smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142527060 806619644 /nfs/dbraw/zinc/61/96/44/806619644.db2.gz IZJUVCCVWLKKKL-JTQLQIEISA-N -1 3 269.291 2.471 20 10 CECDHM C[C@@H]1CN(Cc2c([O-])cc(F)cc2F)CC[C@@]1(C)O ZINC001140582367 803177643 /nfs/dbraw/zinc/17/76/43/803177643.db2.gz HBWWBBJBUDHFDN-YMTOWFKASA-N -1 3 271.307 2.263 20 10 CECDHM COC(=O)N(C)CCN(C)Cc1c([O-])cccc1Cl ZINC000690817488 803745983 /nfs/dbraw/zinc/74/59/83/803745983.db2.gz WBGNDVYIJLOUKU-UHFFFAOYSA-N -1 3 286.759 2.176 20 10 CECDHM C[C@@H]1C[C@H](O)CN1Cc1c([O-])ccc(F)c1Cl ZINC001237122477 808194269 /nfs/dbraw/zinc/19/42/69/808194269.db2.gz UZCWXDLSLZRVGL-SFYZADRCSA-N -1 3 259.708 2.140 20 10 CECDHM CC1(C)C[C@@H](NC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000921646168 808735579 /nfs/dbraw/zinc/73/55/79/808735579.db2.gz WALURSLEFRWJBM-JTQLQIEISA-N -1 3 296.342 2.288 20 10 CECDHM CCOC(=O)[C@H]1CN(Cc2c([O-])cccc2F)CCS1 ZINC001137840078 809857338 /nfs/dbraw/zinc/85/73/38/809857338.db2.gz RISXFOWVLWJFKD-CYBMUJFWSA-N -1 3 299.367 2.012 20 10 CECDHM CC(C)[C@@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC000709021842 809939784 /nfs/dbraw/zinc/93/97/84/809939784.db2.gz TVJRZWJXQRSRLM-ZDUSSCGKSA-N -1 3 253.317 2.388 20 10 CECDHM O=C(CNc1ccc2[nH]cnc2c1)c1ccc([O-])c(O)c1 ZINC001170322180 812386785 /nfs/dbraw/zinc/38/67/85/812386785.db2.gz GJMXXGVLOUAAHH-UHFFFAOYSA-N -1 3 283.287 2.269 20 10 CECDHM O=C(Nc1nccc2cnccc21)c1cccc(O)c1[O-] ZINC001148211921 814536093 /nfs/dbraw/zinc/53/60/93/814536093.db2.gz CNPFNCFNIQHKHU-UHFFFAOYSA-N -1 3 281.271 2.293 20 10 CECDHM O=C(Nc1nnccc1C(F)(F)F)c1cccc(O)c1[O-] ZINC001148212261 814536480 /nfs/dbraw/zinc/53/64/80/814536480.db2.gz UMEYEXAQBKSXMC-UHFFFAOYSA-N -1 3 299.208 2.159 20 10 CECDHM O=C(Nc1cccc2cnncc21)c1cccc(O)c1[O-] ZINC001148218498 814537569 /nfs/dbraw/zinc/53/75/69/814537569.db2.gz BWWONEACBSHJMX-UHFFFAOYSA-N -1 3 281.271 2.293 20 10 CECDHM O=C(Nc1nccnc1C1CC1)c1cccc(O)c1[O-] ZINC001148213158 814538209 /nfs/dbraw/zinc/53/82/09/814538209.db2.gz YOOFZXJREQBAIH-UHFFFAOYSA-N -1 3 271.276 2.018 20 10 CECDHM O=C(NCc1ccc2c(c1)CCC2)c1cc(O)c([O-])c(O)c1 ZINC001148581194 814590387 /nfs/dbraw/zinc/59/03/87/814590387.db2.gz OQQGHWYGTPKMHA-UHFFFAOYSA-N -1 3 299.326 2.222 20 10 CECDHM O=C(Nc1nc2c(s1)CCC2)c1cc(O)c([O-])c(O)c1 ZINC001148580003 814590743 /nfs/dbraw/zinc/59/07/43/814590743.db2.gz DIGMUIBNHJYECJ-UHFFFAOYSA-N -1 3 292.316 2.001 20 10 CECDHM COC[C@@H]1CCCN1Cc1c(F)ccc(F)c1[O-] ZINC001139683190 814730030 /nfs/dbraw/zinc/73/00/30/814730030.db2.gz BBWVDAMQUPJCSN-VIFPVBQESA-N -1 3 257.280 2.281 20 10 CECDHM C[C@]1(O)CCCN(Cc2c([O-])c(F)ccc2F)C1 ZINC001139683268 816076125 /nfs/dbraw/zinc/07/61/25/816076125.db2.gz JXUQFEWSLDGJAQ-ZDUSSCGKSA-N -1 3 257.280 2.017 20 10 CECDHM C[C@@]1(CO)CC(F)(F)CN1Cc1cc(F)ccc1[O-] ZINC001140057195 816179223 /nfs/dbraw/zinc/17/92/23/816179223.db2.gz CSYJSVUFPIGOMF-LBPRGKRZSA-N -1 3 275.270 2.123 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCN(CC(F)F)CC1 ZINC001140465546 816260143 /nfs/dbraw/zinc/26/01/43/816260143.db2.gz NITINNWHAMWCMF-UHFFFAOYSA-N -1 3 290.741 2.428 20 10 CECDHM COC(=O)N1CCCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140462989 816260292 /nfs/dbraw/zinc/26/02/92/816260292.db2.gz RDHKJZREJSFWBE-UHFFFAOYSA-N -1 3 298.770 2.320 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001140463086 816261175 /nfs/dbraw/zinc/26/11/75/816261175.db2.gz SBFLZAIFJFICIW-VZJVUDMVSA-N -1 3 297.782 2.017 20 10 CECDHM CN(Cc1c([O-])cc(F)cc1F)[C@@H]1CCCOC1 ZINC001140585263 816295208 /nfs/dbraw/zinc/29/52/08/816295208.db2.gz BXQQRQOJXJMHQV-SNVBAGLBSA-N -1 3 257.280 2.281 20 10 CECDHM Cc1ccc(C(=O)Nc2ccc(O)cc2O)c([O-])c1O ZINC001176497531 816429663 /nfs/dbraw/zinc/42/96/63/816429663.db2.gz KOBXTSKATBSKRX-UHFFFAOYSA-N -1 3 275.260 2.070 20 10 CECDHM COC(=O)[C@@H]1CC[C@@H](C)N(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508677 816677180 /nfs/dbraw/zinc/67/71/80/816677180.db2.gz HLEIXHOXGNBSQC-NXEZZACHSA-N -1 3 299.317 2.444 20 10 CECDHM COCc1cncc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001178412620 816743938 /nfs/dbraw/zinc/74/39/38/816743938.db2.gz BSSBGDYMDWASJY-UHFFFAOYSA-N -1 3 290.294 2.003 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCOC2)c1[O-] ZINC000135148818 366402461 /nfs/dbraw/zinc/40/24/61/366402461.db2.gz NEQJPNXONGSXJC-LBPRGKRZSA-N -1 3 283.755 2.469 20 10 CECDHM C[C@H](N[C@@H](C)c1cc(Cl)ccc1[O-])C(=O)NCCF ZINC000282791853 299345174 /nfs/dbraw/zinc/34/51/74/299345174.db2.gz QGWQSNNDESBELX-IUCAKERBSA-N -1 3 288.750 2.170 20 10 CECDHM CNC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000179786859 368352273 /nfs/dbraw/zinc/35/22/73/368352273.db2.gz RKZOCLICKDJXBH-LBPRGKRZSA-N -1 3 282.771 2.064 20 10 CECDHM CC(C)OC(=O)[C@@H](C)N(C)Cc1cc(F)ccc1[O-] ZINC000180226780 368373382 /nfs/dbraw/zinc/37/33/82/368373382.db2.gz YFSOWALBJXJPGW-SNVBAGLBSA-N -1 3 269.316 2.303 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CC(F)(F)C[C@@H]1CO ZINC000364651029 372783816 /nfs/dbraw/zinc/78/38/16/372783816.db2.gz HWGPJLBVLGWBLF-SNVBAGLBSA-N -1 3 277.698 2.248 20 10 CECDHM C[C@@H]1CC[S@@](=O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000365446120 372861721 /nfs/dbraw/zinc/86/17/21/372861721.db2.gz GQVUBLDEHKSZSM-MLCYQJTMSA-N -1 3 287.812 2.389 20 10 CECDHM COCC[C@H]1CCCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000365769450 372929026 /nfs/dbraw/zinc/92/90/26/372929026.db2.gz UZSURFIGXJZITH-GFCCVEGCSA-N -1 3 293.363 2.377 20 10 CECDHM [O-]c1ccccc1CN1CCN(Cc2ccco2)CC1 ZINC000271236673 373185222 /nfs/dbraw/zinc/18/52/22/373185222.db2.gz CPVSRCMKXDDRMU-UHFFFAOYSA-N -1 3 272.348 2.303 20 10 CECDHM CCN(CC(=O)OC)Cc1cc(Cl)cc(C)c1[O-] ZINC000271728747 373201818 /nfs/dbraw/zinc/20/18/18/373201818.db2.gz MKYBSTWFXRASBC-UHFFFAOYSA-N -1 3 271.744 2.349 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000272214346 373364974 /nfs/dbraw/zinc/36/49/74/373364974.db2.gz AZXDYLMBUQEZTF-PWSUYJOCSA-N -1 3 293.260 2.419 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)c([O-])c1O ZINC000272909354 373706559 /nfs/dbraw/zinc/70/65/59/373706559.db2.gz CVNDAMNVSGZSPF-DGCLKSJQSA-N -1 3 293.363 2.340 20 10 CECDHM Cc1ccc(C(=O)NCC[C@H]2CCO[C@H](C)C2)c([O-])c1O ZINC000273222721 373749855 /nfs/dbraw/zinc/74/98/55/373749855.db2.gz UBXWPYNOOZKLEU-NEPJUHHUSA-N -1 3 293.363 2.341 20 10 CECDHM Cc1ccc(C(=O)N[C@@]2(C)CCO[C@H]2C2CC2)c([O-])c1O ZINC000273446254 373756732 /nfs/dbraw/zinc/75/67/32/373756732.db2.gz GROCJZPAMUGHEW-HOCLYGCPSA-N -1 3 291.347 2.094 20 10 CECDHM C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000273536957 373762373 /nfs/dbraw/zinc/76/23/73/373762373.db2.gz XOEKHWIGISUDCH-TVQRCGJNSA-N -1 3 295.770 2.163 20 10 CECDHM CC(C)(O)c1nnc(NCc2c([O-])cccc2Cl)o1 ZINC000283794133 375762348 /nfs/dbraw/zinc/76/23/48/375762348.db2.gz GZWJCDAAOYOYBO-UHFFFAOYSA-N -1 3 283.715 2.268 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@]2(CCCOC2)C1 ZINC000289326758 376391015 /nfs/dbraw/zinc/39/10/15/376391015.db2.gz GJEZELWNIZIPAE-OAHLLOKOSA-N -1 3 297.782 2.427 20 10 CECDHM CCOC1(CNC(=O)c2ccc(C)c(O)c2[O-])CCCC1 ZINC000294321874 377980112 /nfs/dbraw/zinc/98/01/12/377980112.db2.gz XAEGPYBXUKPPSC-UHFFFAOYSA-N -1 3 293.363 2.485 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](C)C(C)(C)O)c1[O-] ZINC000295047434 378037452 /nfs/dbraw/zinc/03/74/52/378037452.db2.gz AVWXBGNWNBSFQK-JTQLQIEISA-N -1 3 283.343 2.325 20 10 CECDHM CN(C)C(=O)O[C@@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000294817030 378021081 /nfs/dbraw/zinc/02/10/81/378021081.db2.gz ONXPXXXYXOCQCZ-CYBMUJFWSA-N -1 3 296.342 2.194 20 10 CECDHM CCc1nnc(CNCc2cccc(Cl)c2[O-])[nH]1 ZINC000295934431 378360735 /nfs/dbraw/zinc/36/07/35/378360735.db2.gz FWPUWJWRSNEYCC-UHFFFAOYSA-N -1 3 266.732 2.016 20 10 CECDHM CCc1nc(CNCc2cccc(Cl)c2[O-])n[nH]1 ZINC000295934431 378360739 /nfs/dbraw/zinc/36/07/39/378360739.db2.gz FWPUWJWRSNEYCC-UHFFFAOYSA-N -1 3 266.732 2.016 20 10 CECDHM Cc1cccnc1CCCNC(=O)c1cccc(O)c1[O-] ZINC000296403525 378519586 /nfs/dbraw/zinc/51/95/86/378519586.db2.gz JSRVLFLXJMIWNJ-UHFFFAOYSA-N -1 3 286.331 2.164 20 10 CECDHM COCCC1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000529635294 380181463 /nfs/dbraw/zinc/18/14/63/380181463.db2.gz UKATUQNGIXGTJU-UHFFFAOYSA-N -1 3 293.363 2.295 20 10 CECDHM CCn1nc(C)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000530132817 380194701 /nfs/dbraw/zinc/19/47/01/380194701.db2.gz KDQHVUFOYRRFNC-UHFFFAOYSA-N -1 3 275.308 2.183 20 10 CECDHM CC(C)OCCS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000093666487 394668485 /nfs/dbraw/zinc/66/84/85/394668485.db2.gz SGCRWLXDCLGNMU-UHFFFAOYSA-N -1 3 293.772 2.212 20 10 CECDHM CCCN(Cc1ccccc1[O-])[C@H](C)c1nncn1C ZINC000287821689 395046764 /nfs/dbraw/zinc/04/67/64/395046764.db2.gz PRDYKWADMWVEEX-GFCCVEGCSA-N -1 3 274.368 2.494 20 10 CECDHM CO[C@H](C)CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289943281 395091803 /nfs/dbraw/zinc/09/18/03/395091803.db2.gz XIDVHJBIPPVPIX-MRVPVSSYSA-N -1 3 288.731 2.421 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c([O-])c1O ZINC000182818818 395248541 /nfs/dbraw/zinc/24/85/41/395248541.db2.gz AMOOOVSWESBBRV-QLFBSQMISA-N -1 3 295.338 2.474 20 10 CECDHM CCC1(CO)CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000182956029 395249840 /nfs/dbraw/zinc/24/98/40/395249840.db2.gz ABWDUPCXZVJBPW-UHFFFAOYSA-N -1 3 293.363 2.031 20 10 CECDHM CC(=O)NC[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000183379412 395255412 /nfs/dbraw/zinc/25/54/12/395255412.db2.gz GOVINMVGHUJOMD-GFCCVEGCSA-N -1 3 296.798 2.394 20 10 CECDHM O=C(NCC1(C2CC2)CCC1)c1cccc(O)c1[O-] ZINC000193145383 228157826 /nfs/dbraw/zinc/15/78/26/228157826.db2.gz CCJYLQFQWTZQSI-UHFFFAOYSA-N -1 3 261.321 2.408 20 10 CECDHM CCC[C@](C)(NCc1cc(F)ccc1[O-])C(=O)OC ZINC000184046771 262006496 /nfs/dbraw/zinc/00/64/96/262006496.db2.gz QHMDQSWYDRBDFY-AWEZNQCLSA-N -1 3 269.316 2.353 20 10 CECDHM CNC(=O)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000124523467 262553407 /nfs/dbraw/zinc/55/34/07/262553407.db2.gz ADWYDQJZIGLTGO-UHFFFAOYSA-N -1 3 282.771 2.004 20 10 CECDHM [O-]c1c(Cl)cccc1CN1C[C@@H](O)C2(CC2)C1 ZINC000368800346 267206023 /nfs/dbraw/zinc/20/60/23/267206023.db2.gz NLNAAKHSVSYBPO-LLVKDONJSA-N -1 3 253.729 2.002 20 10 CECDHM O=C(/C=C\c1cncc([O-])c1)N1CCOc2ccccc21 ZINC000255711087 327007008 /nfs/dbraw/zinc/00/70/08/327007008.db2.gz NVDVQPOBHROJKD-WAYWQWQTSA-N -1 3 282.299 2.226 20 10 CECDHM CC(C)(C)C(=O)NCCNCc1c([O-])cccc1Cl ZINC000264940724 518583518 /nfs/dbraw/zinc/58/35/18/518583518.db2.gz GHPUQEQEWNKWBU-UHFFFAOYSA-N -1 3 284.787 2.298 20 10 CECDHM CC(C)C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000279800888 519419588 /nfs/dbraw/zinc/41/95/88/519419588.db2.gz JSRXZQFCXUNGMN-NEPJUHHUSA-N -1 3 293.363 2.421 20 10 CECDHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1ncnn1C ZINC000276642051 525531813 /nfs/dbraw/zinc/53/18/13/525531813.db2.gz OWOAHINPMHRDGC-IUCAKERBSA-N -1 3 264.304 2.072 20 10 CECDHM C[C@@H](N[C@@H](C)c1ncnn1C)c1cc(F)ccc1[O-] ZINC000276605532 525624812 /nfs/dbraw/zinc/62/48/12/525624812.db2.gz KTBUECQUUILUHK-BDAKNGLRSA-N -1 3 264.304 2.072 20 10 CECDHM Cc1ccc(C(=O)N(CC2CCC2)[C@@H](C)CO)c([O-])c1O ZINC000280640304 526070838 /nfs/dbraw/zinc/07/08/38/526070838.db2.gz CJNZRUFRAZKJJU-NSHDSACASA-N -1 3 293.363 2.029 20 10 CECDHM [O-]c1ccccc1CN1CCOC[C@@H]1CC(F)F ZINC000289631946 526371365 /nfs/dbraw/zinc/37/13/65/526371365.db2.gz MBQWSTNBKDCQIF-NSHDSACASA-N -1 3 257.280 2.248 20 10 CECDHM COC(=O)c1ccc([O-])c([C@H]2Nc3ccccc3C(=O)N2)c1 ZINC000726796841 574430422 /nfs/dbraw/zinc/43/04/22/574430422.db2.gz KEMCYAGQCXOTOW-AWEZNQCLSA-N -1 3 298.298 2.033 20 10 CECDHM CC(C)C(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000728299737 574463904 /nfs/dbraw/zinc/46/39/04/574463904.db2.gz MLFCGKBNGUOUHR-UHFFFAOYSA-N -1 3 296.798 2.346 20 10 CECDHM COc1c(C)cnc(CNC(=O)c2cc([O-])cs2)c1C ZINC000731872755 574604724 /nfs/dbraw/zinc/60/47/24/574604724.db2.gz QBBNSXUJUUKZBC-UHFFFAOYSA-N -1 3 292.360 2.404 20 10 CECDHM C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc([O-])cs1 ZINC000731909623 574605652 /nfs/dbraw/zinc/60/56/52/574605652.db2.gz GKSJEZQWNXRTQR-NXEZZACHSA-N -1 3 297.376 2.400 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC[C@H](n2ccnc2)C1 ZINC000732285672 574618027 /nfs/dbraw/zinc/61/80/27/574618027.db2.gz FKQPLHUQNMQGIK-JTQLQIEISA-N -1 3 277.349 2.128 20 10 CECDHM CCc1nc(CNC(=O)c2cc([O-])cs2)cs1 ZINC000732289939 574618343 /nfs/dbraw/zinc/61/83/43/574618343.db2.gz MILLQURDWISCIO-UHFFFAOYSA-N -1 3 268.363 2.403 20 10 CECDHM Cc1csc(CCNC(=O)c2cc([O-])cs2)n1 ZINC000732267160 574616465 /nfs/dbraw/zinc/61/64/65/574616465.db2.gz CJQNTROPGUZKKS-UHFFFAOYSA-N -1 3 268.363 2.191 20 10 CECDHM CC(C)CCNC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732355476 574619710 /nfs/dbraw/zinc/61/97/10/574619710.db2.gz NYXOXFWSNOZTGF-VIFPVBQESA-N -1 3 285.365 2.161 20 10 CECDHM COC(=O)c1cc2ccccc2c(CN(C)OC)c1[O-] ZINC000732451138 574621977 /nfs/dbraw/zinc/62/19/77/574621977.db2.gz OMIQCZVMGMAGQS-UHFFFAOYSA-N -1 3 275.304 2.325 20 10 CECDHM O=C(Nc1ccn(-c2ccncc2)n1)c1cc([O-])cs1 ZINC000733809359 574687297 /nfs/dbraw/zinc/68/72/97/574687297.db2.gz JPPXRZAQGPCTOR-UHFFFAOYSA-N -1 3 286.316 2.287 20 10 CECDHM COc1ccc(O)c(CNc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737107005 574810962 /nfs/dbraw/zinc/81/09/62/574810962.db2.gz YARHSUZOSZZNML-UHFFFAOYSA-N -1 3 297.318 2.193 20 10 CECDHM COc1ccc(O)c(CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737107005 574810963 /nfs/dbraw/zinc/81/09/63/574810963.db2.gz YARHSUZOSZZNML-UHFFFAOYSA-N -1 3 297.318 2.193 20 10 CECDHM Cc1noc(C)c1C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000738545809 574867282 /nfs/dbraw/zinc/86/72/82/574867282.db2.gz QGXJTPHCGZAWIC-ZETCQYMHSA-N -1 3 280.349 2.420 20 10 CECDHM O=C(NC[C@@H](O)c1c(F)cccc1F)c1cc([O-])cs1 ZINC000740933650 574971361 /nfs/dbraw/zinc/97/13/61/574971361.db2.gz VMLAXPQMOXYGDI-SNVBAGLBSA-N -1 3 299.298 2.195 20 10 CECDHM CSC1(CNC(=O)c2cc([O-])cs2)CCOCC1 ZINC000743701417 575108949 /nfs/dbraw/zinc/10/89/49/575108949.db2.gz UDGQLLQQADFZMP-UHFFFAOYSA-N -1 3 287.406 2.096 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC2(C1)CCOCC2 ZINC000743817574 575110032 /nfs/dbraw/zinc/11/00/32/575110032.db2.gz ZZCLHFJWCXRMGQ-UHFFFAOYSA-N -1 3 267.350 2.096 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC[C@@]2(CCCOC2)C1 ZINC000746894058 575164961 /nfs/dbraw/zinc/16/49/61/575164961.db2.gz DCLVKQMDLRSXQN-CQSZACIVSA-N -1 3 281.377 2.487 20 10 CECDHM COc1ccc(CN(C)C(=O)c2cc([O-])cs2)cn1 ZINC000749292642 575212377 /nfs/dbraw/zinc/21/23/77/575212377.db2.gz UZFRFXAYPOYMHS-UHFFFAOYSA-N -1 3 278.333 2.130 20 10 CECDHM CC(C)C[N@H+](CCC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000833486406 605478794 /nfs/dbraw/zinc/47/87/94/605478794.db2.gz HNFXWZCPNUMQQZ-UHFFFAOYSA-N -1 3 269.316 2.464 20 10 CECDHM CC(C)C[N@@H+](CCC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000833486406 605478799 /nfs/dbraw/zinc/47/87/99/605478799.db2.gz HNFXWZCPNUMQQZ-UHFFFAOYSA-N -1 3 269.316 2.464 20 10 CECDHM CCN(CCC[NH2+][C@H](C)c1ccccc1[O-])C(=O)[O-] ZINC000833858039 606037893 /nfs/dbraw/zinc/03/78/93/606037893.db2.gz RZWYKYRKZDOEOO-LLVKDONJSA-N -1 3 266.341 2.433 20 10 CECDHM CC1(CC(F)F)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000844006628 622985499 /nfs/dbraw/zinc/98/54/99/622985499.db2.gz FQAUKBZNBXOFSJ-UHFFFAOYSA-N -1 3 271.263 2.215 20 10 CECDHM O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000086773087 623351647 /nfs/dbraw/zinc/35/16/47/623351647.db2.gz YLJQNNIAIQTJNQ-LBPRGKRZSA-N -1 3 289.253 2.231 20 10 CECDHM O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000086773087 623351653 /nfs/dbraw/zinc/35/16/53/623351653.db2.gz YLJQNNIAIQTJNQ-LBPRGKRZSA-N -1 3 289.253 2.231 20 10 CECDHM O=C(N[C@H]1CC2CCC1CC2)c1cccc(O)c1[O-] ZINC000311685745 627691270 /nfs/dbraw/zinc/69/12/70/627691270.db2.gz JOBSWROCEVBCNP-CBINBANVSA-N -1 3 261.321 2.406 20 10 CECDHM O=C(Nc1cc(F)ccc1O)c1cccc(O)c1[O-] ZINC000187166534 628267287 /nfs/dbraw/zinc/26/72/87/628267287.db2.gz MSSHJLCGRBEMHT-UHFFFAOYSA-N -1 3 263.224 2.195 20 10 CECDHM CC(=O)N(C)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893977635 629072056 /nfs/dbraw/zinc/07/20/56/629072056.db2.gz HRBOFGOTVGAHRF-UHFFFAOYSA-N -1 3 298.333 2.113 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CC([C@@H]2CCOC2)C1 ZINC000894604062 629549383 /nfs/dbraw/zinc/54/93/83/629549383.db2.gz HWMHEAIYQPUNAK-SECBINFHSA-N -1 3 269.291 2.139 20 10 CECDHM Cc1nnc([C@@H](C)NCc2cc(Cl)c(F)cc2[O-])[nH]1 ZINC000894774884 629629372 /nfs/dbraw/zinc/62/93/72/629629372.db2.gz YXLDNJPQNUPBMC-ZCFIWIBFSA-N -1 3 284.722 2.462 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CC[C@@H](n2cccn2)C1 ZINC000894816836 629658345 /nfs/dbraw/zinc/65/83/45/629658345.db2.gz WTYIKXYJDVLTNK-GFCCVEGCSA-N -1 3 279.290 2.314 20 10 CECDHM Cn1c(Cl)cnc1CNCc1c([O-])cccc1F ZINC000896638898 630622010 /nfs/dbraw/zinc/62/20/10/630622010.db2.gz RUWWWBMBWFOTDE-UHFFFAOYSA-N -1 3 269.707 2.208 20 10 CECDHM [O-]c1c(F)cc(F)cc1CNCc1cnn(CCF)c1 ZINC000897728986 631885889 /nfs/dbraw/zinc/88/58/89/631885889.db2.gz RUELAXSUDNVLCA-UHFFFAOYSA-N -1 3 285.269 2.126 20 10 CECDHM Cn1cnc(CNCc2cc(Cl)c(F)cc2[O-])c1 ZINC000898043130 632034846 /nfs/dbraw/zinc/03/48/46/632034846.db2.gz FVMWCQHCNKNNRS-UHFFFAOYSA-N -1 3 269.707 2.208 20 10 CECDHM C[C@H](NCc1cncn1C)c1cc(F)cc(F)c1[O-] ZINC000810244298 632197779 /nfs/dbraw/zinc/19/77/79/632197779.db2.gz ZPEJNTXDLQIDJY-QMMMGPOBSA-N -1 3 267.279 2.255 20 10 CECDHM CCN1CN(Cc2ccc3ccccc3c2[O-])CC1=O ZINC000816592101 633418629 /nfs/dbraw/zinc/41/86/29/633418629.db2.gz YENQXAJWINEXBN-UHFFFAOYSA-N -1 3 270.332 2.167 20 10 CECDHM COC[C@@H]1CCN1Cc1c([O-])ccc(Cl)c1F ZINC000816636812 633454008 /nfs/dbraw/zinc/45/40/08/633454008.db2.gz ITQFIWVDYZGJKN-QMMMGPOBSA-N -1 3 259.708 2.405 20 10 CECDHM CCn1nc(C)c(CN[C@@H](C)c2ccc(F)cc2[O-])n1 ZINC000818347427 633915376 /nfs/dbraw/zinc/91/53/76/633915376.db2.gz ZQKKYORZLQYPEX-VIFPVBQESA-N -1 3 278.331 2.302 20 10 CECDHM [O-]c1cccc(Cl)c1CN[C@H]1CCn2ccnc21 ZINC000824526369 635442298 /nfs/dbraw/zinc/44/22/98/635442298.db2.gz KGIUVNCJCPCJHG-NSHDSACASA-N -1 3 263.728 2.477 20 10 CECDHM CNC(=O)[C@H]1CCCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000824560981 635451546 /nfs/dbraw/zinc/45/15/46/635451546.db2.gz NSQFUWVIFRKDLZ-CYBMUJFWSA-N -1 3 296.798 2.455 20 10 CECDHM Cc1nnc2n1CCN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC000824748092 635491002 /nfs/dbraw/zinc/49/10/02/635491002.db2.gz IEYIFRYXQQOBMZ-UHFFFAOYSA-N -1 3 292.770 2.270 20 10 CECDHM CCO[C@@H]1COC[C@H]1NCc1c([O-])ccc(Cl)c1F ZINC000825196575 635589801 /nfs/dbraw/zinc/58/98/01/635589801.db2.gz JOZNZFANFIOKAZ-ZYHUDNBSSA-N -1 3 289.734 2.078 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@@H](C)C[C@@H]2C(N)=O)cc1Cl ZINC000825568203 635666256 /nfs/dbraw/zinc/66/62/56/635666256.db2.gz UCTHENMRIFSCBL-NOZJJQNGSA-N -1 3 296.798 2.440 20 10 CECDHM CN(Cc1c[nH]cn1)Cc1cccc(Cl)c1[O-] ZINC000826768518 635840939 /nfs/dbraw/zinc/84/09/39/635840939.db2.gz BHTRZFUVJCYZSS-UHFFFAOYSA-N -1 3 251.717 2.401 20 10 CECDHM CN(Cc1cnc[nH]1)Cc1cccc(Cl)c1[O-] ZINC000826768518 635840943 /nfs/dbraw/zinc/84/09/43/635840943.db2.gz BHTRZFUVJCYZSS-UHFFFAOYSA-N -1 3 251.717 2.401 20 10 CECDHM O=C(NCc1c([O-])cccc1F)[C@]12C[C@H]1COC21CCC1 ZINC000830180104 637001355 /nfs/dbraw/zinc/00/13/55/637001355.db2.gz HRVQQJNXTMYLQL-QFYYESIMSA-N -1 3 291.322 2.107 20 10 CECDHM O=C([O-])N1CCC[C@@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC000834106606 637759729 /nfs/dbraw/zinc/75/97/29/637759729.db2.gz LOZJFKSIKYDALI-GFCCVEGCSA-N -1 3 264.325 2.014 20 10 CECDHM Cc1cc([O-])c(CNCc2cc[nH]n2)c(Cl)c1 ZINC000840895450 639575741 /nfs/dbraw/zinc/57/57/41/639575741.db2.gz MUCXZQYAWDTOFI-UHFFFAOYSA-N -1 3 251.717 2.367 20 10 CECDHM CCN(CC(=O)N(C)C)Cc1c([O-])cc(C)cc1Cl ZINC000840911257 639579223 /nfs/dbraw/zinc/57/92/23/639579223.db2.gz ZDFCPAZAXXOLEY-UHFFFAOYSA-N -1 3 284.787 2.264 20 10 CECDHM CCC[C@@H]1C(=O)NCCN1Cc1c([O-])cc(C)cc1Cl ZINC000840917343 639585791 /nfs/dbraw/zinc/58/57/91/639585791.db2.gz SQGBMYVRAZQRLI-CYBMUJFWSA-N -1 3 296.798 2.455 20 10 CECDHM Cc1nonc1CNCc1c([O-])cc(C)cc1Cl ZINC000840948942 639597850 /nfs/dbraw/zinc/59/78/50/639597850.db2.gz MZPMDXDHWYCKHO-UHFFFAOYSA-N -1 3 267.716 2.335 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](OC2CCC2)C1 ZINC000848301764 641957306 /nfs/dbraw/zinc/95/73/06/641957306.db2.gz DUVVLFCPVIFGTF-LBPRGKRZSA-N -1 3 291.347 2.272 20 10 CECDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCCO1 ZINC000848350539 641966563 /nfs/dbraw/zinc/96/65/63/641966563.db2.gz QJLMZNSLYICEBO-YPMHNXCESA-N -1 3 279.336 2.175 20 10 CECDHM Cc1cnc([C@@H](C)NC(=O)c2cccc(O)c2[O-])s1 ZINC000126525517 650727991 /nfs/dbraw/zinc/72/79/91/650727991.db2.gz OOEZCRXMZQEKML-MRVPVSSYSA-N -1 3 278.333 2.354 20 10 CECDHM CCCN1CC(=O)N[C@H]1c1cc(Cl)c(C)cc1[O-] ZINC000849182189 642280603 /nfs/dbraw/zinc/28/06/03/642280603.db2.gz DATWGHNFZYWUQP-CYBMUJFWSA-N -1 3 268.744 2.194 20 10 CECDHM C[C@H]1C[C@H](NCc2cc(Cl)ccc2[O-])c2ncnn21 ZINC000850351406 642678084 /nfs/dbraw/zinc/67/80/84/642678084.db2.gz BCLSRAVUHGHHLY-KWQFWETISA-N -1 3 278.743 2.433 20 10 CECDHM O=C(NCC[C@@H]1CCCCO1)NCc1c([O-])cccc1F ZINC000921874767 642770453 /nfs/dbraw/zinc/77/04/53/642770453.db2.gz MDNXDAUSJWZLKN-NSHDSACASA-N -1 3 296.342 2.290 20 10 CECDHM COC(OC)[C@@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000922313496 643024206 /nfs/dbraw/zinc/02/42/06/643024206.db2.gz QPCQAGOUBSETRE-SSDOTTSWSA-N -1 3 277.723 2.282 20 10 CECDHM CC[C@@H](C)CONC(=O)NCc1c([O-])cccc1F ZINC000922579059 643138015 /nfs/dbraw/zinc/13/80/15/643138015.db2.gz ORXMBZAQVBOOIN-SECBINFHSA-N -1 3 270.304 2.308 20 10 CECDHM Cn1ncc2c1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC000877632783 650824209 /nfs/dbraw/zinc/82/42/09/650824209.db2.gz NFOOFKCWJMEQAP-UHFFFAOYSA-N -1 3 263.728 2.295 20 10 CECDHM O=C(NCCOc1cccc(F)c1)c1cccc(O)c1[O-] ZINC000186923314 643361303 /nfs/dbraw/zinc/36/13/03/643361303.db2.gz GYKFHSZUQUVNTJ-UHFFFAOYSA-N -1 3 291.278 2.046 20 10 CECDHM Cc1nc(C)c(CCNC(=O)c2cccc(O)c2[O-])s1 ZINC000187080790 643553023 /nfs/dbraw/zinc/55/30/23/643553023.db2.gz FDXMORVABHWWRT-UHFFFAOYSA-N -1 3 292.360 2.144 20 10 CECDHM Cc1cc(CNCc2c([O-])cccc2Cl)ncn1 ZINC000756989265 644716319 /nfs/dbraw/zinc/71/63/19/644716319.db2.gz CHLPEIJOANHVSX-UHFFFAOYSA-N -1 3 263.728 2.434 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCN(C)[C@H](C)[C@@H]2C)c1[O-] ZINC000771467641 646522584 /nfs/dbraw/zinc/52/25/84/646522584.db2.gz UPKGXCBAHSKFIT-MNOVXSKESA-N -1 3 294.370 2.258 20 10 CECDHM COc1c([O-])c(CN2CC=CCC2)ccc1[N+](=O)[O-] ZINC000775057246 646919925 /nfs/dbraw/zinc/91/99/25/646919925.db2.gz NBMRWCBWJRXKFG-UHFFFAOYSA-N -1 3 264.281 2.071 20 10 CECDHM Cc1noc(C)c1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780914091 647480267 /nfs/dbraw/zinc/48/02/67/647480267.db2.gz DYYNPCGGAQQXOH-UHFFFAOYSA-N -1 3 262.265 2.263 20 10 CECDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(O)c1 ZINC000785427836 647928093 /nfs/dbraw/zinc/92/80/93/647928093.db2.gz VSBAJKYGVFWEIT-UHFFFAOYSA-N -1 3 289.287 2.373 20 10 CECDHM COc1nn(C)cc1N[C@H](C)c1ccc(F)cc1[O-] ZINC000788983793 648241879 /nfs/dbraw/zinc/24/18/79/648241879.db2.gz GZSQXVJRNFXEKX-MRVPVSSYSA-N -1 3 265.288 2.447 20 10 CECDHM CC1(C)CN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1O ZINC000790937121 648461667 /nfs/dbraw/zinc/46/16/67/648461667.db2.gz ILEWJOYIRCRQCV-NSHDSACASA-N -1 3 273.735 2.387 20 10 CECDHM C[C@@H]1c2nncn2CCN1Cc1cc(Cl)ccc1[O-] ZINC000792186034 648621597 /nfs/dbraw/zinc/62/15/97/648621597.db2.gz FVUBGDPXKDVLLW-SECBINFHSA-N -1 3 278.743 2.214 20 10 CECDHM COc1ccc([C@@H]2C[C@H]2NC(=O)c2cccc(O)c2[O-])cc1 ZINC000794158405 648833782 /nfs/dbraw/zinc/83/37/82/648833782.db2.gz XFPRFZMFUHSFOD-UONOGXRCSA-N -1 3 299.326 2.392 20 10 CECDHM O=C(NC[C@@H]1CCC12CCOCC2)c1cccc(O)c1[O-] ZINC000871585593 649109738 /nfs/dbraw/zinc/10/97/38/649109738.db2.gz PYAQCYIBYKVEOY-NSHDSACASA-N -1 3 291.347 2.034 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN[C@H](CCO)c1ccco1 ZINC000883089955 652360756 /nfs/dbraw/zinc/36/07/56/652360756.db2.gz YFGFFOZGGLEEQL-GFCCVEGCSA-N -1 3 283.274 2.477 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@]12CCOC2 ZINC001142527104 806618967 /nfs/dbraw/zinc/61/89/67/806618967.db2.gz KSZWBZPSPQXJAV-CQSZACIVSA-N -1 3 269.291 2.425 20 10 CECDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])CC(F)F ZINC000697691148 806678195 /nfs/dbraw/zinc/67/81/95/806678195.db2.gz MNCCKKBPAHRCNB-ZETCQYMHSA-N -1 3 259.252 2.119 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1C[C@H](CO)C[C@H](F)C1 ZINC001140461569 802935286 /nfs/dbraw/zinc/93/52/86/802935286.db2.gz MEPVQDMQXFRZKM-SKDRFNHKSA-N -1 3 273.735 2.198 20 10 CECDHM C[C@@H]1CCCN(Cc2c([O-])cc(F)cc2F)[C@@H]1CO ZINC001140582630 803177716 /nfs/dbraw/zinc/17/77/16/803177716.db2.gz KYJZTGISGSSQKK-NOZJJQNGSA-N -1 3 271.307 2.263 20 10 CECDHM CC(C)[C@@H]1C[C@@H](CNC(=O)c2cccc(O)c2[O-])CCO1 ZINC001117826059 814957221 /nfs/dbraw/zinc/95/72/21/814957221.db2.gz LNPCZIIXEDFTEO-FZMZJTMJSA-N -1 3 293.363 2.279 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CCCC[C@@](O)(CF)C1 ZINC001139685790 804454326 /nfs/dbraw/zinc/45/43/26/804454326.db2.gz XLZYUMGCLQWKJZ-CQSZACIVSA-N -1 3 289.297 2.357 20 10 CECDHM Cc1nc(CCN(C)Cc2c([O-])ccc(F)c2F)no1 ZINC001233332844 807395912 /nfs/dbraw/zinc/39/59/12/807395912.db2.gz ZLBXGACWBDGJLK-UHFFFAOYSA-N -1 3 283.278 2.036 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NC1CCSCC1 ZINC000915792686 807841395 /nfs/dbraw/zinc/84/13/95/807841395.db2.gz IQFLMIOKMOBKPJ-UHFFFAOYSA-N -1 3 284.356 2.226 20 10 CECDHM Cn1ccc(CNCc2c([O-])cccc2Br)n1 ZINC000706818273 809855675 /nfs/dbraw/zinc/85/56/75/809855675.db2.gz MZUVQOHEDUWCOK-UHFFFAOYSA-N -1 3 296.168 2.178 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](c2nccs2)C1 ZINC000710491841 809989329 /nfs/dbraw/zinc/98/93/29/809989329.db2.gz FBISEYPVKYYFKD-VIFPVBQESA-N -1 3 290.344 2.184 20 10 CECDHM COc1nc(Cl)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001148212013 814536489 /nfs/dbraw/zinc/53/64/89/814536489.db2.gz IAVSTIKYPNVWEL-UHFFFAOYSA-N -1 3 294.694 2.407 20 10 CECDHM O=C(Nc1ccc[nH]c1=S)c1cccc(O)c1[O-] ZINC001148212221 814536905 /nfs/dbraw/zinc/53/69/05/814536905.db2.gz RPQLNISCMWECGU-UHFFFAOYSA-N -1 3 262.290 2.034 20 10 CECDHM O=C(NC[C@H]1CCc2ccccc21)c1cc(O)c([O-])c(O)c1 ZINC001148590128 814591884 /nfs/dbraw/zinc/59/18/84/814591884.db2.gz BYSFJTFKNGTHSR-LLVKDONJSA-N -1 3 299.326 2.263 20 10 CECDHM Cc1c[nH]c(CNCc2cccc(Cl)c2[O-])n1 ZINC000693470273 814621869 /nfs/dbraw/zinc/62/18/69/814621869.db2.gz QIHKQPGBIXZNRO-UHFFFAOYSA-N -1 3 251.717 2.367 20 10 CECDHM CC(C)C(=O)N[C@@H]1CCCN(Cc2c([O-])cccc2F)C1 ZINC001137841467 815694499 /nfs/dbraw/zinc/69/44/99/815694499.db2.gz FXRZSONZEQOOCQ-GFCCVEGCSA-N -1 3 294.370 2.268 20 10 CECDHM Nc1ccc(N(CCO)c2c(F)ccc([O-])c2F)cc1 ZINC001175266022 816165952 /nfs/dbraw/zinc/16/59/52/816165952.db2.gz SPYKTKJFTKFGEM-UHFFFAOYSA-N -1 3 280.274 2.383 20 10 CECDHM Cn1ncc2c1CN(Cc1c([O-])cccc1Cl)CC2 ZINC001140342180 816237446 /nfs/dbraw/zinc/23/74/46/816237446.db2.gz WAVUOYVQWYGSKI-UHFFFAOYSA-N -1 3 277.755 2.337 20 10 CECDHM COC(=O)N1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140338132 816238700 /nfs/dbraw/zinc/23/87/00/816238700.db2.gz WENHMPFJAABLQO-UHFFFAOYSA-N -1 3 298.770 2.320 20 10 CECDHM C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCC1=O ZINC001140461331 816258805 /nfs/dbraw/zinc/25/88/05/816258805.db2.gz IBVZFDXCSHXRTD-SECBINFHSA-N -1 3 253.729 2.457 20 10 CECDHM COC(=O)C[C@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140585448 816294791 /nfs/dbraw/zinc/29/47/91/816294791.db2.gz IZJFREWUKXZGRL-SECBINFHSA-N -1 3 285.290 2.055 20 10 CECDHM COc1cccc2c1CN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001140915843 816409316 /nfs/dbraw/zinc/40/93/16/816409316.db2.gz OVVBDEYJLGIFHT-UHFFFAOYSA-N -1 3 299.326 2.305 20 10 CECDHM CC(C)N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000160200272 344457811 /nfs/dbraw/zinc/45/78/11/344457811.db2.gz WQGKODCBNVBETQ-UHFFFAOYSA-N -1 3 252.333 2.057 20 10 CECDHM CCCCNC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000111235243 364724660 /nfs/dbraw/zinc/72/46/60/364724660.db2.gz KIHOXFZNLSFSFP-LBPRGKRZSA-N -1 3 264.369 2.129 20 10 CECDHM CCCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000171927480 367641470 /nfs/dbraw/zinc/64/14/70/367641470.db2.gz WGVVGFSGNQFNFZ-UHFFFAOYSA-N -1 3 271.744 2.431 20 10 CECDHM Cc1cc(Cl)cc(CN(C)CC(=O)NC(C)C)c1[O-] ZINC000179606524 368344693 /nfs/dbraw/zinc/34/46/93/368344693.db2.gz FJKVJHUPVGGBKS-UHFFFAOYSA-N -1 3 284.787 2.310 20 10 CECDHM CCOC(=O)[C@H]1CCCCN1Cc1cc(F)ccc1[O-] ZINC000179885345 368356965 /nfs/dbraw/zinc/35/69/65/368356965.db2.gz WMKAAZUWIJEKTB-CYBMUJFWSA-N -1 3 281.327 2.449 20 10 CECDHM CCCCCN(CC(N)=O)Cc1cc(F)ccc1[O-] ZINC000180807172 368396847 /nfs/dbraw/zinc/39/68/47/368396847.db2.gz YJDFWXUNEYRLLF-UHFFFAOYSA-N -1 3 268.332 2.009 20 10 CECDHM CO[C@]1(C)C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C1(C)C ZINC000193131129 369897549 /nfs/dbraw/zinc/89/75/49/369897549.db2.gz MNALCRXRBAJENH-MLGOLLRUSA-N -1 3 293.363 2.373 20 10 CECDHM CCCN(Cc1ccccc1[O-])Cc1nccc(N)n1 ZINC000269698166 372538776 /nfs/dbraw/zinc/53/87/76/372538776.db2.gz KWUVVZTWDXBENP-UHFFFAOYSA-N -1 3 272.352 2.177 20 10 CECDHM Cc1ccc(C(=O)N[C@]2(C)CCO[C@@H]2C2CC2)c([O-])c1O ZINC000273446252 373757450 /nfs/dbraw/zinc/75/74/50/373757450.db2.gz GROCJZPAMUGHEW-GDBMZVCRSA-N -1 3 291.347 2.094 20 10 CECDHM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000279833115 375004285 /nfs/dbraw/zinc/00/42/85/375004285.db2.gz NLPJMUYKDWDPCR-MFKMUULPSA-N -1 3 293.363 2.421 20 10 CECDHM C[C@H](C(=O)Nc1nccs1)N(C)Cc1ccccc1[O-] ZINC000109773130 394734994 /nfs/dbraw/zinc/73/49/94/394734994.db2.gz MZMRHMGUGQNXOZ-SNVBAGLBSA-N -1 3 291.376 2.308 20 10 CECDHM NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc(F)c1[O-] ZINC000360675806 394805839 /nfs/dbraw/zinc/80/58/39/394805839.db2.gz XSDGJQLBDWUUJK-GDLCADMTSA-N -1 3 292.354 2.150 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](CO)C2)c1[O-] ZINC000122844765 394818293 /nfs/dbraw/zinc/81/82/93/394818293.db2.gz SIWSHKZVAIZWDO-SNVBAGLBSA-N -1 3 283.755 2.062 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCC[C@@H](OCCO)C1 ZINC000271171231 394749957 /nfs/dbraw/zinc/74/99/57/394749957.db2.gz IXCGPEPTUKRXMK-LLVKDONJSA-N -1 3 285.771 2.019 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCOCC[C@H]2C)c1[O-] ZINC000362235808 394849992 /nfs/dbraw/zinc/84/99/92/394849992.db2.gz LFOHKIRQRVFDEG-SNVBAGLBSA-N -1 3 281.327 2.345 20 10 CECDHM COc1cc(Cl)cc(CN2C[C@H](O)C3(CC3)C2)c1[O-] ZINC000364445105 394904163 /nfs/dbraw/zinc/90/41/63/394904163.db2.gz DFVNGGBDUORXOW-LBPRGKRZSA-N -1 3 283.755 2.011 20 10 CECDHM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(Cl)ccc1[O-] ZINC000373739229 395065438 /nfs/dbraw/zinc/06/54/38/395065438.db2.gz VOHJHMFYEHLAQR-BHYNMZESSA-N -1 3 294.782 2.131 20 10 CECDHM O=C1NCCN(Cc2ccccc2[O-])[C@H]1c1cccs1 ZINC000376166477 395111221 /nfs/dbraw/zinc/11/12/21/395111221.db2.gz LZDRGPYAXGCDIF-AWEZNQCLSA-N -1 3 288.372 2.127 20 10 CECDHM CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])C[C@@H](C)O1 ZINC000182423980 395242762 /nfs/dbraw/zinc/24/27/62/395242762.db2.gz CHMJNRCGAMFDDZ-GHMZBOCLSA-N -1 3 279.336 2.046 20 10 CECDHM CN(Cc1ccccc1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000179560784 395195448 /nfs/dbraw/zinc/19/54/48/395195448.db2.gz RRVNNBMKZFSZFA-ZFWWWQNUSA-N -1 3 297.420 2.180 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)Cc2noc(C)n2)c1[O-] ZINC000181694314 395223096 /nfs/dbraw/zinc/22/30/96/395223096.db2.gz WRLOUXKHTHIPJB-UHFFFAOYSA-N -1 3 293.298 2.057 20 10 CECDHM O=C(C=Cc1c[nH]cn1)N1CCCc2cccc([O-])c21 ZINC000493848926 395676606 /nfs/dbraw/zinc/67/66/06/395676606.db2.gz QYBWXJYFHGUTSR-VOTSOKGWSA-N -1 3 269.304 2.108 20 10 CECDHM CCCCN(Cc1ccccc1[O-])[C@H](C)c1nnnn1C ZINC000282476115 263077038 /nfs/dbraw/zinc/07/70/38/263077038.db2.gz OGEAHLUZHDOAKR-GFCCVEGCSA-N -1 3 289.383 2.279 20 10 CECDHM Cc1cc(Cl)cc(CN2CCNC(=O)C[C@@H]2C)c1[O-] ZINC000367667622 267107762 /nfs/dbraw/zinc/10/77/62/267107762.db2.gz CBWUBRJDJFVOPC-JTQLQIEISA-N -1 3 282.771 2.064 20 10 CECDHM Cc1ccc(C(=O)N2CC[C@@]3(C2)CCCOC3)c([O-])c1O ZINC000368600067 301515347 /nfs/dbraw/zinc/51/53/47/301515347.db2.gz ATYCVVJUYWEJRO-MRXNPFEDSA-N -1 3 291.347 2.049 20 10 CECDHM CC[C@@H](NCc1nnc2n1CCC2)c1ccc(F)cc1[O-] ZINC000285509234 328247924 /nfs/dbraw/zinc/24/79/24/328247924.db2.gz DGRNFUABQMQTJY-GFCCVEGCSA-N -1 3 290.342 2.310 20 10 CECDHM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000369094248 328942873 /nfs/dbraw/zinc/94/28/73/328942873.db2.gz GZZTYOAJOXNKQT-CUOATXAZSA-N -1 3 291.347 2.031 20 10 CECDHM CCN(CCOC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000049013392 521133545 /nfs/dbraw/zinc/13/35/45/521133545.db2.gz IKZAHEFLGDRGRV-UHFFFAOYSA-N -1 3 269.316 2.202 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2CO)c1[O-] ZINC000050152209 518285511 /nfs/dbraw/zinc/28/55/11/518285511.db2.gz JWRQGFYTPPBHKA-CYBMUJFWSA-N -1 3 281.327 2.081 20 10 CECDHM CC(C)(C)OC(=O)C1CN(Cc2ccccc2[O-])C1 ZINC000297351569 518777025 /nfs/dbraw/zinc/77/70/25/518777025.db2.gz FZSDUAYCMCTTSU-UHFFFAOYSA-N -1 3 263.337 2.166 20 10 CECDHM CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000279833101 518948583 /nfs/dbraw/zinc/94/85/83/518948583.db2.gz NLPJMUYKDWDPCR-GWCFXTLKSA-N -1 3 293.363 2.421 20 10 CECDHM CCCN1CCCN(Cc2c([O-])cccc2Cl)CC1=O ZINC000276703112 519851723 /nfs/dbraw/zinc/85/17/23/519851723.db2.gz UPHMSCWBKAXXPP-UHFFFAOYSA-N -1 3 296.798 2.490 20 10 CECDHM CC(C)c1nn(C)cc1NC(=O)c1cccc(O)c1[O-] ZINC000280207921 519883525 /nfs/dbraw/zinc/88/35/25/519883525.db2.gz JSSSNWRXSBQWDR-UHFFFAOYSA-N -1 3 275.308 2.207 20 10 CECDHM Cc1ccc([C@H](C)N[C@@H](C)c2ncnn2C)c([O-])c1 ZINC000276696579 525936686 /nfs/dbraw/zinc/93/66/86/525936686.db2.gz VJSYLONPISXSBX-QWRGUYRKSA-N -1 3 260.341 2.241 20 10 CECDHM Cc1ccc(C(=O)N[C@H](C)C(F)(F)F)c([O-])c1O ZINC000291870521 526208084 /nfs/dbraw/zinc/20/80/84/526208084.db2.gz WPQYBSGXCINGHZ-ZCFIWIBFSA-N -1 3 263.215 2.087 20 10 CECDHM CCOc1ccc(CN[C@@H](C)c2nc(C)no2)c([O-])c1 ZINC000729684415 574490686 /nfs/dbraw/zinc/49/06/86/574490686.db2.gz OYZUELPWPJATPH-VIFPVBQESA-N -1 3 277.324 2.333 20 10 CECDHM Cc1noc(C2CCN(C(=O)c3cc([O-])cs3)CC2)n1 ZINC000731869732 574604361 /nfs/dbraw/zinc/60/43/61/574604361.db2.gz DEPJPLDDFSDJLY-UHFFFAOYSA-N -1 3 293.348 2.165 20 10 CECDHM CC(C)N1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732285253 574618010 /nfs/dbraw/zinc/61/80/10/574618010.db2.gz ZCWYGLKNKLORCF-UHFFFAOYSA-N -1 3 268.382 2.010 20 10 CECDHM Cn1c(=O)oc2ccc(NC(=O)c3cc([O-])cs3)cc21 ZINC000732281821 574618066 /nfs/dbraw/zinc/61/80/66/574618066.db2.gz AJSVPINPQDSPOS-UHFFFAOYSA-N -1 3 290.300 2.151 20 10 CECDHM O=C(NCc1ccc(CO)c(F)c1)c1cc([O-])cs1 ZINC000732275363 574617175 /nfs/dbraw/zinc/61/71/75/574617175.db2.gz ACPMYJGXIRZSPO-UHFFFAOYSA-N -1 3 281.308 2.015 20 10 CECDHM CCCc1noc(COC(=O)c2cc([O-])cs2)n1 ZINC000732355191 574619726 /nfs/dbraw/zinc/61/97/26/574619726.db2.gz GQLJAKGZZXDFNT-UHFFFAOYSA-N -1 3 268.294 2.146 20 10 CECDHM O=C(NCCNCc1c([O-])cccc1Cl)c1ccco1 ZINC000733322557 574663989 /nfs/dbraw/zinc/66/39/89/574663989.db2.gz MGZSNKPQGAUZIH-UHFFFAOYSA-N -1 3 294.738 2.158 20 10 CECDHM C[C@H]1SCCN(C(=O)c2cc([O-])cs2)[C@H]1C ZINC000735703789 574764811 /nfs/dbraw/zinc/76/48/11/574764811.db2.gz LCPMQBCVHTZGOD-JGVFFNPUSA-N -1 3 257.380 2.420 20 10 CECDHM CN(Cc1occc1C(=O)[O-])Cc1ccccc1O ZINC000737494704 574835953 /nfs/dbraw/zinc/83/59/53/574835953.db2.gz YXMHEFPZMKYNNC-UHFFFAOYSA-N -1 3 261.277 2.315 20 10 CECDHM COc1ccc(CN[C@@H](CNC(=O)[O-])C2CC2)cc1C ZINC000739905078 574935916 /nfs/dbraw/zinc/93/59/16/574935916.db2.gz ZVRZIHYQBLSLET-ZDUSSCGKSA-N -1 3 278.352 2.139 20 10 CECDHM Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000740142997 574945360 /nfs/dbraw/zinc/94/53/60/574945360.db2.gz ICTJWBWXLMATHP-GFCCVEGCSA-N -1 3 278.352 2.180 20 10 CECDHM COc1ccc2ccc([O-])c(C[N@H+](C)[C@H](C)C(=O)[O-])c2c1 ZINC000818614323 597480968 /nfs/dbraw/zinc/48/09/68/597480968.db2.gz IXGROGQEEYGNQZ-SNVBAGLBSA-N -1 3 289.331 2.459 20 10 CECDHM COc1ccc2ccc([O-])c(C[N@@H+](C)[C@H](C)C(=O)[O-])c2c1 ZINC000818614323 597480969 /nfs/dbraw/zinc/48/09/69/597480969.db2.gz IXGROGQEEYGNQZ-SNVBAGLBSA-N -1 3 289.331 2.459 20 10 CECDHM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000890761338 622931141 /nfs/dbraw/zinc/93/11/41/622931141.db2.gz OTULQMYMLWIMAE-NXEZZACHSA-N -1 3 291.738 2.189 20 10 CECDHM COC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000119231530 627937423 /nfs/dbraw/zinc/93/74/23/627937423.db2.gz KIFUNQFVZRBXCH-ZDUSSCGKSA-N -1 3 297.326 2.021 20 10 CECDHM O=C(Nc1ccc2n[nH]cc2c1)c1cccc(O)c1[O-] ZINC000186855414 628260680 /nfs/dbraw/zinc/26/06/80/628260680.db2.gz ACLLEARKYOIZAS-UHFFFAOYSA-N -1 3 269.260 2.226 20 10 CECDHM CCOC(=O)CN(CC)Cc1cc(Cl)ccc1[O-] ZINC000092399540 628282138 /nfs/dbraw/zinc/28/21/38/628282138.db2.gz MASFAZHLLQHYFV-UHFFFAOYSA-N -1 3 271.744 2.431 20 10 CECDHM COc1ccccc1CCNC(=O)c1cccc(O)c1[O-] ZINC000186728430 628749346 /nfs/dbraw/zinc/74/93/46/628749346.db2.gz UIGGBRIFELNFKL-UHFFFAOYSA-N -1 3 287.315 2.079 20 10 CECDHM CC[C@H](NCc1ncnn1CC)c1ccc(F)cc1[O-] ZINC000796986635 630094615 /nfs/dbraw/zinc/09/46/15/630094615.db2.gz YSNYDYXLVZYZOI-LBPRGKRZSA-N -1 3 278.331 2.384 20 10 CECDHM CO[C@@](C)([C@H](C)NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000839827730 630335184 /nfs/dbraw/zinc/33/51/84/630335184.db2.gz AZNQBVNPZMVPTL-VFZGTOFNSA-N -1 3 279.336 2.031 20 10 CECDHM CO[C@](C)([C@@H](C)NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000839827728 630335650 /nfs/dbraw/zinc/33/56/50/630335650.db2.gz AZNQBVNPZMVPTL-RFAUZJTJSA-N -1 3 279.336 2.031 20 10 CECDHM Cc1nc([C@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)no1 ZINC000896230215 630504111 /nfs/dbraw/zinc/50/41/11/630504111.db2.gz IVBFBWWBSUJQHC-JTQLQIEISA-N -1 3 295.289 2.351 20 10 CECDHM COCCc1ncc(CNCc2c([O-])cccc2F)s1 ZINC000896640764 630622877 /nfs/dbraw/zinc/62/28/77/630622877.db2.gz JLBIIDMATRLNBE-UHFFFAOYSA-N -1 3 296.367 2.467 20 10 CECDHM CC(C)c1nnc(C(=O)NCc2c([O-])cccc2F)s1 ZINC000902945664 634898677 /nfs/dbraw/zinc/89/86/77/634898677.db2.gz VCDZEBUDSHBTBF-UHFFFAOYSA-N -1 3 295.339 2.436 20 10 CECDHM Cc1cc([O-])c(CN2CCN3C(=O)CC[C@H]3C2)cc1Cl ZINC000824650914 635469576 /nfs/dbraw/zinc/46/95/76/635469576.db2.gz YMVYPLVXDXHRFK-LBPRGKRZSA-N -1 3 294.782 2.161 20 10 CECDHM CC[C@@H]1C(=O)NCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000824708466 635482039 /nfs/dbraw/zinc/48/20/39/635482039.db2.gz FJVINDNOMOEURX-GFCCVEGCSA-N -1 3 282.771 2.064 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@@](F)(CO)C2)cc1Cl ZINC000825803663 635714704 /nfs/dbraw/zinc/71/47/04/635714704.db2.gz DXPSALYEMOVHDW-ZDUSSCGKSA-N -1 3 273.735 2.260 20 10 CECDHM CN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000126212039 650474156 /nfs/dbraw/zinc/47/41/56/650474156.db2.gz OBGSQQOXCKHYOR-UHFFFAOYSA-N -1 3 257.289 2.370 20 10 CECDHM O=C(Nc1ccc2c(c1)OCCO2)c1cccc(O)c1[O-] ZINC000126214888 650474906 /nfs/dbraw/zinc/47/49/06/650474906.db2.gz JPWBVUFHCUKVKJ-UHFFFAOYSA-N -1 3 287.271 2.121 20 10 CECDHM CSCC[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000919492308 641050173 /nfs/dbraw/zinc/05/01/73/641050173.db2.gz DCYAROHRINQBSG-VIFPVBQESA-N -1 3 286.372 2.472 20 10 CECDHM COCc1cc(CNCc2cc(Cl)ccc2[O-])no1 ZINC000846055189 641165503 /nfs/dbraw/zinc/16/55/03/641165503.db2.gz JRVKQOPLVMHBRO-UHFFFAOYSA-N -1 3 282.727 2.470 20 10 CECDHM C[C@@H]1CSCCCN1C(=O)c1cccc(O)c1[O-] ZINC000889922914 641721217 /nfs/dbraw/zinc/72/12/17/641721217.db2.gz FAHUNKLVZHHICP-SECBINFHSA-N -1 3 267.350 2.065 20 10 CECDHM CCOc1ccc(C[N@H+](CC(=O)[O-])C2CCC2)c([O-])c1 ZINC000848640891 642086082 /nfs/dbraw/zinc/08/60/82/642086082.db2.gz VJKNMJMZGLZJRV-UHFFFAOYSA-N -1 3 279.336 2.230 20 10 CECDHM CCOc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)c([O-])c1 ZINC000848640891 642086093 /nfs/dbraw/zinc/08/60/93/642086093.db2.gz VJKNMJMZGLZJRV-UHFFFAOYSA-N -1 3 279.336 2.230 20 10 CECDHM CCCN1CC(=O)N[C@@H]1c1cc(Cl)c(C)cc1[O-] ZINC000849182190 642280624 /nfs/dbraw/zinc/28/06/24/642280624.db2.gz DATWGHNFZYWUQP-ZDUSSCGKSA-N -1 3 268.744 2.194 20 10 CECDHM C[C@H]1CSC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922438035 643071607 /nfs/dbraw/zinc/07/16/07/643071607.db2.gz LEQFJWYJKKDTRZ-KWQFWETISA-N -1 3 284.356 2.082 20 10 CECDHM CC1(NCc2cccc(Br)c2[O-])COC1 ZINC000877690962 650852006 /nfs/dbraw/zinc/85/20/06/650852006.db2.gz HLFQPQSERQTAJK-UHFFFAOYSA-N -1 3 272.142 2.033 20 10 CECDHM C[C@@]1(CNC(=O)NCc2c([O-])cccc2F)CC1(F)F ZINC000923291450 643638764 /nfs/dbraw/zinc/63/87/64/643638764.db2.gz SMSMDLOIRUYVQI-LBPRGKRZSA-N -1 3 288.269 2.376 20 10 CECDHM Cc1ccc(C(=O)Nc2cc(C3CC3)[nH]n2)c([O-])c1O ZINC000854952125 644214033 /nfs/dbraw/zinc/21/40/33/644214033.db2.gz GWDVTONEDSYERM-UHFFFAOYSA-N -1 3 273.292 2.259 20 10 CECDHM C[C@@H](NCc1cnn(C)c1)c1cc(F)cc(F)c1[O-] ZINC000756450910 644651050 /nfs/dbraw/zinc/65/10/50/644651050.db2.gz VTKJQKWKEYAMSK-MRVPVSSYSA-N -1 3 267.279 2.255 20 10 CECDHM O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1cccc(O)c1[O-] ZINC000768821232 646169745 /nfs/dbraw/zinc/16/97/45/646169745.db2.gz ISFZVDKTWWXWQR-GFCCVEGCSA-N -1 3 299.326 2.091 20 10 CECDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)C1(F)F ZINC000862437737 646459290 /nfs/dbraw/zinc/45/92/90/646459290.db2.gz IMLBPMCYALDUIL-IUCAKERBSA-N -1 3 285.290 2.461 20 10 CECDHM CC[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1O ZINC000775744004 646986463 /nfs/dbraw/zinc/98/64/63/646986463.db2.gz IUZGPEAUTYMTSY-PELKAZGASA-N -1 3 273.735 2.387 20 10 CECDHM COc1ccnc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780997241 647489792 /nfs/dbraw/zinc/48/97/92/647489792.db2.gz COJSTPCDDHFMGB-UHFFFAOYSA-N -1 3 274.276 2.062 20 10 CECDHM Cc1cn2cc(NC(=O)c3cccc(O)c3[O-])ccc2n1 ZINC000790627909 648436292 /nfs/dbraw/zinc/43/62/92/648436292.db2.gz TWUHGIHGSBFPCB-UHFFFAOYSA-N -1 3 283.287 2.306 20 10 CECDHM C[S@](=O)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790790559 648448396 /nfs/dbraw/zinc/44/83/96/648448396.db2.gz MSEHROJJRQOATB-FQEVSTJZSA-N -1 3 291.328 2.088 20 10 CECDHM O=C(NCC12CCC(CC1)C2)c1cccc(O)c1[O-] ZINC000790906155 648460047 /nfs/dbraw/zinc/46/00/47/648460047.db2.gz UCPFDZKDEWYCBC-UHFFFAOYSA-N -1 3 261.321 2.408 20 10 CECDHM CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000874050812 649742566 /nfs/dbraw/zinc/74/25/66/649742566.db2.gz FUIIINFQGTVPPX-GFCCVEGCSA-N -1 3 279.336 2.088 20 10 CECDHM CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000874050812 649742568 /nfs/dbraw/zinc/74/25/68/649742568.db2.gz FUIIINFQGTVPPX-GFCCVEGCSA-N -1 3 279.336 2.088 20 10 CECDHM [O-]c1c(Br)cccc1CN1CCC[C@H](O)C1 ZINC000127987928 651347611 /nfs/dbraw/zinc/34/76/11/651347611.db2.gz LRZXUHHRIQUTRA-JTQLQIEISA-N -1 3 286.169 2.111 20 10 CECDHM CCOC(=O)CN(C)Cc1c([O-])cccc1Cl ZINC000128579231 651490907 /nfs/dbraw/zinc/49/09/07/651490907.db2.gz ZITPMDKYTPFLMX-UHFFFAOYSA-N -1 3 257.717 2.041 20 10 CECDHM CC(C)c1nnc(CNCc2cc(F)cc(F)c2[O-])[nH]1 ZINC000883133189 652374343 /nfs/dbraw/zinc/37/43/43/652374343.db2.gz RRCNYCYQNXEDKI-UHFFFAOYSA-N -1 3 282.294 2.202 20 10 CECDHM COCCN(CCF)Cc1c([O-])cccc1Cl ZINC000697048246 806128248 /nfs/dbraw/zinc/12/82/48/806128248.db2.gz SLZHEAKZGJMICD-UHFFFAOYSA-N -1 3 261.724 2.464 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCOC[C@@H]1c1cccnc1 ZINC001140060522 802551533 /nfs/dbraw/zinc/55/15/33/802551533.db2.gz ZVYPJRJTADIPNG-OAHLLOKOSA-N -1 3 288.322 2.500 20 10 CECDHM Cc1ncc2n1CCN(Cc1c([O-])cccc1F)C2 ZINC001137832583 809544912 /nfs/dbraw/zinc/54/49/12/809544912.db2.gz ADSWGNZBICTFEG-UHFFFAOYSA-N -1 3 261.300 2.052 20 10 CECDHM Cc1nc2ccccn2c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582144 814590817 /nfs/dbraw/zinc/59/08/17/814590817.db2.gz YPBBAYLXQWXJSQ-UHFFFAOYSA-N -1 3 299.286 2.012 20 10 CECDHM O=C(N[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1)C1CC1 ZINC001138131381 815735907 /nfs/dbraw/zinc/73/59/07/815735907.db2.gz YLBJMWOMVAVDID-CYBMUJFWSA-N -1 3 292.354 2.022 20 10 CECDHM CCC(=O)N[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC001138130655 815736822 /nfs/dbraw/zinc/73/68/22/815736822.db2.gz FHIMJKCCJYKKOC-GFCCVEGCSA-N -1 3 280.343 2.022 20 10 CECDHM CC(C)CC(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC001140059189 816180718 /nfs/dbraw/zinc/18/07/18/816180718.db2.gz XYJFFKXGKRRMKI-UHFFFAOYSA-N -1 3 294.370 2.222 20 10 CECDHM CN(Cc1ccncn1)Cc1c([O-])cccc1Cl ZINC001140342651 816238481 /nfs/dbraw/zinc/23/84/81/816238481.db2.gz SMMIOPIETAGJIY-UHFFFAOYSA-N -1 3 263.728 2.468 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCCC12COC2 ZINC001140466252 816262359 /nfs/dbraw/zinc/26/23/59/816262359.db2.gz CQDAVZBDBCJVFN-UHFFFAOYSA-N -1 3 253.729 2.410 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@](O)(CF)CC1 ZINC001140582639 816290967 /nfs/dbraw/zinc/29/09/67/816290967.db2.gz LCRXJMIWDHAGSQ-CQSZACIVSA-N -1 3 289.297 2.357 20 10 CECDHM Cc1cncc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001178413367 816743134 /nfs/dbraw/zinc/74/31/34/816743134.db2.gz RIIRKFIRVJDZDT-UHFFFAOYSA-N -1 3 260.268 2.165 20 10 CECDHM Nc1c(F)cc(F)cc1C(=O)NCc1c([O-])cccc1F ZINC001178416619 816743597 /nfs/dbraw/zinc/74/35/97/816743597.db2.gz KKBCITSGRSEMIC-UHFFFAOYSA-N -1 3 296.248 2.322 20 10 CECDHM CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCOC1 ZINC000132069753 366115558 /nfs/dbraw/zinc/11/55/58/366115558.db2.gz CSIRMKFQCFKDDD-JTQLQIEISA-N -1 3 286.715 2.175 20 10 CECDHM CCN(CC)C(=O)CN(C)Cc1c([O-])cccc1Cl ZINC000155108163 366805918 /nfs/dbraw/zinc/80/59/18/366805918.db2.gz AMZKOYRWIYVQNO-UHFFFAOYSA-N -1 3 284.787 2.346 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000091927158 364073322 /nfs/dbraw/zinc/07/33/22/364073322.db2.gz DRFJROCLRRZGKU-GJZGRUSLSA-N -1 3 297.782 2.425 20 10 CECDHM C[C@@H]1C[C@H]1c1cc(NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000192993341 369880334 /nfs/dbraw/zinc/88/03/34/369880334.db2.gz CIUNUGIXUQAUEJ-VXNVDRBHSA-N -1 3 273.292 2.197 20 10 CECDHM Cc1noc(C)c1CNCc1cc(F)ccc1[O-] ZINC000226586403 370347127 /nfs/dbraw/zinc/34/71/27/370347127.db2.gz UDIVMQVNYXLROJ-UHFFFAOYSA-N -1 3 250.273 2.426 20 10 CECDHM [O-]c1cccc(Cl)c1CNC[C@@H](O)C(F)(F)F ZINC000226646649 370349811 /nfs/dbraw/zinc/34/98/11/370349811.db2.gz YJJLDLGQHFUNJQ-SECBINFHSA-N -1 3 269.650 2.058 20 10 CECDHM CC(=O)N1CCN(Cc2cc(Cl)cc(C)c2[O-])[C@H](C)C1 ZINC000271817208 373204992 /nfs/dbraw/zinc/20/49/92/373204992.db2.gz MUHBQHNRDHYCHM-LLVKDONJSA-N -1 3 296.798 2.407 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCO[C@H](C2CC2)C1 ZINC000368414357 373240379 /nfs/dbraw/zinc/24/03/79/373240379.db2.gz UDFDGZVXYYCQMU-AWEZNQCLSA-N -1 3 251.301 2.142 20 10 CECDHM Cc1nn(C)c(NC(=O)c2ccc(C)c(O)c2[O-])c1C ZINC000272814108 373666377 /nfs/dbraw/zinc/66/63/77/373666377.db2.gz NTNFDNQARVMHQY-UHFFFAOYSA-N -1 3 275.308 2.009 20 10 CECDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2cn[nH]c2)c1 ZINC000273345735 373750920 /nfs/dbraw/zinc/75/09/20/373750920.db2.gz APJAPZIGPJPQAQ-NXEZZACHSA-N -1 3 289.335 2.314 20 10 CECDHM CCN(CC(F)F)C(=O)c1ccc(C)c(O)c1[O-] ZINC000273304095 373751811 /nfs/dbraw/zinc/75/18/11/373751811.db2.gz CINQZEOFJFGNNS-UHFFFAOYSA-N -1 3 259.252 2.133 20 10 CECDHM Cc1ccc(C(=O)N2CC3CCC2CC3)c([O-])c1O ZINC000371678151 373946602 /nfs/dbraw/zinc/94/66/02/373946602.db2.gz YIKVUTXCQZDHTA-UHFFFAOYSA-N -1 3 261.321 2.421 20 10 CECDHM O=C(NC[C@H]1CCC(F)(F)C1)c1cccc(O)c1[O-] ZINC000281486204 375383427 /nfs/dbraw/zinc/38/34/27/375383427.db2.gz DNGXWZXDTHYNRF-QMMMGPOBSA-N -1 3 271.263 2.263 20 10 CECDHM COCCn1cc(CNCc2c([O-])cccc2Cl)cn1 ZINC000282187903 375423785 /nfs/dbraw/zinc/42/37/85/375423785.db2.gz ZZYVTMGDTHAZDI-UHFFFAOYSA-N -1 3 295.770 2.178 20 10 CECDHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cc[nH]n2)c([O-])c1O ZINC000286909712 376099145 /nfs/dbraw/zinc/09/91/45/376099145.db2.gz CEDUJLQREFMSQU-GFCCVEGCSA-N -1 3 287.319 2.107 20 10 CECDHM COCC(C)(C)CCCNC(=O)c1cccc(O)c1[O-] ZINC000288248179 376374782 /nfs/dbraw/zinc/37/47/82/376374782.db2.gz QRTAPKIEHVGZTC-UHFFFAOYSA-N -1 3 281.352 2.280 20 10 CECDHM CCOC1(C)CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000293576191 377638520 /nfs/dbraw/zinc/63/85/20/377638520.db2.gz FOZPYUFRXWJORB-UHFFFAOYSA-N -1 3 293.363 2.437 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CNCc1nnc2n1CCC2 ZINC000294208214 377940993 /nfs/dbraw/zinc/94/09/93/377940993.db2.gz LDFGFZHCBVZHAO-UHFFFAOYSA-N -1 3 296.733 2.012 20 10 CECDHM Cn1nccc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000294130986 377914063 /nfs/dbraw/zinc/91/40/63/377914063.db2.gz GXGAKOSEPNHXTC-UHFFFAOYSA-N -1 3 269.707 2.208 20 10 CECDHM CN(C)C(=O)O[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000295122739 378043604 /nfs/dbraw/zinc/04/36/04/378043604.db2.gz NLIPYOLMIJBKPB-LLVKDONJSA-N -1 3 298.770 2.318 20 10 CECDHM CN(CC(=O)c1cccn1C)Cc1ccccc1[O-] ZINC000109773549 394735037 /nfs/dbraw/zinc/73/50/37/394735037.db2.gz BIFACAOODKMXGG-UHFFFAOYSA-N -1 3 258.321 2.045 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1CCn2c(C)nnc2C1 ZINC000372590679 395043820 /nfs/dbraw/zinc/04/38/20/395043820.db2.gz FYXHWXDMNRJYGQ-ZDUSSCGKSA-N -1 3 272.352 2.259 20 10 CECDHM O=C1NC[C@]2(CCCN(Cc3cc(Cl)ccc3[O-])C2)O1 ZINC000372689035 395045072 /nfs/dbraw/zinc/04/50/72/395045072.db2.gz JIGRJSFZWWUZFU-AWEZNQCLSA-N -1 3 296.754 2.120 20 10 CECDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCO2)c([O-])c1O ZINC000375975999 395106022 /nfs/dbraw/zinc/10/60/22/395106022.db2.gz SPTALUMAVYUMSQ-CHWSQXEVSA-N -1 3 291.347 2.190 20 10 CECDHM CO[C@H](C)c1noc(CN(C)Cc2ccccc2[O-])n1 ZINC000177676391 395154355 /nfs/dbraw/zinc/15/43/55/395154355.db2.gz GGOXCDBGQOAJTK-SNVBAGLBSA-N -1 3 277.324 2.115 20 10 CECDHM CCCC[C@@H](COC)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182473972 395241780 /nfs/dbraw/zinc/24/17/80/395241780.db2.gz ZMRWDGKGOYFQFH-NSHDSACASA-N -1 3 281.352 2.341 20 10 CECDHM CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])C[C@H](C)O1 ZINC000182423943 395242316 /nfs/dbraw/zinc/24/23/16/395242316.db2.gz CHMJNRCGAMFDDZ-WDEREUQCSA-N -1 3 279.336 2.046 20 10 CECDHM CC(=O)NC[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000155585757 261103810 /nfs/dbraw/zinc/10/38/10/261103810.db2.gz SIMBVBVFXSYUHD-LBPRGKRZSA-N -1 3 296.798 2.394 20 10 CECDHM CC(=O)NC[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000155585837 261104099 /nfs/dbraw/zinc/10/40/99/261104099.db2.gz SIMBVBVFXSYUHD-GFCCVEGCSA-N -1 3 296.798 2.394 20 10 CECDHM CC(C)(C)c1nnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC000186994316 262120124 /nfs/dbraw/zinc/12/01/24/262120124.db2.gz FOMNJJDFFSFOBY-UHFFFAOYSA-N -1 3 293.348 2.499 20 10 CECDHM CCO[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000187129793 262124821 /nfs/dbraw/zinc/12/48/21/262124821.db2.gz KNTVIICLYNTGCU-QWHCGFSZSA-N -1 3 291.347 2.175 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@@H]1c1ncon1 ZINC000369840669 267270777 /nfs/dbraw/zinc/27/07/77/267270777.db2.gz NPKLTTVPAYHRFQ-LLVKDONJSA-N -1 3 295.726 2.002 20 10 CECDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@@H](O)C2(CC2)C1 ZINC000370687147 267339897 /nfs/dbraw/zinc/33/98/97/267339897.db2.gz BLOYNWHAWDFCPD-LLVKDONJSA-N -1 3 271.719 2.141 20 10 CECDHM O=C(Nc1cc(-c2ccncc2)[nH]n1)c1cccc(O)c1[O-] ZINC000187052119 329351946 /nfs/dbraw/zinc/35/19/46/329351946.db2.gz VHICQGLTPTUTIX-UHFFFAOYSA-N -1 3 296.286 2.135 20 10 CECDHM CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H]1O ZINC000270835116 333155860 /nfs/dbraw/zinc/15/58/60/333155860.db2.gz DDYJJRNICYVRPI-YGRLFVJLSA-N -1 3 297.782 2.451 20 10 CECDHM CCn1cnnc1CN[C@@H](C)c1ccc(C)cc1[O-] ZINC000230658861 333319791 /nfs/dbraw/zinc/31/97/91/333319791.db2.gz AFNPACMXWDRCHT-NSHDSACASA-N -1 3 260.341 2.163 20 10 CECDHM CCOC1CN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000297422646 521660472 /nfs/dbraw/zinc/66/04/72/521660472.db2.gz MLODFNFKWATEEE-UHFFFAOYSA-N -1 3 271.744 2.275 20 10 CECDHM C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(F)cc1[O-] ZINC000181235090 518178369 /nfs/dbraw/zinc/17/83/69/518178369.db2.gz MJBNQZWGYJUUEX-ZJUUUORDSA-N -1 3 282.359 2.485 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](O)C(C)(C)C2)c1[O-] ZINC000279695170 518280222 /nfs/dbraw/zinc/28/02/22/518280222.db2.gz GKXKKKSHSIEXFD-ZDUSSCGKSA-N -1 3 297.782 2.451 20 10 CECDHM CCCOc1ccc(CN2CCO[C@H]3C[C@H]32)c([O-])c1 ZINC000366544601 520350661 /nfs/dbraw/zinc/35/06/61/520350661.db2.gz MUVIMMHUPQZJMO-HIFRSBDPSA-N -1 3 263.337 2.154 20 10 CECDHM CC[C@@H](NCc1nncn1C)c1ccc(C)cc1[O-] ZINC000280276090 522898686 /nfs/dbraw/zinc/89/86/86/522898686.db2.gz YDGMHJMEPVKZCV-GFCCVEGCSA-N -1 3 260.341 2.070 20 10 CECDHM COCCC1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000193133938 523059570 /nfs/dbraw/zinc/05/95/70/523059570.db2.gz VCCIHQRHECHNDD-UHFFFAOYSA-N -1 3 279.336 2.034 20 10 CECDHM CSCCCCCNC(=O)c1cccc(O)c1[O-] ZINC000280492742 525427572 /nfs/dbraw/zinc/42/75/72/525427572.db2.gz OYLOITPFLMPSBZ-UHFFFAOYSA-N -1 3 269.366 2.361 20 10 CECDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)NC1CCCC1 ZINC000731912286 574606044 /nfs/dbraw/zinc/60/60/44/574606044.db2.gz UATRQCWIPCMXEB-QMMMGPOBSA-N -1 3 283.349 2.058 20 10 CECDHM O=C(NCc1cccc2c1OCCO2)c1cc([O-])cs1 ZINC000732283396 574617980 /nfs/dbraw/zinc/61/79/80/574617980.db2.gz YKCLFXQNAQOXFT-UHFFFAOYSA-N -1 3 291.328 2.155 20 10 CECDHM O=C(NCc1ccc(Cl)nc1)c1cc([O-])cs1 ZINC000732273722 574616959 /nfs/dbraw/zinc/61/69/59/574616959.db2.gz ALDBQYCUGYUJNT-UHFFFAOYSA-N -1 3 268.725 2.432 20 10 CECDHM CN(C[C@@H]1CCCCO1)C(=O)c1cc([O-])cs1 ZINC000732276977 574617193 /nfs/dbraw/zinc/61/71/93/574617193.db2.gz YZFTWWNEEFJDLI-JTQLQIEISA-N -1 3 255.339 2.095 20 10 CECDHM O=C(CNCc1c([O-])cccc1Cl)NCc1ccco1 ZINC000733324328 574663943 /nfs/dbraw/zinc/66/39/43/574663943.db2.gz PPGYEOZXAHJZFI-UHFFFAOYSA-N -1 3 294.738 2.045 20 10 CECDHM O=C(NCCc1ccc2c(c1)CCO2)c1cc([O-])cs1 ZINC000734016070 574698652 /nfs/dbraw/zinc/69/86/52/574698652.db2.gz IOEKFIXYXVWKHX-UHFFFAOYSA-N -1 3 289.356 2.361 20 10 CECDHM Cc1cc([O-])c(C[N@H+](C)CC(=O)[O-])cc1C(C)C ZINC000740089835 574941846 /nfs/dbraw/zinc/94/18/46/574941846.db2.gz YOKHUITUFNFDJC-UHFFFAOYSA-N -1 3 251.326 2.340 20 10 CECDHM Cc1cc([O-])c(C[N@@H+](C)CC(=O)[O-])cc1C(C)C ZINC000740089835 574941847 /nfs/dbraw/zinc/94/18/47/574941847.db2.gz YOKHUITUFNFDJC-UHFFFAOYSA-N -1 3 251.326 2.340 20 10 CECDHM CC(C)OCCCN(C)C(=O)c1cc([O-])cs1 ZINC000740929295 574971429 /nfs/dbraw/zinc/97/14/29/574971429.db2.gz ZDIDIVUMZXWUKH-UHFFFAOYSA-N -1 3 257.355 2.341 20 10 CECDHM COC(=O)[C@@H](CNC(=O)c1cc([O-])cs1)CC(C)C ZINC000743630235 575107801 /nfs/dbraw/zinc/10/78/01/575107801.db2.gz QICMELIVTOVUIO-SECBINFHSA-N -1 3 285.365 2.019 20 10 CECDHM O=[N+]([O-])c1ccc([O-])c(CNCc2cccc(F)n2)c1 ZINC000747938892 575176872 /nfs/dbraw/zinc/17/68/72/575176872.db2.gz PSWYAPQOUCPMGP-UHFFFAOYSA-N -1 3 277.255 2.124 20 10 CECDHM C[S@@](=O)c1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000748355507 575184812 /nfs/dbraw/zinc/18/48/12/575184812.db2.gz RDKDLQBABJTLDQ-GOSISDBHSA-N -1 3 281.358 2.443 20 10 CECDHM CC(C)C[C@H](CCO)CNC(=O)c1cc([O-])cs1 ZINC000748398649 575185797 /nfs/dbraw/zinc/18/57/97/575185797.db2.gz PABWVIHARIVCGT-JTQLQIEISA-N -1 3 271.382 2.228 20 10 CECDHM COC(=O)CCC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000753337167 575324021 /nfs/dbraw/zinc/32/40/21/575324021.db2.gz GTIWXJCMYFVZPA-UHFFFAOYSA-N -1 3 297.376 2.259 20 10 CECDHM O=C1NC2(CO1)CCN(Cc1c([O-])cccc1Cl)CC2 ZINC000753588090 575331114 /nfs/dbraw/zinc/33/11/14/575331114.db2.gz ZUYJTKIPQBLQBK-UHFFFAOYSA-N -1 3 296.754 2.120 20 10 CECDHM CC(C)C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC000232615274 598212813 /nfs/dbraw/zinc/21/28/13/598212813.db2.gz AQKMBJJFMMAHAQ-NSHDSACASA-N -1 3 255.289 2.120 20 10 CECDHM CC(C)N(C)S(=O)(=O)Nc1cc(F)c([O-])cc1Cl ZINC000901963900 634383817 /nfs/dbraw/zinc/38/38/17/634383817.db2.gz ZKJTUAQNIGLBKH-UHFFFAOYSA-N -1 3 296.751 2.182 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000894043210 629099981 /nfs/dbraw/zinc/09/99/81/629099981.db2.gz FDODJTHVWKYQRH-LLVKDONJSA-N -1 3 297.223 2.170 20 10 CECDHM Cc1nnc([C@H](C)NCc2c([O-])ccc(Cl)c2F)[nH]1 ZINC000894774452 629628919 /nfs/dbraw/zinc/62/89/19/629628919.db2.gz SMPZZLKXGUZBQV-LURJTMIESA-N -1 3 284.722 2.462 20 10 CECDHM Cc1nc([C@H](C)NCc2c([O-])ccc(Cl)c2F)n[nH]1 ZINC000894774452 629628921 /nfs/dbraw/zinc/62/89/21/629628921.db2.gz SMPZZLKXGUZBQV-LURJTMIESA-N -1 3 284.722 2.462 20 10 CECDHM CO[C@@H]1CN(Cc2c([O-])cc(C)cc2Cl)CCO1 ZINC000895962795 630415048 /nfs/dbraw/zinc/41/50/48/630415048.db2.gz KPOZDNZNLSGVRN-ZDUSSCGKSA-N -1 3 271.744 2.159 20 10 CECDHM CCCn1nccc1CNCc1c([O-])cccc1F ZINC000896636537 630620858 /nfs/dbraw/zinc/62/08/58/630620858.db2.gz CHMYSVLUXLDLIF-UHFFFAOYSA-N -1 3 263.316 2.428 20 10 CECDHM O=C([O-])N[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C12CCC2 ZINC000904211986 635521021 /nfs/dbraw/zinc/52/10/21/635521021.db2.gz ADWOOVSVIUBHSL-QWHCGFSZSA-N -1 3 276.336 2.061 20 10 CECDHM COC(=O)[C@H](C)N(C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825754096 635708269 /nfs/dbraw/zinc/70/82/69/635708269.db2.gz ZUKWEIROZXBPON-VIFPVBQESA-N -1 3 271.744 2.347 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000836884314 638735566 /nfs/dbraw/zinc/73/55/66/638735566.db2.gz FWGULYOLKMTTJQ-GXTWGEPZSA-N -1 3 273.332 2.358 20 10 CECDHM CCCN(CC(=O)NC)Cc1c([O-])cc(C)cc1Cl ZINC000840911445 639582944 /nfs/dbraw/zinc/58/29/44/639582944.db2.gz BCGUXUYNOLGTOO-UHFFFAOYSA-N -1 3 284.787 2.312 20 10 CECDHM Cc1cc([O-])c(CN2CCN(C(C)C)C(=O)C2)c(Cl)c1 ZINC000840937678 639592831 /nfs/dbraw/zinc/59/28/31/639592831.db2.gz UTPFXVHETFESNW-UHFFFAOYSA-N -1 3 296.798 2.407 20 10 CECDHM Cc1cc([O-])c(CN2CCO[C@]3(CCOC3)C2)c(Cl)c1 ZINC000840937554 639592929 /nfs/dbraw/zinc/59/29/29/639592929.db2.gz JPXVWWIIGSDIRW-OAHLLOKOSA-N -1 3 297.782 2.345 20 10 CECDHM C[C@H](NCc1cn(C)nn1)c1ccc(Cl)cc1[O-] ZINC000841754410 639859019 /nfs/dbraw/zinc/85/90/19/639859019.db2.gz QXVZHGNXTWNLAZ-QMMMGPOBSA-N -1 3 266.732 2.025 20 10 CECDHM CSCCCCNC(=O)NCc1c([O-])cccc1F ZINC000919419791 641041918 /nfs/dbraw/zinc/04/19/18/641041918.db2.gz LWSXXPVLOJQOPO-UHFFFAOYSA-N -1 3 286.372 2.474 20 10 CECDHM O=C(NCc1cc(F)ccc1F)c1cccc(O)c1[O-] ZINC000126420238 650636229 /nfs/dbraw/zinc/63/62/29/650636229.db2.gz GDDDAZTWXCCKOZ-UHFFFAOYSA-N -1 3 279.242 2.306 20 10 CECDHM Cc1noc(C)c1[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126472963 650674302 /nfs/dbraw/zinc/67/43/02/650674302.db2.gz YAPAMMGCWQHIET-ZETCQYMHSA-N -1 3 276.292 2.194 20 10 CECDHM C[C@@H]1C[C@H](CNC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000921760346 642586170 /nfs/dbraw/zinc/58/61/70/642586170.db2.gz QEHBIYIYEQVNBK-GHMZBOCLSA-N -1 3 296.342 2.146 20 10 CECDHM COCC[C@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC000922868407 643304810 /nfs/dbraw/zinc/30/48/10/643304810.db2.gz QBYFMCHGPJRZIW-JTQLQIEISA-N -1 3 284.331 2.003 20 10 CECDHM C[C@@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)CS1 ZINC000922881992 643308418 /nfs/dbraw/zinc/30/84/18/643308418.db2.gz LBMWOOMXBXVZQP-BDAKNGLRSA-N -1 3 284.356 2.225 20 10 CECDHM O=C(NCC[C@@H]1CCCOC1)NCc1c([O-])cccc1F ZINC000923388647 643694055 /nfs/dbraw/zinc/69/40/55/643694055.db2.gz CBXQFEFEMXRQRS-NSHDSACASA-N -1 3 296.342 2.147 20 10 CECDHM CC(C)NC(=O)OC1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000839143964 644173990 /nfs/dbraw/zinc/17/39/90/644173990.db2.gz UOTJTSXNLFAKTJ-UHFFFAOYSA-N -1 3 298.770 2.364 20 10 CECDHM C[C@H](NCc1nnc2n1CCC2)c1cc(F)cc(F)c1[O-] ZINC000756395851 644643584 /nfs/dbraw/zinc/64/35/84/644643584.db2.gz ZRQMKRNZELWUTK-QMMMGPOBSA-N -1 3 294.305 2.059 20 10 CECDHM C[C@H](NCc1ccnc(N(C)C)n1)c1ccc(F)cc1[O-] ZINC000756788266 644692607 /nfs/dbraw/zinc/69/26/07/644692607.db2.gz CELDURWKRWSRBJ-JTQLQIEISA-N -1 3 290.342 2.238 20 10 CECDHM C[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])CC[S@]1=O ZINC000763488831 645550840 /nfs/dbraw/zinc/55/08/40/645550840.db2.gz FHIHVIYVTUNPMY-MLCYQJTMSA-N -1 3 287.812 2.389 20 10 CECDHM C[C@@]1(O)CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775734149 646985884 /nfs/dbraw/zinc/98/58/84/646985884.db2.gz LUHDCBKXQDPUJB-GFCCVEGCSA-N -1 3 259.708 2.141 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](c2ccccc2)C1 ZINC000776355598 647051090 /nfs/dbraw/zinc/05/10/90/647051090.db2.gz OWYBRCBNBRRYGL-OAHLLOKOSA-N -1 3 299.326 2.312 20 10 CECDHM Cc1cc(C)c(NC(=O)c2cccc(O)c2[O-])cc1CO ZINC000787567787 648118503 /nfs/dbraw/zinc/11/85/03/648118503.db2.gz MZBSJUVAAZYOFA-UHFFFAOYSA-N -1 3 287.315 2.459 20 10 CECDHM CCOC(=O)[C@H](C)NCc1c([O-])cccc1Cl ZINC000127313683 651176320 /nfs/dbraw/zinc/17/63/20/651176320.db2.gz IBPSEXFIYWYEAJ-QMMMGPOBSA-N -1 3 257.717 2.087 20 10 CECDHM CC(C)OC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000695078008 803607850 /nfs/dbraw/zinc/60/78/50/803607850.db2.gz RQBLLIIFVUGNIK-UHFFFAOYSA-N -1 3 279.336 2.127 20 10 CECDHM CCN(Cc1cc(Cl)c([O-])cc1O)[C@@H](C)C(=O)OC ZINC001232265053 807240030 /nfs/dbraw/zinc/24/00/30/807240030.db2.gz OACRVTFRVWKOBN-QMMMGPOBSA-N -1 3 287.743 2.135 20 10 CECDHM CC(=O)[C@@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335255 807396806 /nfs/dbraw/zinc/39/68/06/807396806.db2.gz NRIWLHJAYPLJDU-SNVBAGLBSA-N -1 3 269.291 2.471 20 10 CECDHM O=C(NCc1c([O-])cccc1F)c1cnc(C2CC2)[nH]1 ZINC001119993547 815184758 /nfs/dbraw/zinc/18/47/58/815184758.db2.gz NWWSIQIVYQJAFG-UHFFFAOYSA-N -1 3 275.283 2.062 20 10 CECDHM C[C@@H]1COCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000703558473 809663086 /nfs/dbraw/zinc/66/30/86/809663086.db2.gz YKBUIRYCSDTGDV-VIFPVBQESA-N -1 3 257.280 2.139 20 10 CECDHM CC(C)[C@H]1COCCN1Cc1c([O-])cccc1F ZINC001137838809 809812369 /nfs/dbraw/zinc/81/23/69/809812369.db2.gz KUGHZYRUFILNIO-CYBMUJFWSA-N -1 3 253.317 2.388 20 10 CECDHM COc1cc(NC(=O)c2cccc(O)c2[O-])c(C)cn1 ZINC001148212099 814536952 /nfs/dbraw/zinc/53/69/52/814536952.db2.gz MBZWWOUFHRJMKK-UHFFFAOYSA-N -1 3 274.276 2.062 20 10 CECDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC001148224801 814537997 /nfs/dbraw/zinc/53/79/97/814537997.db2.gz VRUUZKRFFJRFJC-MRVPVSSYSA-N -1 3 263.215 2.169 20 10 CECDHM Cc1cc2c(cn1)[C@H](NC(=O)c1cccc(O)c1[O-])CC2 ZINC001148224874 814538355 /nfs/dbraw/zinc/53/83/55/814538355.db2.gz YJQLEWSDSOWYHH-CYBMUJFWSA-N -1 3 284.315 2.219 20 10 CECDHM COC(C)(C)[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC001148214770 814538709 /nfs/dbraw/zinc/53/87/09/814538709.db2.gz WUALOQLDJACEIK-LBPRGKRZSA-N -1 3 279.336 2.127 20 10 CECDHM O=C(Nc1cccc2nccnc21)c1cccc(O)c1[O-] ZINC001148218735 814538810 /nfs/dbraw/zinc/53/88/10/814538810.db2.gz JFSMNYXEMXKSTG-UHFFFAOYSA-N -1 3 281.271 2.293 20 10 CECDHM C[C@]1(F)CCCCN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148582261 814591524 /nfs/dbraw/zinc/59/15/24/814591524.db2.gz HQUHHLUUBLUBTL-AWEZNQCLSA-N -1 3 283.299 2.158 20 10 CECDHM Cc1cc2nccc(NC(=O)c3ccc(C)c(O)c3[O-])n2n1 ZINC001148956457 814625549 /nfs/dbraw/zinc/62/55/49/814625549.db2.gz KXCNIDLQPFOLRL-UHFFFAOYSA-N -1 3 298.302 2.010 20 10 CECDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])CCCC1=O ZINC001138122530 815732130 /nfs/dbraw/zinc/73/21/30/815732130.db2.gz LEQPUTUJTLHVMF-SNVBAGLBSA-N -1 3 251.301 2.332 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCOCC12CC2 ZINC001140342061 816237948 /nfs/dbraw/zinc/23/79/48/816237948.db2.gz RLKMAEZGKDMYGQ-UHFFFAOYSA-N -1 3 253.729 2.410 20 10 CECDHM O=C(NCc1c([O-])cccc1F)c1cccc(O)c1 ZINC001178410103 816742208 /nfs/dbraw/zinc/74/22/08/816742208.db2.gz MMNFGKHUOPUFFY-UHFFFAOYSA-N -1 3 261.252 2.167 20 10 CECDHM CC(C)NC(=O)CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000036781609 361858326 /nfs/dbraw/zinc/85/83/26/361858326.db2.gz LXMVLNNDUBYBNU-UHFFFAOYSA-N -1 3 291.178 2.313 20 10 CECDHM CCC[N@H+](Cc1ccccc1[O-])[C@H](CC)C(=O)[O-] ZINC000191414327 283297067 /nfs/dbraw/zinc/29/70/67/283297067.db2.gz NYDNPOMZOHZKCO-GFCCVEGCSA-N -1 3 251.326 2.467 20 10 CECDHM CCC[N@@H+](Cc1ccccc1[O-])[C@H](CC)C(=O)[O-] ZINC000191414327 283297071 /nfs/dbraw/zinc/29/70/71/283297071.db2.gz NYDNPOMZOHZKCO-GFCCVEGCSA-N -1 3 251.326 2.467 20 10 CECDHM CN(C)C(=O)[C@@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC000179637618 368345889 /nfs/dbraw/zinc/34/58/89/368345889.db2.gz BPBOKTMEHGSCOV-LBPRGKRZSA-N -1 3 282.771 2.098 20 10 CECDHM COC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000179643820 368346055 /nfs/dbraw/zinc/34/60/55/368346055.db2.gz LWLDCHSRYOGSDJ-NSHDSACASA-N -1 3 283.755 2.431 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CCC2(CC1)OCCO2 ZINC000179665738 368346087 /nfs/dbraw/zinc/34/60/87/368346087.db2.gz RGBIHIPQGKLRJX-UHFFFAOYSA-N -1 3 283.755 2.385 20 10 CECDHM C[C@H](NCc1nnc2n1CCCC2)c1ccccc1[O-] ZINC000179897699 368357216 /nfs/dbraw/zinc/35/72/16/368357216.db2.gz MDIOSSXPSZRYDN-NSHDSACASA-N -1 3 272.352 2.171 20 10 CECDHM CCOC(=O)N[C@@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000179933110 368358444 /nfs/dbraw/zinc/35/84/44/368358444.db2.gz IQJHFZRCZAXGEH-CYBMUJFWSA-N -1 3 296.342 2.242 20 10 CECDHM CC[C@@]1(CO)CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000189611539 369546199 /nfs/dbraw/zinc/54/61/99/369546199.db2.gz UJFDTUZSEWXJQI-INIZCTEOSA-N -1 3 295.354 2.471 20 10 CECDHM C[C@](O)(CNC(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC000190469144 369626406 /nfs/dbraw/zinc/62/64/06/369626406.db2.gz LEPVKDJBILRYPW-INIZCTEOSA-N -1 3 293.363 2.159 20 10 CECDHM Cc1nc(C)c(CNC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000271265961 373186935 /nfs/dbraw/zinc/18/69/35/373186935.db2.gz KSLKQGKTSUKBPT-UHFFFAOYSA-N -1 3 292.360 2.410 20 10 CECDHM Cc1ccc(C(=O)NCC2(CCO)CCCC2)c([O-])c1O ZINC000272713980 373627775 /nfs/dbraw/zinc/62/77/75/373627775.db2.gz FPXLZMKBCFJGMD-UHFFFAOYSA-N -1 3 293.363 2.079 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CC[C@H](O)C(C)(C)C2)c1[O-] ZINC000275450833 374215992 /nfs/dbraw/zinc/21/59/92/374215992.db2.gz LUSPCBUZRUVSFJ-AWEZNQCLSA-N -1 3 295.354 2.327 20 10 CECDHM C[C@H]1CCSCCN1C(=O)c1cccc(O)c1[O-] ZINC000276899832 374340124 /nfs/dbraw/zinc/34/01/24/374340124.db2.gz RYWRZPGINBLXGJ-VIFPVBQESA-N -1 3 267.350 2.065 20 10 CECDHM COCC1(CCNC(=O)c2ccc(C)c(O)c2[O-])CCC1 ZINC000293881752 377803920 /nfs/dbraw/zinc/80/39/20/377803920.db2.gz LBVDFGKUDAUDRP-UHFFFAOYSA-N -1 3 293.363 2.343 20 10 CECDHM Cc1ccc(C(=O)N2CCC(CF)CC2)c([O-])c1O ZINC000297011123 378661562 /nfs/dbraw/zinc/66/15/62/378661562.db2.gz SIAALVYWWLGWDG-UHFFFAOYSA-N -1 3 267.300 2.228 20 10 CECDHM C[C@@H](NCc1cccc(Cl)c1[O-])C(=O)NC(C)(C)C ZINC000135761309 394967966 /nfs/dbraw/zinc/96/79/66/394967966.db2.gz IMGHVVWGPISACA-SECBINFHSA-N -1 3 284.787 2.438 20 10 CECDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000373498533 395061974 /nfs/dbraw/zinc/06/19/74/395061974.db2.gz ZLLCVKPGRLYJJS-ABAIWWIYSA-N -1 3 297.782 2.425 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC(F)(c2ccccc2)C1 ZINC000376294955 395115362 /nfs/dbraw/zinc/11/53/62/395115362.db2.gz VYMYQOLONZWSDT-UHFFFAOYSA-N -1 3 287.290 2.419 20 10 CECDHM O=C1NCCN(Cc2ccccc2[O-])[C@@H]1c1cccs1 ZINC000376166478 395110929 /nfs/dbraw/zinc/11/09/29/395110929.db2.gz LZDRGPYAXGCDIF-CQSZACIVSA-N -1 3 288.372 2.127 20 10 CECDHM COc1c([O-])c(CN2CCC[C@@H]2CF)ccc1[N+](=O)[O-] ZINC000293864901 395254879 /nfs/dbraw/zinc/25/48/79/395254879.db2.gz CGEXWZOZBSVZQV-SNVBAGLBSA-N -1 3 284.287 2.243 20 10 CECDHM O=C1CCCN1[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000276815690 263038038 /nfs/dbraw/zinc/03/80/38/263038038.db2.gz OQOPVEWTJGIVIX-NSHDSACASA-N -1 3 294.782 2.242 20 10 CECDHM Cc1cc(Cl)cc(CN2CCNC(=O)C[C@H]2C)c1[O-] ZINC000367667623 267107303 /nfs/dbraw/zinc/10/73/03/267107303.db2.gz CBWUBRJDJFVOPC-SNVBAGLBSA-N -1 3 282.771 2.064 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000367681116 267108602 /nfs/dbraw/zinc/10/86/02/267108602.db2.gz CNRQHKBJZHCBQU-OSAQELSMSA-N -1 3 293.363 2.106 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCO[C@]2(CCCOC2)C1 ZINC000368037034 267139163 /nfs/dbraw/zinc/13/91/63/267139163.db2.gz LEJGLJRABRSIFG-OAHLLOKOSA-N -1 3 297.782 2.427 20 10 CECDHM C[C@H]1OCC[C@]12CN(Cc1cc(Cl)ccc1[O-])CCO2 ZINC000377274180 268063073 /nfs/dbraw/zinc/06/30/73/268063073.db2.gz WNSLEDALAUGYPI-ABAIWWIYSA-N -1 3 297.782 2.425 20 10 CECDHM COc1c([O-])c(CN2CCCSCC2)ccc1[N+](=O)[O-] ZINC000278528228 328226251 /nfs/dbraw/zinc/22/62/51/328226251.db2.gz UKXHECRSLFSAAY-UHFFFAOYSA-N -1 3 298.364 2.248 20 10 CECDHM CCCCN(Cc1ccccc1[O-])[C@@H]1CCOC1=O ZINC000282492349 328242361 /nfs/dbraw/zinc/24/23/61/328242361.db2.gz PXJKIWRYBLMCID-CYBMUJFWSA-N -1 3 263.337 2.310 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCOC[C@@H]1CC(=O)OC ZINC000377870263 329032409 /nfs/dbraw/zinc/03/24/09/329032409.db2.gz TYZUZSNTAKEOMM-GXTWGEPZSA-N -1 3 293.363 2.107 20 10 CECDHM CCn1nncc1CNCc1c([O-])ccc(Cl)c1F ZINC000527727657 330277786 /nfs/dbraw/zinc/27/77/86/330277786.db2.gz IXHOIRDBLQMABT-UHFFFAOYSA-N -1 3 284.722 2.086 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](C)[C@@H]2C)c1[O-] ZINC000156367534 518287876 /nfs/dbraw/zinc/28/78/76/518287876.db2.gz RFURAEGLFNIJKG-ONGXEEELSA-N -1 3 281.327 2.343 20 10 CECDHM CCCOc1ccc(CN2C[C@@H](F)C[C@@H]2CO)c([O-])c1 ZINC000364846788 520352105 /nfs/dbraw/zinc/35/21/05/520352105.db2.gz VINMQWFNWNCMAE-QWHCGFSZSA-N -1 3 283.343 2.086 20 10 CECDHM Cc1ccc([C@H](C)N[C@H](C)c2ncnn2C)c([O-])c1 ZINC000276696582 525944434 /nfs/dbraw/zinc/94/44/34/525944434.db2.gz VJSYLONPISXSBX-WDEREUQCSA-N -1 3 260.341 2.241 20 10 CECDHM O=C1CCCN1[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000276856050 526978404 /nfs/dbraw/zinc/97/84/04/526978404.db2.gz VYZYEHOQUHTYGC-LBPRGKRZSA-N -1 3 294.782 2.242 20 10 CECDHM O=C(NCCOc1ccccc1)c1cc([O-])cs1 ZINC000731861818 574604135 /nfs/dbraw/zinc/60/41/35/574604135.db2.gz PFIMIQPXGAFOHX-UHFFFAOYSA-N -1 3 263.318 2.263 20 10 CECDHM COc1ccccc1CCNC(=O)c1cc([O-])cs1 ZINC000731862059 574604163 /nfs/dbraw/zinc/60/41/63/574604163.db2.gz YOEHKWIAKYOKFP-UHFFFAOYSA-N -1 3 277.345 2.435 20 10 CECDHM CN(Cc1ccccc1O)C(=O)c1cc([O-])cs1 ZINC000731872013 574604317 /nfs/dbraw/zinc/60/43/17/574604317.db2.gz UHSKVATZISEJSB-UHFFFAOYSA-N -1 3 263.318 2.432 20 10 CECDHM CN(C)c1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000732258302 574616033 /nfs/dbraw/zinc/61/60/33/574616033.db2.gz RHOCAXUUVVXVOX-UHFFFAOYSA-N -1 3 276.361 2.450 20 10 CECDHM Cc1ccc(CCNC(=O)c2cc([O-])cs2)cn1 ZINC000732301670 574617660 /nfs/dbraw/zinc/61/76/60/574617660.db2.gz FZQGTNDRZUQCMC-UHFFFAOYSA-N -1 3 262.334 2.130 20 10 CECDHM O=C(OCc1nc(-c2ccoc2)no1)c1cc([O-])cs1 ZINC000732352774 574619594 /nfs/dbraw/zinc/61/95/94/574619594.db2.gz GNUJZCYBWAVLFW-UHFFFAOYSA-N -1 3 292.272 2.454 20 10 CECDHM O=C(CNCc1c([O-])cccc1Cl)NC1CCCC1 ZINC000733327730 574664365 /nfs/dbraw/zinc/66/43/65/574664365.db2.gz FPWBRKPHCIYFDI-UHFFFAOYSA-N -1 3 282.771 2.194 20 10 CECDHM Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)cc1C ZINC000738464034 574864726 /nfs/dbraw/zinc/86/47/26/574864726.db2.gz XRBAXAITTVTPRO-GFCCVEGCSA-N -1 3 263.337 2.306 20 10 CECDHM Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1C ZINC000738464034 574864727 /nfs/dbraw/zinc/86/47/27/574864727.db2.gz XRBAXAITTVTPRO-GFCCVEGCSA-N -1 3 263.337 2.306 20 10 CECDHM COc1ccc(CNC(C)(C)CNC(=O)[O-])cc1C ZINC000739901419 574935972 /nfs/dbraw/zinc/93/59/72/574935972.db2.gz CCCAJAWHUQDOMB-UHFFFAOYSA-N -1 3 266.341 2.139 20 10 CECDHM O=C([O-])N1CCC(CC[NH2+]Cc2ccccc2[O-])CC1 ZINC000740496091 574956290 /nfs/dbraw/zinc/95/62/90/574956290.db2.gz BNNLPDHKCAEFDU-UHFFFAOYSA-N -1 3 278.352 2.262 20 10 CECDHM O=C(NCCc1ccccc1[N+](=O)[O-])c1cc([O-])cs1 ZINC000743718305 575109214 /nfs/dbraw/zinc/10/92/14/575109214.db2.gz OIEQFEHRZVGEGF-UHFFFAOYSA-N -1 3 292.316 2.334 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]1c1ncc[nH]1 ZINC000753436313 575326403 /nfs/dbraw/zinc/32/64/03/575326403.db2.gz ZQSZOHIEPWQXKI-SECBINFHSA-N -1 3 263.322 2.154 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC=C(c2ccncc2)C1 ZINC000804747235 622949183 /nfs/dbraw/zinc/94/91/83/622949183.db2.gz KETGRIKOQDOZIW-UHFFFAOYSA-N -1 3 296.326 2.422 20 10 CECDHM Cc1cnc(NC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000177665414 623195121 /nfs/dbraw/zinc/19/51/21/623195121.db2.gz MWAUGYWJQRLMHD-UHFFFAOYSA-N -1 3 264.306 2.423 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC(C(F)F)CC1 ZINC000307880856 623501098 /nfs/dbraw/zinc/50/10/98/623501098.db2.gz PPUJXXQLSLDLEF-UHFFFAOYSA-N -1 3 271.263 2.215 20 10 CECDHM CCOc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000186950682 628262704 /nfs/dbraw/zinc/26/27/04/628262704.db2.gz HBUHMDMEEUSCHS-UHFFFAOYSA-N -1 3 287.315 2.427 20 10 CECDHM COC[C@@H]1CN(Cc2c([O-])cc(C)cc2Cl)CCO1 ZINC000840917421 628492184 /nfs/dbraw/zinc/49/21/84/628492184.db2.gz KBJUHCWAFMRMBX-NSHDSACASA-N -1 3 285.771 2.201 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CCCC[C@@H]1C1OCCO1 ZINC000893994717 629074816 /nfs/dbraw/zinc/07/48/16/629074816.db2.gz NMYACRZKYDQHMH-CYBMUJFWSA-N -1 3 299.317 2.398 20 10 CECDHM Cc1cc(Br)c([O-])c(CN2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895654509 630290230 /nfs/dbraw/zinc/29/02/30/630290230.db2.gz SCVFTVCRCHUXOR-ZWNOBZJWSA-N -1 3 298.180 2.030 20 10 CECDHM Cc1cc([O-])c(CNCc2cn(C)cn2)c(Cl)c1 ZINC000898043579 632035094 /nfs/dbraw/zinc/03/50/94/632035094.db2.gz UOGMIUFOVORYIV-UHFFFAOYSA-N -1 3 265.744 2.377 20 10 CECDHM COC[C@H]1CCN1Cc1cccc(Br)c1[O-] ZINC000816637057 633453788 /nfs/dbraw/zinc/45/37/88/633453788.db2.gz PTRVPCFBESWIKQ-SNVBAGLBSA-N -1 3 286.169 2.375 20 10 CECDHM C[C@H]1C[C@@H](O)CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000825316908 635613916 /nfs/dbraw/zinc/61/39/16/635613916.db2.gz YAJUIJIMOCYMFL-DTWKUNHWSA-N -1 3 273.735 2.387 20 10 CECDHM Cc1cc([O-])c(CN2CCO[C@H]3C[C@H]32)cc1Cl ZINC000825964855 635739236 /nfs/dbraw/zinc/73/92/36/635739236.db2.gz UAHAZDQTKPZQDO-YPMHNXCESA-N -1 3 253.729 2.327 20 10 CECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC3(COC3)C2)c1[O-] ZINC000827643084 636373079 /nfs/dbraw/zinc/37/30/79/636373079.db2.gz FRKOXTGXNOBGMV-UHFFFAOYSA-N -1 3 298.726 2.176 20 10 CECDHM COC(=O)c1cnc(SCc2nc(C)cc(=O)[n-]2)s1 ZINC000829680721 636908474 /nfs/dbraw/zinc/90/84/74/636908474.db2.gz DHURDIAPZSTTKN-UHFFFAOYSA-N -1 3 297.361 2.026 20 10 CECDHM O=C(NC[C@@H]1C[C@H]1C(F)(F)F)c1cccc(O)c1[O-] ZINC000831366367 637302645 /nfs/dbraw/zinc/30/26/45/637302645.db2.gz XEOLMQZSZYHSCA-POYBYMJQSA-N -1 3 275.226 2.026 20 10 CECDHM CCOC(=O)CN(C)Cc1c([O-])cc(C)cc1Cl ZINC000840909527 639582777 /nfs/dbraw/zinc/58/27/77/639582777.db2.gz FCBMVGCSUGNEFF-UHFFFAOYSA-N -1 3 271.744 2.349 20 10 CECDHM CCOc1ccc(C[N@H+](C)[C@H](CC)C(=O)[O-])c([O-])c1 ZINC000844937995 640871788 /nfs/dbraw/zinc/87/17/88/640871788.db2.gz SEQKCVZGITWZBY-GFCCVEGCSA-N -1 3 267.325 2.086 20 10 CECDHM CCOc1ccc(C[N@@H+](C)[C@H](CC)C(=O)[O-])c([O-])c1 ZINC000844937995 640871795 /nfs/dbraw/zinc/87/17/95/640871795.db2.gz SEQKCVZGITWZBY-GFCCVEGCSA-N -1 3 267.325 2.086 20 10 CECDHM O=S(=O)(CCC1CCC1)NCc1c([O-])cccc1F ZINC000921452461 641285044 /nfs/dbraw/zinc/28/50/44/641285044.db2.gz PZEQWSVLLHSZRL-UHFFFAOYSA-N -1 3 287.356 2.141 20 10 CECDHM Cc1cccc(CN(C)C(=O)c2cccc(O)c2[O-])n1 ZINC000126485803 650694762 /nfs/dbraw/zinc/69/47/62/650694762.db2.gz HIGGPLVKJGZYDO-UHFFFAOYSA-N -1 3 272.304 2.073 20 10 CECDHM CN(C)c1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000849231112 642290767 /nfs/dbraw/zinc/29/07/67/642290767.db2.gz URPDMDHYMWSHII-MRXNPFEDSA-N -1 3 299.374 2.453 20 10 CECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1C[C@H]1C1CC1 ZINC000922307708 643016718 /nfs/dbraw/zinc/01/67/18/643016718.db2.gz JCEDWCSIWSTVSC-JOYOIKCWSA-N -1 3 264.300 2.129 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)C(=O)[C@H](C)C2)c1[O-] ZINC000852474853 643437497 /nfs/dbraw/zinc/43/74/97/643437497.db2.gz VEBCOGMSSFAYOK-NXEZZACHSA-N -1 3 293.338 2.391 20 10 CECDHM CC(C)c1cc(NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000126648623 650851314 /nfs/dbraw/zinc/85/13/14/650851314.db2.gz GJKLBNGMUWVZBU-UHFFFAOYSA-N -1 3 261.281 2.197 20 10 CECDHM CCn1cnnc1CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756420354 644647852 /nfs/dbraw/zinc/64/78/52/644647852.db2.gz JIQPVSGRXIOTMY-MRVPVSSYSA-N -1 3 282.294 2.133 20 10 CECDHM CN(Cc1cn[nH]c1)Cc1c([O-])cccc1Cl ZINC000769426131 646264872 /nfs/dbraw/zinc/26/48/72/646264872.db2.gz SRIAIMZVTCIAHC-UHFFFAOYSA-N -1 3 251.717 2.401 20 10 CECDHM COc1c([O-])c(CN(C)Cc2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000774908413 646908163 /nfs/dbraw/zinc/90/81/63/646908163.db2.gz HGHBKTCGUMOXJB-UHFFFAOYSA-N -1 3 291.307 2.269 20 10 CECDHM COCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000776745991 647086882 /nfs/dbraw/zinc/08/68/82/647086882.db2.gz SEYCDXMVANGQRI-UHFFFAOYSA-N -1 3 293.344 2.339 20 10 CECDHM N=C1Nc2nc3ccccc3n2[C@@H](c2cccc(F)c2[O-])N1 ZINC000778519900 647238334 /nfs/dbraw/zinc/23/83/34/647238334.db2.gz LWMJEAKKOOTDRB-ZDUSSCGKSA-N -1 3 297.293 2.378 20 10 CECDHM C[C@@H]1C[C@H](O)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000788270794 648167841 /nfs/dbraw/zinc/16/78/41/648167841.db2.gz RURAHZQUSDUWCY-XCBNKYQSSA-N -1 3 259.708 2.140 20 10 CECDHM O=C(NCCc1ccc(F)cc1F)c1cccc(O)c1[O-] ZINC000790708405 648441721 /nfs/dbraw/zinc/44/17/21/648441721.db2.gz VXRFMIRGGSNIAX-UHFFFAOYSA-N -1 3 293.269 2.349 20 10 CECDHM CCOc1cccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000790838029 648455196 /nfs/dbraw/zinc/45/51/96/648455196.db2.gz BXKCVJAKAHIQQD-UHFFFAOYSA-N -1 3 274.276 2.144 20 10 CECDHM O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1cccc(O)c1[O-] ZINC000871120454 649009012 /nfs/dbraw/zinc/00/90/12/649009012.db2.gz PQBPEXYTBBTYKB-KBPBESRZSA-N -1 3 291.347 2.175 20 10 CECDHM [O-]c1cccc(Br)c1CN1CCC12COC2 ZINC001140101565 802599513 /nfs/dbraw/zinc/59/95/13/802599513.db2.gz YCEPHKMTHKXWDT-UHFFFAOYSA-N -1 3 284.153 2.129 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCn2cncc2C1 ZINC001140464902 802946412 /nfs/dbraw/zinc/94/64/12/802946412.db2.gz FVTRZVOFLDDSLB-UHFFFAOYSA-N -1 3 263.728 2.258 20 10 CECDHM COc1ncccc1CNCc1cc(F)cc(F)c1[O-] ZINC000708466364 803386711 /nfs/dbraw/zinc/38/67/11/803386711.db2.gz RFTITRCTCCRZAX-UHFFFAOYSA-N -1 3 280.274 2.364 20 10 CECDHM C[C@H]1CCCN(Cc2c([O-])c(F)ccc2F)[C@H]1CO ZINC001139683459 814731140 /nfs/dbraw/zinc/73/11/40/814731140.db2.gz CYUIYRBIQSIBIR-ZANVPECISA-N -1 3 271.307 2.263 20 10 CECDHM Cn1nc(NCc2cc3ccccc3cc2[O-])ccc1=O ZINC001171404528 814888372 /nfs/dbraw/zinc/88/83/72/814888372.db2.gz FKQZOTQCNMBZHT-UHFFFAOYSA-N -1 3 281.315 2.251 20 10 CECDHM CCCNC(=O)[C@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC001138127850 815734512 /nfs/dbraw/zinc/73/45/12/815734512.db2.gz RUYJKKNJGZBVET-CQSZACIVSA-N -1 3 294.370 2.412 20 10 CECDHM COC[C@@H]1CCN1Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139129885 815964644 /nfs/dbraw/zinc/96/46/44/815964644.db2.gz JCDXJWPONXIBFE-NSHDSACASA-N -1 3 289.331 2.028 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CCC[C@@]12CCOC2 ZINC001139685170 816081823 /nfs/dbraw/zinc/08/18/23/816081823.db2.gz ALIQTSIQBIPJBC-AWEZNQCLSA-N -1 3 269.291 2.425 20 10 CECDHM [O-]c1cccc(Cl)c1CN(C1CC1)C1COC1 ZINC001140341168 816237042 /nfs/dbraw/zinc/23/70/42/816237042.db2.gz ALMKSTFDHOMEHU-UHFFFAOYSA-N -1 3 253.729 2.409 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCOC2(CC2)C1 ZINC001140342486 816237438 /nfs/dbraw/zinc/23/74/38/816237438.db2.gz LMTNZXQYQZXVLM-UHFFFAOYSA-N -1 3 253.729 2.410 20 10 CECDHM O=C(NCc1c(O)cccc1F)c1ccccc1[O-] ZINC001178410041 816742233 /nfs/dbraw/zinc/74/22/33/816742233.db2.gz JWZLSCHSNIJVBM-UHFFFAOYSA-N -1 3 261.252 2.167 20 10 CECDHM [O-]c1cccc(Cl)c1CN(CCO)Cc1cccnc1 ZINC000131796911 366089377 /nfs/dbraw/zinc/08/93/77/366089377.db2.gz OZNWJEONHDWODM-UHFFFAOYSA-N -1 3 292.766 2.435 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)c([O-])c1O ZINC000248413928 371190261 /nfs/dbraw/zinc/19/02/61/371190261.db2.gz LYLPIHOEKSFHSY-CYZMBNFOSA-N -1 3 291.347 2.094 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2C[C@H](C)O)c1[O-] ZINC000269865253 372583279 /nfs/dbraw/zinc/58/32/79/372583279.db2.gz XAEDWTJQQPEQQD-HZMBPMFUSA-N -1 3 295.354 2.469 20 10 CECDHM CCOC(=O)[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000272260705 373392783 /nfs/dbraw/zinc/39/27/83/373392783.db2.gz JWXVSJWVJNXWDE-GFCCVEGCSA-N -1 3 281.327 2.306 20 10 CECDHM O=C(NC1CCN(Cc2cccc(F)c2[O-])CC1)C1CC1 ZINC000272329486 373432477 /nfs/dbraw/zinc/43/24/77/373432477.db2.gz WAFJDKFIANJJLI-UHFFFAOYSA-N -1 3 292.354 2.022 20 10 CECDHM CO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272738001 373635679 /nfs/dbraw/zinc/63/56/79/373635679.db2.gz LLCRLGFEOLMKEZ-VXGBXAGGSA-N -1 3 279.336 2.094 20 10 CECDHM CN(CCOCCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000282650360 375539653 /nfs/dbraw/zinc/53/96/53/375539653.db2.gz FXOOIGKHEJWVKC-UHFFFAOYSA-N -1 3 294.178 2.140 20 10 CECDHM CCc1nc(C)c(CNC(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000293841739 377784848 /nfs/dbraw/zinc/78/48/48/377784848.db2.gz BGUFWASHGHSKKI-UHFFFAOYSA-N -1 3 290.319 2.195 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H]1CO ZINC000295061490 378038898 /nfs/dbraw/zinc/03/88/98/378038898.db2.gz ZXNCJOYLRDQRKX-SECBINFHSA-N -1 3 259.708 2.141 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C2CC2)C2COC2)c1[O-] ZINC000295394131 378137068 /nfs/dbraw/zinc/13/70/68/378137068.db2.gz LLZVQLPCZDAUGW-UHFFFAOYSA-N -1 3 279.311 2.097 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1C[C@H](O)C2(CC2)C1 ZINC000364446874 394904123 /nfs/dbraw/zinc/90/41/23/394904123.db2.gz KCBHMJHYHWLGJW-LBPRGKRZSA-N -1 3 253.729 2.002 20 10 CECDHM Cc1c([C@H](C)NCc2cccc(F)c2[O-])cnn1C ZINC000158718342 395052777 /nfs/dbraw/zinc/05/27/77/395052777.db2.gz ZTRMTWYSTOHRAX-VIFPVBQESA-N -1 3 263.316 2.424 20 10 CECDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000373498537 395061811 /nfs/dbraw/zinc/06/18/11/395061811.db2.gz ZLLCVKPGRLYJJS-NHYWBVRUSA-N -1 3 297.782 2.425 20 10 CECDHM CCOC(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000158398477 395044462 /nfs/dbraw/zinc/04/44/62/395044462.db2.gz GPVSFXMBUDWYGF-UHFFFAOYSA-N -1 3 298.770 2.320 20 10 CECDHM C[C@H](C[S@@](C)=O)N(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293603388 395243417 /nfs/dbraw/zinc/24/34/17/395243417.db2.gz LIBVNLIFHSXXGN-NTCNTBNZSA-N -1 3 293.791 2.384 20 10 CECDHM Cc1ccc(C(=O)N2CC[C@@H](OCC(C)C)C2)c([O-])c1O ZINC000182605586 261945580 /nfs/dbraw/zinc/94/55/80/261945580.db2.gz ABEHKYGMNVDRMX-GFCCVEGCSA-N -1 3 293.363 2.293 20 10 CECDHM C[C@H](NC[C@H](O)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276947813 263038807 /nfs/dbraw/zinc/03/88/07/263038807.db2.gz QJPSZPUQWBWUON-XNCJUZBTSA-N -1 3 285.212 2.244 20 10 CECDHM CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000280408284 263061167 /nfs/dbraw/zinc/06/11/67/263061167.db2.gz HQDXGCHUOTUOAI-GXTWGEPZSA-N -1 3 293.363 2.421 20 10 CECDHM CC[C@H](C)CONC(=O)c1ccc(C)c(O)c1[O-] ZINC000293826443 263150738 /nfs/dbraw/zinc/15/07/38/263150738.db2.gz VLOZXJUECMPNCH-QMMMGPOBSA-N -1 3 253.298 2.114 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H](CO)C2)c1[O-] ZINC000363158105 267077228 /nfs/dbraw/zinc/07/72/28/267077228.db2.gz SUORNZCTCRFIDF-LBPRGKRZSA-N -1 3 295.354 2.328 20 10 CECDHM [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H](c2nnc[n-]2)C1 ZINC000378498772 329053241 /nfs/dbraw/zinc/05/32/41/329053241.db2.gz QNFXVEINFWKBJV-NSHDSACASA-N -1 3 276.315 2.029 20 10 CECDHM [O-]c1c(F)cccc1C[N@H+]1CCC[C@H](c2nnc[n-]2)C1 ZINC000378498772 329053243 /nfs/dbraw/zinc/05/32/43/329053243.db2.gz QNFXVEINFWKBJV-NSHDSACASA-N -1 3 276.315 2.029 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000167858003 331308507 /nfs/dbraw/zinc/30/85/07/331308507.db2.gz GBQVITFSKDDJOC-MWLCHTKSSA-N -1 3 297.782 2.451 20 10 CECDHM C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(F)cc1[O-] ZINC000228093797 333294983 /nfs/dbraw/zinc/29/49/83/333294983.db2.gz YITPEAXFEDBNAT-MNOVXSKESA-N -1 3 280.343 2.193 20 10 CECDHM C[C@@H](N[C@H](C)c1cc(F)ccc1[O-])c1ncn(C)n1 ZINC000275774204 334794465 /nfs/dbraw/zinc/79/44/65/334794465.db2.gz VFFSEGNROMTZHP-RKDXNWHRSA-N -1 3 264.304 2.072 20 10 CECDHM CC(C)Cn1cc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000279350540 519513852 /nfs/dbraw/zinc/51/38/52/519513852.db2.gz RUBRVIYSQOJJQT-UHFFFAOYSA-N -1 3 275.308 2.203 20 10 CECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC ZINC000080660137 521287560 /nfs/dbraw/zinc/28/75/60/521287560.db2.gz SIMGHBVFJCLOGD-UHFFFAOYSA-N -1 3 287.157 2.316 20 10 CECDHM CO[C@]1(C)CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000279617862 521749569 /nfs/dbraw/zinc/74/95/69/521749569.db2.gz CGQUXVYMMBZOCZ-OAHLLOKOSA-N -1 3 279.336 2.047 20 10 CECDHM CN(Cc1nnc(C(C)(C)C)[nH]1)Cc1ccccc1[O-] ZINC000292478173 523542255 /nfs/dbraw/zinc/54/22/55/523542255.db2.gz AEEJDEAAVYYCLP-UHFFFAOYSA-N -1 3 274.368 2.440 20 10 CECDHM CO[C@H]1COC[C@@H]1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000289832935 524010257 /nfs/dbraw/zinc/01/02/57/524010257.db2.gz OKWQKUHWGMQICB-QWRGUYRKSA-N -1 3 292.162 2.202 20 10 CECDHM CN1Cc2ccccc2[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000369082899 524029296 /nfs/dbraw/zinc/02/92/96/524029296.db2.gz GWRZTLKGQAPWIP-AWEZNQCLSA-N -1 3 298.342 2.014 20 10 CECDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H](n2cncn2)C1 ZINC000372817387 526344967 /nfs/dbraw/zinc/34/49/67/526344967.db2.gz ZFVIUTIADAUHGM-SECBINFHSA-N -1 3 296.733 2.223 20 10 CECDHM Cn1cc(CNCc2c([O-])cccc2Cl)cn1 ZINC000083552140 527217603 /nfs/dbraw/zinc/21/76/03/527217603.db2.gz NNULZRUCVHLXIY-UHFFFAOYSA-N -1 3 251.717 2.069 20 10 CECDHM O=C([O-])NCC1([NH2+]Cc2ccccc2[O-])CCCC1 ZINC000740613899 574472538 /nfs/dbraw/zinc/47/25/38/574472538.db2.gz XZAJUKXNUNPHSI-UHFFFAOYSA-N -1 3 264.325 2.062 20 10 CECDHM COC[C@H](Cc1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000746709349 574509510 /nfs/dbraw/zinc/50/95/10/574509510.db2.gz IIFLTMTYMAYNNV-LBPRGKRZSA-N -1 3 291.372 2.441 20 10 CECDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)CC(C)(C)O1 ZINC000731871459 574604395 /nfs/dbraw/zinc/60/43/95/574604395.db2.gz LRYOJMBSPQCVCY-MRVPVSSYSA-N -1 3 255.339 2.093 20 10 CECDHM O=C(Nc1cnn(-c2ccncc2)c1)c1cc([O-])cs1 ZINC000732284379 574618080 /nfs/dbraw/zinc/61/80/80/574618080.db2.gz ROJDBLARZWWVIB-UHFFFAOYSA-N -1 3 286.316 2.287 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCc2ccc(O)cc2C1 ZINC000732269162 574616498 /nfs/dbraw/zinc/61/64/98/574616498.db2.gz GMYYPOCUHWRZTE-UHFFFAOYSA-N -1 3 275.329 2.358 20 10 CECDHM O=C(CCNC(=O)c1cc([O-])cs1)Nc1ccccc1 ZINC000733366480 574666303 /nfs/dbraw/zinc/66/63/03/574666303.db2.gz UXKAAIXAOMARET-UHFFFAOYSA-N -1 3 290.344 2.212 20 10 CECDHM O=C(NC[C@H]1OCCc2ccccc21)c1cc([O-])cs1 ZINC000733363769 574666756 /nfs/dbraw/zinc/66/67/56/574666756.db2.gz GOEQEBFITBSIIX-CYBMUJFWSA-N -1 3 289.356 2.498 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCOC[C@H]1c1ccco1 ZINC000735125981 574744844 /nfs/dbraw/zinc/74/48/44/574744844.db2.gz QEVBNPKMIGFMMO-JTQLQIEISA-N -1 3 279.317 2.260 20 10 CECDHM C[S@](=O)c1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000748355526 575184721 /nfs/dbraw/zinc/18/47/21/575184721.db2.gz RDKDLQBABJTLDQ-SFHVURJKSA-N -1 3 281.358 2.443 20 10 CECDHM