHFFFAOYSA-N -1 3 290.190 3.310 20 10 CGCDHM C[C@@H]1COCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236794840 819597169 /nfs/dbraw/zinc/59/71/69/819597169.db2.gz VKIBYMAXRRAVEB-VIFPVBQESA-N -1 3 290.190 3.167 20 10 CGCDHM C[C@]1(CF)CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237616476 819787265 /nfs/dbraw/zinc/78/72/65/819787265.db2.gz DXPGSZXLIKHSBX-CYBMUJFWSA-N -1 3 275.726 3.366 20 10 CGCDHM