COC(=O)C(C)(C)N(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000750826731 575276270 /nfs/dbraw/zinc/27/62/70/575276270.db2.gz XEGGPUKHHATEGY-UHFFFAOYSA-N -1 3 297.326 2.117 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](C(F)(F)F)C1 ZINC000311665257 627688855 /nfs/dbraw/zinc/68/88/55/627688855.db2.gz YEKFGXRPVAKUAN-ZETCQYMHSA-N -1 3 275.226 2.122 20 10 CECDHM COCc1ccccc1CNC(=O)c1cccc(O)c1[O-] ZINC000186892520 628261429 /nfs/dbraw/zinc/26/14/29/628261429.db2.gz IEYYELGJNIQZNH-UHFFFAOYSA-N -1 3 287.315 2.174 20 10 CECDHM C[C@H](NCc1csc(N)n1)c1ccc(F)cc1[O-] ZINC000902498682 634692312 /nfs/dbraw/zinc/69/23/12/634692312.db2.gz IJZDMNMKOASHGI-ZETCQYMHSA-N -1 3 267.329 2.421 20 10 CECDHM COCC1CN(Cc2cccc(Br)c2[O-])C1 ZINC000895971832 630424308 /nfs/dbraw/zinc/42/43/08/630424308.db2.gz USHRFUROEDFYPT-UHFFFAOYSA-N -1 3 286.169 2.233 20 10 CECDHM Cc1nc([C@@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)no1 ZINC000896230216 630504272 /nfs/dbraw/zinc/50/42/72/630504272.db2.gz IVBFBWWBSUJQHC-SNVBAGLBSA-N -1 3 295.289 2.351 20 10 CECDHM CO[C@@H](CC(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928706324 631128365 /nfs/dbraw/zinc/12/83/65/631128365.db2.gz QNYCVJHSRWISDM-ZDUSSCGKSA-N -1 3 269.316 2.209 20 10 CECDHM Cn1cncc1CNCc1cc(Cl)cc(F)c1[O-] ZINC000811509899 632393622 /nfs/dbraw/zinc/39/36/22/632393622.db2.gz KKDOZVQVILDNEQ-UHFFFAOYSA-N -1 3 269.707 2.208 20 10 CECDHM C[C@H]1CN(Cc2ccc3ccccc3c2[O-])CC(=O)N1C ZINC000816600232 633420717 /nfs/dbraw/zinc/42/07/17/633420717.db2.gz PQQOMWCDTOPFDR-LBPRGKRZSA-N -1 3 284.359 2.208 20 10 CECDHM CCOC1CN(Cc2ccc(Br)cc2[O-])C1 ZINC000826114057 635763311 /nfs/dbraw/zinc/76/33/11/635763311.db2.gz SVXGCPPSFXKHMS-UHFFFAOYSA-N -1 3 286.169 2.375 20 10 CECDHM Cc1nnc(CN(C)Cc2c([O-])cccc2Cl)o1 ZINC000827039342 636195957 /nfs/dbraw/zinc/19/59/57/636195957.db2.gz PRFMTBBAJUKJRR-UHFFFAOYSA-N -1 3 267.716 2.369 20 10 CECDHM COc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000126199512 650452693 /nfs/dbraw/zinc/45/26/93/650452693.db2.gz OYVYLZFJNWDSOA-UHFFFAOYSA-N -1 3 259.261 2.359 20 10 CECDHM O=C(N[C@H](CO)CC1CCCCC1)c1cccc(O)c1[O-] ZINC000841471249 639772143 /nfs/dbraw/zinc/77/21/43/639772143.db2.gz XSOUVZKJLDKCGD-LBPRGKRZSA-N -1 3 293.363 2.159 20 10 CECDHM C[C@@H](CC(=O)c1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000185838641 642038341 /nfs/dbraw/zinc/03/83/41/642038341.db2.gz VQZIBCUEERTCCP-NSHDSACASA-N -1 3 299.326 2.489 20 10 CECDHM Cc1cc(Cl)cc(C[NH2+]C[C@H](C)C(=O)[O-])c1[O-] ZINC000848638513 642084290 /nfs/dbraw/zinc/08/42/90/642084290.db2.gz UURAHUYUNASCEY-QMMMGPOBSA-N -1 3 257.717 2.164 20 10 CECDHM CC[C@H](CSC)NC(=O)NCc1c([O-])cccc1F ZINC000921805445 642658976 /nfs/dbraw/zinc/65/89/76/642658976.db2.gz YZTQBFCWNFQHFY-SECBINFHSA-N -1 3 286.372 2.472 20 10 CECDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)[C@@H]1CCCOC1 ZINC000921862925 642762403 /nfs/dbraw/zinc/76/24/03/642762403.db2.gz LKWZTRWDKMDMFE-WDEREUQCSA-N -1 3 296.342 2.146 20 10 CECDHM CO[C@H]1CCCC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922352455 643045643 /nfs/dbraw/zinc/04/56/43/643045643.db2.gz MFFNRVSROLBZIN-JSGCOSHPSA-N -1 3 296.342 2.288 20 10 CECDHM COC1(CNC(=O)NCc2c([O-])cccc2F)CCCC1 ZINC000922642841 643174717 /nfs/dbraw/zinc/17/47/17/643174717.db2.gz ZJDZKDLBCJLNCS-UHFFFAOYSA-N -1 3 296.342 2.290 20 10 CECDHM C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cccc(O)c1[O-] ZINC000186944704 643371827 /nfs/dbraw/zinc/37/18/27/643371827.db2.gz YNHTVGKMSJAHIJ-FZMZJTMJSA-N -1 3 293.363 2.423 20 10 CECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1C[C@H]1c1ccco1 ZINC000922916823 643450512 /nfs/dbraw/zinc/45/05/12/643450512.db2.gz YGDLVXGQCILOSN-BXKDBHETSA-N -1 3 290.294 2.480 20 10 CECDHM CC1CC(CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000923368775 643681623 /nfs/dbraw/zinc/68/16/23/643681623.db2.gz BQDYBDIIPYFMOQ-UHFFFAOYSA-N -1 3 266.316 2.377 20 10 CECDHM O=C1N[C@@H](c2cc(F)ccc2[O-])N2CCc3ccccc3[C@H]12 ZINC000877856468 650931274 /nfs/dbraw/zinc/93/12/74/650931274.db2.gz SLQNSYOBYRLCPP-HZPDHXFCSA-N -1 3 298.317 2.259 20 10 CECDHM C[C@H](NCc1cc[nH]n1)c1cc(F)cc(F)c1[O-] ZINC000756552613 644663145 /nfs/dbraw/zinc/66/31/45/644663145.db2.gz GPDITJOTOVVDQG-ZETCQYMHSA-N -1 3 253.252 2.244 20 10 CECDHM O=C(C1CC1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768194434 646095610 /nfs/dbraw/zinc/09/56/10/646095610.db2.gz ZKOSVIIUCXILJR-UHFFFAOYSA-N -1 3 294.782 2.100 20 10 CECDHM CC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])[C@@H](C)C1 ZINC000769447752 646266882 /nfs/dbraw/zinc/26/68/82/646266882.db2.gz KWLPMHXQTNDLPB-JTQLQIEISA-N -1 3 282.771 2.098 20 10 CECDHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccccc2O)s1 ZINC000867835030 647973228 /nfs/dbraw/zinc/97/32/28/647973228.db2.gz ZOXCKCIXVUHMNF-QMMMGPOBSA-N -1 3 298.389 2.197 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@]2(CCCOC2)C1 ZINC000790843419 648455455 /nfs/dbraw/zinc/45/54/55/648455455.db2.gz GBJHIDNNOQFPSR-INIZCTEOSA-N -1 3 291.347 2.131 20 10 CECDHM O=C(NOC1CCCCC1)c1cccc(O)c1[O-] ZINC000790942620 648463116 /nfs/dbraw/zinc/46/31/16/648463116.db2.gz AGMNWXDSWSCVTJ-UHFFFAOYSA-N -1 3 251.282 2.092 20 10 CECDHM COCCN(C(=O)c1cccc(O)c1[O-])[C@H]1CC[C@@H](C)C1 ZINC000791772880 648565078 /nfs/dbraw/zinc/56/50/78/648565078.db2.gz FDSPFGCCHJIJBF-NEPJUHHUSA-N -1 3 293.363 2.375 20 10 CECDHM CNC(=O)[C@@H]1CCCCN1Cc1cc(Cl)ccc1[O-] ZINC000133039689 652587596 /nfs/dbraw/zinc/58/75/96/652587596.db2.gz CBNLYSPDFNLOFJ-LBPRGKRZSA-N -1 3 282.771 2.146 20 10 CECDHM Cc1ccc(C(=O)NCc2ccccc2O)c([O-])c1 ZINC000133799621 652720792 /nfs/dbraw/zinc/72/07/92/652720792.db2.gz RAQQJNBMBWSOLC-UHFFFAOYSA-N -1 3 257.289 2.336 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCO[C@H](CCF)C1 ZINC000700589864 809325950 /nfs/dbraw/zinc/32/59/50/809325950.db2.gz DEQBIDJUMDEJNL-GFCCVEGCSA-N -1 3 257.280 2.092 20 10 CECDHM CCO[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000701708111 809450790 /nfs/dbraw/zinc/45/07/90/809450790.db2.gz CQCOXPRWCFBGDR-ZDUSSCGKSA-N -1 3 281.327 2.345 20 10 CECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cnc2ccccn21 ZINC001148220094 814537842 /nfs/dbraw/zinc/53/78/42/814537842.db2.gz PXCDGCCZLIRAMF-SNVBAGLBSA-N -1 3 297.314 2.237 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCO[C@@H](c2ccccn2)C1 ZINC001140058977 816180888 /nfs/dbraw/zinc/18/08/88/816180888.db2.gz RVDWSPUPYFAFRB-MRXNPFEDSA-N -1 3 288.322 2.500 20 10 CECDHM CC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])[C@@H](C)C1 ZINC001140465119 816260243 /nfs/dbraw/zinc/26/02/43/816260243.db2.gz HKAWYDBCOAJXCL-JTQLQIEISA-N -1 3 282.771 2.098 20 10 CECDHM O=C(/C=C\c1cncc(F)c1)NCc1c([O-])cccc1F ZINC001178416975 816743953 /nfs/dbraw/zinc/74/39/53/816743953.db2.gz SHICLDSTTFFBCN-PLNGDYQASA-N -1 3 290.269 2.395 20 10 CECDHM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(F)ccc3[O-])[C@H]2C1 ZINC000246063142 344613788 /nfs/dbraw/zinc/61/37/88/344613788.db2.gz ZHQBDFUDNPYIQU-IJEWVQPXSA-N -1 3 295.354 2.300 20 10 CECDHM Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H]3C2)c([O-])c1O ZINC000179543256 368341843 /nfs/dbraw/zinc/34/18/43/368341843.db2.gz NFMZEQBWZNSXTN-GHMZBOCLSA-N -1 3 261.321 2.278 20 10 CECDHM CC(C)COC(=O)CN(C)Cc1ccccc1[O-] ZINC000181485015 368462331 /nfs/dbraw/zinc/46/23/31/368462331.db2.gz WXCHIRLRIBITCP-UHFFFAOYSA-N -1 3 251.326 2.023 20 10 CECDHM CCCCn1nccc1NC(=O)c1cccc(O)c1[O-] ZINC000188339038 369340611 /nfs/dbraw/zinc/34/06/11/369340611.db2.gz JCAGMICONFWCBL-UHFFFAOYSA-N -1 3 275.308 2.347 20 10 CECDHM CCOC(=O)[C@H](C)N(Cc1ccccc1[O-])C1CC1 ZINC000191713317 369735797 /nfs/dbraw/zinc/73/57/97/369735797.db2.gz WJOGJUVAGHCJOZ-NSHDSACASA-N -1 3 263.337 2.308 20 10 CECDHM C[C@H](CN(C)C(=O)c1cccc(O)c1[O-])c1nccs1 ZINC000193161882 369900474 /nfs/dbraw/zinc/90/04/74/369900474.db2.gz TZWLWPAOSYDKAD-SECBINFHSA-N -1 3 292.360 2.430 20 10 CECDHM O=C(NC[C@H]1OCCc2ccccc21)c1cccc(O)c1[O-] ZINC000366163187 372994931 /nfs/dbraw/zinc/99/49/31/372994931.db2.gz VUEJZWUSKIPAAD-OAHLLOKOSA-N -1 3 299.326 2.142 20 10 CECDHM C[C@](O)(CNCc1cccc(Cl)c1[O-])C(F)(F)F ZINC000271765127 373201733 /nfs/dbraw/zinc/20/17/33/373201733.db2.gz AHMUDIYINMFBCC-JTQLQIEISA-N -1 3 283.677 2.449 20 10 CECDHM Cc1nc(C(C)(C)NCc2cc(F)ccc2[O-])no1 ZINC000272384652 373458731 /nfs/dbraw/zinc/45/87/31/373458731.db2.gz IBIBBTBGGARRDG-UHFFFAOYSA-N -1 3 265.288 2.248 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](O)C(C)(C)C2)c1[O-] ZINC000275450838 374215263 /nfs/dbraw/zinc/21/52/63/374215263.db2.gz LUSPCBUZRUVSFJ-CQSZACIVSA-N -1 3 295.354 2.327 20 10 CECDHM CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CCCO1 ZINC000281561714 375388063 /nfs/dbraw/zinc/38/80/63/375388063.db2.gz KYLLAIAABVILOD-NSHDSACASA-N -1 3 279.336 2.047 20 10 CECDHM CN(CCNC(=O)OC(C)(C)C)Cc1cccc(F)c1[O-] ZINC000296542210 378567866 /nfs/dbraw/zinc/56/78/66/378567866.db2.gz MEGARKIRJLKRBR-UHFFFAOYSA-N -1 3 298.358 2.488 20 10 CECDHM [O-]c1cc2c(cc1CN(CC(F)F)C1CC1)OCO2 ZINC000106857112 394725290 /nfs/dbraw/zinc/72/52/90/394725290.db2.gz VSKGOCULONYGRE-UHFFFAOYSA-N -1 3 271.263 2.350 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCC[C@H](OCCO)C1 ZINC000271171233 394749758 /nfs/dbraw/zinc/74/97/58/394749758.db2.gz IXCGPEPTUKRXMK-NSHDSACASA-N -1 3 285.771 2.019 20 10 CECDHM CCSCCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000281944316 394882156 /nfs/dbraw/zinc/88/21/56/394882156.db2.gz CJJONXNCEHLXAQ-UHFFFAOYSA-N -1 3 269.366 2.279 20 10 CECDHM Cc1ccc(C(=O)N2CCSC(C)(C)C2)c([O-])c1O ZINC000182576872 395245113 /nfs/dbraw/zinc/24/51/13/395245113.db2.gz URIAIIYLJMHVMB-UHFFFAOYSA-N -1 3 281.377 2.374 20 10 CECDHM COC(C)(C)C[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000193096430 292066021 /nfs/dbraw/zinc/06/60/21/292066021.db2.gz HSXCDDMJLZEXSH-SECBINFHSA-N -1 3 267.325 2.031 20 10 CECDHM Cc1ccc(C(=O)NC[C@H](CCO)CC(C)C)c([O-])c1O ZINC000179545745 261795198 /nfs/dbraw/zinc/79/51/98/261795198.db2.gz NHHRZYQURJDGKY-GFCCVEGCSA-N -1 3 295.379 2.181 20 10 CECDHM CC(C)(C)C(=O)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179918499 261825026 /nfs/dbraw/zinc/82/50/26/261825026.db2.gz NGMXNFPRUZXLHB-UHFFFAOYSA-N -1 3 294.370 2.222 20 10 CECDHM [O-]c1ccc(F)cc1CN(CCCO)Cc1ccccn1 ZINC000289567533 263110935 /nfs/dbraw/zinc/11/09/35/263110935.db2.gz ZHNBUJFGSBPGMC-UHFFFAOYSA-N -1 3 290.338 2.311 20 10 CECDHM [O-]c1c(F)cccc1CNc1cnccc1-n1ccnn1 ZINC000368034270 267139284 /nfs/dbraw/zinc/13/92/84/267139284.db2.gz ARFISASUYWRXMQ-UHFFFAOYSA-N -1 3 285.282 2.119 20 10 CECDHM CC[C@H](NCCS(C)(=O)=O)c1cccc(Cl)c1[O-] ZINC000287314631 288042533 /nfs/dbraw/zinc/04/25/33/288042533.db2.gz DBICOFDUCGZJCE-NSHDSACASA-N -1 3 291.800 2.131 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377709676 329026341 /nfs/dbraw/zinc/02/63/41/329026341.db2.gz ZGDGDKWTMBQIAX-UKRRQHHQSA-N -1 3 297.782 2.425 20 10 CECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1COc2ccccc21 ZINC000187204731 329354863 /nfs/dbraw/zinc/35/48/63/329354863.db2.gz HZGMMZHBCORZFP-GWCFXTLKSA-N -1 3 299.326 2.392 20 10 CECDHM COc1cc(Cl)cc(CN2CCOC[C@H]2C)c1[O-] ZINC000228629784 522537932 /nfs/dbraw/zinc/53/79/32/522537932.db2.gz SLJNVWABOIHYTI-SECBINFHSA-N -1 3 271.744 2.275 20 10 CECDHM COC[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C)O1 ZINC000275876566 522870321 /nfs/dbraw/zinc/87/03/21/522870321.db2.gz ATGVBTCDJBRBAD-GHMZBOCLSA-N -1 3 285.771 2.281 20 10 CECDHM O=C(NCCc1cccc(O)c1)c1cc([O-])cs1 ZINC000731872829 574604611 /nfs/dbraw/zinc/60/46/11/574604611.db2.gz SCEJPIDREUXUFC-UHFFFAOYSA-N -1 3 263.318 2.132 20 10 CECDHM COc1ccccc1OCCNC(=O)c1cc([O-])cs1 ZINC000731867978 574604864 /nfs/dbraw/zinc/60/48/64/574604864.db2.gz GDSFDNIVSZUYDF-UHFFFAOYSA-N -1 3 293.344 2.271 20 10 CECDHM CC(=O)Nc1nc(COC(=O)c2cc([O-])cs2)cs1 ZINC000731910548 574605538 /nfs/dbraw/zinc/60/55/38/574605538.db2.gz SLIICPJQWHHNHK-UHFFFAOYSA-N -1 3 298.345 2.226 20 10 CECDHM CC(C)Cc1noc(COC(=O)c2cc([O-])cs2)n1 ZINC000731910915 574605640 /nfs/dbraw/zinc/60/56/40/574605640.db2.gz WSWDBHROWLPOIC-UHFFFAOYSA-N -1 3 282.321 2.392 20 10 CECDHM Cc1cc([O-])c(C[N@@H+]2CCSC[C@H]2CC(=O)[O-])cc1C ZINC000738463490 574864695 /nfs/dbraw/zinc/86/46/95/574864695.db2.gz HOBQPWNTTQHOAR-CYBMUJFWSA-N -1 3 295.404 2.401 20 10 CECDHM Cc1cc([O-])c(C[N@H+]2CCSC[C@H]2CC(=O)[O-])cc1C ZINC000738463490 574864696 /nfs/dbraw/zinc/86/46/96/574864696.db2.gz HOBQPWNTTQHOAR-CYBMUJFWSA-N -1 3 295.404 2.401 20 10 CECDHM CS[C@H]1CC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000743729393 575109273 /nfs/dbraw/zinc/10/92/73/575109273.db2.gz ZNOMKMHAWVCANX-APPZFPTMSA-N -1 3 257.380 2.468 20 10 CECDHM O=C(NCc1ccccc1O)c1c[n-]c2ccccc2c1=O ZINC000748345628 575183694 /nfs/dbraw/zinc/18/36/94/575183694.db2.gz FVCCXSHENTUDOZ-UHFFFAOYSA-N -1 3 294.310 2.164 20 10 CECDHM C[C@H](C[C@@H]1CCCN1C(=O)[O-])[NH2+]Cc1ccccc1[O-] ZINC000824766020 605514577 /nfs/dbraw/zinc/51/45/77/605514577.db2.gz BAEYQXYHXYLWBS-YPMHNXCESA-N -1 3 278.352 2.403 20 10 CECDHM COc1cccc(O)c1CNc1cccc(-c2nnn[n-]2)c1 ZINC000826217301 609472623 /nfs/dbraw/zinc/47/26/23/609472623.db2.gz HAZIWCYCJQDEGP-UHFFFAOYSA-N -1 3 297.318 2.193 20 10 CECDHM COc1cccc(O)c1CNc1cccc(-c2nn[n-]n2)c1 ZINC000826217301 609472625 /nfs/dbraw/zinc/47/26/25/609472625.db2.gz HAZIWCYCJQDEGP-UHFFFAOYSA-N -1 3 297.318 2.193 20 10 CECDHM O=C(N[C@@H]1CC2CCC1CC2)c1cccc(O)c1[O-] ZINC000311685748 627691345 /nfs/dbraw/zinc/69/13/45/627691345.db2.gz JOBSWROCEVBCNP-RTYFJBAXSA-N -1 3 261.321 2.406 20 10 CECDHM COc1cccc(CCNC(=O)c2cccc(O)c2[O-])c1 ZINC000186949508 628753652 /nfs/dbraw/zinc/75/36/52/628753652.db2.gz COSHVHFCPKQFCR-UHFFFAOYSA-N -1 3 287.315 2.079 20 10 CECDHM CN(Cc1cc(F)ccc1[O-])[C@@H]1CC(C)(C)OC1=O ZINC000814179793 629210595 /nfs/dbraw/zinc/21/05/95/629210595.db2.gz YTQRJAPZALYETI-LLVKDONJSA-N -1 3 267.300 2.057 20 10 CECDHM C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1C(=O)[O-] ZINC000311402405 629437550 /nfs/dbraw/zinc/43/75/50/629437550.db2.gz VOGLVGPFZYPHDD-SKDRFNHKSA-N -1 3 267.300 2.074 20 10 CECDHM C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1C(=O)[O-] ZINC000311402405 629437552 /nfs/dbraw/zinc/43/75/52/629437552.db2.gz VOGLVGPFZYPHDD-SKDRFNHKSA-N -1 3 267.300 2.074 20 10 CECDHM [O-]c1cccc(F)c1CNCc1cnn(CC(F)F)c1 ZINC000896637205 630620392 /nfs/dbraw/zinc/62/03/92/630620392.db2.gz IUYVHZXVRYWEKT-UHFFFAOYSA-N -1 3 285.269 2.283 20 10 CECDHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1O ZINC000798099483 630812375 /nfs/dbraw/zinc/81/23/75/630812375.db2.gz AWEOGIDVRFXLGB-UHFFFAOYSA-N -1 3 289.287 2.373 20 10 CECDHM CSC[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928711815 631131476 /nfs/dbraw/zinc/13/14/76/631131476.db2.gz LLAPAEGBBRAMHB-MRVPVSSYSA-N -1 3 257.330 2.147 20 10 CECDHM Cc1cc([O-])c(CN2CCOC[C@@]23CCOC3)cc1Cl ZINC000825773525 635711452 /nfs/dbraw/zinc/71/14/52/635711452.db2.gz JEEGXSQMSFBNHD-HNNXBMFYSA-N -1 3 297.782 2.345 20 10 CECDHM O=C(C1CC1)[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000811501860 632392037 /nfs/dbraw/zinc/39/20/37/632392037.db2.gz ANKCHQKZRSDHCR-CQSZACIVSA-N -1 3 295.766 2.226 20 10 CECDHM COC(=O)[C@@H](C)NCc1ccc2ccccc2c1[O-] ZINC000816596396 633419318 /nfs/dbraw/zinc/41/93/18/633419318.db2.gz ACJTWNNIZYBDJR-SNVBAGLBSA-N -1 3 259.305 2.197 20 10 CECDHM Cc1cc([O-])c(CN2CCNC(=O)C2(C)C)cc1Cl ZINC000824708959 635481655 /nfs/dbraw/zinc/48/16/55/635481655.db2.gz IWYKUZZJFNMQHJ-UHFFFAOYSA-N -1 3 282.771 2.064 20 10 CECDHM C[C@H](O)CN(Cc1c([O-])cccc1Cl)CC(F)F ZINC000825098225 635566079 /nfs/dbraw/zinc/56/60/79/635566079.db2.gz DGDOPTOYDLAHTD-QMMMGPOBSA-N -1 3 279.714 2.494 20 10 CECDHM [O-]c1cc(Br)ccc1CN1CC(F)C1 ZINC000825494176 635646559 /nfs/dbraw/zinc/64/65/59/635646559.db2.gz GNADMUURPHEVNE-UHFFFAOYSA-N -1 3 260.106 2.308 20 10 CECDHM Cc1cc([O-])c(CN2C[C@H](F)C[C@H]2CO)cc1Cl ZINC000825629455 635680554 /nfs/dbraw/zinc/68/05/54/635680554.db2.gz WQTUQYMZXVITBQ-MNOVXSKESA-N -1 3 273.735 2.259 20 10 CECDHM Cc1cc([O-])c(CN2CCc3nn[nH]c3C2)c(Cl)c1 ZINC000827877832 636449418 /nfs/dbraw/zinc/44/94/18/636449418.db2.gz SZYHIIRFNPWFEG-UHFFFAOYSA-N -1 3 278.743 2.030 20 10 CECDHM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CCCCF ZINC000829910919 636954210 /nfs/dbraw/zinc/95/42/10/636954210.db2.gz OGRATVLOWIBAPS-UHFFFAOYSA-N -1 3 289.328 2.086 20 10 CECDHM CC1(O)CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876747048 650416768 /nfs/dbraw/zinc/41/67/68/650416768.db2.gz TVBOTSYSJCGEDI-UHFFFAOYSA-N -1 3 257.280 2.017 20 10 CECDHM C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876759556 650423353 /nfs/dbraw/zinc/42/33/53/650423353.db2.gz MZOOXCOFNSQCLG-CYBMUJFWSA-N -1 3 257.280 2.017 20 10 CECDHM O=C(Nc1ccc2c(c1)OCO2)c1cccc(O)c1[O-] ZINC000126235710 650479592 /nfs/dbraw/zinc/47/95/92/650479592.db2.gz BTJYBXHDTRFXJX-UHFFFAOYSA-N -1 3 273.244 2.079 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H](CF)C1 ZINC000840953779 639599143 /nfs/dbraw/zinc/59/91/43/639599143.db2.gz AKTGJPWKGLFJCY-NSHDSACASA-N -1 3 259.708 2.216 20 10 CECDHM CN(C)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000126268224 650511407 /nfs/dbraw/zinc/51/14/07/650511407.db2.gz OFWVBDCJHYUXSU-UHFFFAOYSA-N -1 3 272.304 2.416 20 10 CECDHM CC1(C(=O)[O-])CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000232844293 640597414 /nfs/dbraw/zinc/59/74/14/640597414.db2.gz KLQKYDPFQQSBFS-UHFFFAOYSA-N -1 3 267.300 2.218 20 10 CECDHM COc1ccc(N(C)CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000844353411 640688698 /nfs/dbraw/zinc/68/86/98/640688698.db2.gz WCFBJSXWCNYZQJ-UHFFFAOYSA-N -1 3 290.285 2.200 20 10 CECDHM O=S(=O)(CCCC1CC1)NCc1c([O-])cccc1F ZINC000921450956 641284380 /nfs/dbraw/zinc/28/43/80/641284380.db2.gz HZCCULRIYCFKBR-UHFFFAOYSA-N -1 3 287.356 2.141 20 10 CECDHM CN(CCc1cccs1)C(=O)c1cccc(O)c1[O-] ZINC000126477156 650676974 /nfs/dbraw/zinc/67/69/74/650676974.db2.gz WJBPZQWCVWUVAZ-UHFFFAOYSA-N -1 3 277.345 2.474 20 10 CECDHM [O-]c1c(CN2CC([C@@H]3CCOC3)C2)ccc(F)c1F ZINC000877488248 650746696 /nfs/dbraw/zinc/74/66/96/650746696.db2.gz CYWCDZWZPKKHBK-SNVBAGLBSA-N -1 3 269.291 2.139 20 10 CECDHM O=C(Nc1ccc(O)cc1F)c1cccc(O)c1[O-] ZINC000126576082 650778049 /nfs/dbraw/zinc/77/80/49/650778049.db2.gz QXKROLGCOMTPDM-UHFFFAOYSA-N -1 3 263.224 2.195 20 10 CECDHM CC1(C)SC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922381432 643055017 /nfs/dbraw/zinc/05/50/17/643055017.db2.gz CWMGKYWDEPNHTO-LLVKDONJSA-N -1 3 284.356 2.225 20 10 CECDHM C[C@@H]1COCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000922443286 643073817 /nfs/dbraw/zinc/07/38/17/643073817.db2.gz BLIZROBDQVGRFE-GHMZBOCLSA-N -1 3 296.342 2.003 20 10 CECDHM COc1cc(CNCc2cc(Cl)c(F)cc2[O-])on1 ZINC000877635359 650826542 /nfs/dbraw/zinc/82/65/42/650826542.db2.gz OANXURSDSJQLJX-UHFFFAOYSA-N -1 3 286.690 2.471 20 10 CECDHM CN(C)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000186792067 643345310 /nfs/dbraw/zinc/34/53/10/643345310.db2.gz ZSEWGABZIYBDIR-UHFFFAOYSA-N -1 3 286.331 2.094 20 10 CECDHM O=C([O-])CCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000086755903 643392876 /nfs/dbraw/zinc/39/28/76/643392876.db2.gz OGCCDAHZQJEDJQ-UHFFFAOYSA-N -1 3 263.337 2.469 20 10 CECDHM COC1([C@H](C)NC(=O)NCc2c([O-])cccc2F)CCC1 ZINC000922904469 643446418 /nfs/dbraw/zinc/44/64/18/643446418.db2.gz NIPPEQYXFACFGK-JTQLQIEISA-N -1 3 296.342 2.288 20 10 CECDHM CC[C@@H](COCC1CC1)NC(=O)c1cccc(O)c1[O-] ZINC000855283881 644292307 /nfs/dbraw/zinc/29/23/07/644292307.db2.gz HYACHNRWXILEMQ-NSHDSACASA-N -1 3 279.336 2.033 20 10 CECDHM CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c([O-])c1 ZINC000863740561 646803295 /nfs/dbraw/zinc/80/32/95/646803295.db2.gz XREQEGMGYBCZHH-RISCZKNCSA-N -1 3 293.363 2.334 20 10 CECDHM CCOc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c([O-])c1 ZINC000863740561 646803297 /nfs/dbraw/zinc/80/32/97/646803297.db2.gz XREQEGMGYBCZHH-RISCZKNCSA-N -1 3 293.363 2.334 20 10 CECDHM C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccnn1C ZINC000866615282 647842316 /nfs/dbraw/zinc/84/23/16/647842316.db2.gz TYZSFRZYFFKMPI-NXEZZACHSA-N -1 3 290.323 2.446 20 10 CECDHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccccc1O ZINC000867835048 647973329 /nfs/dbraw/zinc/97/33/29/647973329.db2.gz ZUNNEVMXWPFSMD-QMMMGPOBSA-N -1 3 296.348 2.037 20 10 CECDHM COc1ccc(C)cc1CNC(=O)c1cccc(O)c1[O-] ZINC000790526715 648426378 /nfs/dbraw/zinc/42/63/78/648426378.db2.gz SHEDSSNSDOTXLL-UHFFFAOYSA-N -1 3 287.315 2.345 20 10 CECDHM CC(C)n1cc([C@H](C)NC(=O)c2cccc(O)c2[O-])cn1 ZINC000790707400 648441652 /nfs/dbraw/zinc/44/16/52/648441652.db2.gz OCBHEJFIBFDVGS-JTQLQIEISA-N -1 3 289.335 2.366 20 10 CECDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])[C@H]1CCCCO1 ZINC000790876635 648457808 /nfs/dbraw/zinc/45/78/08/648457808.db2.gz JHSSWNCQYWJQMU-CYBMUJFWSA-N -1 3 293.363 2.423 20 10 CECDHM COc1cc(Cl)cc(C[NH2+]CCCCC(=O)[O-])c1[O-] ZINC000874042148 649739944 /nfs/dbraw/zinc/73/99/44/649739944.db2.gz WBVDLRMYRPXFSV-UHFFFAOYSA-N -1 3 287.743 2.399 20 10 CECDHM CO[C@@H](CNC(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC000692957243 802385220 /nfs/dbraw/zinc/38/52/20/802385220.db2.gz GNGGTTPZXHHFFX-ZDUSSCGKSA-N -1 3 279.336 2.033 20 10 CECDHM COC(=O)CC1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140466221 802958007 /nfs/dbraw/zinc/95/80/07/802958007.db2.gz BRDQPQGJQBUXGM-UHFFFAOYSA-N -1 3 269.728 2.041 20 10 CECDHM CCOC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140467248 802959736 /nfs/dbraw/zinc/95/97/36/802959736.db2.gz ROKXUSTUDRHKBN-UHFFFAOYSA-N -1 3 298.770 2.320 20 10 CECDHM C[C@@]12CN(C(=O)c3cccc(O)c3[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC001117818734 814955804 /nfs/dbraw/zinc/95/58/04/814955804.db2.gz OESDKFGEEHSGFF-PCUPFXIVSA-N -1 3 285.343 2.382 20 10 CECDHM CC(C)[C@@H]1C[C@H](CNC(=O)c2cccc(O)c2[O-])CCO1 ZINC001117826060 814956665 /nfs/dbraw/zinc/95/66/65/814956665.db2.gz LNPCZIIXEDFTEO-RISCZKNCSA-N -1 3 293.363 2.279 20 10 CECDHM CCN1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000037322524 815138063 /nfs/dbraw/zinc/13/80/63/815138063.db2.gz MWOZZAFYFJAKAG-UHFFFAOYSA-N -1 3 296.798 2.386 20 10 CECDHM O=C(NCc1c([O-])cccc1F)c1cnoc1C1CC1 ZINC001119643470 815144487 /nfs/dbraw/zinc/14/44/87/815144487.db2.gz MCZIEEWLMVKMFI-UHFFFAOYSA-N -1 3 276.267 2.327 20 10 CECDHM CO[C@@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798267 808258140 /nfs/dbraw/zinc/25/81/40/808258140.db2.gz CQPFJAWIILJIQO-SNVBAGLBSA-N -1 3 259.708 2.405 20 10 CECDHM O=C([O-])[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000701535146 809441804 /nfs/dbraw/zinc/44/18/04/809441804.db2.gz JBADHVNPCHHDQZ-WFASDCNBSA-N -1 3 261.321 2.079 20 10 CECDHM O=C([O-])[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000701535146 809441807 /nfs/dbraw/zinc/44/18/07/809441807.db2.gz JBADHVNPCHHDQZ-WFASDCNBSA-N -1 3 261.321 2.079 20 10 CECDHM O=C(N[C@H]1CCCC1(F)F)c1cccc(O)c1[O-] ZINC000398406302 813672609 /nfs/dbraw/zinc/67/26/09/813672609.db2.gz ZOBHOIAKFICABT-VIFPVBQESA-N -1 3 257.236 2.015 20 10 CECDHM CC(C)n1ccc(NC(=O)c2cccc(O)c2[O-])cc1=O ZINC001148224444 814537688 /nfs/dbraw/zinc/53/76/88/814537688.db2.gz LTOGRURDMSAAJR-UHFFFAOYSA-N -1 3 288.303 2.093 20 10 CECDHM O=C(Nc1cccc2c1COC2)c1cc(O)c([O-])c(O)c1 ZINC001148586498 814591588 /nfs/dbraw/zinc/59/15/88/814591588.db2.gz PXWSMJAZJQGUHA-UHFFFAOYSA-N -1 3 287.271 2.086 20 10 CECDHM CCCNC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC001138127849 815735184 /nfs/dbraw/zinc/73/51/84/815735184.db2.gz RUYJKKNJGZBVET-AWEZNQCLSA-N -1 3 294.370 2.412 20 10 CECDHM Cc1ccc(C(=O)N2CCc3nc(F)ccc32)c([O-])c1O ZINC001149230170 815802930 /nfs/dbraw/zinc/80/29/30/815802930.db2.gz XLYLZGZLNGZVBN-UHFFFAOYSA-N -1 3 288.278 2.143 20 10 CECDHM C[C@@H]1CO[C@@H]2CN(Cc3c(F)ccc(F)c3[O-])C[C@H]12 ZINC001139686444 816084542 /nfs/dbraw/zinc/08/45/42/816084542.db2.gz ZUAVTHLVLGSAMZ-JRKPZEMJSA-N -1 3 269.291 2.137 20 10 CECDHM O=C1CN(Cc2cc(F)ccc2[O-])CCC[C@@H]1F ZINC001140058432 816180912 /nfs/dbraw/zinc/18/09/12/816180912.db2.gz YSXSVIDBRGDHSI-NSHDSACASA-N -1 3 255.264 2.034 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCO[C@H](c2ccncc2)C1 ZINC001140059123 816181222 /nfs/dbraw/zinc/18/12/22/816181222.db2.gz TZGYNJREZKORPK-INIZCTEOSA-N -1 3 288.322 2.500 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC=C(c2ccccn2)C1 ZINC001141387174 816530144 /nfs/dbraw/zinc/53/01/44/816530144.db2.gz HBAMMPKUUSAOJD-UHFFFAOYSA-N -1 3 296.326 2.422 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CC(OC(F)F)C1 ZINC000839145768 816563942 /nfs/dbraw/zinc/56/39/42/816563942.db2.gz VJPRYFABCGJDQB-UHFFFAOYSA-N -1 3 263.671 2.469 20 10 CECDHM COC(=O)[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508522 816676799 /nfs/dbraw/zinc/67/67/99/816676799.db2.gz BTTHMSAQVLXLCG-SECBINFHSA-N -1 3 285.290 2.055 20 10 CECDHM O=C(CCn1cc(Cl)cn1)NCc1c([O-])cccc1F ZINC001178413700 816744200 /nfs/dbraw/zinc/74/42/00/816744200.db2.gz WUJDOVKVIBXTNW-UHFFFAOYSA-N -1 3 297.717 2.088 20 10 CECDHM CC[C@@]1(C)CN(C(=O)c2ccc(C)c(O)c2[O-])CCO1 ZINC000135446077 366440550 /nfs/dbraw/zinc/44/05/50/366440550.db2.gz QHBBFLDHFKPETL-HNNXBMFYSA-N -1 3 279.336 2.047 20 10 CECDHM [O-]c1ccc(Br)cc1CN1CCC[C@H]1CO ZINC000092455543 364077352 /nfs/dbraw/zinc/07/73/52/364077352.db2.gz OWNNCONXFZRQBE-NSHDSACASA-N -1 3 286.169 2.111 20 10 CECDHM COC(=O)[C@@H](C)N(Cc1cc(F)ccc1[O-])C1CCC1 ZINC000191641058 369729505 /nfs/dbraw/zinc/72/95/05/369729505.db2.gz NVEIWQLMHCSIOR-SNVBAGLBSA-N -1 3 281.327 2.447 20 10 CECDHM [O-]c1c(F)cccc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000228003585 370391562 /nfs/dbraw/zinc/39/15/62/370391562.db2.gz PTEMWAWBWAPTRI-CHWSQXEVSA-N -1 3 251.301 2.285 20 10 CECDHM C[C@H]1CC[S@](=O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000365446122 372860675 /nfs/dbraw/zinc/86/06/75/372860675.db2.gz GQVUBLDEHKSZSM-YPMLDQLKSA-N -1 3 287.812 2.389 20 10 CECDHM O=C(NC1CC1)[C@H]1CCCN1Cc1c([O-])cccc1Cl ZINC000271060636 373100350 /nfs/dbraw/zinc/10/03/50/373100350.db2.gz FFTSGTJDVHPIHM-CYBMUJFWSA-N -1 3 294.782 2.289 20 10 CECDHM CCCOc1ccc(CN(CC(=O)OC)C2CC2)c([O-])c1 ZINC000271300856 373186831 /nfs/dbraw/zinc/18/68/31/373186831.db2.gz UEPJKJIMKYVYLO-UHFFFAOYSA-N -1 3 293.363 2.318 20 10 CECDHM Cc1ccc(C(=O)NC23CCC(CC2)C3)c([O-])c1O ZINC000371774906 373974870 /nfs/dbraw/zinc/97/48/70/373974870.db2.gz UTKBSGGQBAWJFO-UHFFFAOYSA-N -1 3 261.321 2.469 20 10 CECDHM COCC(C)(C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000292730254 377266505 /nfs/dbraw/zinc/26/65/05/377266505.db2.gz GDUKCKSXYGTRJE-UHFFFAOYSA-N -1 3 298.339 2.166 20 10 CECDHM Cc1ccc(C(=O)N2CCCOC(C)(C)C2)c([O-])c1O ZINC000361000500 394812460 /nfs/dbraw/zinc/81/24/60/394812460.db2.gz WHXWFLZRRBBVRH-UHFFFAOYSA-N -1 3 279.336 2.047 20 10 CECDHM CC(=O)N1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000133280350 394948127 /nfs/dbraw/zinc/94/81/27/394948127.db2.gz ICOGKYLFBWQJGC-UHFFFAOYSA-N -1 3 282.771 2.100 20 10 CECDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000373498535 395061733 /nfs/dbraw/zinc/06/17/33/395061733.db2.gz ZLLCVKPGRLYJJS-IAQYHMDHSA-N -1 3 297.782 2.425 20 10 CECDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000373634446 395063839 /nfs/dbraw/zinc/06/38/39/395063839.db2.gz FAWQULBBIYKYFV-WBMJQRKESA-N -1 3 295.354 2.301 20 10 CECDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@@H]2CCC[C@H]2O1 ZINC000374203761 395076941 /nfs/dbraw/zinc/07/69/41/395076941.db2.gz FNCHYKZKGJARJI-DGCLKSJQSA-N -1 3 291.347 2.270 20 10 CECDHM CC(C)OC[C@@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000372115620 395035448 /nfs/dbraw/zinc/03/54/48/395035448.db2.gz FFXPHKXUXMCRPJ-AWEZNQCLSA-N -1 3 265.353 2.018 20 10 CECDHM Cc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCO2)c([O-])c1O ZINC000375976002 395105531 /nfs/dbraw/zinc/10/55/31/395105531.db2.gz SPTALUMAVYUMSQ-STQMWFEESA-N -1 3 291.347 2.190 20 10 CECDHM CCN(C[C@H]1CCCO1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000177675702 395154294 /nfs/dbraw/zinc/15/42/94/395154294.db2.gz QRTKVUNYAKWMKV-LLVKDONJSA-N -1 3 279.336 2.047 20 10 CECDHM CO[C@@]1(C)C[C@@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000185778403 262069767 /nfs/dbraw/zinc/06/97/67/262069767.db2.gz RPWXRIDWDSBCER-ABAIWWIYSA-N -1 3 279.336 2.031 20 10 CECDHM CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(F)cc1[O-] ZINC000186029873 262076241 /nfs/dbraw/zinc/07/62/41/262076241.db2.gz OAINZQAJJNTLQL-UWVGGRQHSA-N -1 3 289.372 2.005 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCS(=O)(=O)CC[C@H]1C ZINC000368037445 267139932 /nfs/dbraw/zinc/13/99/32/267139932.db2.gz MXDOUGVERNGSHZ-TZMCWYRMSA-N -1 3 297.420 2.352 20 10 CECDHM O=C(NC1CC1)[C@@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000179488252 329209185 /nfs/dbraw/zinc/20/91/85/329209185.db2.gz JFCXRGTWHOJLSZ-ZDUSSCGKSA-N -1 3 294.782 2.289 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CCC(O)CC2)c1[O-] ZINC000050132265 518278637 /nfs/dbraw/zinc/27/86/37/518278637.db2.gz JZLPSXVVIZJZDZ-UHFFFAOYSA-N -1 3 283.755 2.205 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)Cc2nccn2C)c1[O-] ZINC000062254610 518284019 /nfs/dbraw/zinc/28/40/19/518284019.db2.gz ZGKYLEIFVXURSG-UHFFFAOYSA-N -1 3 291.326 2.099 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CO)c1[O-] ZINC000050152210 518285326 /nfs/dbraw/zinc/28/53/26/518285326.db2.gz JWRQGFYTPPBHKA-ZDUSSCGKSA-N -1 3 281.327 2.081 20 10 CECDHM CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(F)cc1[O-] ZINC000188476434 520201513 /nfs/dbraw/zinc/20/15/13/520201513.db2.gz YESBITJUGQZRDO-NXEZZACHSA-N -1 3 268.332 2.049 20 10 CECDHM CCCOc1ccc(CN2CCn3cncc3C2)c([O-])c1 ZINC000291653311 520350601 /nfs/dbraw/zinc/35/06/01/520350601.db2.gz UUCHURUCCDRBGG-UHFFFAOYSA-N -1 3 287.363 2.393 20 10 CECDHM CCCOc1ccc(CN2C[C@H](F)C[C@@H]2CO)c([O-])c1 ZINC000364846786 520351456 /nfs/dbraw/zinc/35/14/56/520351456.db2.gz VINMQWFNWNCMAE-CHWSQXEVSA-N -1 3 283.343 2.086 20 10 CECDHM CCCOc1ccc(CN[C@@H](C)c2ncnn2C)c([O-])c1 ZINC000276770645 520372744 /nfs/dbraw/zinc/37/27/44/520372744.db2.gz VUQFSFFLAQFWCE-NSHDSACASA-N -1 3 290.367 2.160 20 10 CECDHM CCC[C@]1(C)C(=O)NCCN1Cc1cccc(F)c1[O-] ZINC000276064757 521305716 /nfs/dbraw/zinc/30/57/16/521305716.db2.gz VPDPIMVFAXVJRY-OAHLLOKOSA-N -1 3 280.343 2.022 20 10 CECDHM CC[C@H](NCc1ncn(C)n1)c1ccc(C)cc1[O-] ZINC000280269153 522673483 /nfs/dbraw/zinc/67/34/83/522673483.db2.gz XTQQBYSEMVMVCG-LBPRGKRZSA-N -1 3 260.341 2.070 20 10 CECDHM CN(Cc1c([O-])cccc1Cl)CC1(CO)CC1 ZINC000275697812 523156625 /nfs/dbraw/zinc/15/66/25/523156625.db2.gz BGYNTFAAMNKRQE-UHFFFAOYSA-N -1 3 255.745 2.250 20 10 CECDHM CCn1nc(NC(=O)c2cccc(O)c2[O-])cc1C1CC1 ZINC000279281876 523684806 /nfs/dbraw/zinc/68/48/06/523684806.db2.gz LMJXQGYLEOBENY-UHFFFAOYSA-N -1 3 287.319 2.444 20 10 CECDHM CNC(=O)[C@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000291918247 524101124 /nfs/dbraw/zinc/10/11/24/524101124.db2.gz NORXWZQJLXMOPJ-RQJHMYQMSA-N -1 3 291.178 2.484 20 10 CECDHM [O-]c1ccc(F)cc1CN1C[C@H](O)Cc2ccccc21 ZINC000279529867 526349615 /nfs/dbraw/zinc/34/96/15/526349615.db2.gz ZGGUBSXDNCNGGC-CQSZACIVSA-N -1 3 273.307 2.455 20 10 CECDHM O=C(NCc1ccc2c(c1)OCO2)c1cc([O-])cs1 ZINC000731862073 574604285 /nfs/dbraw/zinc/60/42/85/574604285.db2.gz YXDQXQBRQQPMIV-UHFFFAOYSA-N -1 3 277.301 2.112 20 10 CECDHM C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc([O-])cs1 ZINC000731909624 574605675 /nfs/dbraw/zinc/60/56/75/574605675.db2.gz GKSJEZQWNXRTQR-UWVGGRQHSA-N -1 3 297.376 2.400 20 10 CECDHM CC(C)n1cc(NC(=O)c2cc([O-])cs2)cn1 ZINC000732284124 574617931 /nfs/dbraw/zinc/61/79/31/574617931.db2.gz JFLRMMCUEXUDIW-UHFFFAOYSA-N -1 3 251.311 2.483 20 10 CECDHM CC(=O)Nc1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000732265872 574616444 /nfs/dbraw/zinc/61/64/44/574616444.db2.gz JMRWVCAWDRCGNI-UHFFFAOYSA-N -1 3 290.344 2.342 20 10 CECDHM COc1ncccc1NC(=O)c1cc([O-])cs1 ZINC000732272206 574616762 /nfs/dbraw/zinc/61/67/62/574616762.db2.gz NNFPVESGWWPERA-UHFFFAOYSA-N -1 3 250.279 2.110 20 10 CECDHM CC(C)c1nccn1CCNC(=O)c1cc([O-])cs1 ZINC000732278460 574616853 /nfs/dbraw/zinc/61/68/53/574616853.db2.gz NUXDLFRAHFVLBO-UHFFFAOYSA-N -1 3 279.365 2.204 20 10 CECDHM CC(C)[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N1CCCC1 ZINC000732355957 574619645 /nfs/dbraw/zinc/61/96/45/574619645.db2.gz WMNLOPGZPTUGGU-GFCCVEGCSA-N -1 3 297.376 2.258 20 10 CECDHM O=C(Nc1cnn(CC(F)(F)F)c1)c1cc([O-])cs1 ZINC000735689974 574765014 /nfs/dbraw/zinc/76/50/14/574765014.db2.gz JDNSVUBNMIEJBT-UHFFFAOYSA-N -1 3 291.254 2.465 20 10 CECDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)C[C@H](C)S1 ZINC000743728760 575109163 /nfs/dbraw/zinc/10/91/63/575109163.db2.gz WJLWLTNRXXZISF-YUMQZZPRSA-N -1 3 257.380 2.420 20 10 CECDHM CCc1noc([C@H](C)OC(=O)c2cc([O-])cs2)n1 ZINC000745002553 575130436 /nfs/dbraw/zinc/13/04/36/575130436.db2.gz MEAPCBVXHSPHKR-LURJTMIESA-N -1 3 268.294 2.317 20 10 CECDHM CC1(CNC(=O)c2cc([O-])cs2)CCOCC1 ZINC000753339402 575324275 /nfs/dbraw/zinc/32/42/75/575324275.db2.gz TXKMIZRSEAZYIX-UHFFFAOYSA-N -1 3 255.339 2.000 20 10 CECDHM O=C([O-])N1CC[C@H]([N@H+](Cc2ccccc2[O-])C2CC2)C1 ZINC000834086366 605692757 /nfs/dbraw/zinc/69/27/57/605692757.db2.gz YANSRLXNRYIGTE-ZDUSSCGKSA-N -1 3 276.336 2.109 20 10 CECDHM O=C([O-])N1CC[C@H]([N@@H+](Cc2ccccc2[O-])C2CC2)C1 ZINC000834086366 605692759 /nfs/dbraw/zinc/69/27/59/605692759.db2.gz YANSRLXNRYIGTE-ZDUSSCGKSA-N -1 3 276.336 2.109 20 10 CECDHM O=C(Nc1ccc2c[nH]nc2c1)c1cccc(O)c1[O-] ZINC000192970924 628457487 /nfs/dbraw/zinc/45/74/87/628457487.db2.gz FHBZUVNGSYBNME-UHFFFAOYSA-N -1 3 269.260 2.226 20 10 CECDHM C[C@@H](O)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000192989786 628458446 /nfs/dbraw/zinc/45/84/46/628458446.db2.gz MCMAOCBREYWMNS-SNVBAGLBSA-N -1 3 287.315 2.081 20 10 CECDHM CCN(Cc1cc(F)cc(F)c1[O-])C[C@H](O)C(F)(F)F ZINC000894494038 629495609 /nfs/dbraw/zinc/49/56/09/629495609.db2.gz LOMLRBGWCFTJSM-JTQLQIEISA-N -1 3 299.239 2.416 20 10 CECDHM Cc1nnc([C@H](C)NCc2cc(Cl)cc(F)c2[O-])[nH]1 ZINC000894771976 629626568 /nfs/dbraw/zinc/62/65/68/629626568.db2.gz CLDPKSPJQDJODN-LURJTMIESA-N -1 3 284.722 2.462 20 10 CECDHM CC(=O)NC[C@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC000895437219 630189488 /nfs/dbraw/zinc/18/94/88/630189488.db2.gz JGTGRPCBRQLDEI-CYBMUJFWSA-N -1 3 298.333 2.161 20 10 CECDHM Cn1cc(CNCc2c([O-])cccc2F)c(C(F)F)n1 ZINC000896636344 630620664 /nfs/dbraw/zinc/62/06/64/630620664.db2.gz BPKFQPFNXAGEIS-UHFFFAOYSA-N -1 3 285.269 2.492 20 10 CECDHM CCOC1CC2(C[C@H]2C(=O)NCc2c([O-])cccc2F)C1 ZINC000928708241 631129290 /nfs/dbraw/zinc/12/92/90/631129290.db2.gz FBELKWKJDRSRCC-YWFMTQBDSA-N -1 3 293.338 2.353 20 10 CECDHM COCc1cnc(NC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000804305284 631661725 /nfs/dbraw/zinc/66/17/25/631661725.db2.gz LNGVXSTYWWPELE-UHFFFAOYSA-N -1 3 294.332 2.261 20 10 CECDHM Cn1cnc(CNCc2cccc(Cl)c2[O-])c1 ZINC000898045646 632010207 /nfs/dbraw/zinc/01/02/07/632010207.db2.gz QUCQKSPQDAISJX-UHFFFAOYSA-N -1 3 251.717 2.069 20 10 CECDHM CCn1nc(C)c(CNCc2c([O-])cccc2Cl)n1 ZINC000818221677 633886571 /nfs/dbraw/zinc/88/65/71/633886571.db2.gz SAXHQBCBIFRIKX-UHFFFAOYSA-N -1 3 280.759 2.255 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1CC1CCC1 ZINC000819306753 634133817 /nfs/dbraw/zinc/13/38/17/634133817.db2.gz LDOZBEIRBPFVQM-GFCCVEGCSA-N -1 3 291.347 2.129 20 10 CECDHM CC(C)OC(=O)[C@H](C)NCc1cc(Cl)ccc1[O-] ZINC000825117526 635572019 /nfs/dbraw/zinc/57/20/19/635572019.db2.gz GLZUUTCMTXEVHB-VIFPVBQESA-N -1 3 271.744 2.475 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@H](C)C[C@H]2C(N)=O)cc1Cl ZINC000825568206 635666719 /nfs/dbraw/zinc/66/67/19/635666719.db2.gz UCTHENMRIFSCBL-ZANVPECISA-N -1 3 296.798 2.440 20 10 CECDHM Cc1cc([O-])c(CN[C@H](C)c2ncnn2C)cc1Cl ZINC000825671761 635691255 /nfs/dbraw/zinc/69/12/55/635691255.db2.gz OMQCBMLPWNOUHI-SECBINFHSA-N -1 3 280.759 2.333 20 10 CECDHM COC(=O)[C@H](C)NCc1cc(Cl)c(C)cc1[O-] ZINC000825691795 635695617 /nfs/dbraw/zinc/69/56/17/635695617.db2.gz BNTXRNSHHJOXIT-QMMMGPOBSA-N -1 3 257.717 2.005 20 10 CECDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])c(OC)c1 ZINC000126200201 650453505 /nfs/dbraw/zinc/45/35/05/650453505.db2.gz HMUHNSLCPGSBSY-UHFFFAOYSA-N -1 3 289.287 2.367 20 10 CECDHM O=C(NCc1cccc(F)c1)c1cccc(O)c1[O-] ZINC000126240828 650500559 /nfs/dbraw/zinc/50/05/59/650500559.db2.gz KZFHIFCMTCUVHL-UHFFFAOYSA-N -1 3 261.252 2.167 20 10 CECDHM CCc1cc(CNC(=O)NCc2c([O-])cccc2F)on1 ZINC000920099424 641116583 /nfs/dbraw/zinc/11/65/83/641116583.db2.gz SHNHGSQFMOUOAC-UHFFFAOYSA-N -1 3 293.298 2.081 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCc2ccccc2CC1 ZINC000126436248 650641169 /nfs/dbraw/zinc/64/11/69/650641169.db2.gz ZPJHOQLMPJXXDO-UHFFFAOYSA-N -1 3 283.327 2.339 20 10 CECDHM O=S(=O)(NCc1c([O-])cccc1F)C1CCCCC1 ZINC000921452316 641285612 /nfs/dbraw/zinc/28/56/12/641285612.db2.gz LNIAYODQVWBPGQ-UHFFFAOYSA-N -1 3 287.356 2.283 20 10 CECDHM Cc1ccc(C(=O)Nc2cnccc2C)c([O-])c1O ZINC000179481562 641355414 /nfs/dbraw/zinc/35/54/14/641355414.db2.gz COWPWUCOHRVLIX-UHFFFAOYSA-N -1 3 258.277 2.362 20 10 CECDHM CSC1(CNC(=O)NCc2c([O-])cccc2F)CC1 ZINC000922245607 642979060 /nfs/dbraw/zinc/97/90/60/642979060.db2.gz RBPSPQFQJSFTCT-UHFFFAOYSA-N -1 3 284.356 2.226 20 10 CECDHM COC1(CCNC(=O)NCc2c([O-])cccc2F)CCC1 ZINC000922609475 643160816 /nfs/dbraw/zinc/16/08/16/643160816.db2.gz IYRCTPVVUUBIGD-UHFFFAOYSA-N -1 3 296.342 2.290 20 10 CECDHM Cc1cc([O-])c(CNCc2ncc[nH]2)c(Cl)c1 ZINC000877672764 650844432 /nfs/dbraw/zinc/84/44/32/650844432.db2.gz MRPPWKKKYNPZQE-UHFFFAOYSA-N -1 3 251.717 2.367 20 10 CECDHM CCC(F)(F)CNC(=O)NCc1c([O-])cccc1F ZINC000923419639 643709326 /nfs/dbraw/zinc/70/93/26/643709326.db2.gz DFTDEPSBRSSRFY-UHFFFAOYSA-N -1 3 276.258 2.376 20 10 CECDHM C[C@@H](NCC(=O)NC1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756705568 644684074 /nfs/dbraw/zinc/68/40/74/644684074.db2.gz LFOQMRXRGAXYFR-SECBINFHSA-N -1 3 298.333 2.380 20 10 CECDHM C[C@H](NCc1nnnn1C1CC1)c1cc(Cl)ccc1[O-] ZINC000756732587 644687466 /nfs/dbraw/zinc/68/74/66/644687466.db2.gz MOZOWFIZAKCJJE-QMMMGPOBSA-N -1 3 293.758 2.218 20 10 CECDHM O=C(NCc1cc(Cl)ccc1O)c1cncc([O-])c1 ZINC000857548327 644919624 /nfs/dbraw/zinc/91/96/24/644919624.db2.gz JFYJVYQCLCWWKB-UHFFFAOYSA-N -1 3 278.695 2.076 20 10 CECDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](CO)c2ccsc2)c1 ZINC000769931897 646336593 /nfs/dbraw/zinc/33/65/93/646336593.db2.gz FKAFIPJUOQKFDH-LBPRGKRZSA-N -1 3 294.332 2.185 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000770304364 646378522 /nfs/dbraw/zinc/37/85/22/646378522.db2.gz MLNIWOYNVCCFIS-CABCVRRESA-N -1 3 297.782 2.425 20 10 CECDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775651124 646976171 /nfs/dbraw/zinc/97/61/71/646976171.db2.gz ZXMCCACVZSIEIQ-QMMMGPOBSA-N -1 3 287.718 2.180 20 10 CECDHM Cc1ccncc1[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000790912149 648460194 /nfs/dbraw/zinc/46/01/94/648460194.db2.gz NTYIQDVXMZZKAI-SNVBAGLBSA-N -1 3 272.304 2.292 20 10 CECDHM CO[C@H]1Cc2ccc(NC(=O)c3cccc(O)c3[O-])cc2C1 ZINC000790927115 648461243 /nfs/dbraw/zinc/46/12/43/648461243.db2.gz DCHVMKUUVIQWSO-ZDUSSCGKSA-N -1 3 299.326 2.464 20 10 CECDHM CON(C(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC000790933270 648461758 /nfs/dbraw/zinc/46/17/58/648461758.db2.gz ZNCIMDCRMHCLHD-UHFFFAOYSA-N -1 3 251.282 2.044 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CC[C@](O)(C(F)(F)F)C1 ZINC001142509110 806609603 /nfs/dbraw/zinc/60/96/03/806609603.db2.gz XCQJFZRCZRRXOW-LLVKDONJSA-N -1 3 297.223 2.170 20 10 CECDHM C[C@@H]1CC[C@@H](O)CN1Cc1cc(F)c(F)cc1[O-] ZINC001142508761 806609620 /nfs/dbraw/zinc/60/96/20/806609620.db2.gz KLWSDBKWXCFTEE-PSASIEDQSA-N -1 3 257.280 2.016 20 10 CECDHM COc1cc(NC(=O)c2cccc(O)c2[O-])ccc1F ZINC000160406884 806870119 /nfs/dbraw/zinc/87/01/19/806870119.db2.gz AMOYMQHXSUHKKH-UHFFFAOYSA-N -1 3 277.251 2.498 20 10 CECDHM COCC1CN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236802466 808167300 /nfs/dbraw/zinc/16/73/00/808167300.db2.gz QTIQANBWDCXRAJ-UHFFFAOYSA-N -1 3 271.744 2.132 20 10 CECDHM C[C@@H]1C[C@@H](O)CN1Cc1c([O-])ccc(F)c1Cl ZINC001237122464 808193503 /nfs/dbraw/zinc/19/35/03/808193503.db2.gz UZCWXDLSLZRVGL-HTQZYQBOSA-N -1 3 259.708 2.140 20 10 CECDHM CC1(C)CC[C@H](CNC(=O)c2cccc(O)c2[O-])OC1 ZINC000711237215 810051558 /nfs/dbraw/zinc/05/15/58/810051558.db2.gz KHKJKSOVARMYCN-SNVBAGLBSA-N -1 3 279.336 2.033 20 10 CECDHM O=C(Nc1ncnc2sccc21)c1cccc(O)c1[O-] ZINC001148212770 814536071 /nfs/dbraw/zinc/53/60/71/814536071.db2.gz LIOGUMHTRLXFJV-UHFFFAOYSA-N -1 3 287.300 2.355 20 10 CECDHM C=Cc1ccc(CNC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001148589699 814591760 /nfs/dbraw/zinc/59/17/60/814591760.db2.gz HRUCRCQSGSQFPT-UHFFFAOYSA-N -1 3 285.299 2.376 20 10 CECDHM C[C@H]1CN(Cc2cccc(F)c2[O-])CCCC1=O ZINC001138122529 815731719 /nfs/dbraw/zinc/73/17/19/815731719.db2.gz LEQPUTUJTLHVMF-JTQLQIEISA-N -1 3 251.301 2.332 20 10 CECDHM C[C@H]1C[C@H](O)CCN1Cc1c([O-])c(F)ccc1F ZINC001139685893 816078221 /nfs/dbraw/zinc/07/82/21/816078221.db2.gz DHJFFNCNIHIWOK-DTWKUNHWSA-N -1 3 257.280 2.016 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CCCC[C@@H]1CO ZINC001139685694 816082054 /nfs/dbraw/zinc/08/20/54/816082054.db2.gz TXAIEYNPYLODBO-SECBINFHSA-N -1 3 257.280 2.017 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CCCC[C@@H](O)C1 ZINC001139685644 816082092 /nfs/dbraw/zinc/08/20/92/816082092.db2.gz RGXLPTHRKZBNFZ-SECBINFHSA-N -1 3 257.280 2.017 20 10 CECDHM O=C1CC[C@@]2(CCCN(Cc3c(F)ccc(F)c3[O-])C2)O1 ZINC001139686910 816083281 /nfs/dbraw/zinc/08/32/81/816083281.db2.gz IEGQONYVKITIJS-OAHLLOKOSA-N -1 3 297.301 2.342 20 10 CECDHM O=C1CC[C@]2(CCCN(Cc3c(F)ccc(F)c3[O-])C2)O1 ZINC001139686906 816083889 /nfs/dbraw/zinc/08/38/89/816083889.db2.gz IEGQONYVKITIJS-HNNXBMFYSA-N -1 3 297.301 2.342 20 10 CECDHM [O-]c1cccc(Br)c1CN1CCCO1 ZINC001140099121 816189172 /nfs/dbraw/zinc/18/91/72/816189172.db2.gz XWLCBLVYEIUGIU-UHFFFAOYSA-N -1 3 258.115 2.292 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCn2nccc2C1 ZINC001140342399 816237088 /nfs/dbraw/zinc/23/70/88/816237088.db2.gz HTOZXFZRFPUEKG-UHFFFAOYSA-N -1 3 263.728 2.258 20 10 CECDHM O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)c(F)cc1[O-] ZINC001142512962 816678668 /nfs/dbraw/zinc/67/86/68/816678668.db2.gz REWZUOHHADSZET-AOOOYVTPSA-N -1 3 267.275 2.366 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@]2(CCO2)C1 ZINC001142524998 816681508 /nfs/dbraw/zinc/68/15/08/816681508.db2.gz SOZHQMRNRCPGGW-AWEZNQCLSA-N -1 3 269.291 2.425 20 10 CECDHM COc1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001178410076 816742251 /nfs/dbraw/zinc/74/22/51/816742251.db2.gz LFDLRHLNOCXWPR-UHFFFAOYSA-N -1 3 275.279 2.470 20 10 CECDHM Cc1cc(Br)cc(CN2CCN(C)CC2)c1[O-] ZINC000124494042 365653884 /nfs/dbraw/zinc/65/38/84/365653884.db2.gz OOYMMQWFSYMLND-UHFFFAOYSA-N -1 3 299.212 2.211 20 10 CECDHM CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CCO1 ZINC000037323497 361903651 /nfs/dbraw/zinc/90/36/51/361903651.db2.gz QAFYVDCFSZNTKI-CYBMUJFWSA-N -1 3 281.327 2.345 20 10 CECDHM Cc1nn(C)c(Cl)c1CNCc1ccccc1[O-] ZINC000134236468 366300690 /nfs/dbraw/zinc/30/06/90/366300690.db2.gz HYKRFQNFVMLLIR-UHFFFAOYSA-N -1 3 265.744 2.377 20 10 CECDHM CN(CC(=O)N(C)Cc1ccco1)Cc1ccccc1[O-] ZINC000114721360 364959264 /nfs/dbraw/zinc/95/92/64/364959264.db2.gz XGNJMUZSNKSWTM-UHFFFAOYSA-N -1 3 288.347 2.076 20 10 CECDHM COC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000179661205 368346660 /nfs/dbraw/zinc/34/66/60/368346660.db2.gz LYTAYDOFWOLUQP-LBPRGKRZSA-N -1 3 283.755 2.491 20 10 CECDHM CC(=O)c1cc(F)cc(CN2[C@H](C)CC(O)C[C@@H]2C)c1[O-] ZINC000191281785 369698148 /nfs/dbraw/zinc/69/81/48/369698148.db2.gz PDBJBAVLCVKFJN-XFLKPENQSA-N -1 3 295.354 2.468 20 10 CECDHM O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cccc(O)c1[O-] ZINC000193138732 369898577 /nfs/dbraw/zinc/89/85/77/369898577.db2.gz BVACJAPEVAPUOI-LLVKDONJSA-N -1 3 291.347 2.319 20 10 CECDHM C[C@@H](N[C@H](C)c1cc(Cl)ccc1[O-])C(=O)NCCF ZINC000282791858 296158726 /nfs/dbraw/zinc/15/87/26/296158726.db2.gz QGWQSNNDESBELX-RKDXNWHRSA-N -1 3 288.750 2.170 20 10 CECDHM C[C@@H](C(=O)N1CCCCC1)N(C)Cc1ccccc1[O-] ZINC000269673309 372527726 /nfs/dbraw/zinc/52/77/26/372527726.db2.gz XZUQICANMDLDJA-ZDUSSCGKSA-N -1 3 276.380 2.225 20 10 CECDHM Cc1nc(CCN(C)Cc2c([O-])cccc2Cl)no1 ZINC000271158758 373152425 /nfs/dbraw/zinc/15/24/25/373152425.db2.gz IBRUICLJMDIHKI-UHFFFAOYSA-N -1 3 281.743 2.412 20 10 CECDHM Cc1nc2n(n1)CCN(Cc1cc(Cl)cc(C)c1[O-])C2 ZINC000271800548 373204429 /nfs/dbraw/zinc/20/44/29/373204429.db2.gz KSBKPDKYPNYKCL-UHFFFAOYSA-N -1 3 292.770 2.270 20 10 CECDHM CCCN(C)S(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000271955923 373233165 /nfs/dbraw/zinc/23/31/65/373233165.db2.gz QBYAYVDAZYECBF-UHFFFAOYSA-N -1 3 278.761 2.044 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC=C(Br)C1 ZINC000282127120 375409281 /nfs/dbraw/zinc/40/92/81/375409281.db2.gz BDALKEIOMPNIPM-UHFFFAOYSA-N -1 3 298.136 2.223 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2CSC2(C)C)c([O-])c1O ZINC000283359460 375695651 /nfs/dbraw/zinc/69/56/51/375695651.db2.gz NBHSCZXRQSEEIO-SECBINFHSA-N -1 3 267.350 2.030 20 10 CECDHM CC[C@H](NCC(=O)NCC1CC1)c1ccc(F)cc1[O-] ZINC000285959159 375845596 /nfs/dbraw/zinc/84/55/96/375845596.db2.gz FKFLIXLFNJKGDW-ZDUSSCGKSA-N -1 3 280.343 2.098 20 10 CECDHM CC[C@@H](N[C@@H](C)c1nncn1C)c1ccc(F)cc1[O-] ZINC000286375905 375932796 /nfs/dbraw/zinc/93/27/96/375932796.db2.gz ZUMJPFQEUZUFHG-JOYOIKCWSA-N -1 3 278.331 2.462 20 10 CECDHM CCc1noc(C)c1CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000294055448 377887465 /nfs/dbraw/zinc/88/74/65/377887465.db2.gz QCEAWXROGQOGOC-UHFFFAOYSA-N -1 3 290.319 2.195 20 10 CECDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000373634443 395063668 /nfs/dbraw/zinc/06/36/68/395063668.db2.gz FAWQULBBIYKYFV-BLLLJJGKSA-N -1 3 295.354 2.301 20 10 CECDHM Cc1ccc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)c([O-])c1O ZINC000182509935 395241907 /nfs/dbraw/zinc/24/19/07/395241907.db2.gz GNZJHGVHVIRLIS-PHIMTYICSA-N -1 3 261.321 2.134 20 10 CECDHM CCCCCN(CCO)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182908597 395250329 /nfs/dbraw/zinc/25/03/29/395250329.db2.gz UORPFWHDDOUQKB-UHFFFAOYSA-N -1 3 281.352 2.031 20 10 CECDHM Cc1ccc(C(=O)NC[C@]2(C)CCCC[C@@H]2O)c([O-])c1O ZINC000179535760 395194966 /nfs/dbraw/zinc/19/49/66/395194966.db2.gz XAMGGNAJOYEBEW-LRDDRELGSA-N -1 3 293.363 2.077 20 10 CECDHM Cc1ccc(C(=O)NC[C@@H](CCO)CC(C)C)c([O-])c1O ZINC000179545735 395195259 /nfs/dbraw/zinc/19/52/59/395195259.db2.gz NHHRZYQURJDGKY-LBPRGKRZSA-N -1 3 295.379 2.181 20 10 CECDHM [O-]c1ccccc1CN(Cc1c[nH]cn1)C[C@@H]1CCCO1 ZINC000179570325 395196899 /nfs/dbraw/zinc/19/68/99/395196899.db2.gz WTVXHOAUWAKRDR-HNNXBMFYSA-N -1 3 287.363 2.297 20 10 CECDHM CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CCCO1 ZINC000281561709 287174156 /nfs/dbraw/zinc/17/41/56/287174156.db2.gz KYLLAIAABVILOD-LLVKDONJSA-N -1 3 279.336 2.047 20 10 CECDHM CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000077253444 177241996 /nfs/dbraw/zinc/24/19/96/177241996.db2.gz XGQLRRFLWMVCDP-GFCCVEGCSA-N -1 3 279.336 2.088 20 10 CECDHM CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000077253444 177241997 /nfs/dbraw/zinc/24/19/97/177241997.db2.gz XGQLRRFLWMVCDP-GFCCVEGCSA-N -1 3 279.336 2.088 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)c([O-])c1O ZINC000157083540 261139013 /nfs/dbraw/zinc/13/90/13/261139013.db2.gz ZBDCVCQVWUDBSW-DGCLKSJQSA-N -1 3 291.347 2.094 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2CCOC(C)(C)C2)c([O-])c1O ZINC000163697443 261325926 /nfs/dbraw/zinc/32/59/26/261325926.db2.gz JQHZBYFZONQCAH-SNVBAGLBSA-N -1 3 279.336 2.094 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CC[C@H]3OCC[C@H]3C2)c1[O-] ZINC000368467979 267175292 /nfs/dbraw/zinc/17/52/92/267175292.db2.gz CFDOBZLAKFJWPJ-XHDPSFHLSA-N -1 3 293.338 2.345 20 10 CECDHM [O-]c1c(Cl)cccc1CN1C[C@H](O)C2(CC2)C1 ZINC000368800347 267206709 /nfs/dbraw/zinc/20/67/09/267206709.db2.gz NLNAAKHSVSYBPO-NSHDSACASA-N -1 3 253.729 2.002 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1CCOC[C@@H]1c1ncon1 ZINC000377704657 329026020 /nfs/dbraw/zinc/02/60/20/329026020.db2.gz XQHNIFPSJHZBCN-QWHCGFSZSA-N -1 3 289.335 2.300 20 10 CECDHM CCOC(=O)[C@H](CC)N(C)Cc1ccccc1[O-] ZINC000072629598 521235329 /nfs/dbraw/zinc/23/53/29/521235329.db2.gz VGXVHQQVLZGKNA-LBPRGKRZSA-N -1 3 251.326 2.166 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](O)C2)c1[O-] ZINC000050152798 518280196 /nfs/dbraw/zinc/28/01/96/518280196.db2.gz DOPIHYGCZPKYAM-LBPRGKRZSA-N -1 3 283.755 2.205 20 10 CECDHM CC(C)C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000279800897 519279013 /nfs/dbraw/zinc/27/90/13/519279013.db2.gz JSRXZQFCXUNGMN-VXGBXAGGSA-N -1 3 293.363 2.421 20 10 CECDHM COc1c([O-])c(CN2CCSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278232079 521869039 /nfs/dbraw/zinc/86/90/39/521869039.db2.gz MYKUWKLQIMXZOW-VIFPVBQESA-N -1 3 298.364 2.246 20 10 CECDHM CC[C@H](N[C@H](C)c1ncnn1C)c1ccccc1[O-] ZINC000276696460 522745392 /nfs/dbraw/zinc/74/53/92/522745392.db2.gz VHQVQCAZWHKUFU-PWSUYJOCSA-N -1 3 260.341 2.323 20 10 CECDHM CO[C@@H](C)CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289944830 523405617 /nfs/dbraw/zinc/40/56/17/523405617.db2.gz XIDVHJBIPPVPIX-QMMMGPOBSA-N -1 3 288.731 2.421 20 10 CECDHM Cc1ccc([C@@H](C)N[C@@H](C)c2ncnn2C)c([O-])c1 ZINC000276696575 525743111 /nfs/dbraw/zinc/74/31/11/525743111.db2.gz VJSYLONPISXSBX-MNOVXSKESA-N -1 3 260.341 2.241 20 10 CECDHM C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739715759 574508322 /nfs/dbraw/zinc/50/83/22/574508322.db2.gz QORBASKDUAXEGJ-LBPRGKRZSA-N -1 3 278.352 2.214 20 10 CECDHM C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739715759 574508323 /nfs/dbraw/zinc/50/83/23/574508323.db2.gz QORBASKDUAXEGJ-LBPRGKRZSA-N -1 3 278.352 2.214 20 10 CECDHM C[C@H]1c2cccn2CCN1C(=O)c1cc([O-])cs1 ZINC000731868147 574604855 /nfs/dbraw/zinc/60/48/55/574604855.db2.gz NUBMXCQIDKKAKB-VIFPVBQESA-N -1 3 262.334 2.472 20 10 CECDHM O=C(Nc1ccc2c(c1)NC(=O)CO2)c1cc([O-])cs1 ZINC000731866381 574605062 /nfs/dbraw/zinc/60/50/62/574605062.db2.gz GXXTVHYBGBKJNM-UHFFFAOYSA-N -1 3 290.300 2.037 20 10 CECDHM C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cc([O-])cs2)C1 ZINC000731910757 574605574 /nfs/dbraw/zinc/60/55/74/574605574.db2.gz BVAAVTRBXRFYDR-NXEZZACHSA-N -1 3 297.376 2.115 20 10 CECDHM COC(=O)c1occc1COC(=O)c1cc([O-])cs1 ZINC000731909678 574605764 /nfs/dbraw/zinc/60/57/64/574605764.db2.gz IXYROPKCYTXNAW-UHFFFAOYSA-N -1 3 282.273 2.190 20 10 CECDHM COc1nc(C)cc(C)c1CNC(=O)c1cc([O-])cs1 ZINC000732284755 574617842 /nfs/dbraw/zinc/61/78/42/574617842.db2.gz ZWHXDRQUMDCRFS-UHFFFAOYSA-N -1 3 292.360 2.404 20 10 CECDHM Cn1cnnc1CN(Cc1ccccc1[O-])C1CCCC1 ZINC000732204079 574614847 /nfs/dbraw/zinc/61/48/47/574614847.db2.gz BQXWZRZTGRTCED-UHFFFAOYSA-N -1 3 286.379 2.466 20 10 CECDHM CC(C)c1cc(CNC(=O)c2cc([O-])cs2)on1 ZINC000734026212 574697454 /nfs/dbraw/zinc/69/74/54/574697454.db2.gz QWIPXOIVDKWXAQ-UHFFFAOYSA-N -1 3 266.322 2.495 20 10 CECDHM COc1cc(CCNC(=O)c2cc([O-])cs2)ccc1O ZINC000734175173 574703428 /nfs/dbraw/zinc/70/34/28/574703428.db2.gz QTQOMBVDHAMXMR-UHFFFAOYSA-N -1 3 293.344 2.140 20 10 CECDHM CS[C@@H]1CC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000743729396 575109188 /nfs/dbraw/zinc/10/91/88/575109188.db2.gz ZNOMKMHAWVCANX-VXNVDRBHSA-N -1 3 257.380 2.468 20 10 CECDHM O=C(NCCNc1ccccc1)c1cc([O-])cs1 ZINC000743461349 575104593 /nfs/dbraw/zinc/10/45/93/575104593.db2.gz SJDXRKSFOOMMFV-UHFFFAOYSA-N -1 3 262.334 2.296 20 10 CECDHM CCCc1cc(NC(=O)c2ccc(C)c(O)c2[O-])n[nH]1 ZINC000177683709 623218857 /nfs/dbraw/zinc/21/88/57/623218857.db2.gz ZKXGKIKHLITGAF-UHFFFAOYSA-N -1 3 275.308 2.334 20 10 CECDHM CCCn1cc(NC(=O)c2ccc(C)c(O)c2[O-])cn1 ZINC000177687696 625822867 /nfs/dbraw/zinc/82/28/67/625822867.db2.gz OQAAMHJRQUQLEP-UHFFFAOYSA-N -1 3 275.308 2.265 20 10 CECDHM CC(C)n1ccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000311411809 627659940 /nfs/dbraw/zinc/65/99/40/627659940.db2.gz AZJSGKCBMZMXFV-UHFFFAOYSA-N -1 3 261.281 2.128 20 10 CECDHM CCN(Cc1cc(F)cc(F)c1[O-])C[C@@H](O)C(F)(F)F ZINC000894494040 629495498 /nfs/dbraw/zinc/49/54/98/629495498.db2.gz LOMLRBGWCFTJSM-SNVBAGLBSA-N -1 3 299.239 2.416 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CCCc2n[nH]cc2C1 ZINC000895363505 630139634 /nfs/dbraw/zinc/13/96/34/630139634.db2.gz DVHNPCUXCPIZAV-UHFFFAOYSA-N -1 3 279.290 2.342 20 10 CECDHM Cc1nn(C)c(NCc2c([O-])cccc2F)c1[N+](=O)[O-] ZINC000895837501 630372776 /nfs/dbraw/zinc/37/27/76/630372776.db2.gz LXOBCQNSDNHYRO-UHFFFAOYSA-N -1 3 280.259 2.094 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CC[C@](O)(C(F)F)C1 ZINC000824726811 635486448 /nfs/dbraw/zinc/48/64/48/635486448.db2.gz VEMPGLMSLQDNPB-GFCCVEGCSA-N -1 3 277.698 2.248 20 10 CECDHM C[C@H](Nc1cnn(CCO)c1)c1ccc(Cl)cc1[O-] ZINC000841749411 631649480 /nfs/dbraw/zinc/64/94/80/631649480.db2.gz DTWDQFFOQWPXGF-VIFPVBQESA-N -1 3 281.743 2.408 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@@H](O)[C@H](F)C2)cc1Cl ZINC000898187330 632101188 /nfs/dbraw/zinc/10/11/88/632101188.db2.gz FFVNTXIVCLNDAZ-VXGBXAGGSA-N -1 3 273.735 2.259 20 10 CECDHM C[C@H]1C[C@H](O)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816589427 633418677 /nfs/dbraw/zinc/41/86/77/633418677.db2.gz XZTQOGJHLMCUMH-CBAPKCEASA-N -1 3 259.708 2.140 20 10 CECDHM O=C(NCc1c(F)cc(F)cc1F)c1cccc(O)c1[O-] ZINC000818516781 633935706 /nfs/dbraw/zinc/93/57/06/633935706.db2.gz HSMAJBCZBVSFAB-UHFFFAOYSA-N -1 3 297.232 2.445 20 10 CECDHM Cc1cc([O-])c(CN2CCCC[C@H]2C(N)=O)cc1Cl ZINC000824523268 635441136 /nfs/dbraw/zinc/44/11/36/635441136.db2.gz XFLUNUHCDWZLKV-LBPRGKRZSA-N -1 3 282.771 2.194 20 10 CECDHM CCOCCN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000127391719 651201533 /nfs/dbraw/zinc/20/15/33/651201533.db2.gz MAYUTMZNFAXVCL-UHFFFAOYSA-N -1 3 269.316 2.202 20 10 CECDHM CCOC(=O)[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876510088 650295759 /nfs/dbraw/zinc/29/57/59/650295759.db2.gz OJHFEQDCFJASBK-NSHDSACASA-N -1 3 299.317 2.446 20 10 CECDHM O=C(NCCc1ccccc1)c1cccc(O)c1[O-] ZINC000126220189 650475438 /nfs/dbraw/zinc/47/54/38/650475438.db2.gz QEPZNESNGFONRA-UHFFFAOYSA-N -1 3 257.289 2.070 20 10 CECDHM CS[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000229412875 639698114 /nfs/dbraw/zinc/69/81/14/639698114.db2.gz MXWKXWUKBGCNCJ-BDAKNGLRSA-N -1 3 267.350 2.112 20 10 CECDHM C[C@@H](NCc1cn(C)nn1)c1ccc(Cl)cc1[O-] ZINC000841754409 639859060 /nfs/dbraw/zinc/85/90/60/639859060.db2.gz QXVZHGNXTWNLAZ-MRVPVSSYSA-N -1 3 266.732 2.025 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NCC1CCC1 ZINC000914206564 640273418 /nfs/dbraw/zinc/27/34/18/640273418.db2.gz RZDTUDOOOWOSDH-UHFFFAOYSA-N -1 3 252.289 2.131 20 10 CECDHM CN(C)c1cccc(CNCc2ccc(F)c(F)c2[O-])n1 ZINC000877117704 650580098 /nfs/dbraw/zinc/58/00/98/650580098.db2.gz PZYQCGKQVLBTMV-UHFFFAOYSA-N -1 3 293.317 2.421 20 10 CECDHM C[C@H]1CC2(CN1C(=O)c1cccc(O)c1[O-])CCOCC2 ZINC000844092662 640604570 /nfs/dbraw/zinc/60/45/70/640604570.db2.gz CONIOCJAMHPAHH-NSHDSACASA-N -1 3 291.347 2.129 20 10 CECDHM O=C(NCC1CCC(F)CC1)c1cccc(O)c1[O-] ZINC000844095896 640605455 /nfs/dbraw/zinc/60/54/55/640605455.db2.gz AYOOESAAOLKVII-UHFFFAOYSA-N -1 3 267.300 2.356 20 10 CECDHM O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1cccc(O)c1[O-] ZINC000847136520 641581535 /nfs/dbraw/zinc/58/15/35/641581535.db2.gz MPFFZAKIMFHBMS-AAEUAGOBSA-N -1 3 284.315 2.026 20 10 CECDHM C[C@@H]1[C@@H](C)N(Cc2ccc(F)c(F)c2[O-])CCN1C ZINC000877409259 650710840 /nfs/dbraw/zinc/71/08/40/650710840.db2.gz ONXPVPDQPZDQQE-NXEZZACHSA-N -1 3 270.323 2.195 20 10 CECDHM CO[C@@H]1CCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000921804465 642653657 /nfs/dbraw/zinc/65/36/57/642653657.db2.gz KSTMBIPJRDBUQC-IINYFYTJSA-N -1 3 296.342 2.146 20 10 CECDHM CC1(C)CC[C@@H](CNC(=O)NCc2c([O-])cccc2F)O1 ZINC000922091017 642875118 /nfs/dbraw/zinc/87/51/18/642875118.db2.gz DKVOGNFLTRHYNK-JTQLQIEISA-N -1 3 296.342 2.288 20 10 CECDHM CCC(O)(CC)CCNC(=O)NCc1c([O-])cccc1F ZINC000922149334 642906870 /nfs/dbraw/zinc/90/68/70/642906870.db2.gz RRDAKIPWUDNVED-UHFFFAOYSA-N -1 3 298.358 2.272 20 10 CECDHM C[C@H](c1cccnc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000187031423 643430875 /nfs/dbraw/zinc/43/08/75/643430875.db2.gz JZNCQHSHWOZMOY-SNVBAGLBSA-N -1 3 272.304 2.326 20 10 CECDHM O=C([O-])[C@H](C[NH2+]Cc1cc(F)ccc1[O-])C1CCC1 ZINC000854245533 644022432 /nfs/dbraw/zinc/02/24/32/644022432.db2.gz BIXKPCNNCHUPKG-GFCCVEGCSA-N -1 3 267.300 2.122 20 10 CECDHM Cc1noc(C2CN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000839130637 644168404 /nfs/dbraw/zinc/16/84/04/644168404.db2.gz DPJMDVKHJXTIGQ-UHFFFAOYSA-N -1 3 279.727 2.336 20 10 CECDHM O=C(Nc1ccnn1C1CCC1)c1cccc(O)c1[O-] ZINC000890359735 644323224 /nfs/dbraw/zinc/32/32/24/644323224.db2.gz VUFWHAHCIYBFGE-UHFFFAOYSA-N -1 3 273.292 2.272 20 10 CECDHM CO[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@@H]1OC ZINC000754153940 644331575 /nfs/dbraw/zinc/33/15/75/644331575.db2.gz KQHCTYCGIWZEBL-TXEJJXNPSA-N -1 3 289.734 2.030 20 10 CECDHM CO[C@H](CNC(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC000856224635 644609400 /nfs/dbraw/zinc/60/94/00/644609400.db2.gz HPHJZVVPSLAVNY-CQSZACIVSA-N -1 3 293.363 2.423 20 10 CECDHM C[C@@H](NCc1nccn1C)c1cc(F)cc(F)c1[O-] ZINC000756539716 644660981 /nfs/dbraw/zinc/66/09/81/644660981.db2.gz SIKLBMXVPVUUFF-MRVPVSSYSA-N -1 3 267.279 2.255 20 10 CECDHM C[C@H](NCc1cn(C)nn1)c1cc(Cl)ccc1[O-] ZINC000757655181 644831457 /nfs/dbraw/zinc/83/14/57/644831457.db2.gz HZQUPEJNUDUGPH-QMMMGPOBSA-N -1 3 266.732 2.025 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCc2c[nH]nc2C1 ZINC000769468812 646274218 /nfs/dbraw/zinc/27/42/18/646274218.db2.gz OPQIJKSMRFQQOY-UHFFFAOYSA-N -1 3 263.728 2.327 20 10 CECDHM COc1nn(C)cc1NCc1c([O-])cccc1Cl ZINC000788971520 648239309 /nfs/dbraw/zinc/23/93/09/648239309.db2.gz KBMVLOSPFDAXOW-UHFFFAOYSA-N -1 3 267.716 2.400 20 10 CECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])CN1CC1CC1 ZINC000789776461 648341638 /nfs/dbraw/zinc/34/16/38/648341638.db2.gz QALOAYOJIMZYGB-UHFFFAOYSA-N -1 3 280.755 2.057 20 10 CECDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])[C@@H]1CCCCO1 ZINC000790876637 648457457 /nfs/dbraw/zinc/45/74/57/648457457.db2.gz JHSSWNCQYWJQMU-ZDUSSCGKSA-N -1 3 293.363 2.423 20 10 CECDHM CC(C)Cc1ncc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000792622012 648660647 /nfs/dbraw/zinc/66/06/47/648660647.db2.gz XUXADUYRQCVDBL-UHFFFAOYSA-N -1 3 287.319 2.339 20 10 CECDHM CCn1nccc1CNCc1cc(F)cc(F)c1[O-] ZINC000883182490 652391746 /nfs/dbraw/zinc/39/17/46/652391746.db2.gz CYWZNINYNMJYKR-UHFFFAOYSA-N -1 3 267.279 2.177 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC001142509111 806609641 /nfs/dbraw/zinc/60/96/41/806609641.db2.gz XCQJFZRCZRRXOW-NSHDSACASA-N -1 3 297.223 2.170 20 10 CECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000922236311 809072910 /nfs/dbraw/zinc/07/29/10/809072910.db2.gz GTQWYFHSKZLPJR-YFKFIEJBSA-N -1 3 264.300 2.129 20 10 CECDHM O=C(c1cccc(O)c1[O-])N(CC(F)(F)F)C1CC1 ZINC000126344900 807925416 /nfs/dbraw/zinc/92/54/16/807925416.db2.gz UQRIWDMGPOBWFJ-UHFFFAOYSA-N -1 3 275.226 2.265 20 10 CECDHM CC(F)(F)CCCNC(=O)c1cccc(O)c1[O-] ZINC000390372130 813263511 /nfs/dbraw/zinc/26/35/11/813263511.db2.gz JGKDIMMIAZTLDZ-UHFFFAOYSA-N -1 3 259.252 2.263 20 10 CECDHM Cc1cc(F)ncc1NC(=O)c1cccc(O)c1[O-] ZINC001148213139 814537872 /nfs/dbraw/zinc/53/78/72/814537872.db2.gz XKHAPPINLBFMTD-UHFFFAOYSA-N -1 3 262.240 2.193 20 10 CECDHM CCc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)c(O)c1 ZINC001148586131 814591624 /nfs/dbraw/zinc/59/16/24/814591624.db2.gz KFXJDXUIEUYFHR-UHFFFAOYSA-N -1 3 289.287 2.324 20 10 CECDHM [O-]c1cccc(F)c1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC001137832672 815691508 /nfs/dbraw/zinc/69/15/08/815691508.db2.gz DAFGVVOHWMVTNQ-NSHDSACASA-N -1 3 279.233 2.030 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@]2(CCOC2)C1 ZINC001140463244 816260978 /nfs/dbraw/zinc/26/09/78/816260978.db2.gz XPNCACGEWCJMPC-AWEZNQCLSA-N -1 3 283.755 2.037 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCCC[C@H]1CO ZINC001140579936 816288980 /nfs/dbraw/zinc/28/89/80/816288980.db2.gz NCKYOYLNUIINSK-JTQLQIEISA-N -1 3 257.280 2.017 20 10 CECDHM C[C@H]1CC[C@H](CO)CN1Cc1c([O-])cc(F)cc1F ZINC001140582065 816290548 /nfs/dbraw/zinc/29/05/48/816290548.db2.gz BDSCGPRTSVUOQL-UWVGGRQHSA-N -1 3 271.307 2.263 20 10 CECDHM CCOC(=O)[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524747 816679164 /nfs/dbraw/zinc/67/91/64/816679164.db2.gz IZONQVXUAYIPQE-SNVBAGLBSA-N -1 3 299.317 2.446 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@H](n2cncn2)C1 ZINC001142524807 816681224 /nfs/dbraw/zinc/68/12/24/816681224.db2.gz LJWLKKVNKPDLOC-NSHDSACASA-N -1 3 294.305 2.099 20 10 CECDHM CC(=O)[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531481 816682554 /nfs/dbraw/zinc/68/25/54/816682554.db2.gz YOQRBJXUTJZCSK-VIFPVBQESA-N -1 3 255.264 2.081 20 10 CECDHM CCN(Cc1cnn(C)c1)Cc1cc(F)ccc1[O-] ZINC000179978384 368361466 /nfs/dbraw/zinc/36/14/66/368361466.db2.gz HQRWRMSWDCHXFE-UHFFFAOYSA-N -1 3 263.316 2.287 20 10 CECDHM O=C(N[C@@H](CCO)C1CCCCC1)c1cccc(O)c1[O-] ZINC000187207364 369122595 /nfs/dbraw/zinc/12/25/95/369122595.db2.gz JSLVEGQQVHCZLV-ZDUSSCGKSA-N -1 3 293.363 2.159 20 10 CECDHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2ccccc2O)n1 ZINC000192669580 369841542 /nfs/dbraw/zinc/84/15/42/369841542.db2.gz ZXOBPHFZFKECAJ-NSHDSACASA-N -1 3 273.336 2.389 20 10 CECDHM CN(C(=O)/C=C\c1cncc([O-])c1)c1ccccc1 ZINC000254971820 371544957 /nfs/dbraw/zinc/54/49/57/371544957.db2.gz HMYMLYDZWLUIRN-FPLPWBNLSA-N -1 3 254.289 2.463 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000269865258 372582768 /nfs/dbraw/zinc/58/27/68/372582768.db2.gz XAEDWTJQQPEQQD-IINYFYTJSA-N -1 3 295.354 2.469 20 10 CECDHM Cc1ccc(C(=O)N2CCC=C(F)C2)c([O-])c1O ZINC000272957554 373732964 /nfs/dbraw/zinc/73/29/64/373732964.db2.gz JDGNFFLTGUPTDA-UHFFFAOYSA-N -1 3 251.257 2.106 20 10 CECDHM CC(C)[C@H](NCc1ccccc1[O-])c1nncn1C ZINC000285517408 375840683 /nfs/dbraw/zinc/84/06/83/375840683.db2.gz OAAGFPCYIWSBFV-ZDUSSCGKSA-N -1 3 260.341 2.008 20 10 CECDHM CN(C)C(=O)O[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000295122741 378042658 /nfs/dbraw/zinc/04/26/58/378042658.db2.gz NLIPYOLMIJBKPB-NSHDSACASA-N -1 3 298.770 2.318 20 10 CECDHM CCCN(CCS(=O)(=O)CC)Cc1ccccc1[O-] ZINC000118396340 394760369 /nfs/dbraw/zinc/76/03/69/394760369.db2.gz YLVGQDNMIAEKTO-UHFFFAOYSA-N -1 3 285.409 2.039 20 10 CECDHM COC(=O)CN(Cc1cc(Cl)cc(C)c1[O-])C1CC1 ZINC000271753560 394763559 /nfs/dbraw/zinc/76/35/59/394763559.db2.gz CKOHMDLZLHPEPB-UHFFFAOYSA-N -1 3 283.755 2.491 20 10 CECDHM O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000373752172 395065644 /nfs/dbraw/zinc/06/56/44/395065644.db2.gz VQYBIOAJZRSSJX-KGLIPLIRSA-N -1 3 293.338 2.101 20 10 CECDHM CCOC(=O)C(C)(C)NCc1cc(F)cc(C(C)=O)c1[O-] ZINC000175683078 395134021 /nfs/dbraw/zinc/13/40/21/395134021.db2.gz TXWNXWNODMTNDV-UHFFFAOYSA-N -1 3 297.326 2.165 20 10 CECDHM Cc1cc(Cl)cc(CN2CCN(C)CC2)c1[O-] ZINC000183369234 395255456 /nfs/dbraw/zinc/25/54/56/395255456.db2.gz UCVLVKOJXYUWHC-UHFFFAOYSA-N -1 3 254.761 2.101 20 10 CECDHM CC(=O)NC[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000183379395 395256269 /nfs/dbraw/zinc/25/62/69/395256269.db2.gz GOVINMVGHUJOMD-LBPRGKRZSA-N -1 3 296.798 2.394 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCOC(C)(C)C2)c1[O-] ZINC000037328958 173129773 /nfs/dbraw/zinc/12/97/73/173129773.db2.gz KKLWUDBBIKJFAJ-UHFFFAOYSA-N -1 3 281.327 2.345 20 10 CECDHM CCSCC[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126566014 264216293 /nfs/dbraw/zinc/21/62/93/264216293.db2.gz MIGFOMYVNOFINC-SECBINFHSA-N -1 3 269.366 2.359 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@](F)(CO)C1 ZINC000368034581 267139053 /nfs/dbraw/zinc/13/90/53/267139053.db2.gz BTOKGHPJMBQQFA-ZDUSSCGKSA-N -1 3 273.735 2.342 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1CCS(=O)(=O)CC[C@@H]1C ZINC000368037443 267139909 /nfs/dbraw/zinc/13/99/09/267139909.db2.gz MXDOUGVERNGSHZ-JSGCOSHPSA-N -1 3 297.420 2.352 20 10 CECDHM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cccc(Cl)c1[O-] ZINC000368974801 267215051 /nfs/dbraw/zinc/21/50/51/267215051.db2.gz PEHTXSIPDAVFJP-XWIASGKRSA-N -1 3 294.782 2.131 20 10 CECDHM C[C@H]1N(C(=O)c2cccc(O)c2[O-])CCC12CCOCC2 ZINC000369293970 267231873 /nfs/dbraw/zinc/23/18/73/267231873.db2.gz NVXCMVQJSBFMBJ-LLVKDONJSA-N -1 3 291.347 2.129 20 10 CECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C(C)C ZINC000272278404 328199400 /nfs/dbraw/zinc/19/94/00/328199400.db2.gz SWRJPGUKBBKWGZ-UHFFFAOYSA-N -1 3 299.754 2.203 20 10 CECDHM CCn1ncc(CN[C@H]2C[C@H](C)c3c2c([O-])ccc3F)n1 ZINC000527922427 330295938 /nfs/dbraw/zinc/29/59/38/330295938.db2.gz GIGFOFMCJJMEQM-CABZTGNLSA-N -1 3 290.342 2.481 20 10 CECDHM CCCOc1ccc(CN[C@H](C)c2ncnn2C)c([O-])c1 ZINC000276770641 520374649 /nfs/dbraw/zinc/37/46/49/520374649.db2.gz VUQFSFFLAQFWCE-LLVKDONJSA-N -1 3 290.367 2.160 20 10 CECDHM CCC[C@@]1(C)C(=O)NCCN1Cc1cccc(F)c1[O-] ZINC000276064751 520948744 /nfs/dbraw/zinc/94/87/44/520948744.db2.gz VPDPIMVFAXVJRY-HNNXBMFYSA-N -1 3 280.343 2.022 20 10 CECDHM COC(=O)[C@@H](C)N(C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000280451164 523524533 /nfs/dbraw/zinc/52/45/33/523524533.db2.gz DLXOJMJEKVSYML-MRVPVSSYSA-N -1 3 287.743 2.048 20 10 CECDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280331017 524609702 /nfs/dbraw/zinc/60/97/02/524609702.db2.gz RELRTFUZPIUTKB-XHDPSFHLSA-N -1 3 297.782 2.425 20 10 CECDHM Cc1cc(Cl)cc(CN[C@H](C)c2ncnn2C)c1[O-] ZINC000276537607 524874282 /nfs/dbraw/zinc/87/42/82/524874282.db2.gz XFTPGPKUHFYNSR-SECBINFHSA-N -1 3 280.759 2.333 20 10 CECDHM Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C3CC3)C2)c([O-])c1O ZINC000279590384 526135531 /nfs/dbraw/zinc/13/55/31/526135531.db2.gz APEJMQNADILVOF-MFKMUULPSA-N -1 3 291.347 2.046 20 10 CECDHM C[C@H](c1nc(N)nc(Cl)n1)N(C)Cc1ccccc1[O-] ZINC000289482990 526176242 /nfs/dbraw/zinc/17/62/42/526176242.db2.gz BUDQKIBVMKUNPX-MRVPVSSYSA-N -1 3 293.758 2.006 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCC2(CC1)OCCO2 ZINC000126111355 526364117 /nfs/dbraw/zinc/36/41/17/526364117.db2.gz XMKJCFDQDXEUSV-UHFFFAOYSA-N -1 3 283.755 2.385 20 10 CECDHM CC(C)c1nnc(COC(=O)c2cc([O-])cs2)o1 ZINC000732353778 574619565 /nfs/dbraw/zinc/61/95/65/574619565.db2.gz VFEBMCRGQXRPGW-UHFFFAOYSA-N -1 3 268.294 2.317 20 10 CECDHM O=C(OCc1nc(-c2ccco2)no1)c1cc([O-])cs1 ZINC000732354241 574619768 /nfs/dbraw/zinc/61/97/68/574619768.db2.gz QFOUGTNGEUABJC-UHFFFAOYSA-N -1 3 292.272 2.454 20 10 CECDHM CCOC[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000733807009 574687414 /nfs/dbraw/zinc/68/74/14/574687414.db2.gz QKAHTQBQJHFPIN-SNVBAGLBSA-N -1 3 269.366 2.342 20 10 CECDHM CCN(CC)c1ccc(CNCCN(C)C(=O)[O-])cc1F ZINC000739413783 574916965 /nfs/dbraw/zinc/91/69/65/574916965.db2.gz JJUCNHZVRZZPCK-UHFFFAOYSA-N -1 3 297.374 2.371 20 10 CECDHM O=C(Nc1ccn(CC(F)(F)F)n1)c1cc([O-])cs1 ZINC000746300271 575154073 /nfs/dbraw/zinc/15/40/73/575154073.db2.gz BPOVOUWXUPSQFY-UHFFFAOYSA-N -1 3 291.254 2.465 20 10 CECDHM Cc1ccc(C(=O)N(C)Cc2ccccn2)c([O-])c1O ZINC000751533736 575291441 /nfs/dbraw/zinc/29/14/41/575291441.db2.gz CBZRJMQWRKTMOF-UHFFFAOYSA-N -1 3 272.304 2.073 20 10 CECDHM CC(C)[N@H+](CCC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000232635166 605480046 /nfs/dbraw/zinc/48/00/46/605480046.db2.gz CWQKYSVZUBAPNW-UHFFFAOYSA-N -1 3 255.289 2.216 20 10 CECDHM CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(F)ccc1[O-] ZINC000232635166 605480048 /nfs/dbraw/zinc/48/00/48/605480048.db2.gz CWQKYSVZUBAPNW-UHFFFAOYSA-N -1 3 255.289 2.216 20 10 CECDHM CCN(CC(=O)NCc1cccc(Cl)c1[O-])C1CC1 ZINC000890759612 622931458 /nfs/dbraw/zinc/93/14/58/622931458.db2.gz DVUPJDOZYGGJKU-UHFFFAOYSA-N -1 3 282.771 2.146 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@H](n2ccnn2)C1 ZINC000895053701 629827165 /nfs/dbraw/zinc/82/71/65/629827165.db2.gz SGFOYIFBXGRSCW-LBPRGKRZSA-N -1 3 294.305 2.099 20 10 CECDHM CC[C@H](NCc1nnnn1C1CC1)c1ccc(F)cc1[O-] ZINC000796817712 630021029 /nfs/dbraw/zinc/02/10/29/630021029.db2.gz KFUXDPMOCKYQMM-LBPRGKRZSA-N -1 3 291.330 2.094 20 10 CECDHM CC[C@H](Nc1cnn(CCO)c1)c1ccc(F)cc1[O-] ZINC000796893306 630056962 /nfs/dbraw/zinc/05/69/62/630056962.db2.gz QUGRLTVWCIIRPB-ZDUSSCGKSA-N -1 3 279.315 2.283 20 10 CECDHM Cc1cn(C(C)(C)C(=O)NCc2c([O-])cccc2F)cn1 ZINC000928712792 631131053 /nfs/dbraw/zinc/13/10/53/631131053.db2.gz VAZQEEAZXJPAMP-UHFFFAOYSA-N -1 3 291.326 2.088 20 10 CECDHM O=C(NC[C@H]1COc2ccccc21)c1cccc(O)c1[O-] ZINC000811562648 632400822 /nfs/dbraw/zinc/40/08/22/632400822.db2.gz IRYPHRXGEFLSPZ-JTQLQIEISA-N -1 3 285.299 2.004 20 10 CECDHM CCn1c(NC(=O)c2cccc(O)c2[O-])nc2cccnc21 ZINC000817181529 633595838 /nfs/dbraw/zinc/59/58/38/633595838.db2.gz UVHKDVPBIFCTLI-UHFFFAOYSA-N -1 3 298.302 2.115 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1CC1CCC1 ZINC000819306754 634133947 /nfs/dbraw/zinc/13/39/47/634133947.db2.gz LDOZBEIRBPFVQM-LBPRGKRZSA-N -1 3 291.347 2.129 20 10 CECDHM C[C@@H]1[C@H](O)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000825104268 635569961 /nfs/dbraw/zinc/56/99/61/635569961.db2.gz SGIVGESNUXIYNX-RDDDGLTNSA-N -1 3 259.708 2.140 20 10 CECDHM COC(=O)C(C)(C)NCc1cc(Cl)c(C)cc1[O-] ZINC000825406192 635632222 /nfs/dbraw/zinc/63/22/22/635632222.db2.gz PIEAHCXHVVKASJ-UHFFFAOYSA-N -1 3 271.744 2.395 20 10 CECDHM Cc1nc(CN(C)Cc2cc(Cl)ccc2[O-])no1 ZINC000827891521 636453559 /nfs/dbraw/zinc/45/35/59/636453559.db2.gz KVXCBZUQSMPBOQ-UHFFFAOYSA-N -1 3 267.716 2.369 20 10 CECDHM O=C(NCc1c([O-])cccc1F)[C@]12CCO[C@H]1CCCC2 ZINC000830179685 637000838 /nfs/dbraw/zinc/00/08/38/637000838.db2.gz BRSGATLYQVTAEB-GOEBONIOSA-N -1 3 293.338 2.497 20 10 CECDHM [O-]c1c(CN2CCN(C3CCC3)CC2)ccc(F)c1F ZINC000876734273 650413632 /nfs/dbraw/zinc/41/36/32/650413632.db2.gz QWGNEFIXUUQMST-UHFFFAOYSA-N -1 3 282.334 2.341 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@H](C)C[C@@H]2C(N)=O)c(Cl)c1 ZINC000840939259 639594008 /nfs/dbraw/zinc/59/40/08/639594008.db2.gz LRCYKKIQUVKECI-TVQRCGJNSA-N -1 3 296.798 2.440 20 10 CECDHM C[C@H]1C(=O)N(C)CN1Cc1c([O-])ccc2ccccc21 ZINC000842639109 640129796 /nfs/dbraw/zinc/12/97/96/640129796.db2.gz CBYCGNZOCPPRQY-NSHDSACASA-N -1 3 270.332 2.165 20 10 CECDHM CCOCCCCNC(=O)NCc1c([O-])cccc1F ZINC000914240701 640285332 /nfs/dbraw/zinc/28/53/32/640285332.db2.gz RBAHHOMHUFKWCG-UHFFFAOYSA-N -1 3 284.331 2.147 20 10 CECDHM Cc1cncc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000182570304 641677450 /nfs/dbraw/zinc/67/74/50/641677450.db2.gz SOWWEEMRSAFTRN-UHFFFAOYSA-N -1 3 258.277 2.362 20 10 CECDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])c(C)n1 ZINC000185846147 642040517 /nfs/dbraw/zinc/04/05/17/642040517.db2.gz VDEVMQKKJOLIPE-UHFFFAOYSA-N -1 3 274.276 2.062 20 10 CECDHM CC[C@H](CSC)N(C)C(=O)c1cccc(O)c1[O-] ZINC000126523392 650726921 /nfs/dbraw/zinc/72/69/21/650726921.db2.gz BQNPDQPLCCDSCI-SECBINFHSA-N -1 3 269.366 2.311 20 10 CECDHM C[C@@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)C[C@H](C)O1 ZINC000921740287 642567969 /nfs/dbraw/zinc/56/79/69/642567969.db2.gz JUCKBHAUXHKKOP-JGPRNRPPSA-N -1 3 296.342 2.287 20 10 CECDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2CCCn3nccc32)c1 ZINC000850429590 642709816 /nfs/dbraw/zinc/70/98/16/642709816.db2.gz GRHKCXMRPYXZFB-LBPRGKRZSA-N -1 3 288.307 2.122 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCC=CO1 ZINC000922109021 642883485 /nfs/dbraw/zinc/88/34/85/642883485.db2.gz BTIICELGMPMFAU-JTQLQIEISA-N -1 3 280.299 2.023 20 10 CECDHM O=C1CN(Cc2ccccc2)[C@@H](c2cc(F)ccc2[O-])N1 ZINC000112368773 644101489 /nfs/dbraw/zinc/10/14/89/644101489.db2.gz GXDLEEWGZALOMT-INIZCTEOSA-N -1 3 286.306 2.162 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)N(C)C[C@@H]2C)c1[O-] ZINC000768762654 646159164 /nfs/dbraw/zinc/15/91/64/646159164.db2.gz FDJCPGBKPWYUIV-QWRGUYRKSA-N -1 3 294.370 2.258 20 10 CECDHM O=c1[n-]c(CN(Cc2ccccc2O)C2CCCC2)n[nH]1 ZINC000774626803 646869787 /nfs/dbraw/zinc/86/97/87/646869787.db2.gz MJZJNECAEXFKTR-UHFFFAOYSA-N -1 3 288.351 2.161 20 10 CECDHM O=C(Nc1nnc(C2CC2)s1)c1cccc(O)c1[O-] ZINC000790513795 648425418 /nfs/dbraw/zinc/42/54/18/648425418.db2.gz HFMCMLBZGLHIJH-UHFFFAOYSA-N -1 3 277.305 2.079 20 10 CECDHM COc1cccc(NC(=O)c2cccc(O)c2[O-])c1O ZINC000790918294 648460956 /nfs/dbraw/zinc/46/09/56/648460956.db2.gz KGONOINEXPBXMA-UHFFFAOYSA-N -1 3 275.260 2.064 20 10 CECDHM CC1(F)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000871074932 648997202 /nfs/dbraw/zinc/99/72/02/648997202.db2.gz ONDYPCVNHJXAHL-UHFFFAOYSA-N -1 3 253.273 2.062 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)Cc2c[nH]nc2C)c1[O-] ZINC000879186552 651257033 /nfs/dbraw/zinc/25/70/33/651257033.db2.gz MBQZCQGJTJPUEN-UHFFFAOYSA-N -1 3 291.326 2.397 20 10 CECDHM CC1(O)CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000921332057 808056925 /nfs/dbraw/zinc/05/69/25/808056925.db2.gz DKBVRWZDNADKBH-UHFFFAOYSA-N -1 3 296.342 2.024 20 10 CECDHM CCCN1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703501532 809652935 /nfs/dbraw/zinc/65/29/35/809652935.db2.gz JWWAQUMVZSVXSY-UHFFFAOYSA-N -1 3 270.323 2.198 20 10 CECDHM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CCCO1 ZINC000703592377 809667323 /nfs/dbraw/zinc/66/73/23/809667323.db2.gz IDJVZYLKMLCJGU-SECBINFHSA-N -1 3 257.280 2.281 20 10 CECDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](CC)O1 ZINC000398759541 813683696 /nfs/dbraw/zinc/68/36/96/813683696.db2.gz DBNBLKSOFSERFI-GHMZBOCLSA-N -1 3 279.336 2.127 20 10 CECDHM Cc1ccc(C(=O)NN2CCc3ccccc3C2)c([O-])c1O ZINC001146332577 814275361 /nfs/dbraw/zinc/27/53/61/814275361.db2.gz WKCKMQREILPFFW-UHFFFAOYSA-N -1 3 298.342 2.109 20 10 CECDHM C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148580623 814590281 /nfs/dbraw/zinc/59/02/81/814590281.db2.gz JBFWWFIANHRUQS-DTORHVGOSA-N -1 3 265.309 2.207 20 10 CECDHM CCN(CCn1ccnc1)Cc1c(F)ccc(F)c1[O-] ZINC001139687312 816083508 /nfs/dbraw/zinc/08/35/08/816083508.db2.gz LGCNVAUJLQLRIM-UHFFFAOYSA-N -1 3 281.306 2.389 20 10 CECDHM COC1C[C@@H]2COC[C@H](C1)N2Cc1c([O-])cccc1Cl ZINC001140345160 816240151 /nfs/dbraw/zinc/24/01/51/816240151.db2.gz PTLOANKNJXGVAS-FOSCPWQOSA-N -1 3 297.782 2.424 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCO[C@H]2C[C@@H](CO)C[C@@H]21 ZINC001140463087 816260195 /nfs/dbraw/zinc/26/01/95/816260195.db2.gz SBFLZAIFJFICIW-XEGUGMAKSA-N -1 3 297.782 2.017 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCN(CCF)CC1 ZINC001140467280 816261673 /nfs/dbraw/zinc/26/16/73/816261673.db2.gz UBFKNBDLBCVSMV-UHFFFAOYSA-N -1 3 272.751 2.133 20 10 CECDHM CCN1CCN(Cc2c([O-])cc(F)cc2F)C[C@H]1C ZINC001140585134 816294936 /nfs/dbraw/zinc/29/49/36/816294936.db2.gz ULFSASBTBUPPEO-SNVBAGLBSA-N -1 3 270.323 2.196 20 10 CECDHM CCC(=O)NC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142520882 816679508 /nfs/dbraw/zinc/67/95/08/816679508.db2.gz RAMKZRLWPXTKGM-UHFFFAOYSA-N -1 3 298.333 2.161 20 10 CECDHM CN(Cc1cncnc1)Cc1cc(F)c(F)cc1[O-] ZINC001142530174 816680323 /nfs/dbraw/zinc/68/03/23/816680323.db2.gz ABAGYQADFDPVHO-UHFFFAOYSA-N -1 3 265.263 2.092 20 10 CECDHM COC(=O)c1coc(CN(C)Cc2ccccc2[O-])c1 ZINC000111235544 364724509 /nfs/dbraw/zinc/72/45/09/364724509.db2.gz NVDWOVLRACBMQX-UHFFFAOYSA-N -1 3 275.304 2.404 20 10 CECDHM CC[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000171937406 367642651 /nfs/dbraw/zinc/64/26/51/367642651.db2.gz YDLASLMHDCAUCL-VXGBXAGGSA-N -1 3 264.369 2.127 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000245724957 370865601 /nfs/dbraw/zinc/86/56/01/370865601.db2.gz DRFJROCLRRZGKU-CABCVRRESA-N -1 3 297.782 2.425 20 10 CECDHM CCOC(=O)[C@@H]1CCCCN1Cc1cc(F)ccc1[O-] ZINC000179885334 368356072 /nfs/dbraw/zinc/35/60/72/368356072.db2.gz WMKAAZUWIJEKTB-ZDUSSCGKSA-N -1 3 281.327 2.449 20 10 CECDHM CCOC(=O)N[C@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000179933124 368358179 /nfs/dbraw/zinc/35/81/79/368358179.db2.gz IQJHFZRCZAXGEH-ZDUSSCGKSA-N -1 3 296.342 2.242 20 10 CECDHM C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000281497439 296143074 /nfs/dbraw/zinc/14/30/74/296143074.db2.gz GOQKINUQSVALRK-ZJUUUORDSA-N -1 3 298.333 2.332 20 10 CECDHM C[C@H](NCc1cc(F)ccc1[O-])C(=O)OC1CCCC1 ZINC000192006422 369762529 /nfs/dbraw/zinc/76/25/29/369762529.db2.gz FDAUUVLTWOIJBT-JTQLQIEISA-N -1 3 281.327 2.495 20 10 CECDHM CCN1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000267437016 372073090 /nfs/dbraw/zinc/07/30/90/372073090.db2.gz AMKOCFWCKITIQT-UHFFFAOYSA-N -1 3 294.370 2.262 20 10 CECDHM COCCCn1nccc1CN(C)Cc1ccccc1[O-] ZINC000282852337 375596268 /nfs/dbraw/zinc/59/62/68/375596268.db2.gz SWEGJHBVJQFTOS-UHFFFAOYSA-N -1 3 289.379 2.257 20 10 CECDHM CCCc1nc(C)c(CNC(=O)c2cccc(O)c2[O-])o1 ZINC000293890722 377811269 /nfs/dbraw/zinc/81/12/69/377811269.db2.gz MTSPCCYSUOPZAD-UHFFFAOYSA-N -1 3 290.319 2.277 20 10 CECDHM [O-]c1cccc(Cl)c1CNCc1nnc(C2CC2)[nH]1 ZINC000294807166 378021554 /nfs/dbraw/zinc/02/15/54/378021554.db2.gz NLYDJNALDVZHPN-UHFFFAOYSA-N -1 3 278.743 2.331 20 10 CECDHM CCN1CCCN(Cc2c([O-])cccc2Cl)CC1=O ZINC000276269842 285224407 /nfs/dbraw/zinc/22/44/07/285224407.db2.gz XSPXUHUGBDBHNL-UHFFFAOYSA-N -1 3 282.771 2.100 20 10 CECDHM COC(=O)CN(Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000175596729 395133286 /nfs/dbraw/zinc/13/32/86/395133286.db2.gz UCLGODAVCJRFRI-UHFFFAOYSA-N -1 3 297.326 2.117 20 10 CECDHM C[C@@H]1CCCCN1C(=O)CN(C)Cc1ccccc1[O-] ZINC000174854028 395128321 /nfs/dbraw/zinc/12/83/21/395128321.db2.gz KLJMFVKLFPRRSM-CYBMUJFWSA-N -1 3 276.380 2.225 20 10 CECDHM Cc1ccc(C(=O)Nc2ccnn2C(C)C)c([O-])c1O ZINC000177667726 395154446 /nfs/dbraw/zinc/15/44/46/395154446.db2.gz KHLDEEXHPWBCQB-UHFFFAOYSA-N -1 3 275.308 2.436 20 10 CECDHM CC[C@@H](N[C@@H](C)C(=O)NC)c1cccc(Cl)c1[O-] ZINC000292006727 395181715 /nfs/dbraw/zinc/18/17/15/395181715.db2.gz YHESKARELRDLTC-GZMMTYOYSA-N -1 3 270.760 2.221 20 10 CECDHM CSC[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000182830633 395248452 /nfs/dbraw/zinc/24/84/52/395248452.db2.gz HQWOJVJGJHVDGK-SNVBAGLBSA-N -1 3 281.377 2.374 20 10 CECDHM [O-]c1ccccc1CN(Cc1c[nH]cn1)C[C@H]1CCCO1 ZINC000179570339 395196698 /nfs/dbraw/zinc/19/66/98/395196698.db2.gz WTVXHOAUWAKRDR-OAHLLOKOSA-N -1 3 287.363 2.297 20 10 CECDHM O=C(/C=C/c1cncc([O-])c1)N1CCOc2ccccc21 ZINC000179423448 260048007 /nfs/dbraw/zinc/04/80/07/260048007.db2.gz NVDVQPOBHROJKD-AATRIKPKSA-N -1 3 282.299 2.226 20 10 CECDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCC1(F)F ZINC000290753311 300197584 /nfs/dbraw/zinc/19/75/84/300197584.db2.gz APDRIFZQQYYVQE-QMMMGPOBSA-N -1 3 271.263 2.215 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCOC[C@H]1CC(=O)OC ZINC000377870267 329032481 /nfs/dbraw/zinc/03/24/81/329032481.db2.gz TYZUZSNTAKEOMM-TZMCWYRMSA-N -1 3 293.363 2.107 20 10 CECDHM CCO[C@@]1(C)C[C@H]1NC(=O)NCc1cc(Cl)ccc1[O-] ZINC000528210358 330313409 /nfs/dbraw/zinc/31/34/09/330313409.db2.gz KQCYCMSKKVYDAJ-OCCSQVGLSA-N -1 3 298.770 2.412 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@](C)(O)CC2)c1[O-] ZINC000230359017 333316683 /nfs/dbraw/zinc/31/66/83/333316683.db2.gz VUDDFYGKJZSUKG-MRXNPFEDSA-N -1 3 295.354 2.471 20 10 CECDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@@H]1C1CC1 ZINC000291102857 520455255 /nfs/dbraw/zinc/45/52/55/520455255.db2.gz LWRYOWSDLNBPCR-CYBMUJFWSA-N -1 3 261.321 2.358 20 10 CECDHM C[C@]1(O)CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000129512515 525305249 /nfs/dbraw/zinc/30/52/49/525305249.db2.gz DOOKUZHWFPTHHK-ZDUSSCGKSA-N -1 3 255.745 2.392 20 10 CECDHM CSC1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000280077667 525328073 /nfs/dbraw/zinc/32/80/73/525328073.db2.gz KFXAIQCYLUMAGI-UHFFFAOYSA-N -1 3 267.350 2.113 20 10 CECDHM C[C@@H]1c2ccccc2O[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000365839454 525727313 /nfs/dbraw/zinc/72/73/13/525727313.db2.gz UGLLYKVUWLECJN-MEBBXXQBSA-N -1 3 299.326 2.392 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ccc[nH]1 ZINC000279659449 526771226 /nfs/dbraw/zinc/77/12/26/526771226.db2.gz XRVNEWRJYNRFBT-GFCCVEGCSA-N -1 3 272.304 2.403 20 10 CECDHM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000749544036 575224880 /nfs/dbraw/zinc/22/48/80/575224880.db2.gz HPPQPNVLLYCVGW-VIFPVBQESA-N -1 3 297.376 2.258 20 10 CECDHM CC(C)c1noc(CCCNC(=O)c2cc([O-])cs2)n1 ZINC000731872123 574604575 /nfs/dbraw/zinc/60/45/75/574604575.db2.gz YZOKUYSDFXHVNU-UHFFFAOYSA-N -1 3 295.364 2.323 20 10 CECDHM COc1cccc(CNC(=O)c2cc([O-])cs2)c1OC ZINC000731868500 574604994 /nfs/dbraw/zinc/60/49/94/574604994.db2.gz GXNXHPUOCLZZNT-UHFFFAOYSA-N -1 3 293.344 2.401 20 10 CECDHM Cc1cc(NC(=O)c2cc([O-])cs2)ccc1C(N)=O ZINC000732287141 574618144 /nfs/dbraw/zinc/61/81/44/574618144.db2.gz QLJGVMJZCKSRRK-UHFFFAOYSA-N -1 3 276.317 2.113 20 10 CECDHM O=C(N[C@@H]1COc2ccccc2C1)c1cc([O-])cs1 ZINC000732270782 574616811 /nfs/dbraw/zinc/61/68/11/574616811.db2.gz KAZHZMZZYGXDCF-JTQLQIEISA-N -1 3 275.329 2.187 20 10 CECDHM Cc1ccc2nc(CNC(=O)c3cc([O-])cs3)cn2c1 ZINC000732276134 574617189 /nfs/dbraw/zinc/61/71/89/574617189.db2.gz SKOVDIFYVBRLDC-UHFFFAOYSA-N -1 3 287.344 2.340 20 10 CECDHM CC[C@H]1CN(C(=O)c2cc([O-])cs2)C[C@H](C)O1 ZINC000732301707 574617494 /nfs/dbraw/zinc/61/74/94/574617494.db2.gz GTDGNVRAKDBQDW-WPRPVWTQSA-N -1 3 255.339 2.093 20 10 CECDHM Cc1noc([C@@H](C)OC(=O)c2cc([O-])cs2)n1 ZINC000732354262 574619713 /nfs/dbraw/zinc/61/97/13/574619713.db2.gz IQSRCBWELIPSDE-RXMQYKEDSA-N -1 3 254.267 2.063 20 10 CECDHM C[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc([O-])cs1 ZINC000741296649 574980862 /nfs/dbraw/zinc/98/08/62/574980862.db2.gz SKVMJEZGWKMKRH-LLVKDONJSA-N -1 3 291.372 2.477 20 10 CECDHM O=C(COC(=O)c1cc([O-])cs1)C1CCCC1 ZINC000745003144 575130550 /nfs/dbraw/zinc/13/05/50/575130550.db2.gz YKZURDJJFDZHJP-UHFFFAOYSA-N -1 3 254.307 2.370 20 10 CECDHM [O-]c1cccc(Cl)c1CNC[C@@H](O)c1ccco1 ZINC000747098895 575167146 /nfs/dbraw/zinc/16/71/46/575167146.db2.gz DVZDBEDWQOPNJQ-GFCCVEGCSA-N -1 3 267.712 2.462 20 10 CECDHM COc1ncc(C)cc1NC(=O)c1cc([O-])cs1 ZINC000746693007 575163034 /nfs/dbraw/zinc/16/30/34/575163034.db2.gz ATYBXVBYIGCIJR-UHFFFAOYSA-N -1 3 264.306 2.418 20 10 CECDHM CN1CC(=O)N[C@@H]1c1cc(-c2ccccc2)ccc1[O-] ZINC000749702876 575230055 /nfs/dbraw/zinc/23/00/55/575230055.db2.gz VPZJVGZETSPKMW-INIZCTEOSA-N -1 3 268.316 2.119 20 10 CECDHM CN1CCc2cc(C=Cc3nccc(=O)[n-]3)ccc21 ZINC000751536675 575291593 /nfs/dbraw/zinc/29/15/93/575291593.db2.gz WUJXZZICCUEVMN-HYXAFXHYSA-N -1 3 253.305 2.345 20 10 CECDHM O=C(Nc1cccc2c1COC2=O)c1cccc(O)c1[O-] ZINC000752854019 575315611 /nfs/dbraw/zinc/31/56/11/575315611.db2.gz RAWRAKKOZRDKDP-UHFFFAOYSA-N -1 3 285.255 2.021 20 10 CECDHM CC1([C@@H]2CCCN(C(=O)c3cc([O-])cs3)C2)OCCO1 ZINC000753523011 575328712 /nfs/dbraw/zinc/32/87/12/575328712.db2.gz HKIPVDNLFFCTQA-SNVBAGLBSA-N -1 3 297.376 2.069 20 10 CECDHM O=C([O-])C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236425130 598211722 /nfs/dbraw/zinc/21/17/22/598211722.db2.gz GQEFUXDQJGAKBX-JTQLQIEISA-N -1 3 267.300 2.218 20 10 CECDHM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236425130 598211723 /nfs/dbraw/zinc/21/17/23/598211723.db2.gz GQEFUXDQJGAKBX-JTQLQIEISA-N -1 3 267.300 2.218 20 10 CECDHM Cc1ccnc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000177661918 623184356 /nfs/dbraw/zinc/18/43/56/623184356.db2.gz UGHPOQXRUMNNGB-UHFFFAOYSA-N -1 3 258.277 2.362 20 10 CECDHM CC(=O)NC[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000893864798 629021009 /nfs/dbraw/zinc/02/10/09/629021009.db2.gz DKZFWCGWCIGGTJ-NSHDSACASA-N -1 3 298.333 2.019 20 10 CECDHM CC1(C)C[C@H](O)CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895460658 630203297 /nfs/dbraw/zinc/20/32/97/630203297.db2.gz QLRNHDVXEUOTTB-NSHDSACASA-N -1 3 271.307 2.263 20 10 CECDHM C[C@@H](O)c1ncc(CNCc2c([O-])cccc2F)s1 ZINC000896637341 630620794 /nfs/dbraw/zinc/62/07/94/630620794.db2.gz MMYJUEROLCHGFU-MRVPVSSYSA-N -1 3 282.340 2.331 20 10 CECDHM Cc1ccc(C(=O)Nc2cnc(CC3CC3)nc2)c([O-])c1O ZINC000803558632 631585233 /nfs/dbraw/zinc/58/52/33/631585233.db2.gz AZNSXKZLWPNGHW-UHFFFAOYSA-N -1 3 299.330 2.401 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CCN(C2CC2)CC1 ZINC000816484809 633398394 /nfs/dbraw/zinc/39/83/94/633398394.db2.gz PHQDOJMYWQCDJC-UHFFFAOYSA-N -1 3 284.762 2.465 20 10 CECDHM COc1nn(C)cc1CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000903339267 635068608 /nfs/dbraw/zinc/06/86/08/635068608.db2.gz XNGIMMRHZPHXSX-QMMMGPOBSA-N -1 3 297.305 2.263 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@H](C)C[C@@H]2C(N)=O)cc1Cl ZINC000825568205 635666547 /nfs/dbraw/zinc/66/65/47/635666547.db2.gz UCTHENMRIFSCBL-TVQRCGJNSA-N -1 3 296.798 2.440 20 10 CECDHM Cc1ccc(C(=O)N2OC3CCC2CC3)c([O-])c1O ZINC000831510258 637354150 /nfs/dbraw/zinc/35/41/50/637354150.db2.gz PRUHKOBLOCZGIL-UHFFFAOYSA-N -1 3 263.293 2.105 20 10 CECDHM Cc1cc([O-])c(CN(C)Cc2nc[nH]n2)c(Cl)c1 ZINC000840918519 639586110 /nfs/dbraw/zinc/58/61/10/639586110.db2.gz UWGRAPJGZDRJLA-UHFFFAOYSA-N -1 3 266.732 2.104 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@H](C)C[C@H]2C(N)=O)c(Cl)c1 ZINC000840939260 639593795 /nfs/dbraw/zinc/59/37/95/639593795.db2.gz LRCYKKIQUVKECI-ZANVPECISA-N -1 3 296.798 2.440 20 10 CECDHM CCn1ncnc1CNCc1c([O-])cc(C)cc1Cl ZINC000840941319 639594073 /nfs/dbraw/zinc/59/40/73/639594073.db2.gz UNLXUBDDPTWHCH-UHFFFAOYSA-N -1 3 280.759 2.255 20 10 CECDHM O=C(NCCCc1ccccc1)c1cccc(O)c1[O-] ZINC000126274369 650512779 /nfs/dbraw/zinc/51/27/79/650512779.db2.gz BTPYNKVFWVLEMH-UHFFFAOYSA-N -1 3 271.316 2.460 20 10 CECDHM O=C(Nc1nc2ccccc2[nH]1)c1cccc(O)c1[O-] ZINC000126411412 650632748 /nfs/dbraw/zinc/63/27/48/650632748.db2.gz RXHXGIBSPXOQSB-UHFFFAOYSA-N -1 3 269.260 2.226 20 10 CECDHM COc1ncccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182082088 641622831 /nfs/dbraw/zinc/62/28/31/641622831.db2.gz KHJKYQURHDWAMP-UHFFFAOYSA-N -1 3 274.276 2.062 20 10 CECDHM O=C(NC[C@H]1CCCCS1)c1cccc(O)c1[O-] ZINC000126490077 650695942 /nfs/dbraw/zinc/69/59/42/650695942.db2.gz XLCXAAOREVPIJN-SECBINFHSA-N -1 3 267.350 2.113 20 10 CECDHM CC(C)(C)n1nnc(CNCc2c([O-])cccc2Cl)n1 ZINC000848564614 642055873 /nfs/dbraw/zinc/05/58/73/642055873.db2.gz PMWKBMVFYRHPGT-UHFFFAOYSA-N -1 3 295.774 2.077 20 10 CECDHM COCc1nnc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])[n-]1 ZINC000850514630 642737355 /nfs/dbraw/zinc/73/73/55/642737355.db2.gz ODRYNRSYVQZLNW-MRVPVSSYSA-N -1 3 296.758 2.161 20 10 CECDHM [O-]c1ccc(Cl)cc1CNCc1noc2c1COCC2 ZINC000923014824 643512856 /nfs/dbraw/zinc/51/28/56/643512856.db2.gz FJQDUQXLEFHSJW-UHFFFAOYSA-N -1 3 294.738 2.396 20 10 CECDHM COC1(C)CN(Cc2cc(Br)ccc2[O-])C1 ZINC000839102386 644148740 /nfs/dbraw/zinc/14/87/40/644148740.db2.gz NDRYQHYGMDMWCA-UHFFFAOYSA-N -1 3 286.169 2.375 20 10 CECDHM COc1c([O-])c(CN2CC(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000839140602 644172303 /nfs/dbraw/zinc/17/23/03/644172303.db2.gz HNKGLRNLBRIUFZ-UHFFFAOYSA-N -1 3 288.250 2.006 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCCSC[C@@H]1C1CC1 ZINC000888489953 644302852 /nfs/dbraw/zinc/30/28/52/644302852.db2.gz PCLNREZGKCUNLS-GFCCVEGCSA-N -1 3 293.388 2.456 20 10 CECDHM Cc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])[nH]n1 ZINC000756585957 644672789 /nfs/dbraw/zinc/67/27/89/644672789.db2.gz OZAJJZAEUROZDD-VIFPVBQESA-N -1 3 276.296 2.183 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCc2n[nH]cc2C1 ZINC000857875947 644993371 /nfs/dbraw/zinc/99/33/71/644993371.db2.gz IKTDFZPCJFACLK-UHFFFAOYSA-N -1 3 263.728 2.327 20 10 CECDHM C[C@]1(O)CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775734150 646985939 /nfs/dbraw/zinc/98/59/39/646985939.db2.gz LUHDCBKXQDPUJB-LBPRGKRZSA-N -1 3 259.708 2.141 20 10 CECDHM CC(C)(NC(=O)c1cccc(O)c1[O-])C1CCOCC1 ZINC000787812731 648144479 /nfs/dbraw/zinc/14/44/79/648144479.db2.gz QVBRKLZWEVFHSJ-UHFFFAOYSA-N -1 3 279.336 2.033 20 10 CECDHM Cc1c(NC(=O)c2cccc(O)c2[O-])n[nH]c1C1CC1 ZINC000790598897 648433891 /nfs/dbraw/zinc/43/38/91/648433891.db2.gz QYSLXVUKJWYGHA-UHFFFAOYSA-N -1 3 273.292 2.259 20 10 CECDHM COC1CCC(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000790869026 648457058 /nfs/dbraw/zinc/45/70/58/648457058.db2.gz OOQSMUQBLHKPPH-UHFFFAOYSA-N -1 3 279.336 2.033 20 10 CECDHM CC[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1O ZINC000792173173 648619154 /nfs/dbraw/zinc/61/91/54/648619154.db2.gz TXCRVBIOMXSEJI-PRHODGIISA-N -1 3 273.735 2.387 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC2(CCCCO2)CC1 ZINC000882438587 652071576 /nfs/dbraw/zinc/07/15/76/652071576.db2.gz PFRGGSZYCZEDDT-UHFFFAOYSA-N -1 3 291.347 2.273 20 10 CECDHM [O-]c1c(F)cc(F)cc1CNCc1cnc2n1CCCC2 ZINC000883114352 652367262 /nfs/dbraw/zinc/36/72/62/652367262.db2.gz RWYASUUAJMIWSH-UHFFFAOYSA-N -1 3 293.317 2.493 20 10 CECDHM O=C(N[C@H]1CCCc2cccnc21)c1cccc(O)c1[O-] ZINC000885388459 653002136 /nfs/dbraw/zinc/00/21/36/653002136.db2.gz WTYQMLMVDOZWMG-LBPRGKRZSA-N -1 3 284.315 2.300 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CCC(n2cnnc2)CC1 ZINC001142527064 806619259 /nfs/dbraw/zinc/61/92/59/806619259.db2.gz JDYBFSHHRHKRCN-UHFFFAOYSA-N -1 3 294.305 2.099 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCc2ccsc2C1 ZINC000712276473 810556229 /nfs/dbraw/zinc/55/62/29/810556229.db2.gz HVSJAIXYUGGGQI-UHFFFAOYSA-N -1 3 275.329 2.358 20 10 CECDHM Cc1cc(C)c(CNC(=O)c2cccc(O)c2[O-])c(O)c1 ZINC001148224002 814537746 /nfs/dbraw/zinc/53/77/46/814537746.db2.gz BACPJFAFGKFPFI-UHFFFAOYSA-N -1 3 287.315 2.350 20 10 CECDHM CCc1ncsc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583106 814591697 /nfs/dbraw/zinc/59/16/97/814591697.db2.gz TYYSMOGOCZQZJO-UHFFFAOYSA-N -1 3 280.305 2.075 20 10 CECDHM CN(CC1CCCCC1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584136 814591783 /nfs/dbraw/zinc/59/17/83/814591783.db2.gz PHSSUWFFLUTNCM-UHFFFAOYSA-N -1 3 279.336 2.456 20 10 CECDHM C[C@@H]1CC[C@H](O)CN1Cc1c([O-])c(F)ccc1F ZINC001139684387 814752207 /nfs/dbraw/zinc/75/22/07/814752207.db2.gz IIHJRGKSNJYXQV-BDAKNGLRSA-N -1 3 257.280 2.016 20 10 CECDHM CN(CCNC(=O)OC(C)(C)C)Cc1c([O-])cccc1F ZINC001137831494 815690812 /nfs/dbraw/zinc/69/08/12/815690812.db2.gz BSKAWFCZDUSMCM-UHFFFAOYSA-N -1 3 298.358 2.488 20 10 CECDHM [O-]c1c(F)cccc1CN1CCc2cnccc2C1 ZINC001138122462 815730604 /nfs/dbraw/zinc/73/06/04/815730604.db2.gz GVPSXYFACKISLB-UHFFFAOYSA-N -1 3 258.296 2.485 20 10 CECDHM COC(=O)[C@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685488 816081027 /nfs/dbraw/zinc/08/10/27/816081027.db2.gz LMUIYRIRKBICMH-VIFPVBQESA-N -1 3 285.290 2.055 20 10 CECDHM [O-]c1cccc(Cl)c1CN1C[C@H]2CC[C@@H]1CO2 ZINC001140342520 816238045 /nfs/dbraw/zinc/23/80/45/816238045.db2.gz MZBDXUDZTMOJLP-NXEZZACHSA-N -1 3 253.729 2.409 20 10 CECDHM Cn1cc2c(n1)CCN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140465652 816262843 /nfs/dbraw/zinc/26/28/43/816262843.db2.gz PUUFZMRDURCYFI-UHFFFAOYSA-N -1 3 277.755 2.337 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCCC[C@@H](O)C1 ZINC001140582785 816291417 /nfs/dbraw/zinc/29/14/17/816291417.db2.gz MXNQRXGIAAMEJF-SNVBAGLBSA-N -1 3 257.280 2.017 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCC(n2cnnc2)CC1 ZINC001140584303 816293854 /nfs/dbraw/zinc/29/38/54/816293854.db2.gz MGXMPNYHKLYMKA-UHFFFAOYSA-N -1 3 294.305 2.099 20 10 CECDHM Cc1ccc(C(=O)NCc2cc(O)ccc2O)c([O-])c1 ZINC001176748629 816465835 /nfs/dbraw/zinc/46/58/35/816465835.db2.gz YCODMMIBLODOLP-UHFFFAOYSA-N -1 3 273.288 2.042 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CC2(CSC2)C1 ZINC001142531404 816680764 /nfs/dbraw/zinc/68/07/64/816680764.db2.gz WNFDIZZOJKVUBL-UHFFFAOYSA-N -1 3 257.305 2.219 20 10 CECDHM CCCN(Cc1nnc(C)n1C)Cc1ccccc1[O-] ZINC000170779117 367414310 /nfs/dbraw/zinc/41/43/10/367414310.db2.gz GZMZDWQGAWCLQC-UHFFFAOYSA-N -1 3 274.368 2.241 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)CCN(C)C2CC2)c1[O-] ZINC000186784428 369041530 /nfs/dbraw/zinc/04/15/30/369041530.db2.gz IFKZLULDCOGYFL-UHFFFAOYSA-N -1 3 294.370 2.260 20 10 CECDHM CCOC(=O)[C@H](NCc1ccccc1[O-])[C@@H](C)CC ZINC000187863514 369239104 /nfs/dbraw/zinc/23/91/04/369239104.db2.gz DEDJBZWAOAFMOE-SMDDNHRTSA-N -1 3 265.353 2.460 20 10 CECDHM COc1cc(Cl)cc(CN(CCO)CC(F)F)c1[O-] ZINC000193023620 369883459 /nfs/dbraw/zinc/88/34/59/369883459.db2.gz HFPDHXYXGZPNRY-UHFFFAOYSA-N -1 3 295.713 2.114 20 10 CECDHM CC(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000193128190 369897615 /nfs/dbraw/zinc/89/76/15/369897615.db2.gz QBNRMKAMMVJUBS-IAQYHMDHSA-N -1 3 293.363 2.279 20 10 CECDHM CC1(O)CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271159184 373150936 /nfs/dbraw/zinc/15/09/36/373150936.db2.gz CVADIUBAPRSZRC-UHFFFAOYSA-N -1 3 255.745 2.392 20 10 CECDHM [O-]c1ccccc1CN1CCN(c2ncccc2F)CC1 ZINC000271474683 373191629 /nfs/dbraw/zinc/19/16/29/373191629.db2.gz ZWXLMBCSARHRMI-UHFFFAOYSA-N -1 3 287.338 2.249 20 10 CECDHM CCCCN(CCOC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272872193 373687620 /nfs/dbraw/zinc/68/76/20/373687620.db2.gz WMPXMUYNWPIRFU-UHFFFAOYSA-N -1 3 281.352 2.295 20 10 CECDHM Cc1ccc(C(=O)N2CCOCC23CCCC3)c([O-])c1O ZINC000273019222 373742312 /nfs/dbraw/zinc/74/23/12/373742312.db2.gz RDXBRMCBLNZCBH-UHFFFAOYSA-N -1 3 291.347 2.191 20 10 CECDHM CCN1CCN(Cc2c([O-])ccc3ccccc32)CC1=O ZINC000273502646 373759418 /nfs/dbraw/zinc/75/94/18/373759418.db2.gz PKCCYHDWNPDIQK-UHFFFAOYSA-N -1 3 284.359 2.210 20 10 CECDHM CON(CC(C)(C)C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000286466760 375962535 /nfs/dbraw/zinc/96/25/35/375962535.db2.gz KPFIPUJFRTZHNC-UHFFFAOYSA-N -1 3 267.325 2.456 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)[C@H](C)C(C)(C)O)c1[O-] ZINC000295047438 378036893 /nfs/dbraw/zinc/03/68/93/378036893.db2.gz AVWXBGNWNBSFQK-SNVBAGLBSA-N -1 3 283.343 2.325 20 10 CECDHM CN(C)C(=O)O[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000295210065 378053327 /nfs/dbraw/zinc/05/33/27/378053327.db2.gz ZZFSUIKCCKPVAF-SNVBAGLBSA-N -1 3 298.770 2.318 20 10 CECDHM CC[C@@H](N[C@@H](C(N)=O)c1ccccn1)c1ccc(C)cc1[O-] ZINC000296639293 378601236 /nfs/dbraw/zinc/60/12/36/378601236.db2.gz BYABNYRLPRWFOO-CZUORRHYSA-N -1 3 299.374 2.363 20 10 CECDHM CCn1nncc1CNCc1cc(Cl)cc(F)c1[O-] ZINC000529638615 380181333 /nfs/dbraw/zinc/18/13/33/380181333.db2.gz MGHRGBCLYLGZAU-UHFFFAOYSA-N -1 3 284.722 2.086 20 10 CECDHM C[C@@H](C(=O)N1CCC(C)CC1)N(C)Cc1ccccc1[O-] ZINC000109771878 394735022 /nfs/dbraw/zinc/73/50/22/394735022.db2.gz HGEYRKZSIBIZQE-AWEZNQCLSA-N -1 3 290.407 2.471 20 10 CECDHM C[C@@H](C(=O)Nc1nccs1)N(C)Cc1ccccc1[O-] ZINC000109773127 394735539 /nfs/dbraw/zinc/73/55/39/394735539.db2.gz MZMRHMGUGQNXOZ-JTQLQIEISA-N -1 3 291.376 2.308 20 10 CECDHM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(Cl)ccc1[O-] ZINC000373739230 395065282 /nfs/dbraw/zinc/06/52/82/395065282.db2.gz VOHJHMFYEHLAQR-IUPBHXKESA-N -1 3 294.782 2.131 20 10 CECDHM CCCCCN1CC(=O)N[C@H]1c1cc(OC)ccc1[O-] ZINC000182325232 395238674 /nfs/dbraw/zinc/23/86/74/395238674.db2.gz MXZPXFHJESYTHI-OAHLLOKOSA-N -1 3 278.352 2.021 20 10 CECDHM COC[C@@H]1CCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000293673621 395246884 /nfs/dbraw/zinc/24/68/84/395246884.db2.gz PAODTGVDFXEDGN-NSHDSACASA-N -1 3 271.744 2.275 20 10 CECDHM Cc1ccc(C(=O)NCC[C@H]2CCCCO2)c([O-])c1O ZINC000183226133 395253023 /nfs/dbraw/zinc/25/30/23/395253023.db2.gz ODNNLIVSNDWLJJ-LLVKDONJSA-N -1 3 279.336 2.095 20 10 CECDHM O=C(N[C@@H]1CCOc2ccccc21)c1cccc(O)c1[O-] ZINC000126381404 260350322 /nfs/dbraw/zinc/35/03/22/260350322.db2.gz HNKMRATYYVMMDL-GFCCVEGCSA-N -1 3 285.299 2.351 20 10 CECDHM Cc1ccc(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c([O-])c1O ZINC000157083691 261139280 /nfs/dbraw/zinc/13/92/80/261139280.db2.gz ZBDCVCQVWUDBSW-WCQYABFASA-N -1 3 291.347 2.094 20 10 CECDHM C[C@@]1(CNC(=O)c2cccc(O)c2[O-])CCO[C@@H]1C1CC1 ZINC000370497087 267324359 /nfs/dbraw/zinc/32/43/59/267324359.db2.gz AGYDRXSWERKPNB-ZBFHGGJFSA-N -1 3 291.347 2.033 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CC[C@](O)(C3CC3)C2)c1[O-] ZINC000377265695 268062003 /nfs/dbraw/zinc/06/20/03/268062003.db2.gz HFIPOSXRBHPXME-MRXNPFEDSA-N -1 3 293.338 2.081 20 10 CECDHM O=C(NC[C@@H]1CCOc2ccccc21)c1cccc(O)c1[O-] ZINC000193049710 329438524 /nfs/dbraw/zinc/43/85/24/329438524.db2.gz OABRQDOIVPKRCU-NSHDSACASA-N -1 3 299.326 2.394 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CCO)c1[O-] ZINC000050132855 518282772 /nfs/dbraw/zinc/28/27/72/518282772.db2.gz LTYRZVRHTCEYEZ-AWEZNQCLSA-N -1 3 295.354 2.471 20 10 CECDHM CCOCc1nc([C@H](C)NCc2cc(F)ccc2[O-])no1 ZINC000290966845 520219176 /nfs/dbraw/zinc/21/91/76/520219176.db2.gz RZSYVXCIMVNVGN-VIFPVBQESA-N -1 3 295.314 2.302 20 10 CECDHM COC(=O)[C@@H](NCc1cc(Cl)cc(OC)c1[O-])C1CC1 ZINC000276426026 523632262 /nfs/dbraw/zinc/63/22/62/523632262.db2.gz GWOQKKWIRHLDBV-LBPRGKRZSA-N -1 3 299.754 2.095 20 10 CECDHM COCCO[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000276085363 524036931 /nfs/dbraw/zinc/03/69/31/524036931.db2.gz XJZVMUMVPOMCMQ-NSHDSACASA-N -1 3 285.771 2.283 20 10 CECDHM C[C@@H](CCO)C1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000279686108 524502243 /nfs/dbraw/zinc/50/22/43/524502243.db2.gz BDNAXXFQLUIBBY-NSHDSACASA-N -1 3 293.363 2.016 20 10 CECDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@]2(CCOC2)O1 ZINC000280331011 524981768 /nfs/dbraw/zinc/98/17/68/524981768.db2.gz RELRTFUZPIUTKB-ABAIWWIYSA-N -1 3 297.782 2.425 20 10 CECDHM Cn1cncc1CNCc1cc(Br)ccc1[O-] ZINC000289577891 527509576 /nfs/dbraw/zinc/50/95/76/527509576.db2.gz JUZCNNNYWHOSQT-UHFFFAOYSA-N -1 3 296.168 2.178 20 10 CECDHM CCc1nnc([C@H](C)OC(=O)c2cc([O-])cs2)o1 ZINC000732354576 574619683 /nfs/dbraw/zinc/61/96/83/574619683.db2.gz WEPMWROIWCODID-LURJTMIESA-N -1 3 268.294 2.317 20 10 CECDHM CN(C(=O)COC(=O)c1cc([O-])cs1)C1CCCCC1 ZINC000732355009 574619785 /nfs/dbraw/zinc/61/97/85/574619785.db2.gz ZNDNCXRQCUIQCX-UHFFFAOYSA-N -1 3 297.376 2.402 20 10 CECDHM Cc1cc([O-])c(C[N@H+]2CC[C@H](CN(C)C(=O)[O-])C2)cc1C ZINC000740089855 574941661 /nfs/dbraw/zinc/94/16/61/574941661.db2.gz ZNOJWMWIHPRZAV-CYBMUJFWSA-N -1 3 292.379 2.441 20 10 CECDHM Cc1cc([O-])c(C[N@@H+]2CC[C@H](CN(C)C(=O)[O-])C2)cc1C ZINC000740089855 574941663 /nfs/dbraw/zinc/94/16/63/574941663.db2.gz ZNOJWMWIHPRZAV-CYBMUJFWSA-N -1 3 292.379 2.441 20 10 CECDHM O=C([O-])NC1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000740559385 574959199 /nfs/dbraw/zinc/95/91/99/574959199.db2.gz CEWFLMBLJOSROZ-UHFFFAOYSA-N -1 3 264.325 2.061 20 10 CECDHM Cc1ccc(C(=O)Nc2cc(N(C)C)ccn2)c([O-])c1O ZINC000753014327 575317828 /nfs/dbraw/zinc/31/78/28/575317828.db2.gz CVDBSFPJIJJMAQ-UHFFFAOYSA-N -1 3 287.319 2.120 20 10 CECDHM O=C([O-])NCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000832658661 603575497 /nfs/dbraw/zinc/57/54/97/603575497.db2.gz UBTCPCRNEFAVMW-UHFFFAOYSA-N -1 3 286.331 2.416 20 10 CECDHM C[C@@H]([NH2+]CC[C@H](C)NC(=O)[O-])c1ccccc1[O-] ZINC000833805153 606043937 /nfs/dbraw/zinc/04/39/37/606043937.db2.gz NBSYXFFJRXTFSN-VHSXEESVSA-N -1 3 252.314 2.089 20 10 CECDHM C[C@H](NCc1cc(C(N)=O)co1)c1ccc(F)cc1[O-] ZINC000187734170 628276937 /nfs/dbraw/zinc/27/69/37/628276937.db2.gz DUCMHCPMZJYJGE-QMMMGPOBSA-N -1 3 278.283 2.074 20 10 CECDHM CC[C@H]1C(=O)NCCN1Cc1c([O-])cc(C)cc1Cl ZINC000840913005 628461643 /nfs/dbraw/zinc/46/16/43/628461643.db2.gz BZUWHWPEYLJNLQ-LBPRGKRZSA-N -1 3 282.771 2.064 20 10 CECDHM C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1C(=O)[O-] ZINC000311402404 629437451 /nfs/dbraw/zinc/43/74/51/629437451.db2.gz VOGLVGPFZYPHDD-JOYOIKCWSA-N -1 3 267.300 2.074 20 10 CECDHM C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1C(=O)[O-] ZINC000311402404 629437452 /nfs/dbraw/zinc/43/74/52/629437452.db2.gz VOGLVGPFZYPHDD-JOYOIKCWSA-N -1 3 267.300 2.074 20 10 CECDHM O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)cc(F)c1[O-] ZINC000894969981 629773264 /nfs/dbraw/zinc/77/32/64/629773264.db2.gz OQETZBVOJIECHU-PHIMTYICSA-N -1 3 267.275 2.366 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCCn2nncc2C1 ZINC000895756138 630331701 /nfs/dbraw/zinc/33/17/01/630331701.db2.gz CQLQWUQLXJHETM-UHFFFAOYSA-N -1 3 278.743 2.043 20 10 CECDHM Cn1ncc(CNCc2c([O-])cccc2F)c1C1CC1 ZINC000896638123 630622058 /nfs/dbraw/zinc/62/20/58/630622058.db2.gz IABZEMNMSQAKEJ-UHFFFAOYSA-N -1 3 275.327 2.432 20 10 CECDHM Cn1ncc(C2CC2)c1C(=O)NCc1c([O-])cccc1F ZINC000928712789 631131377 /nfs/dbraw/zinc/13/13/77/631131377.db2.gz UYACZALPGXXCGF-UHFFFAOYSA-N -1 3 289.310 2.072 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@H](O)[C@H](F)C2)c(Cl)c1 ZINC000898187912 632101359 /nfs/dbraw/zinc/10/13/59/632101359.db2.gz JGYUBWLXTUJALV-NEPJUHHUSA-N -1 3 273.735 2.259 20 10 CECDHM O=C(NCc1c([O-])cccc1F)c1cnn(C2CCC2)c1 ZINC000830180229 637001252 /nfs/dbraw/zinc/00/12/52/637001252.db2.gz JFASYHQAVDDDGV-UHFFFAOYSA-N -1 3 289.310 2.383 20 10 CECDHM CC(=O)N(C)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876646609 650373696 /nfs/dbraw/zinc/37/36/96/650373696.db2.gz WRXFJVHQFWWNIE-UHFFFAOYSA-N -1 3 298.333 2.113 20 10 CECDHM CO[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000837017843 639020123 /nfs/dbraw/zinc/02/01/23/639020123.db2.gz RXDVZMVIXVRNNX-OLZOCXBDSA-N -1 3 291.347 2.127 20 10 CECDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1F ZINC000126252087 650504390 /nfs/dbraw/zinc/50/43/90/650504390.db2.gz UYGSPHSZYUEJGK-UHFFFAOYSA-N -1 3 277.251 2.498 20 10 CECDHM Cc1cc([O-])c(CNCc2nnc3n2CCC3)c(Cl)c1 ZINC000840876568 639569254 /nfs/dbraw/zinc/56/92/54/639569254.db2.gz WSABIBYHXCXSMQ-UHFFFAOYSA-N -1 3 292.770 2.182 20 10 CECDHM Cc1cc([O-])c(CNCC(F)(F)CN)c(Cl)c1 ZINC000841060395 639636465 /nfs/dbraw/zinc/63/64/65/639636465.db2.gz XYFPFSSZKMVJQT-UHFFFAOYSA-N -1 3 264.703 2.038 20 10 CECDHM C[C@H](C[C@@H]1CCOC1)NC(=O)NCc1c([O-])cccc1F ZINC000921450678 641284393 /nfs/dbraw/zinc/28/43/93/641284393.db2.gz CNEPZBKAAXQEGQ-MNOVXSKESA-N -1 3 296.342 2.146 20 10 CECDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])c(C)n1 ZINC000126481413 650692724 /nfs/dbraw/zinc/69/27/24/650692724.db2.gz KCUVVCGVAFHXMU-UHFFFAOYSA-N -1 3 258.277 2.362 20 10 CECDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])Oc1ccccc1 ZINC000185654855 642011717 /nfs/dbraw/zinc/01/17/17/642011717.db2.gz JKAJYFIWZVEREI-LLVKDONJSA-N -1 3 287.315 2.295 20 10 CECDHM COC(=O)[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])[C@H]1C ZINC000877465851 650732847 /nfs/dbraw/zinc/73/28/47/650732847.db2.gz BWDSSCRGXJQJRZ-WCBMZHEXSA-N -1 3 285.290 2.054 20 10 CECDHM C[C@H]1COCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000922443290 643074373 /nfs/dbraw/zinc/07/43/73/643074373.db2.gz BLIZROBDQVGRFE-QWRGUYRKSA-N -1 3 296.342 2.003 20 10 CECDHM O=C1CCC2=C(CCN(Cc3ccc(F)c(F)c3[O-])C2)N1 ZINC000877620542 650816617 /nfs/dbraw/zinc/81/66/17/650816617.db2.gz SWLIHDHXWVJOHS-UHFFFAOYSA-N -1 3 294.301 2.040 20 10 CECDHM Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1O ZINC000187166736 643719518 /nfs/dbraw/zinc/71/95/18/643719518.db2.gz UCOBETKREMNOSF-UHFFFAOYSA-N -1 3 259.261 2.364 20 10 CECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cnc(C)o2)c1 ZINC000840794101 643971256 /nfs/dbraw/zinc/97/12/56/643971256.db2.gz CRTIEIFWDXZLMG-VIFPVBQESA-N -1 3 290.319 2.326 20 10 CECDHM CC1(C)C[C@@H](O)CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877751493 650894629 /nfs/dbraw/zinc/89/46/29/650894629.db2.gz BSQPLRFIOJOIRQ-SNVBAGLBSA-N -1 3 271.307 2.263 20 10 CECDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cnn(C)c2C)c1 ZINC000756873067 644704073 /nfs/dbraw/zinc/70/40/73/644704073.db2.gz GIJZMOXPYLNKOC-VIFPVBQESA-N -1 3 289.335 2.394 20 10 CECDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H](CO)c2ccsc2)c1 ZINC000769931896 646337006 /nfs/dbraw/zinc/33/70/06/646337006.db2.gz FKAFIPJUOQKFDH-GFCCVEGCSA-N -1 3 294.332 2.185 20 10 CECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)C1(F)F ZINC000862437735 646459324 /nfs/dbraw/zinc/45/93/24/646459324.db2.gz IMLBPMCYALDUIL-DTORHVGOSA-N -1 3 285.290 2.461 20 10 CECDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H](O)C1 ZINC000775638526 646975235 /nfs/dbraw/zinc/97/52/35/646975235.db2.gz JNVRLOSADIINSY-SNVBAGLBSA-N -1 3 259.708 2.141 20 10 CECDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](n2cncn2)C1 ZINC000777219165 647121389 /nfs/dbraw/zinc/12/13/89/647121389.db2.gz CXHUEAZMHUOKTD-NSHDSACASA-N -1 3 296.733 2.223 20 10 CECDHM CCOC(=O)[C@@H]1CSCCN1Cc1cc(F)ccc1[O-] ZINC000778995580 647280308 /nfs/dbraw/zinc/28/03/08/647280308.db2.gz ZIMALEMDPQGMSL-LBPRGKRZSA-N -1 3 299.367 2.012 20 10 CECDHM C[C@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000788270791 648168324 /nfs/dbraw/zinc/16/83/24/648168324.db2.gz RURAHZQUSDUWCY-OIBJUYFYSA-N -1 3 259.708 2.140 20 10 CECDHM CC(C)(NC(=O)c1cccc(O)c1[O-])[C@H]1CCCCO1 ZINC000871168158 649023007 /nfs/dbraw/zinc/02/30/07/649023007.db2.gz CQJGCPRXUCWELM-GFCCVEGCSA-N -1 3 279.336 2.175 20 10 CECDHM Cn1ncc2c1CN(Cc1ccc(Cl)cc1[O-])CC2 ZINC001140465851 802951858 /nfs/dbraw/zinc/95/18/58/802951858.db2.gz SDYJOQKLYUZNHG-UHFFFAOYSA-N -1 3 277.755 2.337 20 10 CECDHM C[C@@]12CN(C(=O)c3cccc(O)c3[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC001117818731 814955973 /nfs/dbraw/zinc/95/59/73/814955973.db2.gz OESDKFGEEHSGFF-PBYNLASCSA-N -1 3 285.343 2.382 20 10 CECDHM O=C(NCC[C@H]1CCCS1)c1cccc(O)c1[O-] ZINC000715971942 815011704 /nfs/dbraw/zinc/01/17/04/815011704.db2.gz GCYCKKPYYKNZJU-SECBINFHSA-N -1 3 267.350 2.113 20 10 CECDHM COC(=O)[C@H]1CCCN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232267088 807238724 /nfs/dbraw/zinc/23/87/24/807238724.db2.gz WEAKVZKJFTVFPV-LLVKDONJSA-N -1 3 299.754 2.192 20 10 CECDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000707134668 809881570 /nfs/dbraw/zinc/88/15/70/809881570.db2.gz JMWZIVIRXKIQSD-SECBINFHSA-N -1 3 286.169 2.375 20 10 CECDHM O=c1[nH]ccc2c1CCN(Cc1c([O-])cccc1F)C2 ZINC001137840270 815695687 /nfs/dbraw/zinc/69/56/87/815695687.db2.gz VCGKYOOGBTZYMI-UHFFFAOYSA-N -1 3 274.295 2.190 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCCC12COC2 ZINC001140341375 816237572 /nfs/dbraw/zinc/23/75/72/816237572.db2.gz KTDRALWUZUBGKE-UHFFFAOYSA-N -1 3 253.729 2.410 20 10 CECDHM Cc1nc(CN(C)Cc2ccc(Cl)cc2[O-])no1 ZINC001140462468 816260734 /nfs/dbraw/zinc/26/07/34/816260734.db2.gz GVLZFBRAVSSOPD-UHFFFAOYSA-N -1 3 267.716 2.369 20 10 CECDHM CN(Cc1cnccn1)Cc1ccc(Cl)cc1[O-] ZINC001140466996 816262013 /nfs/dbraw/zinc/26/20/13/816262013.db2.gz PHTHOFUOZQHDIW-UHFFFAOYSA-N -1 3 263.728 2.468 20 10 CECDHM Cc1ccc(O)cc1C(=O)NCc1c([O-])cccc1F ZINC001178413088 816743965 /nfs/dbraw/zinc/74/39/65/816743965.db2.gz NTYLXJLPQVVOFL-UHFFFAOYSA-N -1 3 275.279 2.475 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCOC2)c1[O-] ZINC000135148798 366400565 /nfs/dbraw/zinc/40/05/65/366400565.db2.gz NEQJPNXONGSXJC-GFCCVEGCSA-N -1 3 283.755 2.469 20 10 CECDHM CCOC(=O)[C@H]1CCCCN1Cc1ccccc1[O-] ZINC000004616420 361324482 /nfs/dbraw/zinc/32/44/82/361324482.db2.gz FPBGQOZZSUJTKU-CYBMUJFWSA-N -1 3 263.337 2.310 20 10 CECDHM NC(=O)CC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179720305 368349272 /nfs/dbraw/zinc/34/92/72/368349272.db2.gz GIRZUARAGUFXEG-UHFFFAOYSA-N -1 3 282.771 2.133 20 10 CECDHM CN(Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1[O-] ZINC000185033093 368738294 /nfs/dbraw/zinc/73/82/94/368738294.db2.gz UZSZNAQHEMBYHV-UHFFFAOYSA-N -1 3 298.346 2.413 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC(C)(CO)CC2)c1[O-] ZINC000186933908 369071004 /nfs/dbraw/zinc/07/10/04/369071004.db2.gz DXFUWWCTXSSKGK-UHFFFAOYSA-N -1 3 295.354 2.328 20 10 CECDHM COC(=O)[C@@]1(C)CCCN1Cc1cc(F)ccc1[O-] ZINC000189994381 369586140 /nfs/dbraw/zinc/58/61/40/369586140.db2.gz YTLRYMSXRCGXMV-CQSZACIVSA-N -1 3 267.300 2.059 20 10 CECDHM CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2ccccc2[O-])C1 ZINC000190144578 369599685 /nfs/dbraw/zinc/59/96/85/369599685.db2.gz GNUMFMBTXTXXMK-STQMWFEESA-N -1 3 289.335 2.046 20 10 CECDHM Cn1cc([C@H]2CSCCN2Cc2ccccc2[O-])cn1 ZINC000191735228 369737627 /nfs/dbraw/zinc/73/76/27/369737627.db2.gz UBRXFEBYCRWTOH-CQSZACIVSA-N -1 3 289.404 2.416 20 10 CECDHM Cc1cc(Cl)cc(CN2CCCN(C)C(=O)C2)c1[O-] ZINC000191661197 369730746 /nfs/dbraw/zinc/73/07/46/369730746.db2.gz IAMOZINBVIVORP-UHFFFAOYSA-N -1 3 282.771 2.018 20 10 CECDHM Cc1noc(C)c1C[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000193081799 369890434 /nfs/dbraw/zinc/89/04/34/369890434.db2.gz RLESXGWUDGXJAI-MRVPVSSYSA-N -1 3 290.319 2.064 20 10 CECDHM CC(C)OCCCCNC(=O)c1cccc(O)c1[O-] ZINC000193159583 369900422 /nfs/dbraw/zinc/90/04/22/369900422.db2.gz WCOLWVRXTWSNJN-UHFFFAOYSA-N -1 3 267.325 2.033 20 10 CECDHM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(F)ccc1[O-] ZINC000248835407 371252699 /nfs/dbraw/zinc/25/26/99/371252699.db2.gz MHPRNXJMKIWPBL-XEGUGMAKSA-N -1 3 293.338 2.305 20 10 CECDHM CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000189412272 284302591 /nfs/dbraw/zinc/30/25/91/284302591.db2.gz QAVQWWOZQSWLPO-DTWKUNHWSA-N -1 3 286.322 2.188 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000367319922 373147485 /nfs/dbraw/zinc/14/74/85/373147485.db2.gz ZCBFUQUOMUVGTC-TZMCWYRMSA-N -1 3 297.420 2.352 20 10 CECDHM [O-]c1c(F)cccc1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000272240429 373377881 /nfs/dbraw/zinc/37/78/81/373377881.db2.gz GJELODGCTPPVCC-LLVKDONJSA-N -1 3 279.233 2.030 20 10 CECDHM C[C@H](NCc1ccn(C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273557679 373765067 /nfs/dbraw/zinc/76/50/67/373765067.db2.gz HFAPTJLNYDBUFA-JTQLQIEISA-N -1 3 275.308 2.490 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H](C)C2)c1[O-] ZINC000374351428 374548222 /nfs/dbraw/zinc/54/82/22/374548222.db2.gz CIHHSNJUYBTYFB-JTQLQIEISA-N -1 3 281.327 2.202 20 10 CECDHM C[C@@H](NCc1cc2c(cc1[O-])OCO2)C(F)(F)F ZINC000288349794 376375749 /nfs/dbraw/zinc/37/57/49/376375749.db2.gz BXJLBIOFZPAYRF-ZCFIWIBFSA-N -1 3 263.215 2.161 20 10 CECDHM CC(C)[C@@H](NCc1cc(F)ccc1[O-])c1nncn1C ZINC000289316139 376390890 /nfs/dbraw/zinc/39/08/90/376390890.db2.gz FFCNUVNSBKVHII-CYBMUJFWSA-N -1 3 278.331 2.147 20 10 CECDHM CC1(CNCc2cc(Cl)c(F)cc2[O-])OCCO1 ZINC000293575729 377639643 /nfs/dbraw/zinc/63/96/43/377639643.db2.gz JKINLLXVXGNFHC-UHFFFAOYSA-N -1 3 275.707 2.037 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)CC(C)(C)CO)c1[O-] ZINC000295206500 378050716 /nfs/dbraw/zinc/05/07/16/378050716.db2.gz LOHSWZGCWNFMEU-UHFFFAOYSA-N -1 3 283.343 2.184 20 10 CECDHM CCN(Cc1cc(Cl)cc(C)c1[O-])[C@@H]1CCNC1=O ZINC000281844074 394861248 /nfs/dbraw/zinc/86/12/48/394861248.db2.gz TXRRRDHIPZYTDA-GFCCVEGCSA-N -1 3 282.771 2.064 20 10 CECDHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ncc[nH]2)c([O-])c1O ZINC000373311381 395058378 /nfs/dbraw/zinc/05/83/78/395058378.db2.gz PZAQWKLVDAOFME-LLVKDONJSA-N -1 3 287.319 2.107 20 10 CECDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCO2)c([O-])c1O ZINC000375976000 395105478 /nfs/dbraw/zinc/10/54/78/395105478.db2.gz SPTALUMAVYUMSQ-OLZOCXBDSA-N -1 3 291.347 2.190 20 10 CECDHM CCCN(Cc1nc(COC)no1)Cc1ccccc1[O-] ZINC000182374159 395240733 /nfs/dbraw/zinc/24/07/33/395240733.db2.gz SDRTWUPKJLCGDM-UHFFFAOYSA-N -1 3 291.351 2.334 20 10 CECDHM Cc1ccc(C(=O)N2CCOC[C@H]2CC(C)C)c([O-])c1O ZINC000179499142 395194983 /nfs/dbraw/zinc/19/49/83/395194983.db2.gz ABKCVJZABQJMNO-GFCCVEGCSA-N -1 3 293.363 2.293 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCOC3(CCC3)C2)c1[O-] ZINC000154210116 261089304 /nfs/dbraw/zinc/08/93/04/261089304.db2.gz GOKHSASNRHTOQR-UHFFFAOYSA-N -1 3 293.338 2.489 20 10 CECDHM Cc1ccc(C(=O)N2CCCO[C@H]3CCC[C@H]32)c([O-])c1O ZINC000370367078 267312335 /nfs/dbraw/zinc/31/23/35/267312335.db2.gz SMGUPWYCTNZNAZ-OLZOCXBDSA-N -1 3 291.347 2.190 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1CCOC[C@]12CCOC2 ZINC000370736812 267343050 /nfs/dbraw/zinc/34/30/50/267343050.db2.gz HCJLVHMEJJYBNH-GOEBONIOSA-N -1 3 277.364 2.335 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377709675 329026249 /nfs/dbraw/zinc/02/62/49/329026249.db2.gz ZGDGDKWTMBQIAX-HIFRSBDPSA-N -1 3 297.782 2.425 20 10 CECDHM COc1cc(Cl)cc(CN(C)Cc2nccn2C)c1[O-] ZINC000228677714 329059347 /nfs/dbraw/zinc/05/93/47/329059347.db2.gz GPEDJIHGGKQYEE-UHFFFAOYSA-N -1 3 295.770 2.420 20 10 CECDHM Cc1ccc(C(=O)N2CCn3cccc3[C@@H]2C)c([O-])c1O ZINC000177668799 329188767 /nfs/dbraw/zinc/18/87/67/329188767.db2.gz SBPIMUFUZGAASP-NSHDSACASA-N -1 3 286.331 2.425 20 10 CECDHM CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(F)cc1[O-] ZINC000188476408 520213855 /nfs/dbraw/zinc/21/38/55/520213855.db2.gz YESBITJUGQZRDO-UWVGGRQHSA-N -1 3 268.332 2.049 20 10 CECDHM CCCCN1CC(=O)N[C@H]1c1cc(OCC)ccc1[O-] ZINC000298772312 520567215 /nfs/dbraw/zinc/56/72/15/520567215.db2.gz FSCXCYDZOBZPTQ-OAHLLOKOSA-N -1 3 278.352 2.021 20 10 CECDHM CC[C@@H]1CN(Cc2ccccc2[O-])C[C@@H](C)[S@]1=O ZINC000289586367 523455692 /nfs/dbraw/zinc/45/56/92/523455692.db2.gz KFAVSSOQVPJPMO-BVRBVLIYSA-N -1 3 267.394 2.124 20 10 CECDHM Cc1ccc([C@@H](C)N[C@H](C)c2ncnn2C)c([O-])c1 ZINC000276696571 525748175 /nfs/dbraw/zinc/74/81/75/525748175.db2.gz VJSYLONPISXSBX-GHMZBOCLSA-N -1 3 260.341 2.241 20 10 CECDHM Cc1ccc(C(=O)N2CCO[C@@H](C(C)(C)C)C2)c([O-])c1O ZINC000279753968 526119267 /nfs/dbraw/zinc/11/92/67/526119267.db2.gz LITCDEXUJBFBQW-GFCCVEGCSA-N -1 3 293.363 2.293 20 10 CECDHM Cc1ccc(C(=O)Nc2cc(C3CC3)n(C)n2)c([O-])c1O ZINC000292517315 526218499 /nfs/dbraw/zinc/21/84/99/526218499.db2.gz BKZHQGZYAUSWJQ-UHFFFAOYSA-N -1 3 287.319 2.269 20 10 CECDHM COc1cccc(C[NH2+]C2CCC(NC(=O)[O-])CC2)c1[O-] ZINC000739943609 574433214 /nfs/dbraw/zinc/43/32/14/574433214.db2.gz DVLNMYPUZQRKSG-UHFFFAOYSA-N -1 3 294.351 2.069 20 10 CECDHM O=C(C1CC1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000728299124 574463882 /nfs/dbraw/zinc/46/38/82/574463882.db2.gz BMUQYLSUIQPFHW-UHFFFAOYSA-N -1 3 294.782 2.100 20 10 CECDHM CCc1nnc(NC(=O)c2cc([O-])cs2)s1 ZINC000731867575 574604847 /nfs/dbraw/zinc/60/48/47/574604847.db2.gz MTHHVCKVQHFWQQ-UHFFFAOYSA-N -1 3 255.324 2.120 20 10 CECDHM CNC(=O)c1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000731867372 574604878 /nfs/dbraw/zinc/60/48/78/574604878.db2.gz HYJAGPRKPPSTKR-UHFFFAOYSA-N -1 3 276.317 2.066 20 10 CECDHM CN(Cc1nccn1C(F)F)C(=O)c1cc([O-])cs1 ZINC000732267936 574616550 /nfs/dbraw/zinc/61/65/50/574616550.db2.gz CMZVZWHKQZBUGH-UHFFFAOYSA-N -1 3 287.291 2.318 20 10 CECDHM O=C(OCc1noc(C2CC2)n1)c1cc([O-])cs1 ZINC000732353136 574619451 /nfs/dbraw/zinc/61/94/51/574619451.db2.gz LVJYHHMMJCZDKN-UHFFFAOYSA-N -1 3 266.278 2.071 20 10 CECDHM Cc1nnc([C@@H](C)OC(=O)c2cc([O-])cs2)o1 ZINC000732353724 574619571 /nfs/dbraw/zinc/61/95/71/574619571.db2.gz SXUKGZOFMMAXJL-RXMQYKEDSA-N -1 3 254.267 2.063 20 10 CECDHM Cc1cccn2cc(CNC(=O)c3cc([O-])cs3)nc12 ZINC000736673033 574794317 /nfs/dbraw/zinc/79/43/17/574794317.db2.gz DONQZNBBTNHSPE-UHFFFAOYSA-N -1 3 287.344 2.340 20 10 CECDHM CCOc1ccc([C@H]2NC3(CCCC3)C(=O)N2C)c([O-])c1 ZINC000742441888 575022180 /nfs/dbraw/zinc/02/21/80/575022180.db2.gz LYVZUJDHXIFHOL-AWEZNQCLSA-N -1 3 290.363 2.164 20 10 CECDHM O=C(Nc1cnn(CC2CC2)c1)c1cc([O-])cs1 ZINC000743807705 575109717 /nfs/dbraw/zinc/10/97/17/575109717.db2.gz SCTSVFGCSRSVSS-UHFFFAOYSA-N -1 3 263.322 2.313 20 10 CECDHM CCOc1cccc(NC(=O)c2cc([O-])cs2)n1 ZINC000746694180 575162911 /nfs/dbraw/zinc/16/29/11/575162911.db2.gz PZGHFQJQWKSPGK-UHFFFAOYSA-N -1 3 264.306 2.500 20 10 CECDHM CCC(CC)(CNC(=O)c1cc([O-])cs1)C(=O)OC ZINC000752630879 575313041 /nfs/dbraw/zinc/31/30/41/575313041.db2.gz OEARFBDCGMMTSD-UHFFFAOYSA-N -1 3 285.365 2.163 20 10 CECDHM O=C([O-])NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834214568 605568295 /nfs/dbraw/zinc/56/82/95/605568295.db2.gz HUVMHLVWBZYRIZ-JTQLQIEISA-N -1 3 282.315 2.011 20 10 CECDHM O=C([O-])NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834214568 605568298 /nfs/dbraw/zinc/56/82/98/605568298.db2.gz HUVMHLVWBZYRIZ-JTQLQIEISA-N -1 3 282.315 2.011 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@H](CF)C1 ZINC000840955822 628877741 /nfs/dbraw/zinc/87/77/41/628877741.db2.gz ZZMHWBOJRTYCOS-SECBINFHSA-N -1 3 259.708 2.216 20 10 CECDHM CCCCCN(CC(N)=O)Cc1cc(F)cc(F)c1[O-] ZINC000894430986 629456226 /nfs/dbraw/zinc/45/62/26/629456226.db2.gz IHVPTGYWFPOGJD-UHFFFAOYSA-N -1 3 286.322 2.148 20 10 CECDHM CC1(C)C[C@@H](O)CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895460657 630202902 /nfs/dbraw/zinc/20/29/02/630202902.db2.gz QLRNHDVXEUOTTB-LLVKDONJSA-N -1 3 271.307 2.263 20 10 CECDHM O=C(Nc1ccc(OC(F)F)nc1)c1cccc(O)c1[O-] ZINC000802402792 631429175 /nfs/dbraw/zinc/42/91/75/631429175.db2.gz YPVUERKFZCDWHW-UHFFFAOYSA-N -1 3 296.229 2.347 20 10 CECDHM CC[C@H](NCc1cnn(C)n1)c1cc(Cl)ccc1[O-] ZINC000806168679 631723058 /nfs/dbraw/zinc/72/30/58/631723058.db2.gz WRQJDZJDRGSGAR-LBPRGKRZSA-N -1 3 280.759 2.415 20 10 CECDHM CC1(C)CCN(Cc2cccc(F)c2[O-])CC[S@@]1=O ZINC000322101101 631723060 /nfs/dbraw/zinc/72/30/60/631723060.db2.gz JFZJLATVLMETIR-IBGZPJMESA-N -1 3 285.384 2.264 20 10 CECDHM Cc1nonc1CNCc1cccc(Br)c1[O-] ZINC000809744758 632138409 /nfs/dbraw/zinc/13/84/09/632138409.db2.gz BNWPKTUJDMQCGZ-UHFFFAOYSA-N -1 3 298.140 2.136 20 10 CECDHM Cc1cc([O-])c(CN2C[C@@H](CO)OC(C)(C)C2)cc1Cl ZINC000826131462 635764868 /nfs/dbraw/zinc/76/48/68/635764868.db2.gz SZIHBEDDURBJDX-LBPRGKRZSA-N -1 3 299.798 2.326 20 10 CECDHM CC(C)(CC[NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC000818628875 633964556 /nfs/dbraw/zinc/96/45/56/633964556.db2.gz DFOQPCWEZKTKGR-UHFFFAOYSA-N -1 3 255.289 2.122 20 10 CECDHM Cc1cc([O-])c(CN2CCN3C(=O)CC[C@@H]3C2)cc1Cl ZINC000824650904 635469379 /nfs/dbraw/zinc/46/93/79/635469379.db2.gz YMVYPLVXDXHRFK-GFCCVEGCSA-N -1 3 294.782 2.161 20 10 CECDHM C[C@@H]1C[C@H](O)CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000825316907 635613220 /nfs/dbraw/zinc/61/32/20/635613220.db2.gz YAJUIJIMOCYMFL-BDAKNGLRSA-N -1 3 273.735 2.387 20 10 CECDHM Cc1cc([O-])c(CN2CCO[C@@H]3C[C@@H]32)cc1Cl ZINC000825964853 635738832 /nfs/dbraw/zinc/73/88/32/635738832.db2.gz UAHAZDQTKPZQDO-WCQYABFASA-N -1 3 253.729 2.327 20 10 CECDHM [O-]c1cccc(F)c1CNC(=S)NC1CCC1 ZINC000905660629 636369084 /nfs/dbraw/zinc/36/90/84/636369084.db2.gz HYWOKYBHHJXVOA-UHFFFAOYSA-N -1 3 254.330 2.048 20 10 CECDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])C1(O)CCCC1 ZINC000837110644 639061687 /nfs/dbraw/zinc/06/16/87/639061687.db2.gz PDIWTJYDRKCVOQ-UHFFFAOYSA-N -1 3 293.363 2.159 20 10 CECDHM COc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000126233504 650478926 /nfs/dbraw/zinc/47/89/26/650478926.db2.gz WVZWUJAHVXDCNU-UHFFFAOYSA-N -1 3 259.261 2.359 20 10 CECDHM CC1(C)CO[C@@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000923969095 639278481 /nfs/dbraw/zinc/27/84/81/639278481.db2.gz WAMWXSVRBXTJEO-SNVBAGLBSA-N -1 3 296.342 2.146 20 10 CECDHM CCc1cc(CNCc2ccc(F)c(F)c2[O-])[nH]n1 ZINC000877033450 650540308 /nfs/dbraw/zinc/54/03/08/650540308.db2.gz AEKOIQWHKAJPEZ-UHFFFAOYSA-N -1 3 267.279 2.246 20 10 CECDHM Cc1ccc(CCNC(=O)NCc2c([O-])cccc2F)o1 ZINC000914101964 640222405 /nfs/dbraw/zinc/22/24/05/640222405.db2.gz IDLLQUFGRQWMBA-UHFFFAOYSA-N -1 3 292.310 2.475 20 10 CECDHM COc1cc(F)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000126321866 650565964 /nfs/dbraw/zinc/56/59/64/650565964.db2.gz GTNMBPMTXVOTRS-UHFFFAOYSA-N -1 3 277.251 2.498 20 10 CECDHM O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC000126354641 650578657 /nfs/dbraw/zinc/57/86/57/650578657.db2.gz XKDBAXDMGYLPGW-OLZOCXBDSA-N -1 3 269.300 2.384 20 10 CECDHM CCc1nc([C@@H](C)NCc2ccc(F)c(F)c2[O-])n[nH]1 ZINC000877131390 650587026 /nfs/dbraw/zinc/58/70/26/650587026.db2.gz YXHBIYGEUBVXRY-SSDOTTSWSA-N -1 3 282.294 2.202 20 10 CECDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CC=CCC1 ZINC000919486973 641049140 /nfs/dbraw/zinc/04/91/40/641049140.db2.gz OJYSIMATLKCICW-JTQLQIEISA-N -1 3 264.300 2.439 20 10 CECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CC=CCC1 ZINC000919486974 641049238 /nfs/dbraw/zinc/04/92/38/641049238.db2.gz OJYSIMATLKCICW-SNVBAGLBSA-N -1 3 264.300 2.439 20 10 CECDHM CCC[C@@H](C)S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452685 641285038 /nfs/dbraw/zinc/28/50/38/641285038.db2.gz WKCYWZWLDTZXBX-SECBINFHSA-N -1 3 275.345 2.139 20 10 CECDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(C)n1 ZINC000179545374 641362677 /nfs/dbraw/zinc/36/26/77/641362677.db2.gz CRJFGFHZEHBOJL-UHFFFAOYSA-N -1 3 288.303 2.371 20 10 CECDHM COCCC1(CNC(=O)NCc2c([O-])cccc2F)CC1 ZINC000921538183 642214803 /nfs/dbraw/zinc/21/48/03/642214803.db2.gz HXALBOJZNWADMR-UHFFFAOYSA-N -1 3 296.342 2.147 20 10 CECDHM CS[C@@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC000921613512 642258735 /nfs/dbraw/zinc/25/87/35/642258735.db2.gz ILOOZUJYDYTTTR-QMMMGPOBSA-N -1 3 272.345 2.082 20 10 CECDHM CS[C@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC000921613511 642258900 /nfs/dbraw/zinc/25/89/00/642258900.db2.gz ILOOZUJYDYTTTR-MRVPVSSYSA-N -1 3 272.345 2.082 20 10 CECDHM C[C@H](Cc1ccc(O)c(O)c1)[N-]C(=O)C(F)(F)C(F)F ZINC000186441396 642538162 /nfs/dbraw/zinc/53/81/62/642538162.db2.gz BBQPQIVUUFBFKP-ZCFIWIBFSA-N -1 3 295.232 2.045 20 10 CECDHM CC(C)c1nc(CNCc2ccc(F)c(F)c2[O-])n[nH]1 ZINC000877559997 650789327 /nfs/dbraw/zinc/78/93/27/650789327.db2.gz CKVJOOZMIVUTED-UHFFFAOYSA-N -1 3 282.294 2.202 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]3COC[C@@H]32)c1[O-] ZINC000839194690 644186065 /nfs/dbraw/zinc/18/60/65/644186065.db2.gz UFRKLISJUARWTF-ABAIWWIYSA-N -1 3 293.338 2.345 20 10 CECDHM O=C1N[C@@H](c2cc(F)ccc2[O-])N2CCc3ccccc3[C@@H]12 ZINC000877856469 650931463 /nfs/dbraw/zinc/93/14/63/650931463.db2.gz SLQNSYOBYRLCPP-JKSUJKDBSA-N -1 3 298.317 2.259 20 10 CECDHM CCn1nncc1CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000858440271 645159601 /nfs/dbraw/zinc/15/96/01/645159601.db2.gz PENBPANJKZSNBB-MRVPVSSYSA-N -1 3 282.294 2.133 20 10 CECDHM CCC1(CC)[C@H](NC(=O)c2cccc(O)c2[O-])C[C@H]1OC ZINC000776678312 647081989 /nfs/dbraw/zinc/08/19/89/647081989.db2.gz SQGPWJOCDHNRRY-CHWSQXEVSA-N -1 3 293.363 2.421 20 10 CECDHM [O-]c1cccc(Cl)c1CN1C[C@H](O)CC(F)(F)C1 ZINC000787438413 648109140 /nfs/dbraw/zinc/10/91/40/648109140.db2.gz QSULWAYIROEVKK-MRVPVSSYSA-N -1 3 277.698 2.248 20 10 CECDHM CN(Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCOC1 ZINC000792167655 648618233 /nfs/dbraw/zinc/61/82/33/648618233.db2.gz NWFVTDSFSRAJBC-MRVPVSSYSA-N -1 3 259.708 2.405 20 10 CECDHM C[C@H]1C[C@H](O)CN1Cc1c([O-])ccc(Cl)c1F ZINC000792178052 648619695 /nfs/dbraw/zinc/61/96/95/648619695.db2.gz BMONHJFPXHJTOK-YUMQZZPRSA-N -1 3 259.708 2.140 20 10 CECDHM CC(C)c1nsc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000874694550 649806258 /nfs/dbraw/zinc/80/62/58/649806258.db2.gz SWNXDKGDJUOMAZ-UHFFFAOYSA-N -1 3 279.321 2.325 20 10 CECDHM CO[C@@H](C)C1CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530339 806622605 /nfs/dbraw/zinc/62/26/05/806622605.db2.gz DYJPQFKDEGXRSU-QMMMGPOBSA-N -1 3 257.280 2.137 20 10 CECDHM C[C@H](NCc1cc(Cl)ccc1[O-])c1nnc2n1CCC2 ZINC000037149509 815018163 /nfs/dbraw/zinc/01/81/63/815018163.db2.gz HUYRDJXSMSYOFZ-VIFPVBQESA-N -1 3 292.770 2.434 20 10 CECDHM CC1(C)C[C@H](NC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000921646171 808734599 /nfs/dbraw/zinc/73/45/99/808734599.db2.gz WALURSLEFRWJBM-SNVBAGLBSA-N -1 3 296.342 2.288 20 10 CECDHM Cc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1O ZINC001148588069 814591675 /nfs/dbraw/zinc/59/16/75/814591675.db2.gz NGNGGCNHMWAGRN-UHFFFAOYSA-N -1 3 275.260 2.070 20 10 CECDHM CC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC001138060730 815722804 /nfs/dbraw/zinc/72/28/04/815722804.db2.gz IDFIWVMINALSFQ-CQSZACIVSA-N -1 3 299.326 2.028 20 10 CECDHM CCN(CCn1cccn1)Cc1c(F)ccc(F)c1[O-] ZINC001139686248 816083410 /nfs/dbraw/zinc/08/34/10/816083410.db2.gz RAQBXMARSNXYHN-UHFFFAOYSA-N -1 3 281.306 2.389 20 10 CECDHM CCO[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686880 816083435 /nfs/dbraw/zinc/08/34/35/816083435.db2.gz HSZYWPYZCUZSLF-SECBINFHSA-N -1 3 257.280 2.281 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@H](O)CC1 ZINC001140582103 816291765 /nfs/dbraw/zinc/29/17/65/816291765.db2.gz DDIVMCZXAKSIAW-JTQLQIEISA-N -1 3 257.280 2.017 20 10 CECDHM CCO[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140584180 816292723 /nfs/dbraw/zinc/29/27/23/816292723.db2.gz HIHFZNPDFZSCNA-SNVBAGLBSA-N -1 3 257.280 2.281 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CCC(F)(F)[C@H](CO)C1 ZINC001142508568 816678008 /nfs/dbraw/zinc/67/80/08/816678008.db2.gz CZFRKVCKAZBHBF-VIFPVBQESA-N -1 3 293.260 2.120 20 10 CECDHM Cc1cnc(C(=O)NCc2c([O-])cccc2F)c(C)c1 ZINC001178416267 816743194 /nfs/dbraw/zinc/74/31/94/816743194.db2.gz CCDJQMRBEKEEIT-UHFFFAOYSA-N -1 3 274.295 2.473 20 10 CECDHM Cc1cccc(N(C)C(=O)/C=C/c2cncc([O-])c2)n1 ZINC000493468004 290827640 /nfs/dbraw/zinc/82/76/40/290827640.db2.gz UITDOQFEJGRLEA-VOTSOKGWSA-N -1 3 269.304 2.167 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000091927161 364072305 /nfs/dbraw/zinc/07/23/05/364072305.db2.gz DRFJROCLRRZGKU-LSDHHAIUSA-N -1 3 297.782 2.425 20 10 CECDHM CCC(=O)N1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000092186985 364075180 /nfs/dbraw/zinc/07/51/80/364075180.db2.gz JYHBWTNZQZRFCQ-UHFFFAOYSA-N -1 3 296.798 2.490 20 10 CECDHM CC(C)C(=O)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179948558 368359842 /nfs/dbraw/zinc/35/98/42/368359842.db2.gz AZXJURLTPMECER-UHFFFAOYSA-N -1 3 294.370 2.222 20 10 CECDHM CCc1nc(CCNC(=O)c2cccc(O)c2[O-])cs1 ZINC000188363713 369343176 /nfs/dbraw/zinc/34/31/76/369343176.db2.gz SHQGKTPNWAXGSM-UHFFFAOYSA-N -1 3 292.360 2.089 20 10 CECDHM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(F)ccc1[O-] ZINC000191674291 369732362 /nfs/dbraw/zinc/73/23/62/369732362.db2.gz MHPRNXJMKIWPBL-DGFSRKRXSA-N -1 3 293.338 2.305 20 10 CECDHM CC(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000193128180 369897367 /nfs/dbraw/zinc/89/73/67/369897367.db2.gz QBNRMKAMMVJUBS-NHYWBVRUSA-N -1 3 293.363 2.279 20 10 CECDHM Cc1ccc(C(=O)NCCCC(F)(F)F)c([O-])c1O ZINC000272765057 373647544 /nfs/dbraw/zinc/64/75/44/373647544.db2.gz RACRGKCKTHCPIW-UHFFFAOYSA-N -1 3 277.242 2.479 20 10 CECDHM C[C@@H](NCc1nncn1C)c1cc(Cl)ccc1[O-] ZINC000273407669 373755854 /nfs/dbraw/zinc/75/58/54/373755854.db2.gz OYAAPHKCTXPDCG-MRVPVSSYSA-N -1 3 266.732 2.025 20 10 CECDHM CC[C@@H](NCC(=O)NC(C)C)c1ccc(F)cc1[O-] ZINC000285551604 375840293 /nfs/dbraw/zinc/84/02/93/375840293.db2.gz GQHQOKXCWFKBFG-GFCCVEGCSA-N -1 3 268.332 2.097 20 10 CECDHM CO[C@@H](C)CN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000285626995 375841950 /nfs/dbraw/zinc/84/19/50/375841950.db2.gz KQBWNNXHICDQHB-VIFPVBQESA-N -1 3 269.316 2.201 20 10 CECDHM CN1CCCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295026685 378035943 /nfs/dbraw/zinc/03/59/43/378035943.db2.gz XBYVEPDUMDMPAA-UHFFFAOYSA-N -1 3 272.751 2.322 20 10 CECDHM CCCOc1ccc(CN2CCOC[C@H]2C)c([O-])c1 ZINC000132180037 394926030 /nfs/dbraw/zinc/92/60/30/394926030.db2.gz QVCQWBLMXPLVLK-GFCCVEGCSA-N -1 3 265.353 2.402 20 10 CECDHM CCOC1CC2(C1)CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000376429842 395120734 /nfs/dbraw/zinc/12/07/34/395120734.db2.gz VGGHGQDPNOKVQP-UHFFFAOYSA-N -1 3 291.347 2.129 20 10 CECDHM Cc1ccc(C(=O)N(C)CCC2CCOCC2)c([O-])c1O ZINC000182597455 395245272 /nfs/dbraw/zinc/24/52/72/395245272.db2.gz SPQXRZKXDZESGN-UHFFFAOYSA-N -1 3 293.363 2.295 20 10 CECDHM Cc1ccc(C(=O)NC[C@]2(C)CCCS2)c([O-])c1O ZINC000182601496 395245709 /nfs/dbraw/zinc/24/57/09/395245709.db2.gz KTOBIQKWTQKNCX-AWEZNQCLSA-N -1 3 281.377 2.422 20 10 CECDHM CCCCN(Cc1ccccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179553094 395195277 /nfs/dbraw/zinc/19/52/77/395195277.db2.gz AZKUDQCVAGPEOM-AWEZNQCLSA-N -1 3 297.420 2.181 20 10 CECDHM Cc1cc(Cl)cc(CN2CCCC[C@@H]2C(N)=O)c1[O-] ZINC000179581911 395197300 /nfs/dbraw/zinc/19/73/00/395197300.db2.gz VBHCXMJJDCZSKI-GFCCVEGCSA-N -1 3 282.771 2.194 20 10 CECDHM COC[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000081072268 260182222 /nfs/dbraw/zinc/18/22/22/260182222.db2.gz PMLSRYJEDAJEPX-LLVKDONJSA-N -1 3 281.327 2.202 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@H]3CC[C@@H](C2)O3)c1[O-] ZINC000090906622 260263741 /nfs/dbraw/zinc/26/37/41/260263741.db2.gz MDHSSOJYOLDTPN-BETUJISGSA-N -1 3 279.311 2.097 20 10 CECDHM Cc1ccc(C(=O)NC[C@@]2(C)CCCC[C@H]2O)c([O-])c1O ZINC000179535790 261793691 /nfs/dbraw/zinc/79/36/91/261793691.db2.gz XAMGGNAJOYEBEW-MLGOLLRUSA-N -1 3 293.363 2.077 20 10 CECDHM CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCS1 ZINC000187150612 262126789 /nfs/dbraw/zinc/12/67/89/262126789.db2.gz SGFCDWZPZSTRDA-LBPRGKRZSA-N -1 3 281.377 2.311 20 10 CECDHM COC(=O)[C@@H](C)N(C)Cc1cc(Cl)cc(C)c1[O-] ZINC000280752753 263064098 /nfs/dbraw/zinc/06/40/98/263064098.db2.gz DWIUNGQDFSDODX-SECBINFHSA-N -1 3 271.744 2.347 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1CCS(=O)(=O)CC[C@H]1C ZINC000368037444 267140267 /nfs/dbraw/zinc/14/02/67/267140267.db2.gz MXDOUGVERNGSHZ-OCCSQVGLSA-N -1 3 297.420 2.352 20 10 CECDHM CC1(C)[C@H](NC(=O)c2cccc(O)c2[O-])[C@@H]2CCCO[C@@H]21 ZINC000370498564 267324254 /nfs/dbraw/zinc/32/42/54/267324254.db2.gz HQOCBVIREAQORZ-GDLCADMTSA-N -1 3 291.347 2.031 20 10 CECDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@H](O)C2(CC2)C1 ZINC000370687150 267340214 /nfs/dbraw/zinc/34/02/14/267340214.db2.gz BLOYNWHAWDFCPD-NSHDSACASA-N -1 3 271.719 2.141 20 10 CECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCC1(F)F ZINC000290753306 288045715 /nfs/dbraw/zinc/04/57/15/288045715.db2.gz APDRIFZQQYYVQE-MRVPVSSYSA-N -1 3 271.263 2.215 20 10 CECDHM CC[C@H](NCc1cnnn1C)c1cccc(Cl)c1[O-] ZINC000287178678 288051318 /nfs/dbraw/zinc/05/13/18/288051318.db2.gz CNQZKNFIYMZLNB-LBPRGKRZSA-N -1 3 280.759 2.415 20 10 CECDHM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc(O)c1[O-] ZINC000403472979 327515733 /nfs/dbraw/zinc/51/57/33/327515733.db2.gz PHGCYQRDWZFMEO-MXWKQRLJSA-N -1 3 261.321 2.264 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](C)[C@@H]2CO)c1[O-] ZINC000227057922 333275430 /nfs/dbraw/zinc/27/54/30/333275430.db2.gz VBZBHVZEULKVDE-XPTSAGLGSA-N -1 3 297.782 2.451 20 10 CECDHM COC(=O)[C@H](C)N(C)Cc1c([O-])cccc1Cl ZINC000280997354 523876352 /nfs/dbraw/zinc/87/63/52/523876352.db2.gz XKWYXVJNBNQTMG-QMMMGPOBSA-N -1 3 257.717 2.039 20 10 CECDHM COC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(F)ccc1[O-] ZINC000274895484 523988216 /nfs/dbraw/zinc/98/82/16/523988216.db2.gz FSDKHJHPBZQUHO-ZWNOBZJWSA-N -1 3 281.327 2.305 20 10 CECDHM C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739715752 574508328 /nfs/dbraw/zinc/50/83/28/574508328.db2.gz QORBASKDUAXEGJ-GFCCVEGCSA-N -1 3 278.352 2.214 20 10 CECDHM C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739715752 574508329 /nfs/dbraw/zinc/50/83/29/574508329.db2.gz QORBASKDUAXEGJ-GFCCVEGCSA-N -1 3 278.352 2.214 20 10 CECDHM CN(C)C(=O)c1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000731867481 574604963 /nfs/dbraw/zinc/60/49/63/574604963.db2.gz LODKMGCHWMDWEQ-UHFFFAOYSA-N -1 3 290.344 2.408 20 10 CECDHM O=C(NCCc1nc2ccccc2[nH]1)c1cc([O-])cs1 ZINC000732258323 574616115 /nfs/dbraw/zinc/61/61/15/574616115.db2.gz SDMPSZCWNOETJA-UHFFFAOYSA-N -1 3 287.344 2.303 20 10 CECDHM CCCCN(CCOC)C(=O)c1cc([O-])cs1 ZINC000732290937 574618339 /nfs/dbraw/zinc/61/83/39/574618339.db2.gz JEUVANKJAABOPQ-UHFFFAOYSA-N -1 3 257.355 2.342 20 10 CECDHM O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cc([O-])cs1 ZINC000732273242 574616904 /nfs/dbraw/zinc/61/69/04/574616904.db2.gz OCIXDOSCQOCHPD-NSHDSACASA-N -1 3 293.348 2.082 20 10 CECDHM C[C@H](Cc1ccco1)NC(=O)c1cc([O-])cs1 ZINC000732271678 574616973 /nfs/dbraw/zinc/61/69/73/574616973.db2.gz OJCYFKOWMRTDER-MRVPVSSYSA-N -1 3 251.307 2.408 20 10 CECDHM O=C(OCc1nnc(C2CC2)o1)c1cc([O-])cs1 ZINC000732353406 574619364 /nfs/dbraw/zinc/61/93/64/574619364.db2.gz HCTOSXXRGZYMOV-UHFFFAOYSA-N -1 3 266.278 2.071 20 10 CECDHM CC[N@H+](CCC(=O)[O-])Cc1cc2c(cc1[O-])CCC2 ZINC000737095997 574809334 /nfs/dbraw/zinc/80/93/34/574809334.db2.gz HDAORAPWZQSANH-UHFFFAOYSA-N -1 3 263.337 2.178 20 10 CECDHM CC[N@@H+](CCC(=O)[O-])Cc1cc2c(cc1[O-])CCC2 ZINC000737095997 574809335 /nfs/dbraw/zinc/80/93/35/574809335.db2.gz HDAORAPWZQSANH-UHFFFAOYSA-N -1 3 263.337 2.178 20 10 CECDHM CCOc1ccc(O)c(CNCc2ccc(C(=O)[O-])o2)c1 ZINC000737202667 574815710 /nfs/dbraw/zinc/81/57/10/574815710.db2.gz ALOJCZPHZHFXRV-UHFFFAOYSA-N -1 3 291.303 2.372 20 10 CECDHM Cc1noc(C)c1C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000738545808 574867289 /nfs/dbraw/zinc/86/72/89/574867289.db2.gz QGXJTPHCGZAWIC-SSDOTTSWSA-N -1 3 280.349 2.420 20 10 CECDHM O=C(NC[C@@]1(O)CCc2ccccc21)c1cc([O-])cs1 ZINC000752664103 575313252 /nfs/dbraw/zinc/31/32/52/575313252.db2.gz OKXRZVARIWWMCP-HNNXBMFYSA-N -1 3 289.356 2.018 20 10 CECDHM Cc1cc(C)c(-c2nn[n-]n2)c(NCc2ccccc2O)n1 ZINC000826263006 608375790 /nfs/dbraw/zinc/37/57/90/608375790.db2.gz HUQRWKGDVQODIG-UHFFFAOYSA-N -1 3 296.334 2.196 20 10 CECDHM Cc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000177661974 623185297 /nfs/dbraw/zinc/18/52/97/623185297.db2.gz BTHAXMNIDZOBFP-UHFFFAOYSA-N -1 3 258.277 2.362 20 10 CECDHM COCC1(C)CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894980730 629781162 /nfs/dbraw/zinc/78/11/62/629781162.db2.gz YWFSFPAKOBQIPW-UHFFFAOYSA-N -1 3 257.280 2.139 20 10 CECDHM CC[C@@H](SC)C(=O)NCc1c([O-])cccc1F ZINC000928706133 631128323 /nfs/dbraw/zinc/12/83/23/631128323.db2.gz RMVYQBNPKGPHOX-LLVKDONJSA-N -1 3 257.330 2.289 20 10 CECDHM CC(C)c1ncncc1C(=O)NCc1c([O-])cccc1F ZINC000928711203 631130699 /nfs/dbraw/zinc/13/06/99/631130699.db2.gz HIXUMWSTOMQGDK-UHFFFAOYSA-N -1 3 289.310 2.375 20 10 CECDHM Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928712587 631131364 /nfs/dbraw/zinc/13/13/64/631131364.db2.gz UAAJMTLIOQYSFR-QMMMGPOBSA-N -1 3 291.326 2.291 20 10 CECDHM O=C(Nc1nccc2ccncc21)c1cccc(O)c1[O-] ZINC000802615907 631437422 /nfs/dbraw/zinc/43/74/22/631437422.db2.gz OKZXCOZINXVYAX-UHFFFAOYSA-N -1 3 281.271 2.293 20 10 CECDHM CCN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816480343 633397673 /nfs/dbraw/zinc/39/76/73/633397673.db2.gz KTNKCXJHGKTPDI-UHFFFAOYSA-N -1 3 272.751 2.322 20 10 CECDHM CCOC(=O)CN(C)Cc1cc(Cl)c(C)cc1[O-] ZINC000824556003 635449990 /nfs/dbraw/zinc/44/99/90/635449990.db2.gz KTZJWQXEOHIMHW-UHFFFAOYSA-N -1 3 271.744 2.349 20 10 CECDHM C[C@@H]1C[C@H](O)CN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000825316040 635613778 /nfs/dbraw/zinc/61/37/78/635613778.db2.gz JHAADFNKKPCWMR-KCJUWKMLSA-N -1 3 273.735 2.387 20 10 CECDHM Cc1cc([O-])c(CN(C)Cc2cn(C)nn2)c(Cl)c1 ZINC000827304931 636286125 /nfs/dbraw/zinc/28/61/25/636286125.db2.gz JXMPKPPWVYGWOQ-UHFFFAOYSA-N -1 3 280.759 2.115 20 10 CECDHM CCOC(=O)[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876510087 650296250 /nfs/dbraw/zinc/29/62/50/650296250.db2.gz OJHFEQDCFJASBK-LLVKDONJSA-N -1 3 299.317 2.446 20 10 CECDHM O=C(NCCc1cccc(F)c1)c1cccc(O)c1[O-] ZINC000126261516 650509282 /nfs/dbraw/zinc/50/92/82/650509282.db2.gz KFJDAHTVOYEHGK-UHFFFAOYSA-N -1 3 275.279 2.209 20 10 CECDHM Cc1ccnc([C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)c1 ZINC000848198506 641922470 /nfs/dbraw/zinc/92/24/70/641922470.db2.gz PBUMADTXWPEKOA-GFCCVEGCSA-N -1 3 298.342 2.431 20 10 CECDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCCO1 ZINC000848350537 641966534 /nfs/dbraw/zinc/96/65/34/641966534.db2.gz QJLMZNSLYICEBO-WCQYABFASA-N -1 3 279.336 2.175 20 10 CECDHM C[C@@H]1C[C@@H](NCc2cc(Cl)ccc2[O-])c2ncnn21 ZINC000850351407 642677574 /nfs/dbraw/zinc/67/75/74/642677574.db2.gz BCLSRAVUHGHHLY-LDYMZIIASA-N -1 3 278.743 2.433 20 10 CECDHM Cc1cc(O)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000126575028 650777791 /nfs/dbraw/zinc/77/77/91/650777791.db2.gz DKBWCSRAHJDNAM-UHFFFAOYSA-N -1 3 259.261 2.364 20 10 CECDHM CC(C)=CCNC(=O)NCc1c([O-])cccc1F ZINC000922166634 642929420 /nfs/dbraw/zinc/92/94/20/642929420.db2.gz QNYXPMUZVAARIT-UHFFFAOYSA-N -1 3 252.289 2.297 20 10 CECDHM CO[C@@H]1CCCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000923073020 643546801 /nfs/dbraw/zinc/54/68/01/643546801.db2.gz MFFNRVSROLBZIN-TZMCWYRMSA-N -1 3 296.342 2.288 20 10 CECDHM O=C([O-])[C@H](NCc1ccc2c(c1)CCO2)c1ccc(O)cc1 ZINC000756362308 644636736 /nfs/dbraw/zinc/63/67/36/644636736.db2.gz KWWQTOUVUBURRS-MRXNPFEDSA-N -1 3 299.326 2.243 20 10 CECDHM COc1ccc2c(c1)[nH]nc2NC(=O)c1cccc(O)c1[O-] ZINC000773865552 646781994 /nfs/dbraw/zinc/78/19/94/646781994.db2.gz OOFUQBDGUMUQJJ-UHFFFAOYSA-N -1 3 299.286 2.235 20 10 CECDHM O=c1[n-]c(CSc2nccs2)nc2c1COCC2 ZINC000865352378 647254229 /nfs/dbraw/zinc/25/42/29/647254229.db2.gz JBKWLOOPZXYCQJ-UHFFFAOYSA-N -1 3 281.362 2.004 20 10 CECDHM CC(C)Cc1cc(NC(=O)c2cccc(O)c2[O-])n(C)n1 ZINC000790599191 648433969 /nfs/dbraw/zinc/43/39/69/648433969.db2.gz UVBBCVDEOBKHED-UHFFFAOYSA-N -1 3 289.335 2.282 20 10 CECDHM CN(Cc1c([O-])ccc(Cl)c1F)CC1(CO)CC1 ZINC000792180231 648619766 /nfs/dbraw/zinc/61/97/66/648619766.db2.gz OQAWTTJPFCGLQS-UHFFFAOYSA-N -1 3 273.735 2.389 20 10 CECDHM C[C@@H]1C[C@H](NCc2cc(F)cc(F)c2[O-])c2ncnn21 ZINC000883165674 652385179 /nfs/dbraw/zinc/38/51/79/652385179.db2.gz JKMVINKPDROBHI-HQJQHLMTSA-N -1 3 280.278 2.058 20 10 CECDHM O=C1CN(Cc2ccc(Cl)cc2[O-])CC2(CCCC2)N1 ZINC001140468654 802964029 /nfs/dbraw/zinc/96/40/29/802964029.db2.gz SRZVNNIMINAITD-UHFFFAOYSA-N -1 3 294.782 2.290 20 10 CECDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])c1ccccn1 ZINC000709603147 803941770 /nfs/dbraw/zinc/94/17/70/803941770.db2.gz RBCIHJMWWYCWOP-JTQLQIEISA-N -1 3 272.304 2.026 20 10 CECDHM O=C(N[C@H]1CCCC(F)(F)C1)c1cccc(O)c1[O-] ZINC000702569241 809565900 /nfs/dbraw/zinc/56/59/00/809565900.db2.gz YENDHSIZSHYYIC-QMMMGPOBSA-N -1 3 271.263 2.406 20 10 CECDHM CCCNC(=O)[C@H]1CCCCN1Cc1c([O-])cccc1F ZINC001137837623 809781080 /nfs/dbraw/zinc/78/10/80/809781080.db2.gz NYPSEDPXZAKZPZ-CQSZACIVSA-N -1 3 294.370 2.412 20 10 CECDHM [O-]c1cccc(F)c1CN1CCCCC12COC2 ZINC001137837781 809781938 /nfs/dbraw/zinc/78/19/38/809781938.db2.gz UTPZYTYNSGFNRK-UHFFFAOYSA-N -1 3 251.301 2.286 20 10 CECDHM [O-]c1cccc(F)c1CN1CCOCC12CCC2 ZINC001137839078 809809928 /nfs/dbraw/zinc/80/99/28/809809928.db2.gz QLKBOTZOVNLNHK-UHFFFAOYSA-N -1 3 251.301 2.286 20 10 CECDHM CCOC(=O)[C@@H]1CN(Cc2c([O-])cccc2F)CCS1 ZINC001137840079 809857646 /nfs/dbraw/zinc/85/76/46/809857646.db2.gz RISXFOWVLWJFKD-ZDUSSCGKSA-N -1 3 299.367 2.012 20 10 CECDHM CN(Cc1c([O-])cccc1Br)[C@@H]1CCOC1 ZINC000707134674 809881030 /nfs/dbraw/zinc/88/10/30/809881030.db2.gz JNQJNMNNYIHJOH-SECBINFHSA-N -1 3 286.169 2.375 20 10 CECDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](CC)O1 ZINC000398759544 813683875 /nfs/dbraw/zinc/68/38/75/813683875.db2.gz DBNBLKSOFSERFI-PHIMTYICSA-N -1 3 279.336 2.127 20 10 CECDHM O=C(N[C@H]1CCc2ccc(O)cc21)c1cccc(O)c1[O-] ZINC001147953159 814515927 /nfs/dbraw/zinc/51/59/27/814515927.db2.gz ZYPAUGUVSLLXMC-ZDUSSCGKSA-N -1 3 285.299 2.221 20 10 CECDHM O=C(Nc1cncc(C(F)(F)F)n1)c1cccc(O)c1[O-] ZINC001148212537 814536188 /nfs/dbraw/zinc/53/61/88/814536188.db2.gz CPFUXXQUNQGLMQ-UHFFFAOYSA-N -1 3 299.208 2.159 20 10 CECDHM Cc1nc2ccccn2c1NC(=O)c1cccc(O)c1[O-] ZINC001148212746 814536799 /nfs/dbraw/zinc/53/67/99/814536799.db2.gz JSYOESVTNWDSGS-UHFFFAOYSA-N -1 3 283.287 2.306 20 10 CECDHM Cc1ccc([C@H](C)NC(=O)c2cccc(O)c2[O-])nc1 ZINC001148219883 814538657 /nfs/dbraw/zinc/53/86/57/814538657.db2.gz DDVUAEVQBOBXMR-JTQLQIEISA-N -1 3 272.304 2.292 20 10 CECDHM Cc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)c2n[nH]cc21 ZINC001148588584 814592386 /nfs/dbraw/zinc/59/23/86/814592386.db2.gz WALWFNADSLVOPY-UHFFFAOYSA-N -1 3 299.286 2.240 20 10 CECDHM CC(C)CN1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139681600 816079128 /nfs/dbraw/zinc/07/91/28/816079128.db2.gz UPJILNQUKKDWSZ-UHFFFAOYSA-N -1 3 284.350 2.444 20 10 CECDHM O=C1CCCN(Cc2cc(F)ccc2[O-])C[C@@H]1F ZINC001140057797 816181648 /nfs/dbraw/zinc/18/16/48/816181648.db2.gz MVAAWYXNJJOQFW-NSHDSACASA-N -1 3 255.264 2.034 20 10 CECDHM [O-]c1cccc(Cl)c1CN1C[C@@H](F)C[C@H](CO)C1 ZINC001140338080 816237458 /nfs/dbraw/zinc/23/74/58/816237458.db2.gz UFGSKGKHTKIINO-UWVGGRQHSA-N -1 3 273.735 2.198 20 10 CECDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)CCC1=O ZINC001140337925 816238190 /nfs/dbraw/zinc/23/81/90/816238190.db2.gz NLIYQWXTTSBDRO-SECBINFHSA-N -1 3 253.729 2.457 20 10 CECDHM CC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])C[C@H]1C ZINC001140464180 816259585 /nfs/dbraw/zinc/25/95/85/816259585.db2.gz FLXGSFSQOIZVBR-SNVBAGLBSA-N -1 3 282.771 2.098 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCOC2(CCOCC2)C1 ZINC001140465363 816259673 /nfs/dbraw/zinc/25/96/73/816259673.db2.gz KKPADGPKEQMUBH-UHFFFAOYSA-N -1 3 297.782 2.427 20 10 CECDHM C[C@@H]1C[C@H](O)CCN1Cc1c([O-])cc(F)cc1F ZINC001140583285 816290574 /nfs/dbraw/zinc/29/05/74/816290574.db2.gz CUYGHWGOFAGTGA-PSASIEDQSA-N -1 3 257.280 2.016 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CC[C@]2(CCCO2)C1 ZINC001140582226 816291637 /nfs/dbraw/zinc/29/16/37/816291637.db2.gz FERDCYFBJOKJSZ-CQSZACIVSA-N -1 3 269.291 2.425 20 10 CECDHM C[C@H]1CN(Cc2c([O-])cc(F)cc2F)CC[C@@]1(C)O ZINC001140582361 816291692 /nfs/dbraw/zinc/29/16/92/816291692.db2.gz HBWWBBJBUDHFDN-LKFCYVNXSA-N -1 3 271.307 2.263 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CCC(F)(F)[C@@H](CO)C1 ZINC001142508567 816677852 /nfs/dbraw/zinc/67/78/52/816677852.db2.gz CZFRKVCKAZBHBF-SECBINFHSA-N -1 3 293.260 2.120 20 10 CECDHM CN(Cc1cc(Cl)ccc1[O-])[C@@H]1CCCCNC1=O ZINC000123894039 365643189 /nfs/dbraw/zinc/64/31/89/365643189.db2.gz IQNHRNGXEUZUEM-GFCCVEGCSA-N -1 3 282.771 2.146 20 10 CECDHM COCCN(Cc1ccccn1)Cc1ccccc1[O-] ZINC000196205584 344524149 /nfs/dbraw/zinc/52/41/49/344524149.db2.gz RKKQWCXWJQMYEF-UHFFFAOYSA-N -1 3 272.348 2.436 20 10 CECDHM Cn1cc2c(n1)CCC[C@H]2NCc1cccc(F)c1[O-] ZINC000283183507 282697062 /nfs/dbraw/zinc/69/70/62/282697062.db2.gz ZWWQBRBJJXHGQI-CYBMUJFWSA-N -1 3 275.327 2.432 20 10 CECDHM C[C@@H]1CCCN(C(=O)CN(C)Cc2ccccc2[O-])C1 ZINC000111236477 364726521 /nfs/dbraw/zinc/72/65/21/364726521.db2.gz RPFFRVNXDPJMMV-CYBMUJFWSA-N -1 3 276.380 2.083 20 10 CECDHM CC(C)COC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000187031795 369089650 /nfs/dbraw/zinc/08/96/50/369089650.db2.gz VJMYTIOLHLRGLO-UHFFFAOYSA-N -1 3 293.363 2.375 20 10 CECDHM COC(=O)[C@@H](C)N(Cc1ccccc1[O-])C1CCC1 ZINC000191641107 369729100 /nfs/dbraw/zinc/72/91/00/369729100.db2.gz MCOJOFSQMVLCPE-LLVKDONJSA-N -1 3 263.337 2.308 20 10 CECDHM COC(=O)[C@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(F)ccc1[O-] ZINC000191674275 369732806 /nfs/dbraw/zinc/73/28/06/369732806.db2.gz MHPRNXJMKIWPBL-WDBKCZKBSA-N -1 3 293.338 2.305 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCO[C@@H](C2CC2)C1 ZINC000368414358 373240235 /nfs/dbraw/zinc/24/02/35/373240235.db2.gz UDFDGZVXYYCQMU-CQSZACIVSA-N -1 3 251.301 2.142 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2CCCSC2)c([O-])c1O ZINC000272772175 373651791 /nfs/dbraw/zinc/65/17/91/373651791.db2.gz SPIUCCHQRZDLAT-SECBINFHSA-N -1 3 267.350 2.032 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1CCO[C@H](CC(=O)OC)C1 ZINC000372568311 374158914 /nfs/dbraw/zinc/15/89/14/374158914.db2.gz HLPFVWWIOBYCES-OCCSQVGLSA-N -1 3 293.363 2.107 20 10 CECDHM CCCCN(CCS(=O)(=O)CC)Cc1ccccc1[O-] ZINC000282486709 375496771 /nfs/dbraw/zinc/49/67/71/375496771.db2.gz PGZDWNSFSYCBKB-UHFFFAOYSA-N -1 3 299.436 2.429 20 10 CECDHM Cc1cc(CN[C@@H](C)c2ccc(F)cc2[O-])n(C)n1 ZINC000284408852 375827242 /nfs/dbraw/zinc/82/72/42/375827242.db2.gz QDKXUSMGNGGTMC-JTQLQIEISA-N -1 3 263.316 2.424 20 10 CECDHM Cc1ccncc1N(C)C(=O)/C=C\c1cncc([O-])c1 ZINC000492558802 380602464 /nfs/dbraw/zinc/60/24/64/380602464.db2.gz AIYATOZSXFCAQF-ARJAWSKDSA-N -1 3 269.304 2.167 20 10 CECDHM CCCN(CCS(=O)(=O)CCC)Cc1ccccc1[O-] ZINC000174372210 395123817 /nfs/dbraw/zinc/12/38/17/395123817.db2.gz YGINIEZNLRCPMZ-UHFFFAOYSA-N -1 3 299.436 2.429 20 10 CECDHM CCN(Cc1ccccc1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000179575245 395196670 /nfs/dbraw/zinc/19/66/70/395196670.db2.gz DGSRYLAUPYWZHJ-LBPRGKRZSA-N -1 3 285.409 2.037 20 10 CECDHM CCCn1c(C)nnc1CN(C)Cc1ccccc1[O-] ZINC000163003508 261302665 /nfs/dbraw/zinc/30/26/65/261302665.db2.gz SKPARWOPNKKRGZ-UHFFFAOYSA-N -1 3 274.368 2.334 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1CCOC[C@H]1CC(=O)OC ZINC000377870266 329032415 /nfs/dbraw/zinc/03/24/15/329032415.db2.gz TYZUZSNTAKEOMM-OCCSQVGLSA-N -1 3 293.363 2.107 20 10 CECDHM CC[C@H](N[C@H](C)c1ncn(C)n1)c1ccccc1[O-] ZINC000275720047 334793899 /nfs/dbraw/zinc/79/38/99/334793899.db2.gz NOWIRKOPFMWTEA-PWSUYJOCSA-N -1 3 260.341 2.323 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](CO)C2)c1[O-] ZINC000050132057 518280094 /nfs/dbraw/zinc/28/00/94/518280094.db2.gz JSYNLUSTSCKCJR-LLVKDONJSA-N -1 3 297.782 2.453 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCCO[C@H](C)C2)c1[O-] ZINC000061919860 518283174 /nfs/dbraw/zinc/28/31/74/518283174.db2.gz QBMRYUVKNYFOQN-SNVBAGLBSA-N -1 3 281.327 2.345 20 10 CECDHM CC(C)(C)[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000279833122 518983138 /nfs/dbraw/zinc/98/31/38/518983138.db2.gz NLPJMUYKDWDPCR-ZWNOBZJWSA-N -1 3 293.363 2.421 20 10 CECDHM CC(C)(O)C1CN(Cc2cccc(Cl)c2[O-])C1 ZINC000297535381 519339728 /nfs/dbraw/zinc/33/97/28/519339728.db2.gz ZPPNHERXSQBBSN-UHFFFAOYSA-N -1 3 255.745 2.248 20 10 CECDHM CC1(C)CN(Cc2cccc(Cl)c2[O-])C[C@H]1O ZINC000280379345 520482142 /nfs/dbraw/zinc/48/21/42/520482142.db2.gz FFGFTUMHNLVSEJ-LLVKDONJSA-N -1 3 255.745 2.248 20 10 CECDHM CCN(CC)S(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000085204660 520780721 /nfs/dbraw/zinc/78/07/21/520780721.db2.gz NVDOYCCPLORNQT-UHFFFAOYSA-N -1 3 278.761 2.044 20 10 CECDHM COc1c([O-])c(CNc2cnoc2C)ccc1[N+](=O)[O-] ZINC000278531880 521881918 /nfs/dbraw/zinc/88/19/18/521881918.db2.gz VHIXSQPBSVSOQR-UHFFFAOYSA-N -1 3 279.252 2.218 20 10 CECDHM C[C@@]1(O)CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000129512752 525881594 /nfs/dbraw/zinc/88/15/94/525881594.db2.gz DOOKUZHWFPTHHK-CYBMUJFWSA-N -1 3 255.745 2.392 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC([C@@H]2CCCO2)CC1 ZINC000276364412 526769781 /nfs/dbraw/zinc/76/97/81/526769781.db2.gz ZLPOIEALNZJSPL-AWEZNQCLSA-N -1 3 291.347 2.129 20 10 CECDHM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000749544035 575224885 /nfs/dbraw/zinc/22/48/85/575224885.db2.gz HPPQPNVLLYCVGW-SECBINFHSA-N -1 3 297.376 2.258 20 10 CECDHM COc1ccc(CNC(=O)c2cc([O-])cs2)cc1OC ZINC000731861724 574604188 /nfs/dbraw/zinc/60/41/88/574604188.db2.gz LJXPDOZNKOQQSX-UHFFFAOYSA-N -1 3 293.344 2.401 20 10 CECDHM C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cc([O-])cs1 ZINC000731911235 574605530 /nfs/dbraw/zinc/60/55/30/574605530.db2.gz GZZSQKBRZWZCGU-ONGXEEELSA-N -1 3 297.376 2.305 20 10 CECDHM COC(=O)CCCCCCNC(=O)c1cc([O-])cs1 ZINC000732266210 574616320 /nfs/dbraw/zinc/61/63/20/574616320.db2.gz WOHNTEQWBHCZLK-UHFFFAOYSA-N -1 3 285.365 2.307 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCN(C2CCCC2)CC1 ZINC000732267062 574616349 /nfs/dbraw/zinc/61/63/49/574616349.db2.gz BGCLNHILHPGFCO-UHFFFAOYSA-N -1 3 280.393 2.154 20 10 CECDHM O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc([O-])cs1 ZINC000732264141 574616453 /nfs/dbraw/zinc/61/64/53/574616453.db2.gz AUELLALVAVRRJK-UHFFFAOYSA-N -1 3 275.289 2.288 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCOC[C@@H]1c1ccco1 ZINC000735125982 574744545 /nfs/dbraw/zinc/74/45/45/574744545.db2.gz QEVBNPKMIGFMMO-SNVBAGLBSA-N -1 3 279.317 2.260 20 10 CECDHM CCOc1ccc(CNCc2ccc(C(=O)[O-])o2)c(O)c1 ZINC000737201931 574815699 /nfs/dbraw/zinc/81/56/99/574815699.db2.gz BSPQAHRIXCGSGL-UHFFFAOYSA-N -1 3 291.303 2.372 20 10 CECDHM O=C(NC[C@@H](O)CCc1ccccc1)c1cc([O-])cs1 ZINC000753522591 574826000 /nfs/dbraw/zinc/82/60/00/574826000.db2.gz GKZCHOJDXIBIBM-LBPRGKRZSA-N -1 3 291.372 2.177 20 10 CECDHM COc1ccc2ccc([O-])c(C[N@H+](C)[C@@H](C)C(=O)[O-])c2c1 ZINC000818614322 597480922 /nfs/dbraw/zinc/48/09/22/597480922.db2.gz IXGROGQEEYGNQZ-JTQLQIEISA-N -1 3 289.331 2.459 20 10 CECDHM COc1ccc2ccc([O-])c(C[N@@H+](C)[C@@H](C)C(=O)[O-])c2c1 ZINC000818614322 597480923 /nfs/dbraw/zinc/48/09/23/597480923.db2.gz IXGROGQEEYGNQZ-JTQLQIEISA-N -1 3 289.331 2.459 20 10 CECDHM Cc1cc(O)c(CN2CC[C@@](F)(C(=O)[O-])C2)cc1C ZINC000832897992 601372396 /nfs/dbraw/zinc/37/23/96/601372396.db2.gz AKLNVZSHVCLECD-AWEZNQCLSA-N -1 3 267.300 2.008 20 10 CECDHM CS[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000923640431 649927629 /nfs/dbraw/zinc/92/76/29/649927629.db2.gz ZMULZZCMCNSVHN-KYZUINATSA-N -1 3 284.356 2.225 20 10 CECDHM CN(C)c1ccc(CNC(=O)c2c([O-])cccc2O)cc1 ZINC000125585238 649955669 /nfs/dbraw/zinc/95/56/69/649955669.db2.gz AXBRLUMHNPUEBQ-UHFFFAOYSA-N -1 3 286.331 2.094 20 10 CECDHM O=C([O-])NCC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000834223588 605564154 /nfs/dbraw/zinc/56/41/54/605564154.db2.gz CEPLABNQTLGTAT-UHFFFAOYSA-N -1 3 282.315 2.011 20 10 CECDHM O=C([O-])N1CC[C@@H]([N@H+](Cc2ccccc2[O-])C2CC2)C1 ZINC000834086364 605692722 /nfs/dbraw/zinc/69/27/22/605692722.db2.gz YANSRLXNRYIGTE-CYBMUJFWSA-N -1 3 276.336 2.109 20 10 CECDHM O=C([O-])N1CC[C@@H]([N@@H+](Cc2ccccc2[O-])C2CC2)C1 ZINC000834086364 605692725 /nfs/dbraw/zinc/69/27/25/605692725.db2.gz YANSRLXNRYIGTE-CYBMUJFWSA-N -1 3 276.336 2.109 20 10 CECDHM Oc1ccccc1CNc1ccc(-c2nn[n-]n2)cc1F ZINC000826511168 608377102 /nfs/dbraw/zinc/37/71/02/608377102.db2.gz FJUZNOIPLXEXCY-UHFFFAOYSA-N -1 3 285.282 2.324 20 10 CECDHM COc1ccc(O)c(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000378896332 609474235 /nfs/dbraw/zinc/47/42/35/609474235.db2.gz NLPISULHVYDKRD-UHFFFAOYSA-N -1 3 297.318 2.193 20 10 CECDHM COc1ccc(O)c(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000378896332 609474238 /nfs/dbraw/zinc/47/42/38/609474238.db2.gz NLPISULHVYDKRD-UHFFFAOYSA-N -1 3 297.318 2.193 20 10 CECDHM C[C@@H](Cc1c[nH]cn1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761020 622932586 /nfs/dbraw/zinc/93/25/86/622932586.db2.gz INSUDESJFCRXIR-VIFPVBQESA-N -1 3 293.754 2.264 20 10 CECDHM C[C@@H](Cc1cnc[nH]1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761020 622932588 /nfs/dbraw/zinc/93/25/88/622932588.db2.gz INSUDESJFCRXIR-VIFPVBQESA-N -1 3 293.754 2.264 20 10 CECDHM Cc1ccc(C(=O)Nc2cnn(CC(F)F)c2)c([O-])c1O ZINC000177686700 625821577 /nfs/dbraw/zinc/82/15/77/625821577.db2.gz MDOVIHKKXZFLGN-UHFFFAOYSA-N -1 3 297.261 2.120 20 10 CECDHM Cc1cc(N(C)C)ccc1CNc1cc(=O)[n-]cn1 ZINC000892563672 627275297 /nfs/dbraw/zinc/27/52/97/627275297.db2.gz FQEGGLOWOQKFBN-UHFFFAOYSA-N -1 3 258.325 2.169 20 10 CECDHM Cc1ccoc1CN(C)C(=O)c1cccc(O)c1[O-] ZINC000311862413 627710083 /nfs/dbraw/zinc/71/00/83/627710083.db2.gz VIKNRERUDTZXHK-UHFFFAOYSA-N -1 3 261.277 2.271 20 10 CECDHM COCc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000186907871 628261999 /nfs/dbraw/zinc/26/19/99/628261999.db2.gz RUXMSRKJCHONDK-UHFFFAOYSA-N -1 3 287.315 2.174 20 10 CECDHM C[C@@H](CNc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000193132302 628466099 /nfs/dbraw/zinc/46/60/99/628466099.db2.gz KJBQTUIBXXBUPQ-NSHDSACASA-N -1 3 286.331 2.328 20 10 CECDHM CN(Cc1ncc[nH]1)Cc1c([O-])cccc1Cl ZINC000894583638 629545447 /nfs/dbraw/zinc/54/54/47/629545447.db2.gz IAHLQFSBIFKPEK-UHFFFAOYSA-N -1 3 251.717 2.401 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@](O)(C(F)F)C1 ZINC000824726283 635485788 /nfs/dbraw/zinc/48/57/88/635485788.db2.gz KLTZETNTESIQED-GFCCVEGCSA-N -1 3 295.688 2.387 20 10 CECDHM C[C@H]1CC(CCNC(=O)c2cccc(O)c2[O-])C[C@H](C)O1 ZINC000802196940 631400163 /nfs/dbraw/zinc/40/01/63/631400163.db2.gz BOCCQQBIJSGUPN-QWRGUYRKSA-N -1 3 293.363 2.421 20 10 CECDHM Cn1ccc(CNCc2cc(Cl)c(F)cc2[O-])n1 ZINC000816559405 633413143 /nfs/dbraw/zinc/41/31/43/633413143.db2.gz JIDJOWJHJWXXAR-UHFFFAOYSA-N -1 3 269.707 2.208 20 10 CECDHM COc1nn(C)cc1CN[C@@H](C)c1c([O-])cccc1F ZINC000903346732 635074365 /nfs/dbraw/zinc/07/43/65/635074365.db2.gz WCNRUFRXNJMIRJ-VIFPVBQESA-N -1 3 279.315 2.124 20 10 CECDHM CC(=O)N1CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824484270 635435350 /nfs/dbraw/zinc/43/53/50/635435350.db2.gz ANIAONWCBQZLGK-UHFFFAOYSA-N -1 3 282.771 2.018 20 10 CECDHM [O-]c1cccc(Cl)c1CN[C@@H]1CCn2ccnc21 ZINC000824526368 635441669 /nfs/dbraw/zinc/44/16/69/635441669.db2.gz KGIUVNCJCPCJHG-LLVKDONJSA-N -1 3 263.728 2.477 20 10 CECDHM C[C@@H](O)CN(Cc1cc(Cl)ccc1[O-])CC(F)F ZINC000825099048 635567201 /nfs/dbraw/zinc/56/72/01/635567201.db2.gz SGJBVQNCHMOQEB-MRVPVSSYSA-N -1 3 279.714 2.494 20 10 CECDHM Cc1cc([O-])c(CN2CCN(C)C(=O)[C@H]2C)cc1Cl ZINC000825567651 635666061 /nfs/dbraw/zinc/66/60/61/635666061.db2.gz LDRAZUVECSAIAK-SNVBAGLBSA-N -1 3 282.771 2.017 20 10 CECDHM Cc1cc([O-])c(CN(C)Cc2cn(C)nn2)cc1Cl ZINC000827305765 636287268 /nfs/dbraw/zinc/28/72/68/636287268.db2.gz ZHUXTGLOPRYCOE-UHFFFAOYSA-N -1 3 280.759 2.115 20 10 CECDHM CC(C)CCOCCNC(=O)NCc1c([O-])cccc1F ZINC000915109157 640512118 /nfs/dbraw/zinc/51/21/18/640512118.db2.gz BCCQLLGWOSSBGU-UHFFFAOYSA-N -1 3 298.358 2.393 20 10 CECDHM CCON(C(=O)c1ccc(C)c(O)c1[O-])C(C)C ZINC000844077536 640595236 /nfs/dbraw/zinc/59/52/36/640595236.db2.gz LKCLNOWZIKEINS-UHFFFAOYSA-N -1 3 253.298 2.208 20 10 CECDHM CCN(CC)C(=O)CN(C)Cc1cc(Cl)ccc1[O-] ZINC000155115496 641087867 /nfs/dbraw/zinc/08/78/67/641087867.db2.gz SCGDQVUSTARDBD-UHFFFAOYSA-N -1 3 284.787 2.346 20 10 CECDHM C[C@@H](O)CC(C)(C)CNC(=O)NCc1c([O-])cccc1F ZINC000920308571 641134813 /nfs/dbraw/zinc/13/48/13/641134813.db2.gz AIDAJBAYZHDGDX-SNVBAGLBSA-N -1 3 298.358 2.128 20 10 CECDHM O=S(=O)(NCc1c([O-])cccc1F)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000921451836 641284298 /nfs/dbraw/zinc/28/42/98/641284298.db2.gz WYHBQZYPYXEIKO-ISTVAULSSA-N -1 3 299.367 2.139 20 10 CECDHM CCc1ncc(NC(=O)c2ccc(C)c(O)c2[O-])cn1 ZINC000182857321 641697506 /nfs/dbraw/zinc/69/75/06/641697506.db2.gz CRVLMGMQJVPOJX-UHFFFAOYSA-N -1 3 273.292 2.011 20 10 CECDHM C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(F)c(F)c1[O-] ZINC000877407469 650710018 /nfs/dbraw/zinc/71/00/18/650710018.db2.gz RHHIUNXDXKYXAW-VHSXEESVSA-N -1 3 270.323 2.195 20 10 CECDHM C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000769464685 642135408 /nfs/dbraw/zinc/13/54/08/642135408.db2.gz AABIPSPIBYVNPX-JJQCHNSYSA-N -1 3 287.812 2.387 20 10 CECDHM O=C(N[C@H]1CCOC12CCCCC2)c1cccc(O)c1[O-] ZINC000888307190 642195303 /nfs/dbraw/zinc/19/53/03/642195303.db2.gz BOJRXZSAOZBTKD-ZDUSSCGKSA-N -1 3 291.347 2.319 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2CCCC[C@@H]2C1 ZINC000187170348 643723882 /nfs/dbraw/zinc/72/38/82/643723882.db2.gz WBSQJOXAHZDTFZ-PHIMTYICSA-N -1 3 261.321 2.360 20 10 CECDHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1ccccc1O ZINC000867835043 647973106 /nfs/dbraw/zinc/97/31/06/647973106.db2.gz ZUNNEVMXWPFSMD-MRVPVSSYSA-N -1 3 296.348 2.037 20 10 CECDHM Cc1ncsc1NC(=O)c1cccc(O)c1[O-] ZINC000790891790 648458613 /nfs/dbraw/zinc/45/86/13/648458613.db2.gz LVLZZAIPZAVWHS-UHFFFAOYSA-N -1 3 250.279 2.115 20 10 CECDHM Cn1ncc(NC(=O)c2cccc(O)c2[O-])c1C(F)F ZINC000790906360 648459718 /nfs/dbraw/zinc/45/97/18/648459718.db2.gz YILRUDHLNWNEIY-UHFFFAOYSA-N -1 3 283.234 2.021 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1C1CCOCC1 ZINC000790919833 648461266 /nfs/dbraw/zinc/46/12/66/648461266.db2.gz TVZSXUAHHXYGDE-ZDUSSCGKSA-N -1 3 291.347 2.129 20 10 CECDHM [O-]c1ccc(Cl)c(F)c1CNCc1cc[nH]n1 ZINC000790960887 648464963 /nfs/dbraw/zinc/46/49/63/648464963.db2.gz KABYMDKBRKBMFX-UHFFFAOYSA-N -1 3 255.680 2.198 20 10 CECDHM CN(C)c1nc(CNCc2cc(F)cc(F)c2[O-])cs1 ZINC000883027969 652332489 /nfs/dbraw/zinc/33/24/89/652332489.db2.gz WBKDUCVHYFZSEV-UHFFFAOYSA-N -1 3 299.346 2.483 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN[C@@H]1CCn2ccnc21 ZINC000883131672 652372488 /nfs/dbraw/zinc/37/24/88/652372488.db2.gz MPPBRWTWXYPKJI-LLVKDONJSA-N -1 3 265.263 2.102 20 10 CECDHM CCCN(CC(=O)NC)Cc1c([O-])cccc1Cl ZINC000133294215 652619449 /nfs/dbraw/zinc/61/94/49/652619449.db2.gz PGQYKCIFLJHKAF-UHFFFAOYSA-N -1 3 270.760 2.004 20 10 CECDHM C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C(=O)[O-] ZINC000693476266 802956677 /nfs/dbraw/zinc/95/66/77/802956677.db2.gz QICSZPXYAPWXBW-BXKDBHETSA-N -1 3 267.300 2.074 20 10 CECDHM C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C(=O)[O-] ZINC000693476266 802956682 /nfs/dbraw/zinc/95/66/82/802956682.db2.gz QICSZPXYAPWXBW-BXKDBHETSA-N -1 3 267.300 2.074 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCc2ncncc2C1 ZINC001140466188 802957910 /nfs/dbraw/zinc/95/79/10/802957910.db2.gz AOEFCKJKOUOIFZ-UHFFFAOYSA-N -1 3 275.739 2.394 20 10 CECDHM COC(=O)C[C@@H]1CCCN1Cc1c([O-])cc(F)cc1F ZINC001140583964 803183013 /nfs/dbraw/zinc/18/30/13/803183013.db2.gz ZVHBJPRVTPKOKL-JTQLQIEISA-N -1 3 285.290 2.198 20 10 CECDHM Cc1cc([O-])c(CN2CC(O)(C(F)(F)F)C2)cc1Cl ZINC001231868670 807195112 /nfs/dbraw/zinc/19/51/12/807195112.db2.gz VZNNKYRIOGWXMG-UHFFFAOYSA-N -1 3 295.688 2.463 20 10 CECDHM C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CCCO1 ZINC000703592379 809667659 /nfs/dbraw/zinc/66/76/59/809667659.db2.gz IDJVZYLKMLCJGU-VIFPVBQESA-N -1 3 257.280 2.281 20 10 CECDHM CC(C)(F)CNC(=O)NCc1c([O-])cccc1F ZINC000923506359 810103774 /nfs/dbraw/zinc/10/37/74/810103774.db2.gz WEASRRBHSWWZIE-UHFFFAOYSA-N -1 3 258.268 2.079 20 10 CECDHM O=C(Nc1cnn2cc(F)ccc12)c1cccc(O)c1[O-] ZINC001148212510 814536056 /nfs/dbraw/zinc/53/60/56/814536056.db2.gz ZWOXUYRIUGLFCF-UHFFFAOYSA-N -1 3 287.250 2.137 20 10 CECDHM C[C@@]1(F)CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1F ZINC001148211912 814536412 /nfs/dbraw/zinc/53/64/12/814536412.db2.gz BVMFJNKQXYXVAV-ZWNOBZJWSA-N -1 3 271.263 2.010 20 10 CECDHM Cn1cc2cccc(NC(=O)c3cccc(O)c3[O-])c2n1 ZINC001148218911 814537918 /nfs/dbraw/zinc/53/79/18/814537918.db2.gz NUJMCLFSICZLMB-UHFFFAOYSA-N -1 3 283.287 2.237 20 10 CECDHM O=C(Nc1ccsc1)c1cc(O)c([O-])c(O)c1 ZINC001148581172 814590858 /nfs/dbraw/zinc/59/08/58/814590858.db2.gz NSNVGDVTGMPTQZ-UHFFFAOYSA-N -1 3 251.263 2.117 20 10 CECDHM Cc1c(C)c(NC(=O)c2cc(O)c([O-])c(O)c2)ccc1O ZINC001148586573 814591490 /nfs/dbraw/zinc/59/14/90/814591490.db2.gz SMBCUGXIADWCGU-UHFFFAOYSA-N -1 3 289.287 2.378 20 10 CECDHM CC[C@@H](C)C[C@H](C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589790 814591536 /nfs/dbraw/zinc/59/15/36/814591536.db2.gz LGLKJUGZWJSRSH-BDAKNGLRSA-N -1 3 267.325 2.358 20 10 CECDHM O=C(Nc1cnccc1C1CC1)c1cc(O)c([O-])c(O)c1 ZINC001148583128 814591715 /nfs/dbraw/zinc/59/17/15/814591715.db2.gz UOQGGACOVPTSLH-UHFFFAOYSA-N -1 3 286.287 2.328 20 10 CECDHM [O-]c1cccc(F)c1CN1CCC(O)(C(F)(F)F)CC1 ZINC001137831495 815691470 /nfs/dbraw/zinc/69/14/70/815691470.db2.gz BTBGIYBWABTMSP-UHFFFAOYSA-N -1 3 293.260 2.421 20 10 CECDHM CCOC(=O)C1(F)CCN(Cc2cccc(F)c2[O-])CC1 ZINC001138127754 815733409 /nfs/dbraw/zinc/73/34/09/815733409.db2.gz OKLDLLXEOUMAJY-UHFFFAOYSA-N -1 3 299.317 2.399 20 10 CECDHM Cc1cc(CN(C)Cc2cccc(F)c2[O-])n(C)n1 ZINC001138127635 815735039 /nfs/dbraw/zinc/73/50/39/815735039.db2.gz JDKSEVLIIPPCER-UHFFFAOYSA-N -1 3 263.316 2.205 20 10 CECDHM O=C1CN(Cc2cc(F)ccc2[O-])CCC[C@H]1F ZINC001140058429 816181546 /nfs/dbraw/zinc/18/15/46/816181546.db2.gz YSXSVIDBRGDHSI-LLVKDONJSA-N -1 3 255.264 2.034 20 10 CECDHM [O-]c1cccc(Br)c1CN1CC2(CC(O)C2)C1 ZINC001140098527 816188783 /nfs/dbraw/zinc/18/87/83/816188783.db2.gz CZMCSMCUOUUXNE-UHFFFAOYSA-N -1 3 298.180 2.111 20 10 CECDHM CC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])C[C@@H]1C ZINC001140464179 816260127 /nfs/dbraw/zinc/26/01/27/816260127.db2.gz FLXGSFSQOIZVBR-JTQLQIEISA-N -1 3 282.771 2.098 20 10 CECDHM CO[C@@H]1CCCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140579982 816289248 /nfs/dbraw/zinc/28/92/48/816289248.db2.gz NCUIAKBODYFJKR-SNVBAGLBSA-N -1 3 257.280 2.281 20 10 CECDHM CCN(CCCC(=O)OC)Cc1c([O-])cc(F)cc1F ZINC001140582429 816291142 /nfs/dbraw/zinc/29/11/42/816291142.db2.gz IXXBLRFXRIADSU-UHFFFAOYSA-N -1 3 287.306 2.446 20 10 CECDHM COC(=O)[C@]1(C)CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140585460 816295304 /nfs/dbraw/zinc/29/53/04/816295304.db2.gz JGPLTGMHSACRFE-CQSZACIVSA-N -1 3 285.290 2.055 20 10 CECDHM COC(=O)C1(C)CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142524876 816680335 /nfs/dbraw/zinc/68/03/35/816680335.db2.gz OGUQXJNVDNDKTI-UHFFFAOYSA-N -1 3 299.317 2.446 20 10 CECDHM CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CCO1 ZINC000037323499 361903514 /nfs/dbraw/zinc/90/35/14/361903514.db2.gz QAFYVDCFSZNTKI-ZDUSSCGKSA-N -1 3 281.327 2.345 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)C[C@@H]2CCCO2)c1[O-] ZINC000048948790 362313998 /nfs/dbraw/zinc/31/39/98/362313998.db2.gz CRMYWSYTPMZNBC-ZDUSSCGKSA-N -1 3 281.327 2.345 20 10 CECDHM COCCN(CCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093005883 344211582 /nfs/dbraw/zinc/21/15/82/344211582.db2.gz LSIJMSSMPUZBDA-UHFFFAOYSA-N -1 3 294.178 2.140 20 10 CECDHM C[C@@H]1[C@H](C)SCCN1C(=O)c1cccc(O)c1[O-] ZINC000126564489 344324839 /nfs/dbraw/zinc/32/48/39/344324839.db2.gz ZDEPKSJRAPYXFR-BDAKNGLRSA-N -1 3 267.350 2.064 20 10 CECDHM CN(Cc1noc(C2CC2)n1)Cc1ccccc1[O-] ZINC000111236359 364724238 /nfs/dbraw/zinc/72/42/38/364724238.db2.gz DQCYRKWUKSGXBO-UHFFFAOYSA-N -1 3 259.309 2.285 20 10 CECDHM CN(Cc1cnn(C)c1)Cc1cccc(Cl)c1[O-] ZINC000179601845 368344543 /nfs/dbraw/zinc/34/45/43/368344543.db2.gz GDXLKPKKXJSXGG-UHFFFAOYSA-N -1 3 265.744 2.411 20 10 CECDHM C[C@]1(O)CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000180377807 368378781 /nfs/dbraw/zinc/37/87/81/368378781.db2.gz BPLXGSMLMWUMDY-ZDUSSCGKSA-N -1 3 255.745 2.392 20 10 CECDHM CC[C@]1(CO)CCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000189611520 369546655 /nfs/dbraw/zinc/54/66/55/369546655.db2.gz UJFDTUZSEWXJQI-MRXNPFEDSA-N -1 3 295.354 2.471 20 10 CECDHM CS[C@H]1CCCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193142879 369899207 /nfs/dbraw/zinc/89/92/07/369899207.db2.gz SIBHAISNVYIGIQ-JTQLQIEISA-N -1 3 281.377 2.456 20 10 CECDHM [O-]c1c(Cl)cccc1CN(CCO)Cc1cccnc1 ZINC000271706618 373197731 /nfs/dbraw/zinc/19/77/31/373197731.db2.gz FQQRKAAMOHXAOV-UHFFFAOYSA-N -1 3 292.766 2.435 20 10 CECDHM Cc1ccc(C(=O)N(C)CCCOC(C)C)c([O-])c1O ZINC000272791732 373658432 /nfs/dbraw/zinc/65/84/32/373658432.db2.gz WXCHTLNPFOHAMZ-UHFFFAOYSA-N -1 3 281.352 2.293 20 10 CECDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])CCS1 ZINC000277697828 374614192 /nfs/dbraw/zinc/61/41/92/374614192.db2.gz DZSIRHYNGCLXEI-VIFPVBQESA-N -1 3 267.350 2.065 20 10 CECDHM O=C(N[C@H]1CCCC12CCOCC2)c1cccc(O)c1[O-] ZINC000282466526 375490728 /nfs/dbraw/zinc/49/07/28/375490728.db2.gz LAJJIUJZMZEBQK-ZDUSSCGKSA-N -1 3 291.347 2.177 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@@]2(CCCOC2)C1 ZINC000289326757 376390959 /nfs/dbraw/zinc/39/09/59/376390959.db2.gz GJEZELWNIZIPAE-HNNXBMFYSA-N -1 3 297.782 2.427 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCCc2occc2C1 ZINC000290646237 296253787 /nfs/dbraw/zinc/25/37/87/296253787.db2.gz NCOABQNCFXUFNR-UHFFFAOYSA-N -1 3 273.288 2.279 20 10 CECDHM CCCOc1ccc(CN2CC(OCC)C2)c([O-])c1 ZINC000297540278 378686699 /nfs/dbraw/zinc/68/66/99/378686699.db2.gz YLGHAPNKXZFBSQ-UHFFFAOYSA-N -1 3 265.353 2.402 20 10 CECDHM O=C(/C=C/c1cncc([O-])c1)N1CCc2ccccc21 ZINC000179383906 260045428 /nfs/dbraw/zinc/04/54/28/260045428.db2.gz INUIVIADPMVBGZ-AATRIKPKSA-N -1 3 266.300 2.390 20 10 CECDHM C[C@H](C[S@](C)=O)N(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293603379 395243118 /nfs/dbraw/zinc/24/31/18/395243118.db2.gz LIBVNLIFHSXXGN-CVJBHZAOSA-N -1 3 293.791 2.384 20 10 CECDHM Cc1ccc(C(=O)N(C)CCc2ccncc2)c([O-])c1O ZINC000179458886 395193669 /nfs/dbraw/zinc/19/36/69/395193669.db2.gz QMNMSRIVIPFQCT-UHFFFAOYSA-N -1 3 286.331 2.116 20 10 CECDHM COC(=O)N1CC(N[C@@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000186137200 262081138 /nfs/dbraw/zinc/08/11/38/262081138.db2.gz ONSYVDLWFPDMGQ-QMMMGPOBSA-N -1 3 284.743 2.147 20 10 CECDHM O=C(NCc1ccc2c(n1)CCCC2)c1cccc(O)c1[O-] ZINC000277535812 263041780 /nfs/dbraw/zinc/04/17/80/263041780.db2.gz AUGCGJRKEBMWQQ-UHFFFAOYSA-N -1 3 298.342 2.302 20 10 CECDHM CC[C@@H](N[C@@H](C)c1ncnn1C)c1ccc(F)cc1[O-] ZINC000287385533 280192579 /nfs/dbraw/zinc/19/25/79/280192579.db2.gz ILYAREHWTBIBIW-JOYOIKCWSA-N -1 3 278.331 2.462 20 10 CECDHM O=C(NC1CC1)[C@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000179488239 329209018 /nfs/dbraw/zinc/20/90/18/329209018.db2.gz JFCXRGTWHOJLSZ-CYBMUJFWSA-N -1 3 294.782 2.289 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCO[C@]2(CCOC2)C1 ZINC000187532832 329358993 /nfs/dbraw/zinc/35/89/93/329358993.db2.gz SSRDKYSPZDOXBB-CQSZACIVSA-N -1 3 283.755 2.037 20 10 CECDHM CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H](C)CO ZINC000292174302 521288873 /nfs/dbraw/zinc/28/88/73/521288873.db2.gz MATFRZAPIJUELA-SECBINFHSA-N -1 3 285.771 2.451 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN(CCO)C(C)C)c1[O-] ZINC000050158094 518278426 /nfs/dbraw/zinc/27/84/26/518278426.db2.gz KZNHCVJLMBIICW-UHFFFAOYSA-N -1 3 285.771 2.451 20 10 CECDHM CO[C@@]1(C)CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000280125337 523805557 /nfs/dbraw/zinc/80/55/57/523805557.db2.gz WBNTZWJBCJNTHN-HNNXBMFYSA-N -1 3 279.336 2.129 20 10 CECDHM C[C@H](CN1CCOCC1)N(C)Cc1c([O-])cccc1Cl ZINC000279498195 524347713 /nfs/dbraw/zinc/34/77/13/524347713.db2.gz VSAKCEISARXCML-GFCCVEGCSA-N -1 3 298.814 2.198 20 10 CECDHM Cc1cc(Cl)cc(CN[C@H](C)c2ncn(C)n2)c1[O-] ZINC000276170743 524874829 /nfs/dbraw/zinc/87/48/29/524874829.db2.gz HDMHFYLSHJOTBB-SECBINFHSA-N -1 3 280.759 2.333 20 10 CECDHM C[C@@H](NCc1c([O-])cccc1Cl)c1nnc2n1CCC2 ZINC000083551783 525508571 /nfs/dbraw/zinc/50/85/71/525508571.db2.gz VFDNEJNHKPCRPK-SECBINFHSA-N -1 3 292.770 2.434 20 10 CECDHM Cc1ccc(C(=O)N2C[C@@H](C3CC3)O[C@@H](C)C2)c([O-])c1O ZINC000279590375 526136311 /nfs/dbraw/zinc/13/63/11/526136311.db2.gz APEJMQNADILVOF-GWCFXTLKSA-N -1 3 291.347 2.046 20 10 CECDHM CC(C)c1noc(COC(=O)c2cc([O-])cs2)n1 ZINC000731910556 574605547 /nfs/dbraw/zinc/60/55/47/574605547.db2.gz SNDYEDLDUQYCRG-UHFFFAOYSA-N -1 3 268.294 2.317 20 10 CECDHM COc1cccc(CCNC(=O)c2cc([O-])cs2)c1 ZINC000732272113 574616884 /nfs/dbraw/zinc/61/68/84/574616884.db2.gz HYSHIKUKGXIMGY-UHFFFAOYSA-N -1 3 277.345 2.435 20 10 CECDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)N1CCC(C)CC1 ZINC000732353790 574619387 /nfs/dbraw/zinc/61/93/87/574619387.db2.gz VPTFOHDLFRJFQN-JTQLQIEISA-N -1 3 297.376 2.258 20 10 CECDHM CCOc1nnc(COC(=O)c2cc([O-])cs2)s1 ZINC000733497490 574677745 /nfs/dbraw/zinc/67/77/45/574677745.db2.gz WHFMWXVDLLTETO-UHFFFAOYSA-N -1 3 286.334 2.061 20 10 CECDHM O=C([O-])N1CCCC[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000740518032 574957721 /nfs/dbraw/zinc/95/77/21/574957721.db2.gz HGUNYYFSZSEYDV-AWEZNQCLSA-N -1 3 290.363 2.244 20 10 CECDHM O=C1CN(Cc2c([O-])ccc3ccccc32)CCN1C1CC1 ZINC000748271428 575181617 /nfs/dbraw/zinc/18/16/17/575181617.db2.gz WVMNNENDJIYLSE-UHFFFAOYSA-N -1 3 296.370 2.352 20 10 CECDHM COC1CCC(CNC(=O)c2cc([O-])cs2)CC1 ZINC000750249288 575255636 /nfs/dbraw/zinc/25/56/36/575255636.db2.gz DCTLTMRBWWDCOB-UHFFFAOYSA-N -1 3 269.366 2.389 20 10 CECDHM [O-]c1ccc(Br)cc1CN1CC(F)C1 ZINC000753575279 575330833 /nfs/dbraw/zinc/33/08/33/575330833.db2.gz HFOFQWXKEUIOIT-UHFFFAOYSA-N -1 3 260.106 2.308 20 10 CECDHM COc1ccc(C[NH2+]C2CCC(C(=O)[O-])CC2)c([O-])c1 ZINC000086735059 600007497 /nfs/dbraw/zinc/00/74/97/600007497.db2.gz GHGYVCBHMJCUAR-UHFFFAOYSA-N -1 3 279.336 2.134 20 10 CECDHM O=C([O-])NCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000832637099 604365522 /nfs/dbraw/zinc/36/55/22/604365522.db2.gz YULYDYNRIYKFRB-UHFFFAOYSA-N -1 3 278.352 2.404 20 10 CECDHM O=C([O-])NCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000832637099 604365527 /nfs/dbraw/zinc/36/55/27/604365527.db2.gz YULYDYNRIYKFRB-UHFFFAOYSA-N -1 3 278.352 2.404 20 10 CECDHM C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000833815501 605581680 /nfs/dbraw/zinc/58/16/80/605581680.db2.gz VUAALGPKMPZBNJ-QWRGUYRKSA-N -1 3 296.342 2.399 20 10 CECDHM C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000833815501 605581684 /nfs/dbraw/zinc/58/16/84/605581684.db2.gz VUAALGPKMPZBNJ-QWRGUYRKSA-N -1 3 296.342 2.399 20 10 CECDHM C[C@H](Cc1c[nH]cn1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761019 622932307 /nfs/dbraw/zinc/93/23/07/622932307.db2.gz INSUDESJFCRXIR-SECBINFHSA-N -1 3 293.754 2.264 20 10 CECDHM C[C@H](Cc1cnc[nH]1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761019 622932310 /nfs/dbraw/zinc/93/23/10/622932310.db2.gz INSUDESJFCRXIR-SECBINFHSA-N -1 3 293.754 2.264 20 10 CECDHM Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])nc1 ZINC000177661867 625807913 /nfs/dbraw/zinc/80/79/13/625807913.db2.gz ZAZXKOQZBRKGAQ-UHFFFAOYSA-N -1 3 258.277 2.362 20 10 CECDHM CCOC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000313490717 628609850 /nfs/dbraw/zinc/60/98/50/628609850.db2.gz YZFRCBYINRQAES-LLVKDONJSA-N -1 3 279.336 2.129 20 10 CECDHM COC(=O)[C@@H](C)NCc1c([O-])cc(C)cc1Cl ZINC000840941348 628777805 /nfs/dbraw/zinc/77/78/05/628777805.db2.gz UZTMYSQYCNMSMP-MRVPVSSYSA-N -1 3 257.717 2.005 20 10 CECDHM CCN1CCN(Cc2cc(F)cc(F)c2[O-])[C@H](C)C1 ZINC000894745194 629615036 /nfs/dbraw/zinc/61/50/36/629615036.db2.gz BPRWVPGEUAHWJZ-SNVBAGLBSA-N -1 3 270.323 2.196 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](c2ccccn2)C1 ZINC000799065320 630968616 /nfs/dbraw/zinc/96/86/16/630968616.db2.gz FCSFSQCPPGPWPL-LLVKDONJSA-N -1 3 284.315 2.123 20 10 CECDHM COc1nn(C)cc1CNCc1c([O-])cccc1Cl ZINC000898028784 632021770 /nfs/dbraw/zinc/02/17/70/632021770.db2.gz XZEAKYBZAKDMAK-UHFFFAOYSA-N -1 3 281.743 2.078 20 10 CECDHM C[C@@H](NCc1cncn1C)c1cc(F)cc(F)c1[O-] ZINC000810244297 632198336 /nfs/dbraw/zinc/19/83/36/632198336.db2.gz ZPEJNTXDLQIDJY-MRVPVSSYSA-N -1 3 267.279 2.255 20 10 CECDHM O=C(NC[C@H]1CC12CCSCC2)c1cccc(O)c1[O-] ZINC000817620077 633708637 /nfs/dbraw/zinc/70/86/37/633708637.db2.gz FYLGJCTWNCTSKW-SNVBAGLBSA-N -1 3 293.388 2.361 20 10 CECDHM CCn1nc(C)c(CN[C@H](C)c2ccc(F)cc2[O-])n1 ZINC000818347426 633915009 /nfs/dbraw/zinc/91/50/09/633915009.db2.gz ZQKKYORZLQYPEX-SECBINFHSA-N -1 3 278.331 2.302 20 10 CECDHM NCc1nc2c(s1)CCN(Cc1cccc(F)c1[O-])C2 ZINC000903942864 635376069 /nfs/dbraw/zinc/37/60/69/635376069.db2.gz WPSIPIWPQAWTIS-UHFFFAOYSA-N -1 3 293.367 2.005 20 10 CECDHM CN(Cc1cc(Cl)cc(F)c1[O-])C[C@@H]1COCCO1 ZINC000827141558 636232877 /nfs/dbraw/zinc/23/28/77/636232877.db2.gz UKNXCXWXBKELKG-LLVKDONJSA-N -1 3 289.734 2.032 20 10 CECDHM CC(C)CNC(=S)NCc1c([O-])cccc1F ZINC000905661461 636370402 /nfs/dbraw/zinc/37/04/02/636370402.db2.gz NHXDFWUGSZBYSB-UHFFFAOYSA-N -1 3 256.346 2.151 20 10 CECDHM O=C(NCc1c([O-])cccc1F)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000830181177 637002383 /nfs/dbraw/zinc/00/23/83/637002383.db2.gz XQBGYGZDXCQNRU-DVOKIVJVSA-N -1 3 275.323 2.440 20 10 CECDHM Cc1cc([O-])c(CNCC(F)(F)CO)c(Cl)c1 ZINC000840937516 639593003 /nfs/dbraw/zinc/59/30/03/639593003.db2.gz INGDOEKPAFCXFD-UHFFFAOYSA-N -1 3 265.687 2.071 20 10 CECDHM Cc1cc([O-])c(CN2CC(=O)N(C3CC3)C2)c(Cl)c1 ZINC000840940961 639593900 /nfs/dbraw/zinc/59/39/00/639593900.db2.gz KNGFYTWKCQEUDI-UHFFFAOYSA-N -1 3 280.755 2.118 20 10 CECDHM C[C@H](Cc1ccco1)NC(=O)c1cccc(O)c1[O-] ZINC000126301060 650538284 /nfs/dbraw/zinc/53/82/84/650538284.db2.gz JRKXEWBNNAZOSH-SECBINFHSA-N -1 3 261.277 2.052 20 10 CECDHM CCOc1ccc(C[NH+]2CCC(C)(C(=O)[O-])CC2)c([O-])c1 ZINC000843040118 640247695 /nfs/dbraw/zinc/24/76/95/640247695.db2.gz GKHLJXBYZYXSCK-UHFFFAOYSA-N -1 3 293.363 2.478 20 10 CECDHM CCCOCCOC(=O)NCc1c([O-])cccc1F ZINC000921451446 641283975 /nfs/dbraw/zinc/28/39/75/641283975.db2.gz PWKLCHLUFODSDZ-UHFFFAOYSA-N -1 3 271.288 2.184 20 10 CECDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)C1CCOCC1 ZINC000921477189 641290418 /nfs/dbraw/zinc/29/04/18/641290418.db2.gz ZWNCNAPVPHHXKG-SNVBAGLBSA-N -1 3 296.342 2.146 20 10 CECDHM Cc1ncc(NC(=O)c2cccc(O)c2[O-])c(C2CC2)n1 ZINC000848031483 641875085 /nfs/dbraw/zinc/87/50/85/641875085.db2.gz FSYOCGDROPGQRV-UHFFFAOYSA-N -1 3 285.303 2.326 20 10 CECDHM [O-]c1c(CN[C@H](CCO)c2ccco2)ccc(F)c1F ZINC000877397064 650705372 /nfs/dbraw/zinc/70/53/72/650705372.db2.gz CTFODBSNKOWKPT-LLVKDONJSA-N -1 3 283.274 2.477 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](c2ccncc2)C1 ZINC000848101102 641892290 /nfs/dbraw/zinc/89/22/90/641892290.db2.gz KRMPWNSBFLSDHH-GFCCVEGCSA-N -1 3 284.315 2.123 20 10 CECDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])C1(CO)CCC1 ZINC000848122393 641900668 /nfs/dbraw/zinc/90/06/68/641900668.db2.gz SFHNFJORMNRYRP-AWEZNQCLSA-N -1 3 293.363 2.015 20 10 CECDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])Oc1ccccc1 ZINC000185654837 642012078 /nfs/dbraw/zinc/01/20/78/642012078.db2.gz JKAJYFIWZVEREI-NSHDSACASA-N -1 3 287.315 2.295 20 10 CECDHM C[C@H]1CSC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922438031 643071885 /nfs/dbraw/zinc/07/18/85/643071885.db2.gz LEQFJWYJKKDTRZ-GZMMTYOYSA-N -1 3 284.356 2.082 20 10 CECDHM COc1ccc(C)nc1NC(=O)c1cccc(O)c1[O-] ZINC000187161325 643702242 /nfs/dbraw/zinc/70/22/42/643702242.db2.gz MKTXGCBMGAOPBJ-UHFFFAOYSA-N -1 3 274.276 2.062 20 10 CECDHM CCOc1ccc(C[NH2+]CC2(C(=O)[O-])CCC2)c([O-])c1 ZINC000854244615 644022064 /nfs/dbraw/zinc/02/20/64/644022064.db2.gz MFGRZSHYNBCIHG-UHFFFAOYSA-N -1 3 279.336 2.135 20 10 CECDHM C[C@@H](NCc1cc[nH]n1)c1cc(F)cc(F)c1[O-] ZINC000756552610 644663363 /nfs/dbraw/zinc/66/33/63/644663363.db2.gz GPDITJOTOVVDQG-SSDOTTSWSA-N -1 3 253.252 2.244 20 10 CECDHM CC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])[C@H](C)C1 ZINC000769447754 646267571 /nfs/dbraw/zinc/26/75/71/646267571.db2.gz KWLPMHXQTNDLPB-SNVBAGLBSA-N -1 3 282.771 2.098 20 10 CECDHM CC1(C)C[C@H](CNC(=O)c2cccc(O)c2[O-])C(C)(C)O1 ZINC000885839362 646883019 /nfs/dbraw/zinc/88/30/19/646883019.db2.gz IMGVLCNKKDGLRA-SNVBAGLBSA-N -1 3 293.363 2.421 20 10 CECDHM Cc1ccc(C(=O)Nc2ccnc(N(C)C)c2)c([O-])c1O ZINC000780961507 647485087 /nfs/dbraw/zinc/48/50/87/647485087.db2.gz XHNBRDQNLFFUBX-UHFFFAOYSA-N -1 3 287.319 2.120 20 10 CECDHM Cc1ccc(C(=O)Nc2ccnn2CC2CC2)c([O-])c1O ZINC000780983640 647488313 /nfs/dbraw/zinc/48/83/13/647488313.db2.gz MNMMELGHRMHOKF-UHFFFAOYSA-N -1 3 287.319 2.265 20 10 CECDHM C[C@H]1C[C@H](O)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000788270797 648167999 /nfs/dbraw/zinc/16/79/99/648167999.db2.gz RURAHZQUSDUWCY-XVKPBYJWSA-N -1 3 259.708 2.140 20 10 CECDHM CO[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792164645 648617322 /nfs/dbraw/zinc/61/73/22/648617322.db2.gz BRMYKRGGJPPAKD-MRVPVSSYSA-N -1 3 259.708 2.405 20 10 CECDHM Cn1ccc(CNCc2c([O-])cccc2Cl)n1 ZINC000213195366 652236462 /nfs/dbraw/zinc/23/64/62/652236462.db2.gz ZFDCGLZGPPSIMA-UHFFFAOYSA-N -1 3 251.717 2.069 20 10 CECDHM O=C(N[C@@H](C1CC1)[C@H]1CCCOC1)c1cccc(O)c1[O-] ZINC000885478661 653013386 /nfs/dbraw/zinc/01/33/86/653013386.db2.gz KXYONVXVCDZRLG-FZMZJTMJSA-N -1 3 291.347 2.033 20 10 CECDHM C[C@@H]1CC[C@@H](O)CN1Cc1c([O-])cc(F)cc1F ZINC001140582128 803177899 /nfs/dbraw/zinc/17/78/99/803177899.db2.gz DLOXZHMPERDWKH-PSASIEDQSA-N -1 3 257.280 2.016 20 10 CECDHM COC(=O)[C@H]1CCCN(Cc2c([O-])cc(F)cc2F)[C@H]1C ZINC001140583948 803183067 /nfs/dbraw/zinc/18/30/67/803183067.db2.gz ZQKNGUKDZDVGNK-ONGXEEELSA-N -1 3 299.317 2.444 20 10 CECDHM Cn1c(=O)cc(-c2cncc([O-])c2)c2ccccc21 ZINC001236584686 808126184 /nfs/dbraw/zinc/12/61/84/808126184.db2.gz JTKVESUHCMCBLU-UHFFFAOYSA-N -1 3 252.273 2.306 20 10 CECDHM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589793 814591746 /nfs/dbraw/zinc/59/17/46/814591746.db2.gz LGLKJUGZWJSRSH-RKDXNWHRSA-N -1 3 267.325 2.358 20 10 CECDHM C[C@@H]1CCCC[C@H]1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148585921 814591968 /nfs/dbraw/zinc/59/19/68/814591968.db2.gz DXKKNDJBGTXIST-ZJUUUORDSA-N -1 3 279.336 2.360 20 10 CECDHM COC1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139683507 814731785 /nfs/dbraw/zinc/73/17/85/814731785.db2.gz DIULXEUSMFZMLR-UHFFFAOYSA-N -1 3 257.280 2.281 20 10 CECDHM CCOC(=O)[C@H]1CN(Cc2cccc(F)c2[O-])CCS1 ZINC001138129863 815735141 /nfs/dbraw/zinc/73/51/41/815735141.db2.gz XDGNFDREDKVOOI-GFCCVEGCSA-N -1 3 299.367 2.012 20 10 CECDHM COC(=O)CC1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139681541 816079309 /nfs/dbraw/zinc/07/93/09/816079309.db2.gz SOPOYNBWTDTLGE-UHFFFAOYSA-N -1 3 299.317 2.446 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CCN(C2CCC2)CC1 ZINC001139685600 816081128 /nfs/dbraw/zinc/08/11/28/816081128.db2.gz PHBFNFNPUNPRSV-UHFFFAOYSA-N -1 3 282.334 2.341 20 10 CECDHM [O-]c1ccc(F)cc1CN1CC2(C1)CC(F)(F)CO2 ZINC001140058778 816181399 /nfs/dbraw/zinc/18/13/99/816181399.db2.gz LHFONSCCLAGGFI-UHFFFAOYSA-N -1 3 273.254 2.141 20 10 CECDHM CCN(Cc1c([O-])cccc1Br)C1COC1 ZINC001140101493 816189731 /nfs/dbraw/zinc/18/97/31/816189731.db2.gz WAVQGAHDGOFLRU-UHFFFAOYSA-N -1 3 286.169 2.375 20 10 CECDHM CO[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H]1F ZINC001140337820 816238348 /nfs/dbraw/zinc/23/83/48/816238348.db2.gz GYNHYKUMGYBDSZ-JQWIXIFHSA-N -1 3 259.708 2.214 20 10 CECDHM CCOC(=O)CN(C)Cc1ccc(Cl)cc1[O-] ZINC001140463111 816260555 /nfs/dbraw/zinc/26/05/55/816260555.db2.gz SQTXIYDGFCQHLN-UHFFFAOYSA-N -1 3 257.717 2.041 20 10 CECDHM O=C1CCC[C@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@H]12 ZINC001140584864 816294743 /nfs/dbraw/zinc/29/47/43/816294743.db2.gz HRLDVVDQBMDTME-ONGXEEELSA-N -1 3 281.302 2.471 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H](n2ccnn2)C1 ZINC001142531280 816680233 /nfs/dbraw/zinc/68/02/33/816680233.db2.gz RSTVMVITYUZXAO-LLVKDONJSA-N -1 3 294.305 2.099 20 10 CECDHM CCC1(O)CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000079464997 343980943 /nfs/dbraw/zinc/98/09/43/343980943.db2.gz NLVPFKMXOHHOJV-UHFFFAOYSA-N -1 3 295.354 2.471 20 10 CECDHM C[C@H]1SCCN(C(=O)c2cccc(O)c2[O-])[C@H]1C ZINC000126565113 344324811 /nfs/dbraw/zinc/32/48/11/344324811.db2.gz ZDEPKSJRAPYXFR-DTWKUNHWSA-N -1 3 267.350 2.064 20 10 CECDHM CCOC(=O)[C@@H]1CCCCN1Cc1ccccc1[O-] ZINC000004616419 361324450 /nfs/dbraw/zinc/32/44/50/361324450.db2.gz FPBGQOZZSUJTKU-ZDUSSCGKSA-N -1 3 263.337 2.310 20 10 CECDHM NC(=O)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000157148771 366840752 /nfs/dbraw/zinc/84/07/52/366840752.db2.gz ZAPPRWWUAOZYCG-ZETCQYMHSA-N -1 3 289.162 2.006 20 10 CECDHM CN(Cc1nnc(C2CC2)n1C)Cc1ccccc1[O-] ZINC000111235538 364724595 /nfs/dbraw/zinc/72/45/95/364724595.db2.gz DPMQSIJLFJFQLU-UHFFFAOYSA-N -1 3 272.352 2.030 20 10 CECDHM CC(C)CN(C(=O)CN(C)Cc1ccccc1[O-])C1CC1 ZINC000111236375 364726545 /nfs/dbraw/zinc/72/65/45/364726545.db2.gz NUMYBNFSXOGFBG-UHFFFAOYSA-N -1 3 290.407 2.471 20 10 CECDHM Cc1nnc(NCc2c([O-])cccc2Cl)n1C ZINC000162041372 367133381 /nfs/dbraw/zinc/13/33/81/367133381.db2.gz MSXZWBFUUTZZHY-UHFFFAOYSA-N -1 3 252.705 2.095 20 10 CECDHM CCN(Cc1cc(F)ccc1[O-])C[C@@H](O)C(F)(F)F ZINC000189880080 369575699 /nfs/dbraw/zinc/57/56/99/369575699.db2.gz WTFYOCGXODQDBT-LLVKDONJSA-N -1 3 281.249 2.276 20 10 CECDHM COC(=O)[C@@H](C)NCc1cc(Cl)cc(C)c1[O-] ZINC000193094968 369892137 /nfs/dbraw/zinc/89/21/37/369892137.db2.gz DWAYQPVXKQSDQV-MRVPVSSYSA-N -1 3 257.717 2.005 20 10 CECDHM CC(C)[C@H]1OCCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000193128168 369897107 /nfs/dbraw/zinc/89/71/07/369897107.db2.gz QBNRMKAMMVJUBS-XHDPSFHLSA-N -1 3 293.363 2.279 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@@]12CCOC2 ZINC000195010955 370096271 /nfs/dbraw/zinc/09/62/71/370096271.db2.gz RHDMFLNQNWVICW-AWEZNQCLSA-N -1 3 283.755 2.037 20 10 CECDHM CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000189412311 284302764 /nfs/dbraw/zinc/30/27/64/284302764.db2.gz QAVQWWOZQSWLPO-RKDXNWHRSA-N -1 3 286.322 2.188 20 10 CECDHM CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H]1O ZINC000270835108 372974701 /nfs/dbraw/zinc/97/47/01/372974701.db2.gz DDYJJRNICYVRPI-HZMBPMFUSA-N -1 3 297.782 2.451 20 10 CECDHM CC(=O)c1cc(F)cc(CN2[C@@H](CO)CCC[C@@H]2C)c1[O-] ZINC000272697737 373619120 /nfs/dbraw/zinc/61/91/20/373619120.db2.gz VPHMXEKKOIMKPZ-IINYFYTJSA-N -1 3 295.354 2.469 20 10 CECDHM Cc1ccc(C(=O)N[C@H]2CCO[C@H](C(C)C)C2)c([O-])c1O ZINC000272909350 373706172 /nfs/dbraw/zinc/70/61/72/373706172.db2.gz CVNDAMNVSGZSPF-AAEUAGOBSA-N -1 3 293.363 2.340 20 10 CECDHM [O-]c1c(F)cccc1CN1CCC[C@H]2COC[C@H]21 ZINC000375707335 374672357 /nfs/dbraw/zinc/67/23/57/374672357.db2.gz YJNDWLFSOLZJDA-WCQYABFASA-N -1 3 251.301 2.142 20 10 CECDHM CCCCN(Cc1cnnn1C)Cc1ccccc1[O-] ZINC000282830150 375587774 /nfs/dbraw/zinc/58/77/74/375587774.db2.gz BPXCFHKREPZPLU-UHFFFAOYSA-N -1 3 274.368 2.323 20 10 CECDHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCOC1 ZINC000295228532 378060109 /nfs/dbraw/zinc/06/01/09/378060109.db2.gz CPLYNSMKOGYGJI-VIFPVBQESA-N -1 3 259.708 2.405 20 10 CECDHM CCN(CC)C(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000109769039 394735238 /nfs/dbraw/zinc/73/52/38/394735238.db2.gz RRHBYVIVCJFHBJ-LBPRGKRZSA-N -1 3 264.369 2.081 20 10 CECDHM Cc1cc(Br)cc(CN2CC[C@H](O)C2)c1[O-] ZINC000132491796 394931919 /nfs/dbraw/zinc/93/19/19/394931919.db2.gz VQMBDDVXDIFWDC-NSHDSACASA-N -1 3 286.169 2.030 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC(C)(O)CC2)c1[O-] ZINC000161196580 395063446 /nfs/dbraw/zinc/06/34/46/395063446.db2.gz UQRUVAKGMKHLID-UHFFFAOYSA-N -1 3 281.327 2.081 20 10 CECDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000373634445 395064049 /nfs/dbraw/zinc/06/40/49/395064049.db2.gz FAWQULBBIYKYFV-MLGOLLRUSA-N -1 3 295.354 2.301 20 10 CECDHM CC(C)OC[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000372123957 395035053 /nfs/dbraw/zinc/03/50/53/395035053.db2.gz GRCJXIBKOMHWRU-CQSZACIVSA-N -1 3 283.343 2.157 20 10 CECDHM CN(C(=O)/C=C/c1cncc([O-])c1)c1ccc2c(c1)OCO2 ZINC000182160581 395234571 /nfs/dbraw/zinc/23/45/71/395234571.db2.gz DRIPKYDQLZOCFO-GORDUTHDSA-N -1 3 298.298 2.192 20 10 CECDHM [O-]c1ccccc1CN1CCN(Cc2ccccn2)CC1 ZINC000179554556 395195514 /nfs/dbraw/zinc/19/55/14/395195514.db2.gz QQURYUJJCIZUPJ-UHFFFAOYSA-N -1 3 283.375 2.105 20 10 CECDHM CC[C@@H](N[C@H](C(N)=O)c1ccccn1)c1ccc(C)cc1[O-] ZINC000296639292 395324501 /nfs/dbraw/zinc/32/45/01/395324501.db2.gz BYABNYRLPRWFOO-CJNGLKHVSA-N -1 3 299.374 2.363 20 10 CECDHM CO[C@]1(C)C[C@@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000185778362 262069455 /nfs/dbraw/zinc/06/94/55/262069455.db2.gz RPWXRIDWDSBCER-IAQYHMDHSA-N -1 3 279.336 2.031 20 10 CECDHM CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(F)cc1[O-] ZINC000186029907 262075952 /nfs/dbraw/zinc/07/59/52/262075952.db2.gz OAINZQAJJNTLQL-VHSXEESVSA-N -1 3 289.372 2.005 20 10 CECDHM C[C@H](NC[C@@H](O)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276947822 263038828 /nfs/dbraw/zinc/03/88/28/263038828.db2.gz QJPSZPUQWBWUON-YLWLKBPMSA-N -1 3 285.212 2.244 20 10 CECDHM [O-]c1c(F)cccc1CN1CCN([C@@H]2CCSC2)CC1 ZINC000368592511 267190221 /nfs/dbraw/zinc/19/02/21/267190221.db2.gz QLNKTBYYFXQCLV-CYBMUJFWSA-N -1 3 296.411 2.154 20 10 CECDHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C1(C)C ZINC000185716716 327842861 /nfs/dbraw/zinc/84/28/61/327842861.db2.gz GUSSLHRGMOMTSE-CHWSQXEVSA-N -1 3 293.363 2.373 20 10 CECDHM CCn1ncc(CN[C@H](C)c2ccc(C)cc2[O-])n1 ZINC000527924462 330296151 /nfs/dbraw/zinc/29/61/51/330296151.db2.gz PPCXNRGNKAMEFX-LLVKDONJSA-N -1 3 260.341 2.163 20 10 CECDHM CC[C@H](NCc1nncn1CC)c1ccccc1[O-] ZINC000230971666 333323258 /nfs/dbraw/zinc/32/32/58/333323258.db2.gz DTZRYHRZUNSZHG-LBPRGKRZSA-N -1 3 260.341 2.245 20 10 CECDHM COc1cc(Cl)cc(CN2CCO[C@@H]3C[C@@H]32)c1[O-] ZINC000366563128 522537456 /nfs/dbraw/zinc/53/74/56/522537456.db2.gz XHSHXXSBITUYPK-WDEREUQCSA-N -1 3 269.728 2.027 20 10 CECDHM CCOC(=O)[C@@H](CC)N(C)Cc1ccccc1[O-] ZINC000072629599 521049950 /nfs/dbraw/zinc/04/99/50/521049950.db2.gz VGXVHQQVLZGKNA-GFCCVEGCSA-N -1 3 251.326 2.166 20 10 CECDHM CO[C@@]1(C)CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000279617859 523804452 /nfs/dbraw/zinc/80/44/52/523804452.db2.gz CGQUXVYMMBZOCZ-HNNXBMFYSA-N -1 3 279.336 2.047 20 10 CECDHM CN1CCc2cc(CNC(=O)c3cccc(O)c3[O-])ccc21 ZINC000365757815 523996877 /nfs/dbraw/zinc/99/68/77/523996877.db2.gz JTOLWLUMXYHWCJ-UHFFFAOYSA-N -1 3 298.342 2.020 20 10 CECDHM CN1Cc2ccccc2[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000369082900 524029609 /nfs/dbraw/zinc/02/96/09/524029609.db2.gz GWRZTLKGQAPWIP-CQSZACIVSA-N -1 3 298.342 2.014 20 10 CECDHM Cc1ccc(C(=O)N2CCO[C@H](C(C)(C)C)C2)c([O-])c1O ZINC000279753972 526120886 /nfs/dbraw/zinc/12/08/86/526120886.db2.gz LITCDEXUJBFBQW-LBPRGKRZSA-N -1 3 293.363 2.293 20 10 CECDHM [O-]c1ccccc1CN1CC(O)(c2ccc(F)cc2)C1 ZINC000365670107 526371759 /nfs/dbraw/zinc/37/17/59/526371759.db2.gz DVZRHVFOKVKSAS-UHFFFAOYSA-N -1 3 273.307 2.235 20 10 CECDHM O=C(NC[C@@H]1COc2ccccc2C1)c1cc([O-])cs1 ZINC000731871454 574604433 /nfs/dbraw/zinc/60/44/33/574604433.db2.gz LLNICFJGCWJOSX-SNVBAGLBSA-N -1 3 289.356 2.435 20 10 CECDHM CC(C)n1nccc1NC(=O)c1cc([O-])cs1 ZINC000731867866 574604898 /nfs/dbraw/zinc/60/48/98/574604898.db2.gz ZFJNQMSZIJHNEI-UHFFFAOYSA-N -1 3 251.311 2.483 20 10 CECDHM O=C(NC[C@@H]1COc2ccccc2O1)c1cc([O-])cs1 ZINC000731867213 574604911 /nfs/dbraw/zinc/60/49/11/574604911.db2.gz ZMVFHHWBCZTRPL-SNVBAGLBSA-N -1 3 291.328 2.024 20 10 CECDHM COc1cccc(CNC(=O)c2cc([O-])cs2)c1O ZINC000732284117 574617808 /nfs/dbraw/zinc/61/78/08/574617808.db2.gz IRYXZTUNNXGQAY-UHFFFAOYSA-N -1 3 279.317 2.098 20 10 CECDHM O=C(NCc1nc2ccccc2[nH]1)c1cc([O-])cs1 ZINC000732285406 574618101 /nfs/dbraw/zinc/61/81/01/574618101.db2.gz DVIMVKCVPAFKBR-UHFFFAOYSA-N -1 3 273.317 2.260 20 10 CECDHM O=C(NCCCOCC(F)(F)F)c1cc([O-])cs1 ZINC000732269858 574616698 /nfs/dbraw/zinc/61/66/98/574616698.db2.gz ZHBPQNQVQKVPBB-UHFFFAOYSA-N -1 3 283.271 2.153 20 10 CECDHM CC(C)CN(C(=O)COC(=O)c1cc([O-])cs1)C1CC1 ZINC000732354115 574619704 /nfs/dbraw/zinc/61/97/04/574619704.db2.gz PBVPNYZJELQULN-UHFFFAOYSA-N -1 3 297.376 2.258 20 10 CECDHM COC1CCC(N(C)C(=O)c2cc([O-])cs2)CC1 ZINC000734555415 574719987 /nfs/dbraw/zinc/71/99/87/574719987.db2.gz RXCFLPPYMUAEHM-UHFFFAOYSA-N -1 3 269.366 2.483 20 10 CECDHM COc1ccc2ccc([O-])c(CN3CC(OC)C3)c2c1 ZINC000738234744 574855735 /nfs/dbraw/zinc/85/57/35/574855735.db2.gz SSCQCQARRYSOIV-UHFFFAOYSA-N -1 3 273.332 2.385 20 10 CECDHM C[C@@](O)(CNC(=O)c1cc([O-])cs1)c1cccs1 ZINC000740155043 574945508 /nfs/dbraw/zinc/94/55/08/574945508.db2.gz AHDMWTILVWKEPD-GFCCVEGCSA-N -1 3 283.374 2.153 20 10 CECDHM O=C(Nc1cnn(CC(F)F)c1)c1cc([O-])cs1 ZINC000741287184 574980553 /nfs/dbraw/zinc/98/05/53/574980553.db2.gz OWGSUJUPOMBTRS-UHFFFAOYSA-N -1 3 273.264 2.168 20 10 CECDHM Cc1cc([C@@](C)(O)CNC(=O)c2cc([O-])cs2)c(C)o1 ZINC000743517107 575105695 /nfs/dbraw/zinc/10/56/95/575105695.db2.gz QBUUDUANHBCMGO-AWEZNQCLSA-N -1 3 295.360 2.301 20 10 CECDHM CN(Cc1nccs1)C(=O)c1cc([O-])cs1 ZINC000746413763 575155949 /nfs/dbraw/zinc/15/59/49/575155949.db2.gz NTYVLKCFLKWSOF-UHFFFAOYSA-N -1 3 254.336 2.182 20 10 CECDHM COC[C@@H](NC(=O)c1cc([O-])cs1)c1ccc(C)o1 ZINC000746697110 575163087 /nfs/dbraw/zinc/16/30/87/575163087.db2.gz LAHGXVBDDFXURY-SNVBAGLBSA-N -1 3 281.333 2.473 20 10 CECDHM O=C(NCCOCc1ccccc1)c1cc([O-])cs1 ZINC000746893921 575164951 /nfs/dbraw/zinc/16/49/51/575164951.db2.gz JDPPWNKXGQDJGV-UHFFFAOYSA-N -1 3 277.345 2.400 20 10 CECDHM Cc1ccc(C(=O)NC[C@@H]2Cc3ccccc3O2)c([O-])c1O ZINC000751534649 575291558 /nfs/dbraw/zinc/29/15/58/575291558.db2.gz YUICTCHXHRFLRG-LBPRGKRZSA-N -1 3 299.326 2.140 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC[C@H]1c1ncc[nH]1 ZINC000753436315 575326351 /nfs/dbraw/zinc/32/63/51/575326351.db2.gz ZQSZOHIEPWQXKI-VIFPVBQESA-N -1 3 263.322 2.154 20 10 CECDHM Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000820976961 598182515 /nfs/dbraw/zinc/18/25/15/598182515.db2.gz YEWPDENRTBNJFZ-SECBINFHSA-N -1 3 269.728 2.261 20 10 CECDHM Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000820976961 598182516 /nfs/dbraw/zinc/18/25/16/598182516.db2.gz YEWPDENRTBNJFZ-SECBINFHSA-N -1 3 269.728 2.261 20 10 CECDHM O=C([O-])[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC000405314552 605479949 /nfs/dbraw/zinc/47/99/49/605479949.db2.gz HXZOPDRXDFLEFB-LBPRGKRZSA-N -1 3 279.311 2.218 20 10 CECDHM C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000833815503 605581720 /nfs/dbraw/zinc/58/17/20/605581720.db2.gz VUAALGPKMPZBNJ-WDEREUQCSA-N -1 3 296.342 2.399 20 10 CECDHM C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000833815503 605581725 /nfs/dbraw/zinc/58/17/25/605581725.db2.gz VUAALGPKMPZBNJ-WDEREUQCSA-N -1 3 296.342 2.399 20 10 CECDHM C[C@H](CC[NH2+][C@@H](C)c1ccccc1[O-])NC(=O)[O-] ZINC000833805154 606043553 /nfs/dbraw/zinc/04/35/53/606043553.db2.gz NBSYXFFJRXTFSN-ZJUUUORDSA-N -1 3 252.314 2.089 20 10 CECDHM O=C(N[C@@H](c1ccncc1)C1CC1)c1cccc(O)c1[O-] ZINC000890907228 623057779 /nfs/dbraw/zinc/05/77/79/623057779.db2.gz CNNUKYSGXCZDBI-CQSZACIVSA-N -1 3 284.315 2.374 20 10 CECDHM CC(=O)NC[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000893864797 629020833 /nfs/dbraw/zinc/02/08/33/629020833.db2.gz DKZFWCGWCIGGTJ-LLVKDONJSA-N -1 3 298.333 2.019 20 10 CECDHM C[C@H](O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893995365 629075648 /nfs/dbraw/zinc/07/56/48/629075648.db2.gz VOVKTNXOGVMEHB-VIFPVBQESA-N -1 3 271.307 2.263 20 10 CECDHM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])[C@@H](C)CN1C ZINC000894482277 629481341 /nfs/dbraw/zinc/48/13/41/629481341.db2.gz BJVQHGVLABQZIC-UWVGGRQHSA-N -1 3 270.323 2.195 20 10 CECDHM O=C(NCc1c([O-])cccc1F)c1ocnc1C1CC1 ZINC000928705229 631127832 /nfs/dbraw/zinc/12/78/32/631127832.db2.gz FATGCWZQGASLEB-UHFFFAOYSA-N -1 3 276.267 2.327 20 10 CECDHM CC1(C)CCN(Cc2cccc(F)c2[O-])CC[S@]1=O ZINC000322101099 631723485 /nfs/dbraw/zinc/72/34/85/631723485.db2.gz JFZJLATVLMETIR-LJQANCHMSA-N -1 3 285.384 2.264 20 10 CECDHM Cc1cc([O-])c(CN2CC3(C2)CCNC(=O)O3)c(Cl)c1 ZINC000897749473 631890748 /nfs/dbraw/zinc/89/07/48/631890748.db2.gz KXDNKRMVFCDJMX-UHFFFAOYSA-N -1 3 296.754 2.038 20 10 CECDHM CC(C)OC(=O)C(C)(C)NCc1cc(F)ccc1[O-] ZINC000898507503 632522304 /nfs/dbraw/zinc/52/23/04/632522304.db2.gz UOBFXADTDRGXIW-UHFFFAOYSA-N -1 3 269.316 2.351 20 10 CECDHM [O-]c1c(CNCC(F)(F)CO)ccc2ccccc12 ZINC000816570680 633415093 /nfs/dbraw/zinc/41/50/93/633415093.db2.gz CRPGGOULBOVZCY-UHFFFAOYSA-N -1 3 267.275 2.263 20 10 CECDHM COC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC000824835926 635507100 /nfs/dbraw/zinc/50/71/00/635507100.db2.gz CSDVTPLSVNNDRU-LBPRGKRZSA-N -1 3 285.771 2.201 20 10 CECDHM COCCOC1CN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000825413525 635634217 /nfs/dbraw/zinc/63/42/17/635634217.db2.gz YRVHTSZBZUSJNP-UHFFFAOYSA-N -1 3 285.771 2.201 20 10 CECDHM COCC1(CNC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000837113245 639062653 /nfs/dbraw/zinc/06/26/53/639062653.db2.gz VXLLCXMZLGCUQR-UHFFFAOYSA-N -1 3 279.336 2.034 20 10 CECDHM Cc1cc([O-])c(CNCc2ccn(C)n2)c(Cl)c1 ZINC000840908735 639576154 /nfs/dbraw/zinc/57/61/54/639576154.db2.gz ZHGUWPHAPPZOAE-UHFFFAOYSA-N -1 3 265.744 2.377 20 10 CECDHM Cc1cc([O-])c(CN(C)CC(=O)NC2CC2)c(Cl)c1 ZINC000840909702 639582799 /nfs/dbraw/zinc/58/27/99/639582799.db2.gz KXFLOGMDPUSGOR-UHFFFAOYSA-N -1 3 282.771 2.064 20 10 CECDHM C[C@H](NCC(F)(F)CO)c1ccc(Cl)cc1[O-] ZINC000841751226 639858386 /nfs/dbraw/zinc/85/83/86/639858386.db2.gz GFEPPBSCEAJADI-ZETCQYMHSA-N -1 3 265.687 2.324 20 10 CECDHM CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000843041151 640248138 /nfs/dbraw/zinc/24/81/38/640248138.db2.gz OZNHDSIJQCEQCB-SMDDNHRTSA-N -1 3 293.363 2.334 20 10 CECDHM CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000843041151 640248142 /nfs/dbraw/zinc/24/81/42/640248142.db2.gz OZNHDSIJQCEQCB-SMDDNHRTSA-N -1 3 293.363 2.334 20 10 CECDHM COCCCCCNC(=O)NCc1c([O-])cccc1F ZINC000915383153 640552666 /nfs/dbraw/zinc/55/26/66/640552666.db2.gz HWSJGDQVIQHVEH-UHFFFAOYSA-N -1 3 284.331 2.147 20 10 CECDHM Cc1csc([C@@H](C)NC(=O)c2cccc(O)c2[O-])n1 ZINC000126441516 650661077 /nfs/dbraw/zinc/66/10/77/650661077.db2.gz YZALYFMBXGBIDW-MRVPVSSYSA-N -1 3 278.333 2.354 20 10 CECDHM O=C(NC[C@@H]1CCCCS1)c1cccc(O)c1[O-] ZINC000126489831 650695772 /nfs/dbraw/zinc/69/57/72/650695772.db2.gz XLCXAAOREVPIJN-VIFPVBQESA-N -1 3 267.350 2.113 20 10 CECDHM CC[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@H]1CCCO1 ZINC000921647456 642384247 /nfs/dbraw/zinc/38/42/47/642384247.db2.gz CWGBKPCXLIPQRC-TZMCWYRMSA-N -1 3 296.342 2.288 20 10 CECDHM C[C@H]1C[C@H](CNC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000921760349 642586593 /nfs/dbraw/zinc/58/65/93/642586593.db2.gz QEHBIYIYEQVNBK-WDEREUQCSA-N -1 3 296.342 2.146 20 10 CECDHM C[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1ccc(F)cc1[O-] ZINC000850499710 642732821 /nfs/dbraw/zinc/73/28/21/642732821.db2.gz VUHAXVKXIJVWJF-HOTUBEGUSA-N -1 3 276.315 2.479 20 10 CECDHM [O-]c1c(CN2C[C@@H]3C[C@H]2CS3)ccc(F)c1F ZINC000877586774 650801546 /nfs/dbraw/zinc/80/15/46/650801546.db2.gz RPYHJCXNHPCZFI-IUCAKERBSA-N -1 3 257.305 2.360 20 10 CECDHM CC1(C)SC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922381433 643054606 /nfs/dbraw/zinc/05/46/06/643054606.db2.gz CWMGKYWDEPNHTO-NSHDSACASA-N -1 3 284.356 2.225 20 10 CECDHM CCn1cnnc1NCc1c([O-])cccc1Cl ZINC000922660982 643189840 /nfs/dbraw/zinc/18/98/40/643189840.db2.gz XGKRBFDCUHYRQR-UHFFFAOYSA-N -1 3 252.705 2.269 20 10 CECDHM Cc1cc(CNC(=O)c2cccc(O)c2[O-])ccc1F ZINC000186822243 643347572 /nfs/dbraw/zinc/34/75/72/643347572.db2.gz PVZFBDAXLACFMU-UHFFFAOYSA-N -1 3 275.279 2.475 20 10 CECDHM O=C(Nc1nnc(C(F)F)s1)c1cccc(O)c1[O-] ZINC000187018429 643387568 /nfs/dbraw/zinc/38/75/68/643387568.db2.gz DTFXRRCOWSAXJG-UHFFFAOYSA-N -1 3 287.247 2.139 20 10 CECDHM C[C@@H](c1cccnc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000187031409 643430525 /nfs/dbraw/zinc/43/05/25/643430525.db2.gz JZNCQHSHWOZMOY-JTQLQIEISA-N -1 3 272.304 2.326 20 10 CECDHM CCOc1ccc(C[NH2+]C[C@H](C(=O)[O-])C2CCC2)c([O-])c1 ZINC000854247259 644021688 /nfs/dbraw/zinc/02/16/88/644021688.db2.gz XKRBIVPABVHMIP-AWEZNQCLSA-N -1 3 293.363 2.381 20 10 CECDHM Cc1nc(C(C)C)oc1CNC(=O)c1cccc(O)c1[O-] ZINC000854593803 644102970 /nfs/dbraw/zinc/10/29/70/644102970.db2.gz ZFXJCCQYIHKXDD-UHFFFAOYSA-N -1 3 290.319 2.448 20 10 CECDHM CN(Cc1nnc2n1CCC2)Cc1cc(Cl)ccc1[O-] ZINC000768223661 646098443 /nfs/dbraw/zinc/09/84/43/646098443.db2.gz NIJZUAAEBTXVDK-UHFFFAOYSA-N -1 3 292.770 2.215 20 10 CECDHM O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC000862441348 646460697 /nfs/dbraw/zinc/46/06/97/646460697.db2.gz QQUAXWLBNZBORO-OCAPTIKFSA-N -1 3 268.700 2.406 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CCSC[C@H]1CCO ZINC000775737496 646985586 /nfs/dbraw/zinc/98/55/86/646985586.db2.gz NHWCIVDHVUGFTE-LLVKDONJSA-N -1 3 287.812 2.345 20 10 CECDHM C[C@@H](C[S@@](C)=O)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000776521224 647067892 /nfs/dbraw/zinc/06/78/92/647067892.db2.gz MTEGTTYOVKBNKL-DCXZOGHSSA-N -1 3 293.791 2.384 20 10 CECDHM CCOc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000780957221 647484865 /nfs/dbraw/zinc/48/48/65/647484865.db2.gz XAUSASZQRGCHDL-UHFFFAOYSA-N -1 3 288.303 2.452 20 10 CECDHM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccnn1C ZINC000866615284 647842697 /nfs/dbraw/zinc/84/26/97/647842697.db2.gz TYZSFRZYFFKMPI-VHSXEESVSA-N -1 3 290.323 2.446 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@]2(CCCOC2)C1 ZINC000790843420 648455221 /nfs/dbraw/zinc/45/52/21/648455221.db2.gz GBJHIDNNOQFPSR-MRXNPFEDSA-N -1 3 291.347 2.131 20 10 CECDHM Cc1noc(C)c1CCCNC(=O)c1cccc(O)c1[O-] ZINC000790875871 648457760 /nfs/dbraw/zinc/45/77/60/648457760.db2.gz WPUDZAJGMGZNCV-UHFFFAOYSA-N -1 3 290.319 2.065 20 10 CECDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C)[S@@]1=O ZINC000792193236 648623334 /nfs/dbraw/zinc/62/33/34/648623334.db2.gz UIHPOVSKAKEJLN-LCKNKQDLSA-N -1 3 287.812 2.387 20 10 CECDHM CCOC1CN(Cc2c([O-])cc(OC)cc2Cl)C1 ZINC001236799183 808166464 /nfs/dbraw/zinc/16/64/64/808166464.db2.gz RZKATJIMZYIDDD-UHFFFAOYSA-N -1 3 271.744 2.275 20 10 CECDHM Cc1nocc1CNCc1ccc(F)c(F)c1[O-] ZINC000703416381 809648856 /nfs/dbraw/zinc/64/88/56/809648856.db2.gz AXZRGFSHIKSFBH-UHFFFAOYSA-N -1 3 254.236 2.257 20 10 CECDHM C[C@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000707134669 809881518 /nfs/dbraw/zinc/88/15/18/809881518.db2.gz JMWZIVIRXKIQSD-VIFPVBQESA-N -1 3 286.169 2.375 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@H](O)C2)c1[O-] ZINC000388201523 813230641 /nfs/dbraw/zinc/23/06/41/813230641.db2.gz SETBJLIDWUZGBW-AMIZOPFISA-N -1 3 283.755 2.061 20 10 CECDHM O=C(NC1CCC(F)(F)CC1)c1cccc(O)c1[O-] ZINC000390381782 813263448 /nfs/dbraw/zinc/26/34/48/813263448.db2.gz VMHZWOXVWNFEON-UHFFFAOYSA-N -1 3 271.263 2.406 20 10 CECDHM O=C(Nc1c[nH]c(Cl)cc1=O)c1cccc(O)c1[O-] ZINC001148212112 814536931 /nfs/dbraw/zinc/53/69/31/814536931.db2.gz MRMOOAUYNHOMLB-UHFFFAOYSA-N -1 3 280.667 2.104 20 10 CECDHM Cc1ccc([C@@H](C)NC(=O)c2cccc(O)c2[O-])nc1 ZINC001148219884 814537962 /nfs/dbraw/zinc/53/79/62/814537962.db2.gz DDVUAEVQBOBXMR-SNVBAGLBSA-N -1 3 272.304 2.292 20 10 CECDHM O=C(NCc1cc(F)c(F)c(F)c1)c1cccc(O)c1[O-] ZINC001148220210 814538011 /nfs/dbraw/zinc/53/80/11/814538011.db2.gz YQFQOPGUUIXNSB-UHFFFAOYSA-N -1 3 297.232 2.445 20 10 CECDHM C[C@H]1CN(Cc2c([O-])cccc2F)CCCC1=O ZINC001137832014 815691025 /nfs/dbraw/zinc/69/10/25/815691025.db2.gz XBFLLEUTIRLWGD-JTQLQIEISA-N -1 3 251.301 2.332 20 10 CECDHM C[C@@H]1CCN(Cc2c([O-])cccc2F)CCC1=O ZINC001137832977 815693295 /nfs/dbraw/zinc/69/32/95/815693295.db2.gz OIZCUQYNXLVCMP-SNVBAGLBSA-N -1 3 251.301 2.332 20 10 CECDHM [O-]c1ccc(F)cc1CN1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001140059134 816180446 /nfs/dbraw/zinc/18/04/46/816180446.db2.gz URDPOVRTWQXSKO-JBLDHEPKSA-N -1 3 291.244 2.435 20 10 CECDHM CN(Cc1ccc(Cl)cc1[O-])Cc1ncccn1 ZINC001140461834 816259793 /nfs/dbraw/zinc/25/97/93/816259793.db2.gz UTJQSBNIMZOOLW-UHFFFAOYSA-N -1 3 263.728 2.468 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCO[C@]2(CCOC2)C1 ZINC001140463245 816260877 /nfs/dbraw/zinc/26/08/77/816260877.db2.gz XPNCACGEWCJMPC-CQSZACIVSA-N -1 3 283.755 2.037 20 10 CECDHM C[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C[C@@]1(C)O ZINC001140583088 816292107 /nfs/dbraw/zinc/29/21/07/816292107.db2.gz VZBAJBXGVQRYKH-YMTOWFKASA-N -1 3 271.307 2.263 20 10 CECDHM O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1[O-] ZINC000086760118 179324557 /nfs/dbraw/zinc/32/45/57/179324557.db2.gz HZDHFSFCOFNRRJ-OAHLLOKOSA-N -1 3 283.327 2.404 20 10 CECDHM O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1[O-] ZINC000086760118 179324559 /nfs/dbraw/zinc/32/45/59/179324559.db2.gz HZDHFSFCOFNRRJ-OAHLLOKOSA-N -1 3 283.327 2.404 20 10 CECDHM CCNC(=O)CN(CC)Cc1cc(Cl)cc(C)c1[O-] ZINC000179596016 368344909 /nfs/dbraw/zinc/34/49/09/368344909.db2.gz SFNQDEOUNIPWSK-UHFFFAOYSA-N -1 3 284.787 2.312 20 10 CECDHM CCOC(=O)[C@H](NCc1ccccc1[O-])[C@H](C)CC ZINC000187863487 369239794 /nfs/dbraw/zinc/23/97/94/369239794.db2.gz DEDJBZWAOAFMOE-BXUZGUMPSA-N -1 3 265.353 2.460 20 10 CECDHM Cc1noc(C)c1C[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000193081813 369890626 /nfs/dbraw/zinc/89/06/26/369890626.db2.gz RLESXGWUDGXJAI-QMMMGPOBSA-N -1 3 290.319 2.064 20 10 CECDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000268838973 372248126 /nfs/dbraw/zinc/24/81/26/372248126.db2.gz MTBSYKMQTRBGFK-LBPRGKRZSA-N -1 3 288.307 2.191 20 10 CECDHM COC1CCC(N(C)C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000272720832 373630269 /nfs/dbraw/zinc/63/02/69/373630269.db2.gz HCJQSCPXOVMPAF-UHFFFAOYSA-N -1 3 293.363 2.436 20 10 CECDHM Cc1ccc(C(=O)NCCCc2nccs2)c([O-])c1O ZINC000272740410 373637334 /nfs/dbraw/zinc/63/73/34/373637334.db2.gz IJCKWPYWJMZGPQ-UHFFFAOYSA-N -1 3 292.360 2.225 20 10 CECDHM Cc1ccc(C(=O)N[C@@]2(C)CCO[C@@H]2C2CC2)c([O-])c1O ZINC000273446256 373757905 /nfs/dbraw/zinc/75/79/05/373757905.db2.gz GROCJZPAMUGHEW-ZBFHGGJFSA-N -1 3 291.347 2.094 20 10 CECDHM COCCn1cc(CN[C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000282848851 375593902 /nfs/dbraw/zinc/59/39/02/375593902.db2.gz TZHUBANRNPDTER-LLVKDONJSA-N -1 3 293.342 2.225 20 10 CECDHM COC(=O)c1ccc(CN(C)Cc2ccccc2[O-])nc1 ZINC000285749015 375842335 /nfs/dbraw/zinc/84/23/35/375842335.db2.gz VLEAXAFTSTXHFO-UHFFFAOYSA-N -1 3 286.331 2.206 20 10 CECDHM C[C@H](NCc1cc(Cl)c(F)cc1[O-])c1ncnn1C ZINC000294662999 378005038 /nfs/dbraw/zinc/00/50/38/378005038.db2.gz LOCSFSUBSGVBOY-ZETCQYMHSA-N -1 3 284.722 2.164 20 10 CECDHM C[C@H](C(=O)N1CCC(C)CC1)N(C)Cc1ccccc1[O-] ZINC000109771875 394734892 /nfs/dbraw/zinc/73/48/92/394734892.db2.gz HGEYRKZSIBIZQE-CQSZACIVSA-N -1 3 290.407 2.471 20 10 CECDHM C[C@@H](C(=O)NC1CCCC1)N(C)Cc1ccccc1[O-] ZINC000109773407 394735063 /nfs/dbraw/zinc/73/50/63/394735063.db2.gz BFYANOCTDQCURM-LBPRGKRZSA-N -1 3 276.380 2.271 20 10 CECDHM C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000365677456 394930449 /nfs/dbraw/zinc/93/04/49/394930449.db2.gz OMSCJFPKLBGOAP-YMTOWFKASA-N -1 3 285.299 2.350 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000153729636 395016956 /nfs/dbraw/zinc/01/69/56/395016956.db2.gz VJXNEIFKSOSLIL-MRXNPFEDSA-N -1 3 293.338 2.346 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC(C2CCCC2)C1 ZINC000373759342 395065511 /nfs/dbraw/zinc/06/55/11/395065511.db2.gz RYLHARPCCANHGZ-UHFFFAOYSA-N -1 3 261.321 2.360 20 10 CECDHM O=C(/C=C/c1cncc([O-])c1)N1CCCc2cccc(O)c21 ZINC000182173652 395235979 /nfs/dbraw/zinc/23/59/79/395235979.db2.gz BGOUGSJXQRBCTQ-VOTSOKGWSA-N -1 3 296.326 2.485 20 10 CECDHM O=C(/C=C/c1cncc(O)c1)N1CCCc2cccc([O-])c21 ZINC000182173652 395235981 /nfs/dbraw/zinc/23/59/81/395235981.db2.gz BGOUGSJXQRBCTQ-VOTSOKGWSA-N -1 3 296.326 2.485 20 10 CECDHM C[C@@H](N[C@H](C)c1cc(F)ccc1[O-])c1ncnn1C ZINC000276605540 287063128 /nfs/dbraw/zinc/06/31/28/287063128.db2.gz KTBUECQUUILUHK-RKDXNWHRSA-N -1 3 264.304 2.072 20 10 CECDHM C[C@H](O)C[C@H]1CCCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126645428 260355522 /nfs/dbraw/zinc/35/55/22/260355522.db2.gz ISWNNDCOUCXOFK-NWDGAFQWSA-N -1 3 293.363 2.254 20 10 CECDHM CCCC[C@H](NCc1cc(F)ccc1[O-])C(=O)OC ZINC000154566451 261092863 /nfs/dbraw/zinc/09/28/63/261092863.db2.gz WHHNFODDGNJQLS-LBPRGKRZSA-N -1 3 269.316 2.353 20 10 CECDHM CC(C)N1CC[C@@H](N[C@H](C)c2ccc(F)cc2[O-])C1=O ZINC000186047904 262077500 /nfs/dbraw/zinc/07/75/00/262077500.db2.gz XHZZLJZVJIJIFI-ZWNOBZJWSA-N -1 3 280.343 2.191 20 10 CECDHM C[C@@H](NCc1ncn(C)n1)c1cc(Cl)ccc1[O-] ZINC000186214046 262084726 /nfs/dbraw/zinc/08/47/26/262084726.db2.gz ROMWEEJVIWZENA-MRVPVSSYSA-N -1 3 266.732 2.025 20 10 CECDHM CCN1CCN(Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184671862 262291944 /nfs/dbraw/zinc/29/19/44/262291944.db2.gz DZAYSDSHZXGPJM-UHFFFAOYSA-N -1 3 284.787 2.192 20 10 CECDHM O=C(NCC1(c2ccccn2)CCC1)c1cccc(O)c1[O-] ZINC000367797792 267117987 /nfs/dbraw/zinc/11/79/87/267117987.db2.gz AYPVUXWGDRHVHA-UHFFFAOYSA-N -1 3 298.342 2.345 20 10 CECDHM Cc1ccc(C(=O)N2CCC[C@H]2C2CC2)c([O-])c1O ZINC000368003836 267133618 /nfs/dbraw/zinc/13/36/18/267133618.db2.gz BGVHZJJROSUDFG-LBPRGKRZSA-N -1 3 261.321 2.421 20 10 CECDHM O=S1(=O)C[C@@H](NCc2ccccc2[O-])c2ccccc21 ZINC000370355872 267310937 /nfs/dbraw/zinc/31/09/37/267310937.db2.gz ULJZYEJVJCUDOQ-CYBMUJFWSA-N -1 3 289.356 2.010 20 10 CECDHM CO[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])[C@@H](C)C1 ZINC000281842523 293748865 /nfs/dbraw/zinc/74/88/65/293748865.db2.gz SYRPJWNFRKFOSR-WDEREUQCSA-N -1 3 279.336 2.046 20 10 CECDHM Cc1ccc(C(=O)N2CCSC[C@H](C)C2)c([O-])c1O ZINC000191569261 301513255 /nfs/dbraw/zinc/51/32/55/301513255.db2.gz QVMKCMDURQPQRH-SECBINFHSA-N -1 3 281.377 2.231 20 10 CECDHM CCCOc1ccc(CN(C)[C@H](C)C(=O)OC)c([O-])c1 ZINC000280748202 328236530 /nfs/dbraw/zinc/23/65/30/328236530.db2.gz DPOCVMUBOCGEFX-LLVKDONJSA-N -1 3 281.352 2.174 20 10 CECDHM CCn1ncc(CNCc2c([O-])cc(C)cc2Cl)n1 ZINC000527736060 330278801 /nfs/dbraw/zinc/27/88/01/330278801.db2.gz QFCYCBQTXRVMIK-UHFFFAOYSA-N -1 3 280.759 2.255 20 10 CECDHM O=C(/C=C/c1cnccn1)N1CCCc2cccc([O-])c21 ZINC000492337984 332393175 /nfs/dbraw/zinc/39/31/75/332393175.db2.gz BAIWWCXOLXXMDS-VOTSOKGWSA-N -1 3 281.315 2.175 20 10 CECDHM CC[C@H](NCC(F)(F)CO)c1ccc(C)cc1[O-] ZINC000280128254 522570519 /nfs/dbraw/zinc/57/05/19/522570519.db2.gz OSPUVZKGLDUSOF-NSHDSACASA-N -1 3 259.296 2.369 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCO[C@H]3CCC[C@@H]32)c1[O-] ZINC000043426176 518286794 /nfs/dbraw/zinc/28/67/94/518286794.db2.gz HEHKYMDNPCEWQI-GJZGRUSLSA-N -1 3 293.338 2.487 20 10 CECDHM CC(C)[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000279778169 519827221 /nfs/dbraw/zinc/82/72/21/519827221.db2.gz HDFMFNKDXKKDHA-GXFFZTMASA-N -1 3 279.336 2.031 20 10 CECDHM CC(C)c1nnc(CN(C)Cc2ccccc2[O-])[nH]1 ZINC000293052487 519861917 /nfs/dbraw/zinc/86/19/17/519861917.db2.gz FWWFCZKNVUKWLS-UHFFFAOYSA-N -1 3 260.341 2.266 20 10 CECDHM CC[C@@H](NCc1nnc2n1CCC2)c1ccc(C)cc1[O-] ZINC000280274377 522899195 /nfs/dbraw/zinc/89/91/95/522899195.db2.gz YBQXWSZLMSXMTD-CYBMUJFWSA-N -1 3 286.379 2.479 20 10 CECDHM COCC1(O)CN(Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000297492029 522912367 /nfs/dbraw/zinc/91/23/67/522912367.db2.gz KOBBBNBQMOAEFY-UHFFFAOYSA-N -1 3 299.370 2.252 20 10 CECDHM C[C@@H]1OCC[C@]12CN(Cc1c([O-])cccc1Cl)CCO2 ZINC000279745845 525604046 /nfs/dbraw/zinc/60/40/46/525604046.db2.gz XZBIFOWSHVFIRA-NHYWBVRUSA-N -1 3 297.782 2.425 20 10 CECDHM Cc1csc(CNC(=O)c2cc([O-])cs2)n1 ZINC000731866614 574604873 /nfs/dbraw/zinc/60/48/73/574604873.db2.gz UIRJSISODOTRSI-UHFFFAOYSA-N -1 3 254.336 2.149 20 10 CECDHM O=C(c1cc([O-])cs1)N(CCO)CCc1ccccc1 ZINC000733002079 574638798 /nfs/dbraw/zinc/63/87/98/574638798.db2.gz DXPBOGNMQYGFIO-UHFFFAOYSA-N -1 3 291.372 2.131 20 10 CECDHM Cc1cc([O-])c(C[N@@H+]2CC[C@H](CNC(=O)[O-])C2)cc1C ZINC000740089185 574941565 /nfs/dbraw/zinc/94/15/65/574941565.db2.gz OJGICRANBOGVIO-GFCCVEGCSA-N -1 3 278.352 2.099 20 10 CECDHM Cc1cc([O-])c(C[N@H+]2CC[C@H](CNC(=O)[O-])C2)cc1C ZINC000740089185 574941567 /nfs/dbraw/zinc/94/15/67/574941567.db2.gz OJGICRANBOGVIO-GFCCVEGCSA-N -1 3 278.352 2.099 20 10 CECDHM CC1(C)[C@H](NC(=O)c2cc([O-])cs2)[C@@H]2CCCO[C@@H]21 ZINC000743658693 575108425 /nfs/dbraw/zinc/10/84/25/575108425.db2.gz BRXAWESJQPXNJG-WCQGTBRESA-N -1 3 281.377 2.387 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000749296942 575212744 /nfs/dbraw/zinc/21/27/44/575212744.db2.gz IJEIFDSNLQICEB-QWRGUYRKSA-N -1 3 281.377 2.342 20 10 CECDHM COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000820870836 598151557 /nfs/dbraw/zinc/15/15/57/598151557.db2.gz BQQQVIKUJYRXAJ-LLVKDONJSA-N -1 3 279.336 2.088 20 10 CECDHM COc1cccc([O-])c1C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000820870836 598151558 /nfs/dbraw/zinc/15/15/58/598151558.db2.gz BQQQVIKUJYRXAJ-LLVKDONJSA-N -1 3 279.336 2.088 20 10 CECDHM O=C([O-])CC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000821524606 601380877 /nfs/dbraw/zinc/38/08/77/601380877.db2.gz DRJGIKXAFNJYMA-UHFFFAOYSA-N -1 3 275.304 2.462 20 10 CECDHM O=C([O-])CC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC000821524606 601380880 /nfs/dbraw/zinc/38/08/80/601380880.db2.gz DRJGIKXAFNJYMA-UHFFFAOYSA-N -1 3 275.304 2.462 20 10 CECDHM C[N@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1[O-] ZINC000833694390 604582260 /nfs/dbraw/zinc/58/22/60/604582260.db2.gz JDPCEERIXQJHBA-UHFFFAOYSA-N -1 3 260.293 2.051 20 10 CECDHM C[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1[O-] ZINC000833694390 604582261 /nfs/dbraw/zinc/58/22/61/604582261.db2.gz JDPCEERIXQJHBA-UHFFFAOYSA-N -1 3 260.293 2.051 20 10 CECDHM CC(C)C[N@H+](CCC(=O)[O-])Cc1ccccc1[O-] ZINC000833486786 604788760 /nfs/dbraw/zinc/78/87/60/604788760.db2.gz RCEBFEUGHVRESX-UHFFFAOYSA-N -1 3 251.326 2.325 20 10 CECDHM CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccccc1[O-] ZINC000833486786 604788764 /nfs/dbraw/zinc/78/87/64/604788764.db2.gz RCEBFEUGHVRESX-UHFFFAOYSA-N -1 3 251.326 2.325 20 10 CECDHM O=C([O-])[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC000405432029 605479638 /nfs/dbraw/zinc/47/96/38/605479638.db2.gz ZICHHUMECWBDJB-GFCCVEGCSA-N -1 3 261.321 2.079 20 10 CECDHM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCN1C1CC1 ZINC000890759112 622930318 /nfs/dbraw/zinc/93/03/18/622930318.db2.gz COIKVCHZKCHTEJ-ZDUSSCGKSA-N -1 3 294.782 2.289 20 10 CECDHM COc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1F ZINC000188157043 625126147 /nfs/dbraw/zinc/12/61/47/625126147.db2.gz ZFYURPOCDJJBFN-UHFFFAOYSA-N -1 3 291.278 2.176 20 10 CECDHM Cc1ccc(C(=O)NOCc2ccccc2)c([O-])c1O ZINC000177669260 625810183 /nfs/dbraw/zinc/81/01/83/625810183.db2.gz OICALJWMNPSFEA-UHFFFAOYSA-N -1 3 273.288 2.268 20 10 CECDHM CN1CCN(Cc2cc(F)cc(F)c2[O-])C(C)(C)C1 ZINC000894029820 629095970 /nfs/dbraw/zinc/09/59/70/629095970.db2.gz DILKTLUNYHLTBX-UHFFFAOYSA-N -1 3 270.323 2.196 20 10 CECDHM Cc1nc([C@H]2CCN(Cc3cc(F)cc(F)c3[O-])C2)no1 ZINC000896232068 630504277 /nfs/dbraw/zinc/50/42/77/630504277.db2.gz WAYFBVOBXKLWIK-VIFPVBQESA-N -1 3 295.289 2.351 20 10 CECDHM CC(C)(C)N1CC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928706598 631129048 /nfs/dbraw/zinc/12/90/48/631129048.db2.gz RKTICQNMBITIGP-LBPRGKRZSA-N -1 3 280.343 2.020 20 10 CECDHM CCC[C@@H](NCc1cc(Cl)ccc1[O-])C(=O)OC ZINC000897835525 631936689 /nfs/dbraw/zinc/93/66/89/631936689.db2.gz LVYDPUDRYLMIAX-LLVKDONJSA-N -1 3 271.744 2.477 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@@H](O)[C@@H](F)C2)cc1Cl ZINC000898187328 632100794 /nfs/dbraw/zinc/10/07/94/632100794.db2.gz FFVNTXIVCLNDAZ-NWDGAFQWSA-N -1 3 273.735 2.259 20 10 CECDHM [O-]c1ccc2ccncc2c1CN1CCn2cncc2C1 ZINC000811787066 632444251 /nfs/dbraw/zinc/44/42/51/632444251.db2.gz BONOQKGCINSMPL-UHFFFAOYSA-N -1 3 280.331 2.153 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CCCOCC1 ZINC000816493170 633399906 /nfs/dbraw/zinc/39/99/06/633399906.db2.gz RQVUOXDVGVFABU-UHFFFAOYSA-N -1 3 259.708 2.407 20 10 CECDHM CC(C)C[C@@H](C[NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000818630508 633966318 /nfs/dbraw/zinc/96/63/18/633966318.db2.gz PSPKTRQDLNHCIP-LBPRGKRZSA-N -1 3 251.326 2.229 20 10 CECDHM C[C@H](NCc1cn(C)cn1)c1cc(F)cc(F)c1[O-] ZINC000903352987 635081611 /nfs/dbraw/zinc/08/16/11/635081611.db2.gz YAXOTVWAQHWHGS-QMMMGPOBSA-N -1 3 267.279 2.255 20 10 CECDHM Cc1nc2n(n1)CCN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC000824819898 635505135 /nfs/dbraw/zinc/50/51/35/635505135.db2.gz VMIXBLXEKXRYEK-UHFFFAOYSA-N -1 3 292.770 2.270 20 10 CECDHM C[C@H](O)CN(Cc1cc(Cl)ccc1[O-])CC(F)F ZINC000825099049 635567516 /nfs/dbraw/zinc/56/75/16/635567516.db2.gz SGJBVQNCHMOQEB-QMMMGPOBSA-N -1 3 279.714 2.494 20 10 CECDHM CCOC(=O)[C@H](C)NCc1cc(Cl)c(C)cc1[O-] ZINC000825667490 635690602 /nfs/dbraw/zinc/69/06/02/635690602.db2.gz ZBMGJXNNKPOGHV-VIFPVBQESA-N -1 3 271.744 2.395 20 10 CECDHM COC(=O)[C@@H](C)N(C)Cc1cc(Cl)c(C)cc1[O-] ZINC000825745377 635706111 /nfs/dbraw/zinc/70/61/11/635706111.db2.gz ZUKWEIROZXBPON-SECBINFHSA-N -1 3 271.744 2.347 20 10 CECDHM CN(Cc1c([O-])ccc(Cl)c1F)C[C@H]1COCCO1 ZINC000827140092 636232954 /nfs/dbraw/zinc/23/29/54/636232954.db2.gz HRGZVZMZLOMLEG-VIFPVBQESA-N -1 3 289.734 2.032 20 10 CECDHM [O-]c1c(F)c(F)ccc1CN1CCC[C@H](n2cncn2)C1 ZINC000876693963 650403609 /nfs/dbraw/zinc/40/36/09/650403609.db2.gz LPOBFSMHFMXALC-NSHDSACASA-N -1 3 294.305 2.099 20 10 CECDHM Cc1cc(C)nc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000157116436 639428856 /nfs/dbraw/zinc/42/88/56/639428856.db2.gz RKIYIMQNLDDKTR-UHFFFAOYSA-N -1 3 258.277 2.362 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](O)[C@@H](C)C2)c1[O-] ZINC000166462303 639466022 /nfs/dbraw/zinc/46/60/22/639466022.db2.gz VTBQXRCTSKGYLT-XPTSAGLGSA-N -1 3 297.782 2.451 20 10 CECDHM CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000229118988 639677245 /nfs/dbraw/zinc/67/72/45/639677245.db2.gz HFEURJWHHNUKSG-JTQLQIEISA-N -1 3 287.743 2.349 20 10 CECDHM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000229118988 639677246 /nfs/dbraw/zinc/67/72/46/639677246.db2.gz HFEURJWHHNUKSG-JTQLQIEISA-N -1 3 287.743 2.349 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCSC[C@@H]1C1CCC1 ZINC000841465634 639768726 /nfs/dbraw/zinc/76/87/26/639768726.db2.gz QYEWWTKBHWBSQN-GFCCVEGCSA-N -1 3 293.388 2.456 20 10 CECDHM C[C@@H]1CC2(CN1C(=O)c1cccc(O)c1[O-])CCOCC2 ZINC000844092661 640604654 /nfs/dbraw/zinc/60/46/54/640604654.db2.gz CONIOCJAMHPAHH-LLVKDONJSA-N -1 3 291.347 2.129 20 10 CECDHM CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(F)c(F)c1[O-] ZINC000877145758 650594059 /nfs/dbraw/zinc/59/40/59/650594059.db2.gz BVWUZNQZRTXMMO-DTWKUNHWSA-N -1 3 286.322 2.063 20 10 CECDHM CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(F)c(F)c1[O-] ZINC000877145760 650594071 /nfs/dbraw/zinc/59/40/71/650594071.db2.gz BVWUZNQZRTXMMO-RKDXNWHRSA-N -1 3 286.322 2.063 20 10 CECDHM O=S(=O)(NCc1c([O-])cccc1F)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000921451835 641284412 /nfs/dbraw/zinc/28/44/12/641284412.db2.gz WYHBQZYPYXEIKO-BFVZDQMLSA-N -1 3 299.367 2.139 20 10 CECDHM Cc1ccsc1CNC(=O)c1cccc(O)c1[O-] ZINC000126484328 650693706 /nfs/dbraw/zinc/69/37/06/650693706.db2.gz MRPKXWZEXBOIQM-UHFFFAOYSA-N -1 3 263.318 2.398 20 10 CECDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCCO1 ZINC000848350533 641966572 /nfs/dbraw/zinc/96/65/72/641966572.db2.gz QJLMZNSLYICEBO-AAEUAGOBSA-N -1 3 279.336 2.175 20 10 CECDHM C[C@@H](CC(=O)c1ccco1)NC(=O)c1cccc(O)c1[O-] ZINC000185840557 642038518 /nfs/dbraw/zinc/03/85/18/642038518.db2.gz NEIAHEWCDBUMEU-VIFPVBQESA-N -1 3 289.287 2.082 20 10 CECDHM Cc1cc([O-])c([C@@H]2NC(=O)CN2CC(C)C)cc1Cl ZINC000849183704 642280948 /nfs/dbraw/zinc/28/09/48/642280948.db2.gz VVMVBSSHWVGQKZ-CQSZACIVSA-N -1 3 282.771 2.440 20 10 CECDHM [O-]c1c(CN2CC([C@H]3CCOC3)C2)ccc(F)c1F ZINC000877488247 650746339 /nfs/dbraw/zinc/74/63/39/650746339.db2.gz CYWCDZWZPKKHBK-JTQLQIEISA-N -1 3 269.291 2.139 20 10 CECDHM CC[C@](C)(CNC(=O)NCc1c([O-])cccc1F)OC ZINC000922705254 643215409 /nfs/dbraw/zinc/21/54/09/643215409.db2.gz HGBBQAWYCYZNNE-CQSZACIVSA-N -1 3 284.331 2.146 20 10 CECDHM O=C(NCCC[C@H]1CCOC1)NCc1c([O-])cccc1F ZINC000922769289 643250221 /nfs/dbraw/zinc/25/02/21/643250221.db2.gz VKWKOUXRYVMUCL-NSHDSACASA-N -1 3 296.342 2.147 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CCC3(COC3)C2)c1[O-] ZINC000852683577 643510882 /nfs/dbraw/zinc/51/08/82/643510882.db2.gz KWEAMDPQYQIOHX-UHFFFAOYSA-N -1 3 295.766 2.471 20 10 CECDHM CC(=O)c1cnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC000187103568 643578231 /nfs/dbraw/zinc/57/82/31/643578231.db2.gz HPNUFITZHGFMLL-UHFFFAOYSA-N -1 3 278.289 2.009 20 10 CECDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000923445827 643714405 /nfs/dbraw/zinc/71/44/05/643714405.db2.gz FEUWLRNCKUBVRN-LFNDISMMSA-N -1 3 296.342 2.142 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CC(OC(F)F)C1 ZINC000839146088 644157578 /nfs/dbraw/zinc/15/75/78/644157578.db2.gz ZVFQWTJVPNQNLU-UHFFFAOYSA-N -1 3 263.671 2.469 20 10 CECDHM COC(=O)C(C)(C)N(C)Cc1cc(Cl)ccc1[O-] ZINC000769306939 646240400 /nfs/dbraw/zinc/24/04/00/646240400.db2.gz WNBNHSLWXBXMTP-UHFFFAOYSA-N -1 3 271.744 2.429 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC(c2ncco2)CC1 ZINC000862106983 646340606 /nfs/dbraw/zinc/34/06/06/646340606.db2.gz AWHIXYWGYABHFE-UHFFFAOYSA-N -1 3 288.303 2.106 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000770304366 646378144 /nfs/dbraw/zinc/37/81/44/646378144.db2.gz MLNIWOYNVCCFIS-GJZGRUSLSA-N -1 3 297.782 2.425 20 10 CECDHM Cc1noc(C)c1N(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000770500397 646399480 /nfs/dbraw/zinc/39/94/80/646399480.db2.gz CURLMCFWSNOLNM-UHFFFAOYSA-N -1 3 276.292 2.288 20 10 CECDHM CC1(C)CCC[C@](CO)(NC(=O)c2cccc(O)c2[O-])C1 ZINC000862845307 646581690 /nfs/dbraw/zinc/58/16/90/646581690.db2.gz AQBIVKSQJZMICV-INIZCTEOSA-N -1 3 293.363 2.159 20 10 CECDHM CN(C)c1nccc(CNCc2c([O-])cccc2Cl)n1 ZINC000776496744 647066793 /nfs/dbraw/zinc/06/67/93/647066793.db2.gz LSHYGJYMVQEQPL-UHFFFAOYSA-N -1 3 292.770 2.191 20 10 CECDHM CN(CC1CC1)S(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000776750345 647087837 /nfs/dbraw/zinc/08/78/37/647087837.db2.gz AVVWJUBUCNSASB-UHFFFAOYSA-N -1 3 290.772 2.044 20 10 CECDHM COc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1O ZINC000781022282 647491753 /nfs/dbraw/zinc/49/17/53/647491753.db2.gz XNYWPBKRWYTNBL-UHFFFAOYSA-N -1 3 289.287 2.373 20 10 CECDHM CCOc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000790528230 648427322 /nfs/dbraw/zinc/42/73/22/648427322.db2.gz OIUFLKXUPGUQGI-UHFFFAOYSA-N -1 3 287.315 2.427 20 10 CECDHM CCn1ccc(CN(C)C(=O)c2cccc(O)c2[O-])c1 ZINC000790989856 648469512 /nfs/dbraw/zinc/46/95/12/648469512.db2.gz CXWCGAMGDCQRII-UHFFFAOYSA-N -1 3 274.320 2.191 20 10 CECDHM CS(=O)(=O)N(c1ccc(N)cc1)c1cc([O-])cc(F)c1 ZINC001206851044 802526463 /nfs/dbraw/zinc/52/64/63/802526463.db2.gz IKJSJTZGRKRFJV-UHFFFAOYSA-N -1 3 296.323 2.211 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1C[C@H](F)C[C@@H](CO)C1 ZINC001140461562 802935278 /nfs/dbraw/zinc/93/52/78/802935278.db2.gz MEPVQDMQXFRZKM-BXKDBHETSA-N -1 3 273.735 2.198 20 10 CECDHM CCOc1ccc(NC(=O)c2cccc(O)c2[O-])nc1C ZINC001167767487 803914051 /nfs/dbraw/zinc/91/40/51/803914051.db2.gz CARQFPCSRMJGGH-UHFFFAOYSA-N -1 3 288.303 2.452 20 10 CECDHM CCCNC(=O)[C@@H]1CCCCN1Cc1c([O-])cccc1F ZINC001137837622 809780968 /nfs/dbraw/zinc/78/09/68/809780968.db2.gz NYPSEDPXZAKZPZ-AWEZNQCLSA-N -1 3 294.370 2.412 20 10 CECDHM CC1(C)CC[C@@H](CNC(=O)c2cccc(O)c2[O-])OC1 ZINC000711237213 810051543 /nfs/dbraw/zinc/05/15/43/810051543.db2.gz KHKJKSOVARMYCN-JTQLQIEISA-N -1 3 279.336 2.033 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCCOC[C@@H]2C)c1[O-] ZINC000398896590 813687486 /nfs/dbraw/zinc/68/74/86/813687486.db2.gz BVDCVYWSPIQYKN-JTQLQIEISA-N -1 3 281.327 2.345 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001148212577 814536230 /nfs/dbraw/zinc/53/62/30/814536230.db2.gz FAFKNIURDJJIFJ-ZYHUDNBSSA-N -1 3 289.331 2.072 20 10 CECDHM Cc1cccc2ncc(NC(=O)c3cc(O)c([O-])c(O)c3)n21 ZINC001148582827 814591847 /nfs/dbraw/zinc/59/18/47/814591847.db2.gz MTOKFONELHFNRG-UHFFFAOYSA-N -1 3 299.286 2.012 20 10 CECDHM Cn1nccc(NCc2cc3ccccc3cc2[O-])c1=O ZINC001171408015 814915606 /nfs/dbraw/zinc/91/56/06/814915606.db2.gz ZNHHOXJBWYSSFR-UHFFFAOYSA-N -1 3 281.315 2.251 20 10 CECDHM O=C(N[C@@H]1CCCN(Cc2c([O-])cccc2F)C1)C1CC1 ZINC001137841503 815695874 /nfs/dbraw/zinc/69/58/74/815695874.db2.gz HKWKCUHCDNDYLR-GFCCVEGCSA-N -1 3 292.354 2.022 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CCC[C@@]2(CCO2)C1 ZINC001139686262 816083669 /nfs/dbraw/zinc/08/36/69/816083669.db2.gz ROSAREMGXKMLKW-CQSZACIVSA-N -1 3 269.291 2.425 20 10 CECDHM Cc1nc2c(o1)CCN(Cc1cc(F)ccc1[O-])C2 ZINC001140056042 816179314 /nfs/dbraw/zinc/17/93/14/816179314.db2.gz FOABMPSHJYCCGL-UHFFFAOYSA-N -1 3 262.284 2.386 20 10 CECDHM CCOC(=O)C1CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140466959 816262463 /nfs/dbraw/zinc/26/24/63/816262463.db2.gz NPYSWTBRXTZIPX-UHFFFAOYSA-N -1 3 269.728 2.041 20 10 CECDHM C[C@H]1CC[C@@H](CO)CN1Cc1c([O-])cc(F)cc1F ZINC001140582066 816291211 /nfs/dbraw/zinc/29/12/11/816291211.db2.gz BDSCGPRTSVUOQL-VHSXEESVSA-N -1 3 271.307 2.263 20 10 CECDHM COC(=O)CCN(Cc1c([O-])cc(F)cc1F)C1CC1 ZINC001140585357 816294422 /nfs/dbraw/zinc/29/44/22/816294422.db2.gz GPJJZBMSSSWPKX-UHFFFAOYSA-N -1 3 285.290 2.198 20 10 CECDHM CC[C@H](N[C@@H](C)c1nncn1C)c1ccccc1[O-] ZINC000037016934 361884651 /nfs/dbraw/zinc/88/46/51/361884651.db2.gz QNAIQPLCZIJGER-JQWIXIFHSA-N -1 3 260.341 2.323 20 10 CECDHM C[C@H](NCc1cccc(Cl)c1[O-])C(=O)NC(C)(C)C ZINC000135761279 366474034 /nfs/dbraw/zinc/47/40/34/366474034.db2.gz IMGHVVWGPISACA-VIFPVBQESA-N -1 3 284.787 2.438 20 10 CECDHM CC[C@@H](C)NC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000171937411 367643633 /nfs/dbraw/zinc/64/36/33/367643633.db2.gz YDLASLMHDCAUCL-NEPJUHHUSA-N -1 3 264.369 2.127 20 10 CECDHM COC(=O)[C@@H]1CCCCN1Cc1cc(F)ccc1[O-] ZINC000179894038 368357340 /nfs/dbraw/zinc/35/73/40/368357340.db2.gz MHHAVFGDDMERFO-LBPRGKRZSA-N -1 3 267.300 2.059 20 10 CECDHM CCc1cnc(CN(C)C(=O)c2cccc(O)c2[O-])s1 ZINC000193120485 369896076 /nfs/dbraw/zinc/89/60/76/369896076.db2.gz CJHXPNLRSUHMTG-UHFFFAOYSA-N -1 3 292.360 2.389 20 10 CECDHM CO[C@]1(C)C[C@H](N(C)C(=O)c2cccc(O)c2[O-])C1(C)C ZINC000193131144 369897063 /nfs/dbraw/zinc/89/70/63/369897063.db2.gz MNALCRXRBAJENH-BLLLJJGKSA-N -1 3 293.363 2.373 20 10 CECDHM CCN(CCOC)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000271062136 373099313 /nfs/dbraw/zinc/09/93/13/373099313.db2.gz YABDQQVLNWPWCR-UHFFFAOYSA-N -1 3 288.731 2.422 20 10 CECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(C)no2)c1 ZINC000273595918 373766459 /nfs/dbraw/zinc/76/64/59/373766459.db2.gz QNUDNXRGQVQUCH-SNVBAGLBSA-N -1 3 290.319 2.326 20 10 CECDHM Cc1ccc([C@@H](C)N[C@@H](C)c2ncn(C)n2)c([O-])c1 ZINC000275745776 374220793 /nfs/dbraw/zinc/22/07/93/374220793.db2.gz REHAIFVPOQNDRA-MNOVXSKESA-N -1 3 260.341 2.241 20 10 CECDHM CCC(=O)N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000373224177 374299448 /nfs/dbraw/zinc/29/94/48/374299448.db2.gz PXIVSABFMCCCLR-UHFFFAOYSA-N -1 3 296.798 2.490 20 10 CECDHM C[C@H](NCc1cc2c(cc1[O-])OCO2)C(F)(F)F ZINC000288349791 376375962 /nfs/dbraw/zinc/37/59/62/376375962.db2.gz BXJLBIOFZPAYRF-LURJTMIESA-N -1 3 263.215 2.161 20 10 CECDHM O=C(N[C@@H](C1CC1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000288629913 376380474 /nfs/dbraw/zinc/38/04/74/376380474.db2.gz QZTATYYOZBMKFK-JTQLQIEISA-N -1 3 275.226 2.169 20 10 CECDHM Cc1ccc(C(=O)N2CCCO[C@@H](C(C)C)C2)c([O-])c1O ZINC000294494692 377990054 /nfs/dbraw/zinc/99/00/54/377990054.db2.gz QWHUDHHHWVOPES-CYBMUJFWSA-N -1 3 293.363 2.293 20 10 CECDHM O=C(NC[C@H](CO)C1CCCCC1)c1cccc(O)c1[O-] ZINC000294552004 377996806 /nfs/dbraw/zinc/99/68/06/377996806.db2.gz MHEVZLOSCKRETN-GFCCVEGCSA-N -1 3 293.363 2.016 20 10 CECDHM COc1cc(Cl)cc(CN2CCO[C@H](C)C2)c1[O-] ZINC000184676723 262026135 /nfs/dbraw/zinc/02/61/35/262026135.db2.gz BXVAPMYPBKIWHZ-SECBINFHSA-N -1 3 271.744 2.275 20 10 CECDHM COC(=O)[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000122268504 394811210 /nfs/dbraw/zinc/81/12/10/394811210.db2.gz BLBFACVYZJUFHU-JTQLQIEISA-N -1 3 283.755 2.431 20 10 CECDHM CCCOc1ccc(CN(C)CC(=O)NC(C)C)c([O-])c1 ZINC000133389885 394950202 /nfs/dbraw/zinc/95/02/02/394950202.db2.gz LAIWUOUIYBYFMM-UHFFFAOYSA-N -1 3 294.395 2.137 20 10 CECDHM Cc1nnc2n1CCN(Cc1cc(Cl)cc(C)c1[O-])C2 ZINC000375853298 395101463 /nfs/dbraw/zinc/10/14/63/395101463.db2.gz WEHYLNANNSRVDR-UHFFFAOYSA-N -1 3 292.770 2.270 20 10 CECDHM C[C@H]1CCCCN1C(=O)CN(C)Cc1ccccc1[O-] ZINC000174854036 395128733 /nfs/dbraw/zinc/12/87/33/395128733.db2.gz KLJMFVKLFPRRSM-ZDUSSCGKSA-N -1 3 276.380 2.225 20 10 CECDHM CCOc1cccc(C[NH2+][C@@H](CC(C)C)C(=O)[O-])c1[O-] ZINC000043432017 175043593 /nfs/dbraw/zinc/04/35/93/175043593.db2.gz NIJNPCKHIVEKMU-LBPRGKRZSA-N -1 3 281.352 2.380 20 10 CECDHM COc1cc(Cl)cc(CN2CCN(C3CC3)CC2)c1[O-] ZINC000184678104 262026168 /nfs/dbraw/zinc/02/61/68/262026168.db2.gz WZEIDTQVOWZPLM-UHFFFAOYSA-N -1 3 296.798 2.334 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCN([C@H]2CCSC2)CC1 ZINC000368590329 262112117 /nfs/dbraw/zinc/11/21/17/262112117.db2.gz KOTLCYFEGHXFTQ-AWEZNQCLSA-N -1 3 296.411 2.154 20 10 CECDHM CC[C@@H](C)[C@@H](CNC(=O)c1ccc(C)c(O)c1[O-])OC ZINC000296269198 263188888 /nfs/dbraw/zinc/18/88/88/263188888.db2.gz WWFXSFDOYXWQQS-BXKDBHETSA-N -1 3 281.352 2.197 20 10 CECDHM Cc1ccc(C(=O)N2CCCO[C@H]3CCC[C@@H]32)c([O-])c1O ZINC000370367080 267312656 /nfs/dbraw/zinc/31/26/56/267312656.db2.gz SMGUPWYCTNZNAZ-STQMWFEESA-N -1 3 291.347 2.190 20 10 CECDHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C1(C)C ZINC000185716733 327842906 /nfs/dbraw/zinc/84/29/06/327842906.db2.gz GUSSLHRGMOMTSE-OLZOCXBDSA-N -1 3 293.363 2.373 20 10 CECDHM COc1cc(Cl)cc(CN[C@@H](C)c2ncnn2C)c1[O-] ZINC000276470759 328218630 /nfs/dbraw/zinc/21/86/30/328218630.db2.gz MSNSRGKJZSZAQM-QMMMGPOBSA-N -1 3 296.758 2.034 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CNC[C@H](O)C(F)(F)F ZINC000294294104 328548425 /nfs/dbraw/zinc/54/84/25/328548425.db2.gz POKKCTLURDYMIV-VIFPVBQESA-N -1 3 287.640 2.198 20 10 CECDHM Cn1nccc1CNCc1cccc(Cl)c1[O-] ZINC000124700564 329573025 /nfs/dbraw/zinc/57/30/25/329573025.db2.gz NSUOTIYZHJIKCH-UHFFFAOYSA-N -1 3 251.717 2.069 20 10 CECDHM CCn1ncc(CN[C@@H](C)c2ccc(C)cc2[O-])n1 ZINC000527924464 330296157 /nfs/dbraw/zinc/29/61/57/330296157.db2.gz PPCXNRGNKAMEFX-NSHDSACASA-N -1 3 260.341 2.163 20 10 CECDHM CCCn1ncnc1CN(C)Cc1ccccc1[O-] ZINC000279091766 519891775 /nfs/dbraw/zinc/89/17/75/519891775.db2.gz NOUNJSMUEJOWMQ-UHFFFAOYSA-N -1 3 260.341 2.026 20 10 CECDHM CCCOc1ccc(CN2CCC[C@](F)(CO)C2)c([O-])c1 ZINC000289816634 520348260 /nfs/dbraw/zinc/34/82/60/520348260.db2.gz NWTOFVALOGCRGU-MRXNPFEDSA-N -1 3 297.370 2.477 20 10 CECDHM CCCc1nnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC000279441217 521565841 /nfs/dbraw/zinc/56/58/41/521565841.db2.gz CWVUOMGQLNYGIX-UHFFFAOYSA-N -1 3 279.321 2.154 20 10 CECDHM CC[C@H](NCc1nncn1C)c1ccc(C)cc1[O-] ZINC000280276091 522673256 /nfs/dbraw/zinc/67/32/56/522673256.db2.gz YDGMHJMEPVKZCV-LBPRGKRZSA-N -1 3 260.341 2.070 20 10 CECDHM CC[C@@]1(CO)CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000275159433 523736591 /nfs/dbraw/zinc/73/65/91/523736591.db2.gz BBASPOHDLARBOW-MRXNPFEDSA-N -1 3 293.363 2.031 20 10 CECDHM C[C@@H](N[C@@H](C)c1cc(F)ccc1[O-])c1ncnn1C ZINC000276605535 525603741 /nfs/dbraw/zinc/60/37/41/525603741.db2.gz KTBUECQUUILUHK-DTWKUNHWSA-N -1 3 264.304 2.072 20 10 CECDHM Cc1ccc(C(=O)NC[C@H]2CCCSC2)c([O-])c1O ZINC000292190423 526181162 /nfs/dbraw/zinc/18/11/62/526181162.db2.gz FYDJNCLSAMLYGT-SNVBAGLBSA-N -1 3 281.377 2.279 20 10 CECDHM O=C([O-])N[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000740596924 574471728 /nfs/dbraw/zinc/47/17/28/574471728.db2.gz RGJDASNFIIHOAD-LBPRGKRZSA-N -1 3 286.331 2.387 20 10 CECDHM O=C([O-])N[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000740596924 574471729 /nfs/dbraw/zinc/47/17/29/574471729.db2.gz RGJDASNFIIHOAD-LBPRGKRZSA-N -1 3 286.331 2.387 20 10 CECDHM O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc([O-])cs1 ZINC000760862345 574518110 /nfs/dbraw/zinc/51/81/10/574518110.db2.gz LJFSQQYOSDLKFR-UHFFFAOYSA-N -1 3 292.316 2.334 20 10 CECDHM CNC(=O)c1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000731865968 574604165 /nfs/dbraw/zinc/60/41/65/574604165.db2.gz CPQJIDWTBYAKOA-UHFFFAOYSA-N -1 3 276.317 2.066 20 10 CECDHM COc1ccc(CNC(=O)c2cc([O-])cs2)c(OC)c1 ZINC000731868835 574604845 /nfs/dbraw/zinc/60/48/45/574604845.db2.gz ZEEPKIFEBPJVDM-UHFFFAOYSA-N -1 3 293.344 2.401 20 10 CECDHM O=C(Nc1nnc(C2CC2)s1)c1cc([O-])cs1 ZINC000731867800 574604965 /nfs/dbraw/zinc/60/49/65/574604965.db2.gz WDSSCCCJECGHSI-UHFFFAOYSA-N -1 3 267.335 2.435 20 10 CECDHM C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cc([O-])cs1 ZINC000731911233 574605584 /nfs/dbraw/zinc/60/55/84/574605584.db2.gz GZZSQKBRZWZCGU-KOLCDFICSA-N -1 3 297.376 2.305 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCn2c3ccccc3nc21 ZINC000732268942 574616310 /nfs/dbraw/zinc/61/63/10/574616310.db2.gz TXIGGZFYBHZTLZ-UHFFFAOYSA-N -1 3 285.328 2.464 20 10 CECDHM O=C(NC[C@@H]1CC1(Cl)Cl)c1cc([O-])cs1 ZINC000732267011 574616343 /nfs/dbraw/zinc/61/63/43/574616343.db2.gz AWSXZJOPJUBUFQ-YFKPBYRVSA-N -1 3 266.149 2.377 20 10 CECDHM O=C(Nc1cccc2c1OCCO2)c1cc([O-])cs1 ZINC000732275566 574617244 /nfs/dbraw/zinc/61/72/44/574617244.db2.gz LGDDVNIYOZAZEG-UHFFFAOYSA-N -1 3 277.301 2.477 20 10 CECDHM O=C(OCc1nccn1C(F)F)c1cc([O-])cs1 ZINC000732352665 574619561 /nfs/dbraw/zinc/61/95/61/574619561.db2.gz AXWSTRSJMOOPKN-UHFFFAOYSA-N -1 3 274.248 2.402 20 10 CECDHM CNC(=O)c1ccc(COC(=O)c2cc([O-])cs2)cc1 ZINC000732354327 574619699 /nfs/dbraw/zinc/61/96/99/574619699.db2.gz JSWDYXJAUZSWFN-UHFFFAOYSA-N -1 3 291.328 2.170 20 10 CECDHM CCCCCNC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732354812 574619738 /nfs/dbraw/zinc/61/97/38/574619738.db2.gz RYIKDSMVJKQHTB-SECBINFHSA-N -1 3 285.365 2.305 20 10 CECDHM O=C(CNC(=O)c1cc([O-])cs1)OC1CCCCC1 ZINC000752817193 575315454 /nfs/dbraw/zinc/31/54/54/575315454.db2.gz SFCRRNQUKCMYLW-UHFFFAOYSA-N -1 3 283.349 2.059 20 10 CECDHM COc1ccc(O)c(CNC(=O)c2cc([O-])cs2)c1 ZINC000734018934 574698436 /nfs/dbraw/zinc/69/84/36/574698436.db2.gz PEZDAQDJQXGKSN-UHFFFAOYSA-N -1 3 279.317 2.098 20 10 CECDHM CCCc1cc(NC(=O)c2cc([O-])cs2)n[nH]1 ZINC000735116622 574744251 /nfs/dbraw/zinc/74/42/51/574744251.db2.gz RFFOQOPZJNWYOG-UHFFFAOYSA-N -1 3 251.311 2.382 20 10 CECDHM CCOc1ccc(C[NH+]2CCC(C(=O)[O-])CC2)c([O-])c1 ZINC000820387006 598119683 /nfs/dbraw/zinc/11/96/83/598119683.db2.gz JFZRMULETZOLCF-UHFFFAOYSA-N -1 3 279.336 2.088 20 10 CECDHM O=C([O-])Nc1ccc(CNCc2ccc3c(c2)CCO3)cn1 ZINC000832841467 603547892 /nfs/dbraw/zinc/54/78/92/603547892.db2.gz BXHCSHHSZWYFCV-UHFFFAOYSA-N -1 3 299.330 2.396 20 10 CECDHM Cc1ccc(C(=O)Nc2cnc(C3CC3)nc2)c([O-])c1O ZINC000179479515 625453420 /nfs/dbraw/zinc/45/34/20/625453420.db2.gz WKIHCQIGHBYQMY-UHFFFAOYSA-N -1 3 285.303 2.326 20 10 CECDHM CCN1CCCN(Cc2c([O-])cc(C)cc2Cl)CC1=O ZINC000840942073 628784923 /nfs/dbraw/zinc/78/49/23/628784923.db2.gz RHSQWDJYRPVSEA-UHFFFAOYSA-N -1 3 296.798 2.408 20 10 CECDHM CCOC(=O)[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000893867255 629021835 /nfs/dbraw/zinc/02/18/35/629021835.db2.gz TWRFHKGCBDTIIE-JTQLQIEISA-N -1 3 299.317 2.446 20 10 CECDHM COC(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893877977 629027227 /nfs/dbraw/zinc/02/72/27/629027227.db2.gz OLYFFZFMSKIUFU-UHFFFAOYSA-N -1 3 285.290 2.055 20 10 CECDHM C[C@@H]1[C@@H](C)N(Cc2cc(F)cc(F)c2[O-])CCN1C ZINC000894488374 629486153 /nfs/dbraw/zinc/48/61/53/629486153.db2.gz XBYUOHUIUPMNBG-NXEZZACHSA-N -1 3 270.323 2.195 20 10 CECDHM C[C@H]1[C@H](C)N(Cc2cc(F)cc(F)c2[O-])CCN1C ZINC000894488380 629486483 /nfs/dbraw/zinc/48/64/83/629486483.db2.gz XBYUOHUIUPMNBG-UWVGGRQHSA-N -1 3 270.323 2.195 20 10 CECDHM CCOC1CC2(C[C@@H]2C(=O)NCc2c([O-])cccc2F)C1 ZINC000928708252 631129245 /nfs/dbraw/zinc/12/92/45/631129245.db2.gz FBELKWKJDRSRCC-YZKWQOGNSA-N -1 3 293.338 2.353 20 10 CECDHM Cc1nonc1CNCc1c([O-])cccc1Cl ZINC000809744752 632138396 /nfs/dbraw/zinc/13/83/96/632138396.db2.gz BGIXYNUZPJAVBO-UHFFFAOYSA-N -1 3 253.689 2.027 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC(c2ccccc2F)C1 ZINC000812745569 632572661 /nfs/dbraw/zinc/57/26/61/632572661.db2.gz BXAVGXCEYGKCJZ-UHFFFAOYSA-N -1 3 287.290 2.477 20 10 CECDHM O=C(NC1(C(F)F)CCCC1)c1cccc(O)c1[O-] ZINC000813886464 632752351 /nfs/dbraw/zinc/75/23/51/632752351.db2.gz FRLLWLCNXMQKMJ-UHFFFAOYSA-N -1 3 271.263 2.406 20 10 CECDHM CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c([O-])c1 ZINC000818631028 633966822 /nfs/dbraw/zinc/96/68/22/633966822.db2.gz AGOMPPBHQCUDRM-XHDPSFHLSA-N -1 3 293.363 2.476 20 10 CECDHM CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c([O-])c1 ZINC000818631028 633966827 /nfs/dbraw/zinc/96/68/27/633966827.db2.gz AGOMPPBHQCUDRM-XHDPSFHLSA-N -1 3 293.363 2.476 20 10 CECDHM CN(Cc1cc(Cl)cc(F)c1[O-])C[C@H]1COCCO1 ZINC000827141559 636233350 /nfs/dbraw/zinc/23/33/50/636233350.db2.gz UKNXCXWXBKELKG-NSHDSACASA-N -1 3 289.734 2.032 20 10 CECDHM COC(=O)N1CCN(Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840911504 639582501 /nfs/dbraw/zinc/58/25/01/639582501.db2.gz DSNCXEDQXUCBRO-UHFFFAOYSA-N -1 3 298.770 2.238 20 10 CECDHM CS[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000229412884 639697640 /nfs/dbraw/zinc/69/76/40/639697640.db2.gz MXWKXWUKBGCNCJ-DTWKUNHWSA-N -1 3 267.350 2.112 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@]2(CC2(F)F)C1 ZINC000846584737 641357082 /nfs/dbraw/zinc/35/70/82/641357082.db2.gz YTPQJWZUVCXSPC-ZDUSSCGKSA-N -1 3 283.274 2.359 20 10 CECDHM Cc1cscc1CNC(=O)c1cccc(O)c1[O-] ZINC000126484801 650695040 /nfs/dbraw/zinc/69/50/40/650695040.db2.gz NFIJMSJPVHVFOC-UHFFFAOYSA-N -1 3 263.318 2.398 20 10 CECDHM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccc(O)c1[O-] ZINC000185869741 642043159 /nfs/dbraw/zinc/04/31/59/642043159.db2.gz YWXFEHUNLXBLSG-JTQLQIEISA-N -1 3 287.315 2.164 20 10 CECDHM C[C@@H]1CSC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922438036 643071762 /nfs/dbraw/zinc/07/17/62/643071762.db2.gz LEQFJWYJKKDTRZ-LDYMZIIASA-N -1 3 284.356 2.082 20 10 CECDHM O=C(NCc1c([O-])cccc1F)N[C@H]1COC2(CCC2)C1 ZINC000923266127 643629204 /nfs/dbraw/zinc/62/92/04/643629204.db2.gz GURCOTSOVOYTSV-SNVBAGLBSA-N -1 3 294.326 2.042 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1C[C@H]2CCCC[C@@H]2C1 ZINC000187170363 643724000 /nfs/dbraw/zinc/72/40/00/643724000.db2.gz WBSQJOXAHZDTFZ-GHMZBOCLSA-N -1 3 261.321 2.360 20 10 CECDHM CSCC1(CCNC(=O)c2cccc(O)c2[O-])CC1 ZINC000855397783 644334023 /nfs/dbraw/zinc/33/40/23/644334023.db2.gz IULHCYFCEXGUTM-UHFFFAOYSA-N -1 3 281.377 2.361 20 10 CECDHM C[C@H](NCc1nccn1C)c1cc(F)cc(F)c1[O-] ZINC000756539717 644661277 /nfs/dbraw/zinc/66/12/77/644661277.db2.gz SIKLBMXVPVUUFF-QMMMGPOBSA-N -1 3 267.279 2.255 20 10 CECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cocn2)c1 ZINC000756830969 644697345 /nfs/dbraw/zinc/69/73/45/644697345.db2.gz JOOWTTUKQFUSTM-SECBINFHSA-N -1 3 276.292 2.018 20 10 CECDHM O=C(NCC[C@H]1CC1(Cl)Cl)c1cccc(O)c1[O-] ZINC000857380608 644899424 /nfs/dbraw/zinc/89/94/24/644899424.db2.gz IAPHEYDWGQGZJX-ZETCQYMHSA-N -1 3 290.146 2.412 20 10 CECDHM CC(C)C(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768184425 646094104 /nfs/dbraw/zinc/09/41/04/646094104.db2.gz HLNCHIBYZGDLEZ-UHFFFAOYSA-N -1 3 296.798 2.346 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCc2c[nH]nc2C1 ZINC000769468925 646273142 /nfs/dbraw/zinc/27/31/42/646273142.db2.gz QMCMIHWRFVXWHV-UHFFFAOYSA-N -1 3 263.728 2.327 20 10 CECDHM CCOC1CN(Cc2c([O-])cccc2Br)C1 ZINC000862388696 646431759 /nfs/dbraw/zinc/43/17/59/646431759.db2.gz HPIVLLMMHAJYEN-UHFFFAOYSA-N -1 3 286.169 2.375 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCOCC3(CC3)C2)c1[O-] ZINC000782533977 647634572 /nfs/dbraw/zinc/63/45/72/647634572.db2.gz ANDGYFBCAPIYBK-UHFFFAOYSA-N -1 3 293.338 2.346 20 10 CECDHM CC(C)C[C@H]1C(=O)NCCN1Cc1c([O-])cccc1Cl ZINC000783727734 647752363 /nfs/dbraw/zinc/75/23/63/647752363.db2.gz FKKSYNLLGIEJCA-ZDUSSCGKSA-N -1 3 296.798 2.392 20 10 CECDHM O=C(NC[C@@H]1COc2ccccc2C1)c1cccc(O)c1[O-] ZINC000790483600 648422109 /nfs/dbraw/zinc/42/21/09/648422109.db2.gz JJOLBJABQQTOEK-LLVKDONJSA-N -1 3 299.326 2.079 20 10 CECDHM [O-]c1ccc(Cl)c(F)c1CNC[C@H](O)C(F)(F)F ZINC000790953854 648463914 /nfs/dbraw/zinc/46/39/14/648463914.db2.gz GTRJRMJCUIJWCT-QMMMGPOBSA-N -1 3 287.640 2.198 20 10 CECDHM COCCN(C(=O)c1cccc(O)c1[O-])[C@H]1CC[C@H](C)C1 ZINC000791772882 648564884 /nfs/dbraw/zinc/56/48/84/648564884.db2.gz FDSPFGCCHJIJBF-RYUDHWBXSA-N -1 3 293.363 2.375 20 10 CECDHM C[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)[C@@H]1CO ZINC000792181175 648620897 /nfs/dbraw/zinc/62/08/97/648620897.db2.gz XPCJLWNDQXWDIH-GZMMTYOYSA-N -1 3 273.735 2.387 20 10 CECDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](C)[S@@]1=O ZINC000792191971 648622262 /nfs/dbraw/zinc/62/22/62/648622262.db2.gz GYAJGRXKHQECDZ-LCKNKQDLSA-N -1 3 287.812 2.387 20 10 CECDHM C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C2(CC2)C1 ZINC001231565757 807174420 /nfs/dbraw/zinc/17/44/20/807174420.db2.gz BIPVNXDYAGWGJC-SNVBAGLBSA-N -1 3 261.321 2.465 20 10 CECDHM C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C2(CC2)C1 ZINC001231565757 807174422 /nfs/dbraw/zinc/17/44/22/807174422.db2.gz BIPVNXDYAGWGJC-SNVBAGLBSA-N -1 3 261.321 2.465 20 10 CECDHM O=C([O-])[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000701548584 809443341 /nfs/dbraw/zinc/44/33/41/809443341.db2.gz JBADHVNPCHHDQZ-IUODEOHRSA-N -1 3 261.321 2.079 20 10 CECDHM O=C([O-])[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000701548584 809443343 /nfs/dbraw/zinc/44/33/43/809443343.db2.gz JBADHVNPCHHDQZ-IUODEOHRSA-N -1 3 261.321 2.079 20 10 CECDHM C[C@@H]1COCCCN1Cc1ccc(F)c(F)c1[O-] ZINC000703518015 809653963 /nfs/dbraw/zinc/65/39/63/809653963.db2.gz OIERIRVEXLUALV-SECBINFHSA-N -1 3 257.280 2.281 20 10 CECDHM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@H](C)N1C ZINC000703518818 809654000 /nfs/dbraw/zinc/65/40/00/809654000.db2.gz SIUARLPXXXWDSE-AOOOYVTPSA-N -1 3 270.323 2.195 20 10 CECDHM C[C@H]1COCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000703558471 809662831 /nfs/dbraw/zinc/66/28/31/809662831.db2.gz YKBUIRYCSDTGDV-SECBINFHSA-N -1 3 257.280 2.139 20 10 CECDHM CN1CCN(Cc2cc(F)cc(F)c2[O-])CC1(C)C ZINC000708402157 809929493 /nfs/dbraw/zinc/92/94/93/809929493.db2.gz VCHAPXBPZOPPAW-UHFFFAOYSA-N -1 3 270.323 2.196 20 10 CECDHM CCC(=O)N[C@@H]1CCCN(Cc2c([O-])cccc2F)C1 ZINC001137841370 815694906 /nfs/dbraw/zinc/69/49/06/815694906.db2.gz BWHBIICDOWGJQF-LLVKDONJSA-N -1 3 280.343 2.022 20 10 CECDHM Cn1cnc2c1CN(Cc1c([O-])cccc1Cl)CC2 ZINC001140342587 816238144 /nfs/dbraw/zinc/23/81/44/816238144.db2.gz PWOYDICGODMZNE-UHFFFAOYSA-N -1 3 277.755 2.337 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC001140461019 816258487 /nfs/dbraw/zinc/25/84/87/816258487.db2.gz BIJKITLOQVBMIP-TXEJJXNPSA-N -1 3 253.729 2.409 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCOCC12CC2 ZINC001140464231 816260756 /nfs/dbraw/zinc/26/07/56/816260756.db2.gz HQGNDVJTIZYKLE-UHFFFAOYSA-N -1 3 253.729 2.410 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001140463085 816261037 /nfs/dbraw/zinc/26/10/37/816261037.db2.gz SBFLZAIFJFICIW-PSOPSSQASA-N -1 3 297.782 2.017 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN(C)CC[C@@H](C)O)c1[O-] ZINC000135822020 366474851 /nfs/dbraw/zinc/47/48/51/366474851.db2.gz XCTPEGDQZXIWKF-SECBINFHSA-N -1 3 285.771 2.451 20 10 CECDHM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cn[nH]c1 ZINC000273531997 299345305 /nfs/dbraw/zinc/34/53/05/299345305.db2.gz WMIBIIURXLJGQY-IUCAKERBSA-N -1 3 276.296 2.435 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC=C(C(F)(F)F)CC1 ZINC000167219084 367337224 /nfs/dbraw/zinc/33/72/24/367337224.db2.gz WTDXTJCIIYDGHR-UHFFFAOYSA-N -1 3 287.237 2.432 20 10 CECDHM C[C@@]1(O)CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000180183263 368371405 /nfs/dbraw/zinc/37/14/05/368371405.db2.gz CXUNEILEADBXNA-GFCCVEGCSA-N -1 3 286.169 2.111 20 10 CECDHM CC(C)N1CC[C@H](N[C@@H](C)c2ccc(F)c(F)c2[O-])C1=O ZINC000187784391 369221082 /nfs/dbraw/zinc/22/10/82/369221082.db2.gz VREDKPUJCTVFGL-CABZTGNLSA-N -1 3 298.333 2.330 20 10 CECDHM CCCc1cc(NC(=O)c2cccc(O)c2[O-])n(C)n1 ZINC000193152413 369899829 /nfs/dbraw/zinc/89/98/29/369899829.db2.gz LGBCQRLNMUKPGQ-UHFFFAOYSA-N -1 3 275.308 2.036 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](OCC2CC2)C1 ZINC000366152614 372992948 /nfs/dbraw/zinc/99/29/48/372992948.db2.gz RQWCYCMGUAUACP-GFCCVEGCSA-N -1 3 291.347 2.129 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000367319921 373146860 /nfs/dbraw/zinc/14/68/60/373146860.db2.gz ZCBFUQUOMUVGTC-OCCSQVGLSA-N -1 3 297.420 2.352 20 10 CECDHM C[C@@H]1C(=O)NCCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271209459 373181859 /nfs/dbraw/zinc/18/18/59/373181859.db2.gz TYICDPMUMNCOOH-CYBMUJFWSA-N -1 3 296.370 2.380 20 10 CECDHM C[C@@H]1CN(Cc2c([O-])ccc3ccccc32)CC(=O)N1C ZINC000281732965 375393938 /nfs/dbraw/zinc/39/39/38/375393938.db2.gz AWEKGQLSJSDDGR-GFCCVEGCSA-N -1 3 284.359 2.208 20 10 CECDHM Cc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n(C)n1 ZINC000284281519 375826501 /nfs/dbraw/zinc/82/65/01/375826501.db2.gz JUWOBELYKLAJHC-SNVBAGLBSA-N -1 3 290.323 2.193 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCC[C@H]2O)c1[O-] ZINC000286496824 375972143 /nfs/dbraw/zinc/97/21/43/375972143.db2.gz MEUMOQVRONXVNG-ZIAGYGMSSA-N -1 3 281.327 2.079 20 10 CECDHM CCCOc1ccc([C@@H]2NC(=O)CN2CC(C)C)c([O-])c1 ZINC000298782331 378829007 /nfs/dbraw/zinc/82/90/07/378829007.db2.gz MGOAIERKQYNOSZ-MRXNPFEDSA-N -1 3 292.379 2.267 20 10 CECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nccs2)c1 ZINC000273379330 292013907 /nfs/dbraw/zinc/01/39/07/292013907.db2.gz HWBKCCHPXSWKFM-SECBINFHSA-N -1 3 292.360 2.486 20 10 CECDHM CCCc1nc(CN(C)Cc2ccccc2[O-])no1 ZINC000109771163 394735550 /nfs/dbraw/zinc/73/55/50/394735550.db2.gz PISMOCAIAQDFGP-UHFFFAOYSA-N -1 3 261.325 2.360 20 10 CECDHM CCCOc1ccc(CN2CCOC[C@@H]2C)c([O-])c1 ZINC000132179848 394926315 /nfs/dbraw/zinc/92/63/15/394926315.db2.gz QVCQWBLMXPLVLK-LBPRGKRZSA-N -1 3 265.353 2.402 20 10 CECDHM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(Cl)ccc1[O-] ZINC000373739231 395065203 /nfs/dbraw/zinc/06/52/03/395065203.db2.gz VOHJHMFYEHLAQR-LQJRIPTKSA-N -1 3 294.782 2.131 20 10 CECDHM CN(C(=O)/C=C/c1cncc([O-])c1)c1ccccc1 ZINC000179380625 395191873 /nfs/dbraw/zinc/19/18/73/395191873.db2.gz HMYMLYDZWLUIRN-BQYQJAHWSA-N -1 3 254.289 2.463 20 10 CECDHM CO[C@@H](CNC(=O)c1ccc(C)c(O)c1[O-])C(C)(C)C ZINC000179531490 395195661 /nfs/dbraw/zinc/19/56/61/395195661.db2.gz SRCJWOPBSNLZRF-NSHDSACASA-N -1 3 281.352 2.197 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CCN(C2CC2)CC1 ZINC000179670715 261808301 /nfs/dbraw/zinc/80/83/01/261808301.db2.gz CKBSMJJAGOLZFD-UHFFFAOYSA-N -1 3 266.772 2.326 20 10 CECDHM C[C@H](NCc1nnc2n1CCCC2)c1cc(F)ccc1[O-] ZINC000183867643 261994207 /nfs/dbraw/zinc/99/42/07/261994207.db2.gz UYVWTTCYQKHDOB-JTQLQIEISA-N -1 3 290.342 2.310 20 10 CECDHM CC(C)N1CC[C@H](N[C@H](C)c2ccc(F)cc2[O-])C1=O ZINC000186047886 262077290 /nfs/dbraw/zinc/07/72/90/262077290.db2.gz XHZZLJZVJIJIFI-MFKMUULPSA-N -1 3 280.343 2.191 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ccncc1 ZINC000186847458 262112952 /nfs/dbraw/zinc/11/29/52/262112952.db2.gz KNTFHGNONHDVGQ-ZDUSSCGKSA-N -1 3 284.315 2.470 20 10 CECDHM C[C@H](CCc1cccn1C)NC(=O)c1cccc(O)c1[O-] ZINC000187138703 262125832 /nfs/dbraw/zinc/12/58/32/262125832.db2.gz FAYSRYQJTHMXKK-LLVKDONJSA-N -1 3 288.347 2.187 20 10 CECDHM CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000280408287 263061139 /nfs/dbraw/zinc/06/11/39/263061139.db2.gz HQDXGCHUOTUOAI-JSGCOSHPSA-N -1 3 293.363 2.421 20 10 CECDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@@H]1[C@H]1CCCO1 ZINC000290610086 263117805 /nfs/dbraw/zinc/11/78/05/263117805.db2.gz NTKWZBJYSXVORL-TZMCWYRMSA-N -1 3 291.347 2.127 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1C[C@H](OC)C[C@H]1C(=O)OC ZINC000368028314 267137582 /nfs/dbraw/zinc/13/75/82/267137582.db2.gz CPLFLXXWTMOKAE-BNOWGMLFSA-N -1 3 293.363 2.106 20 10 CECDHM C[C@@H]1N(C(=O)c2cccc(O)c2[O-])CCC12CCOCC2 ZINC000369293971 267231662 /nfs/dbraw/zinc/23/16/62/267231662.db2.gz NVXCMVQJSBFMBJ-NSHDSACASA-N -1 3 291.347 2.129 20 10 CECDHM Cc1cc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])no1 ZINC000373744462 267707207 /nfs/dbraw/zinc/70/72/07/267707207.db2.gz DCWUKVQUEGFWBY-LBPRGKRZSA-N -1 3 288.303 2.372 20 10 CECDHM CCCCN(Cc1ncnn1C)Cc1ccccc1[O-] ZINC000282518193 276234200 /nfs/dbraw/zinc/23/42/00/276234200.db2.gz SWCCQYMKIPAHFO-UHFFFAOYSA-N -1 3 274.368 2.323 20 10 CECDHM COC[C@H](CO)N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000280840393 293113326 /nfs/dbraw/zinc/11/33/26/293113326.db2.gz AMUACHAAKABINP-SFYZADRCSA-N -1 3 294.178 2.357 20 10 CECDHM CC1(C)CN(Cc2c([O-])cccc2Cl)C[C@H]1O ZINC000280596140 520472230 /nfs/dbraw/zinc/47/22/30/520472230.db2.gz XVTHXNQSHMNYDO-GFCCVEGCSA-N -1 3 255.745 2.248 20 10 CECDHM CC(C)N(C)S(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000085204667 519631453 /nfs/dbraw/zinc/63/14/53/519631453.db2.gz PIZKAYPYRYBHHI-UHFFFAOYSA-N -1 3 278.761 2.043 20 10 CECDHM COCCO[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000276085360 524033009 /nfs/dbraw/zinc/03/30/09/524033009.db2.gz XJZVMUMVPOMCMQ-LLVKDONJSA-N -1 3 285.771 2.283 20 10 CECDHM Cc1cc(Br)cc(CN2CCO[C@@H]3C[C@@H]32)c1[O-] ZINC000366536957 526157144 /nfs/dbraw/zinc/15/71/44/526157144.db2.gz ZRRMYKNGDBAMGV-NWDGAFQWSA-N -1 3 298.180 2.436 20 10 CECDHM Cc1ccc(C(=O)N[C@@H](C)C(F)(F)F)c([O-])c1O ZINC000291870520 526193948 /nfs/dbraw/zinc/19/39/48/526193948.db2.gz WPQYBSGXCINGHZ-LURJTMIESA-N -1 3 263.215 2.087 20 10 CECDHM CS(=O)(=O)CCN(Cc1ccccc1[O-])C1CCCC1 ZINC000731846166 574603818 /nfs/dbraw/zinc/60/38/18/574603818.db2.gz WIFSCSHFFOMOHC-UHFFFAOYSA-N -1 3 297.420 2.181 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC(n2ccnc2)CC1 ZINC000731872826 574604629 /nfs/dbraw/zinc/60/46/29/574604629.db2.gz SALLKMMQUYDBKJ-UHFFFAOYSA-N -1 3 277.349 2.128 20 10 CECDHM CC[C@H]1CCCCN1C(=O)COC(=O)c1cc([O-])cs1 ZINC000731910479 574605704 /nfs/dbraw/zinc/60/57/04/574605704.db2.gz RVHYRIMOMOAMEP-JTQLQIEISA-N -1 3 297.376 2.402 20 10 CECDHM Cc1ccc(CCNC(=O)c2cc([O-])cs2)o1 ZINC000732271498 574616888 /nfs/dbraw/zinc/61/68/88/574616888.db2.gz ZJUBEXDHNHGYDT-UHFFFAOYSA-N -1 3 251.307 2.328 20 10 CECDHM CC[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@@H](C)O1 ZINC000732301704 574617724 /nfs/dbraw/zinc/61/77/24/574617724.db2.gz GTDGNVRAKDBQDW-PSASIEDQSA-N -1 3 255.339 2.093 20 10 CECDHM CC[N@H+](CC(=O)[O-])Cc1cc(C(C)(C)C)cc(O)c1[O-] ZINC000737074271 574807459 /nfs/dbraw/zinc/80/74/59/574807459.db2.gz DPAFXMKIPGANNY-UHFFFAOYSA-N -1 3 281.352 2.302 20 10 CECDHM CC[N@@H+](CC(=O)[O-])Cc1cc(C(C)(C)C)cc(O)c1[O-] ZINC000737074271 574807461 /nfs/dbraw/zinc/80/74/61/574807461.db2.gz DPAFXMKIPGANNY-UHFFFAOYSA-N -1 3 281.352 2.302 20 10 CECDHM CC(C)C[C@H](CNC(=O)[O-])[NH2+]Cc1ccccc1[O-] ZINC000738811834 574880314 /nfs/dbraw/zinc/88/03/14/574880314.db2.gz OFZMTORSXAGBDH-GFCCVEGCSA-N -1 3 266.341 2.164 20 10 CECDHM CC(C)Cn1ccnc1CNC(=O)c1cc([O-])cs1 ZINC000743560483 575106381 /nfs/dbraw/zinc/10/63/81/575106381.db2.gz BGGDUEVSVYZDII-UHFFFAOYSA-N -1 3 279.365 2.236 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)Cc2cc[nH]n2)c1[O-] ZINC000750819765 575276147 /nfs/dbraw/zinc/27/61/47/575276147.db2.gz HFTWDDXROFVXFG-UHFFFAOYSA-N -1 3 277.299 2.089 20 10 CECDHM Cc1ccc(C(=O)Nc2nnc(C3CC3)s2)c([O-])c1O ZINC000751534233 575291546 /nfs/dbraw/zinc/29/15/46/575291546.db2.gz VWTKIMYRSAMPBL-UHFFFAOYSA-N -1 3 291.332 2.387 20 10 CECDHM O=C(NC[C@H]1CCCCS1)c1cc([O-])cs1 ZINC000753476396 575327181 /nfs/dbraw/zinc/32/71/81/575327181.db2.gz LHGNTBCVSGSSKO-SECBINFHSA-N -1 3 257.380 2.469 20 10 CECDHM C[C@@H]1C[C@H](CCNC(=O)c2cc([O-])cs2)CCO1 ZINC000753507915 575328308 /nfs/dbraw/zinc/32/83/08/575328308.db2.gz QKOYZSWSSLWGAU-NXEZZACHSA-N -1 3 269.366 2.389 20 10 CECDHM COc1cccc(CNc2cccc(-c3nnn[n-]3)c2)c1O ZINC000393399164 608867622 /nfs/dbraw/zinc/86/76/22/608867622.db2.gz WMWNVADCNZOONE-UHFFFAOYSA-N -1 3 297.318 2.193 20 10 CECDHM COc1cccc(CNc2cccc(-c3nn[n-]n3)c2)c1O ZINC000393399164 608867624 /nfs/dbraw/zinc/86/76/24/608867624.db2.gz WMWNVADCNZOONE-UHFFFAOYSA-N -1 3 297.318 2.193 20 10 CECDHM O=c1cc(NCCCSc2nccs2)nc[n-]1 ZINC000892515611 625850534 /nfs/dbraw/zinc/85/05/34/625850534.db2.gz UNELPXXCWDJMFH-UHFFFAOYSA-N -1 3 268.367 2.233 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN(CCO)Cc1cccnc1 ZINC000894000731 629081698 /nfs/dbraw/zinc/08/16/98/629081698.db2.gz ABXSLKBKHDXGKR-UHFFFAOYSA-N -1 3 294.301 2.060 20 10 CECDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1O ZINC000794901061 629352007 /nfs/dbraw/zinc/35/20/07/629352007.db2.gz AVZFETCEEOBUIN-UHFFFAOYSA-N -1 3 275.260 2.064 20 10 CECDHM C[C@@H]1[C@H](C)N(Cc2cc(F)cc(F)c2[O-])CCN1C ZINC000894488390 629486173 /nfs/dbraw/zinc/48/61/73/629486173.db2.gz XBYUOHUIUPMNBG-ZJUUUORDSA-N -1 3 270.323 2.195 20 10 CECDHM CCOC(=O)[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000896958706 630845238 /nfs/dbraw/zinc/84/52/38/630845238.db2.gz MWRQJWUFSPKOKI-SNVBAGLBSA-N -1 3 285.290 2.055 20 10 CECDHM CCCc1cc(C(=O)NCc2c([O-])cccc2F)no1 ZINC000928705368 631127724 /nfs/dbraw/zinc/12/77/24/631127724.db2.gz HSGVLOQLDBFQPC-UHFFFAOYSA-N -1 3 278.283 2.402 20 10 CECDHM CCCCO[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928712638 631131282 /nfs/dbraw/zinc/13/12/82/631131282.db2.gz UYQUCFGUMGMVAK-SNVBAGLBSA-N -1 3 269.316 2.353 20 10 CECDHM O=C(NCc1c([O-])cccc1F)c1cc(C2CC2)n[nH]1 ZINC000928712227 631131385 /nfs/dbraw/zinc/13/13/85/631131385.db2.gz OYGTVBRGJSISKG-UHFFFAOYSA-N -1 3 275.283 2.062 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1C(F)F ZINC000800614325 631137338 /nfs/dbraw/zinc/13/73/38/631137338.db2.gz QZLORHNNHXYOBS-VIFPVBQESA-N -1 3 271.263 2.358 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCOCC12CC2 ZINC000802658849 631441612 /nfs/dbraw/zinc/44/16/12/631441612.db2.gz RXQCNGFGEIBNKH-UHFFFAOYSA-N -1 3 253.729 2.410 20 10 CECDHM CO[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816513286 633405052 /nfs/dbraw/zinc/40/50/52/633405052.db2.gz LWCATZPRPJUNRX-SECBINFHSA-N -1 3 259.708 2.405 20 10 CECDHM COC(=O)C1(C)CN(Cc2c([O-])cc(C)cc2Cl)C1 ZINC000822530063 634937707 /nfs/dbraw/zinc/93/77/07/634937707.db2.gz PCPGSTCNAXWWFO-UHFFFAOYSA-N -1 3 283.755 2.349 20 10 CECDHM Cc1cc([O-])c(CN2CCN(C(C)C)C(=O)C2)cc1Cl ZINC000825475235 635644718 /nfs/dbraw/zinc/64/47/18/635644718.db2.gz MTXFXYCUCUFTAZ-UHFFFAOYSA-N -1 3 296.798 2.407 20 10 CECDHM Cc1nonc1CNCc1cc(Cl)c(C)cc1[O-] ZINC000825922709 635732790 /nfs/dbraw/zinc/73/27/90/635732790.db2.gz VSVQECZEVLSWKE-UHFFFAOYSA-N -1 3 267.716 2.335 20 10 CECDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000827292330 636282783 /nfs/dbraw/zinc/28/27/83/636282783.db2.gz PZBFGGHSKRFCRE-ISVAXAHUSA-N -1 3 271.719 2.141 20 10 CECDHM Cc1cc([O-])c(CN(C)CCNC(=O)N(C)C)c(Cl)c1 ZINC000840936244 639591027 /nfs/dbraw/zinc/59/10/27/639591027.db2.gz HLBXJBZISAXCDY-UHFFFAOYSA-N -1 3 299.802 2.057 20 10 CECDHM COC(=O)[C@H](CC1CC1)NCc1cc(Cl)ccc1[O-] ZINC000840956674 639600582 /nfs/dbraw/zinc/60/05/82/639600582.db2.gz BMIQHICYDMXCGU-LBPRGKRZSA-N -1 3 283.755 2.477 20 10 CECDHM C[C@@H](NCc1cnn(C)n1)c1ccc(Cl)cc1[O-] ZINC000841758346 639860395 /nfs/dbraw/zinc/86/03/95/639860395.db2.gz SKAJOBSQWIUYPZ-MRVPVSSYSA-N -1 3 266.732 2.025 20 10 CECDHM Cc1nc(NC(=O)c2cccc(O)c2[O-])sc1C ZINC000126297336 650536418 /nfs/dbraw/zinc/53/64/18/650536418.db2.gz BWUDIXKJFKXBJW-UHFFFAOYSA-N -1 3 264.306 2.423 20 10 CECDHM CSCC[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000919492307 641049785 /nfs/dbraw/zinc/04/97/85/641049785.db2.gz DCYAROHRINQBSG-SECBINFHSA-N -1 3 286.372 2.472 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@]2(CC2(F)F)C1 ZINC000846584736 641357544 /nfs/dbraw/zinc/35/75/44/641357544.db2.gz YTPQJWZUVCXSPC-CYBMUJFWSA-N -1 3 283.274 2.359 20 10 CECDHM CC(C)(C)n1nnc(CNCc2cc(Cl)ccc2[O-])n1 ZINC000848564047 642056117 /nfs/dbraw/zinc/05/61/17/642056117.db2.gz AKWRZVNKTGKRAF-UHFFFAOYSA-N -1 3 295.774 2.077 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NOC1CCCC1 ZINC000921806098 642656693 /nfs/dbraw/zinc/65/66/93/642656693.db2.gz CRKJMZAUCFUPSH-UHFFFAOYSA-N -1 3 268.288 2.205 20 10 CECDHM C[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1ccc(F)cc1[O-] ZINC000850499712 642732772 /nfs/dbraw/zinc/73/27/72/642732772.db2.gz VUHAXVKXIJVWJF-VDDIYKPWSA-N -1 3 276.315 2.479 20 10 CECDHM C[C@H](F)CCNC(=O)NCc1c([O-])cccc1F ZINC000922618128 643164521 /nfs/dbraw/zinc/16/45/21/643164521.db2.gz GAZXURMHJDLRAR-QMMMGPOBSA-N -1 3 258.268 2.079 20 10 CECDHM C[C@H]1SCC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000923047115 643531231 /nfs/dbraw/zinc/53/12/31/643531231.db2.gz VHAYBNMOMCLXGF-KCJUWKMLSA-N -1 3 284.356 2.225 20 10 CECDHM O=C(NCC[C@H]1CCCOC1)NCc1c([O-])cccc1F ZINC000923388644 643693881 /nfs/dbraw/zinc/69/38/81/643693881.db2.gz CBXQFEFEMXRQRS-LLVKDONJSA-N -1 3 296.342 2.147 20 10 CECDHM CCC(O)(CC)C(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC000855346469 644312218 /nfs/dbraw/zinc/31/22/18/644312218.db2.gz DEALMOHBDHMIOQ-UHFFFAOYSA-N -1 3 295.379 2.405 20 10 CECDHM C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000756380292 644639061 /nfs/dbraw/zinc/63/90/61/644639061.db2.gz GRDCNQWIGYEZNL-MEBBXXQBSA-N -1 3 288.322 2.409 20 10 CECDHM C[C@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1nncn1C ZINC000756531719 644659883 /nfs/dbraw/zinc/65/98/83/644659883.db2.gz BKZSRBIOODAJTN-YUMQZZPRSA-N -1 3 282.294 2.211 20 10 CECDHM Cc1cc(CN[C@H](C)c2ccc(F)cc2[O-])ncn1 ZINC000756774492 644691179 /nfs/dbraw/zinc/69/11/79/644691179.db2.gz DGRUALSCROXBJX-SNVBAGLBSA-N -1 3 261.300 2.481 20 10 CECDHM COc1c([O-])c(CNCc2ccoc2)ccc1[N+](=O)[O-] ZINC000774978452 646913049 /nfs/dbraw/zinc/91/30/49/646913049.db2.gz PSVILNLAUIXSHP-UHFFFAOYSA-N -1 3 278.264 2.192 20 10 CECDHM CO[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775702285 646982549 /nfs/dbraw/zinc/98/25/49/646982549.db2.gz NLKMLUOZKVJBPG-JTQLQIEISA-N -1 3 259.708 2.405 20 10 CECDHM C[C@@H]1CCN(Cc2c([O-])cccc2Cl)[C@@H](C(N)=O)C1 ZINC000779200496 647297272 /nfs/dbraw/zinc/29/72/72/647297272.db2.gz HDEMKOMTPINKBZ-BXKDBHETSA-N -1 3 282.771 2.131 20 10 CECDHM CCCc1cc(NC(=O)c2ccc(C)c(O)c2[O-])n(C)n1 ZINC000781014192 647491071 /nfs/dbraw/zinc/49/10/71/647491071.db2.gz NGMPOXXJEYZNBC-UHFFFAOYSA-N -1 3 289.335 2.345 20 10 CECDHM CC(C)C[C@]1(CO)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000789874529 648350793 /nfs/dbraw/zinc/35/07/93/648350793.db2.gz LBMHJMQBQGACSZ-INIZCTEOSA-N -1 3 293.363 2.111 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCc2ccc(O)cc2CC1 ZINC000790626536 648436598 /nfs/dbraw/zinc/43/65/98/648436598.db2.gz FWIKKSABMVQYHN-UHFFFAOYSA-N -1 3 299.326 2.044 20 10 CECDHM O=C(N[C@@H]1CCc2c1cccc2O)c1cccc(O)c1[O-] ZINC000790640321 648437133 /nfs/dbraw/zinc/43/71/33/648437133.db2.gz NNOPQGDJZSPKEQ-GFCCVEGCSA-N -1 3 285.299 2.221 20 10 CECDHM CCN(CC)C(=O)CNCc1c([O-])ccc(Cl)c1F ZINC000790956166 648462874 /nfs/dbraw/zinc/46/28/74/648462874.db2.gz PDMXTZCUXKCNNB-UHFFFAOYSA-N -1 3 288.750 2.143 20 10 CECDHM O=C(NCCc1ccc2c(c1)CCO2)c1cccc(O)c1[O-] ZINC000791015462 648472583 /nfs/dbraw/zinc/47/25/83/648472583.db2.gz BKHQDUJFHYIGNL-UHFFFAOYSA-N -1 3 299.326 2.005 20 10 CECDHM C[C@@]1(O)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792171181 648618805 /nfs/dbraw/zinc/61/88/05/648618805.db2.gz ZCCCZDYLRPORFD-GFCCVEGCSA-N -1 3 259.708 2.141 20 10 CECDHM Cc1nonc1CN[C@@H](C)c1cc(F)ccc1[O-] ZINC000872138030 649289306 /nfs/dbraw/zinc/28/93/06/649289306.db2.gz YXJWWTJNSUTQEY-ZETCQYMHSA-N -1 3 251.261 2.074 20 10 CECDHM CC(C)(C)N1CCN(Cc2ccc(Cl)cc2[O-])CC1=O ZINC001140465649 802951091 /nfs/dbraw/zinc/95/10/91/802951091.db2.gz PSACQIOFZBYVAR-UHFFFAOYSA-N -1 3 296.798 2.488 20 10 CECDHM C[C@@H]1CC[C@H](O)CN1Cc1c([O-])cc(F)cc1F ZINC001140582129 803177519 /nfs/dbraw/zinc/17/75/19/803177519.db2.gz DLOXZHMPERDWKH-SCZZXKLOSA-N -1 3 257.280 2.016 20 10 CECDHM CCOCC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001142830628 808412646 /nfs/dbraw/zinc/41/26/46/808412646.db2.gz XVXVJUQTJXWEPK-UHFFFAOYSA-N -1 3 294.738 2.247 20 10 CECDHM CCN1CCN(Cc2cc(F)cc(F)c2[O-])C[C@H]1C ZINC000708397969 809929096 /nfs/dbraw/zinc/92/90/96/809929096.db2.gz DQPHJUPGPOCJOB-SNVBAGLBSA-N -1 3 270.323 2.196 20 10 CECDHM O=S(=O)(Nc1ccc([O-])c(Br)c1)C1CC1 ZINC001259275172 811431442 /nfs/dbraw/zinc/43/14/42/811431442.db2.gz OQOPSGXMLPVPGO-UHFFFAOYSA-N -1 3 292.154 2.059 20 10 CECDHM CCn1nc(C)c(NC(=O)c2cccc(O)c2[O-])c1C ZINC001137042939 813851663 /nfs/dbraw/zinc/85/16/63/813851663.db2.gz JHEDJOKLAYHXIQ-UHFFFAOYSA-N -1 3 275.308 2.183 20 10 CECDHM CCc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cn1 ZINC001148580617 814590137 /nfs/dbraw/zinc/59/01/37/814590137.db2.gz IZCQOQIHMZRNNZ-UHFFFAOYSA-N -1 3 274.276 2.013 20 10 CECDHM CN(C)c1ccccc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148588650 814592000 /nfs/dbraw/zinc/59/20/00/814592000.db2.gz YFBQRFOLKOLBOP-UHFFFAOYSA-N -1 3 288.303 2.122 20 10 CECDHM CCOC(=O)[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684164 814750797 /nfs/dbraw/zinc/75/07/97/814750797.db2.gz RLVFMCVALOYKPP-SECBINFHSA-N -1 3 285.290 2.055 20 10 CECDHM CC1(O)CCN(Cc2c([O-])c(F)ccc2F)CC1 ZINC001139685641 816081673 /nfs/dbraw/zinc/08/16/73/816081673.db2.gz RDKVFCIYRSGXEO-UHFFFAOYSA-N -1 3 257.280 2.017 20 10 CECDHM Cn1ncc2c1CCN(Cc1c([O-])cccc1Cl)C2 ZINC001140341805 816237625 /nfs/dbraw/zinc/23/76/25/816237625.db2.gz IAFJHRXBZMGRST-UHFFFAOYSA-N -1 3 277.755 2.337 20 10 CECDHM [O-]c1cccc(Cl)c1CN1C[C@H](F)C[C@@H](CO)C1 ZINC001140338079 816238003 /nfs/dbraw/zinc/23/80/03/816238003.db2.gz UFGSKGKHTKIINO-NXEZZACHSA-N -1 3 273.735 2.198 20 10 CECDHM CCN1C[C@@H](C)N(Cc2ccc(Cl)cc2[O-])CC1=O ZINC001140464304 816260377 /nfs/dbraw/zinc/26/03/77/816260377.db2.gz KFSWRJUQKWXTBQ-SNVBAGLBSA-N -1 3 282.771 2.098 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@@](O)(CF)CC1 ZINC001140582638 816291261 /nfs/dbraw/zinc/29/12/61/816291261.db2.gz LCRXJMIWDHAGSQ-AWEZNQCLSA-N -1 3 289.297 2.357 20 10 CECDHM C[C@@H]1COCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508576 816678047 /nfs/dbraw/zinc/67/80/47/816678047.db2.gz DDMKKRXUFFLNCO-VIFPVBQESA-N -1 3 257.280 2.139 20 10 CECDHM CC(C)OC(=O)[C@H](C)N(C)Cc1cc(F)ccc1[O-] ZINC000180226799 368373604 /nfs/dbraw/zinc/37/36/04/368373604.db2.gz YFSOWALBJXJPGW-JTQLQIEISA-N -1 3 269.316 2.303 20 10 CECDHM CNC(=O)[C@H]1CCCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000179786846 368352325 /nfs/dbraw/zinc/35/23/25/368352325.db2.gz RKZOCLICKDJXBH-GFCCVEGCSA-N -1 3 282.771 2.064 20 10 CECDHM CC[C@H]1C(=O)NCCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000180037578 368364311 /nfs/dbraw/zinc/36/43/11/368364311.db2.gz GSBPWYSENOXXGZ-LBPRGKRZSA-N -1 3 282.771 2.064 20 10 CECDHM Cc1ccc(C(=O)N[C@H]2CCC[C@H]3OCC[C@@H]32)c([O-])c1O ZINC000182617173 368571547 /nfs/dbraw/zinc/57/15/47/368571547.db2.gz LYLPIHOEKSFHSY-KGYLQXTDSA-N -1 3 291.347 2.094 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1CC[C@H](C)S(=O)(=O)CC1 ZINC000367319920 373146761 /nfs/dbraw/zinc/14/67/61/373146761.db2.gz ZCBFUQUOMUVGTC-JSGCOSHPSA-N -1 3 297.420 2.352 20 10 CECDHM [O-]c1c(F)cccc1CN1CCOC[C@@H]1C1CC1 ZINC000272217371 373365543 /nfs/dbraw/zinc/36/55/43/373365543.db2.gz BJLXRWOJAKGRRB-CYBMUJFWSA-N -1 3 251.301 2.142 20 10 CECDHM Cc1ccc(C(=O)N[C@H]2CCCSC2)c([O-])c1O ZINC000272772178 373651286 /nfs/dbraw/zinc/65/12/86/373651286.db2.gz SPIUCCHQRZDLAT-VIFPVBQESA-N -1 3 267.350 2.032 20 10 CECDHM Cc1ccc(C(=O)NCC[C@@H]2CCO[C@H](C)C2)c([O-])c1O ZINC000273222727 373750000 /nfs/dbraw/zinc/75/00/00/373750000.db2.gz UBXWPYNOOZKLEU-VXGBXAGGSA-N -1 3 293.363 2.341 20 10 CECDHM Cc1c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cnn1C ZINC000273477835 373759924 /nfs/dbraw/zinc/75/99/24/373759924.db2.gz LGPLXNGDKRTGAF-SECBINFHSA-N -1 3 290.323 2.193 20 10 CECDHM [O-]c1c(Cl)cccc1CNCc1nnc(C2CC2)[nH]1 ZINC000294744818 378017482 /nfs/dbraw/zinc/01/74/82/378017482.db2.gz HPLSRPGDPJFGNR-UHFFFAOYSA-N -1 3 278.743 2.331 20 10 CECDHM [O-]c1c(Cl)cccc1CNCc1n[nH]c(C2CC2)n1 ZINC000294744818 378017488 /nfs/dbraw/zinc/01/74/88/378017488.db2.gz HPLSRPGDPJFGNR-UHFFFAOYSA-N -1 3 278.743 2.331 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@](C)(O)C2)c1[O-] ZINC000124254472 394837647 /nfs/dbraw/zinc/83/76/47/394837647.db2.gz VUGQKRYIXDUYPM-OAHLLOKOSA-N -1 3 281.327 2.081 20 10 CECDHM Cc1ccc(C(=O)NCC[C@@H]2CCCCO2)c([O-])c1O ZINC000183226112 395253279 /nfs/dbraw/zinc/25/32/79/395253279.db2.gz ODNNLIVSNDWLJJ-NSHDSACASA-N -1 3 279.336 2.095 20 10 CECDHM Cc1ncsc1CN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182408514 395240541 /nfs/dbraw/zinc/24/05/41/395240541.db2.gz XTPMXGBCYXXBRC-UHFFFAOYSA-N -1 3 292.360 2.443 20 10 CECDHM CO[C@H](CNC(=O)c1ccc(C)c(O)c1[O-])C(C)(C)C ZINC000179531500 395195652 /nfs/dbraw/zinc/19/56/52/395195652.db2.gz SRCJWOPBSNLZRF-LLVKDONJSA-N -1 3 281.352 2.197 20 10 CECDHM CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272751956 287243888 /nfs/dbraw/zinc/24/38/88/287243888.db2.gz OKXXILFZTPUCTP-WDEREUQCSA-N -1 3 279.336 2.046 20 10 CECDHM CO[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000175634371 261239423 /nfs/dbraw/zinc/23/94/23/261239423.db2.gz UBKGYGOJKBUYGL-CYBMUJFWSA-N -1 3 281.327 2.345 20 10 CECDHM Cc1ccc(C(=O)N2C[C@@H](C)OC(C)(C)C2)c([O-])c1O ZINC000177676498 261712013 /nfs/dbraw/zinc/71/20/13/261712013.db2.gz VCHNVTMBVBOLNG-SNVBAGLBSA-N -1 3 279.336 2.046 20 10 CECDHM Cc1ccc(C(=O)N2CC[C@H](OCC(C)C)C2)c([O-])c1O ZINC000182605569 261944809 /nfs/dbraw/zinc/94/48/09/261944809.db2.gz ABEHKYGMNVDRMX-LBPRGKRZSA-N -1 3 293.363 2.293 20 10 CECDHM Cc1cc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])no1 ZINC000373744457 267706505 /nfs/dbraw/zinc/70/65/05/267706505.db2.gz DCWUKVQUEGFWBY-GFCCVEGCSA-N -1 3 288.303 2.372 20 10 CECDHM [O-]c1ccccc1CN1CC(O)(c2ccccc2)C1 ZINC000291533698 328264681 /nfs/dbraw/zinc/26/46/81/328264681.db2.gz KNBRONYNZNKXLH-UHFFFAOYSA-N -1 3 255.317 2.096 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCOC[C@H]1c1ncon1 ZINC000377704656 329026129 /nfs/dbraw/zinc/02/61/29/329026129.db2.gz XQHNIFPSJHZBCN-OLZOCXBDSA-N -1 3 289.335 2.300 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CCC(n2cncn2)CC1 ZINC000179902503 329213260 /nfs/dbraw/zinc/21/32/60/329213260.db2.gz BSXHUPSVVWAENH-UHFFFAOYSA-N -1 3 292.770 2.474 20 10 CECDHM O=C1OCC[C@@]12CCCN2Cc1cc(Cl)ccc1[O-] ZINC000190041536 329392071 /nfs/dbraw/zinc/39/20/71/329392071.db2.gz YQJAWSBKJNDSLQ-AWEZNQCLSA-N -1 3 281.739 2.327 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C)[C@@H]2CO)c1[O-] ZINC000227057913 333275330 /nfs/dbraw/zinc/27/53/30/333275330.db2.gz VBZBHVZEULKVDE-OTYXRUKQSA-N -1 3 297.782 2.451 20 10 CECDHM CSC[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193138671 533817336 /nfs/dbraw/zinc/81/73/36/533817336.db2.gz CDDJMWCIRSYPNC-SECBINFHSA-N -1 3 267.350 2.065 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](C)[C@H]2C)c1[O-] ZINC000156367406 518287221 /nfs/dbraw/zinc/28/72/21/518287221.db2.gz RFURAEGLFNIJKG-KOLCDFICSA-N -1 3 281.327 2.343 20 10 CECDHM Cc1cc(Cl)cc(CN2CC(=O)N(C3CC3)C2)c1[O-] ZINC000280527092 524861074 /nfs/dbraw/zinc/86/10/74/524861074.db2.gz RIQVPUMMANLPDI-UHFFFAOYSA-N -1 3 280.755 2.118 20 10 CECDHM Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C3CC3)C2)c([O-])c1O ZINC000279590379 526140122 /nfs/dbraw/zinc/14/01/22/526140122.db2.gz APEJMQNADILVOF-GXFFZTMASA-N -1 3 291.347 2.046 20 10 CECDHM CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc([O-])cs1 ZINC000731863951 574604197 /nfs/dbraw/zinc/60/41/97/574604197.db2.gz GPKHQVRAKDVKHL-UHFFFAOYSA-N -1 3 291.328 2.455 20 10 CECDHM [O-]c1ccccc1CN(CCn1cncn1)Cc1ccco1 ZINC000732202628 574614828 /nfs/dbraw/zinc/61/48/28/574614828.db2.gz ZLNVMHWFGLEPPL-UHFFFAOYSA-N -1 3 298.346 2.279 20 10 CECDHM NC(=O)Nc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000732266904 574616513 /nfs/dbraw/zinc/61/65/13/574616513.db2.gz PGJRERPTEBKAIC-UHFFFAOYSA-N -1 3 277.305 2.197 20 10 CECDHM O=C(NCCN1CCc2ccccc21)c1cc([O-])cs1 ZINC000732274185 574617247 /nfs/dbraw/zinc/61/72/47/574617247.db2.gz MNQZIWFIQHUXHW-UHFFFAOYSA-N -1 3 288.372 2.246 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC(c2ncc[nH]2)CC1 ZINC000732279007 574617696 /nfs/dbraw/zinc/61/76/96/574617696.db2.gz BZSANWOOEFZIII-UHFFFAOYSA-N -1 3 277.349 2.197 20 10 CECDHM Cc1cc(C)n(CCOC(=O)c2cc([O-])cs2)n1 ZINC000732354738 574619716 /nfs/dbraw/zinc/61/97/16/574619716.db2.gz XZSYMXHXHLRHBJ-UHFFFAOYSA-N -1 3 266.322 2.124 20 10 CECDHM COc1cccc(CNc2ccc(-c3nnn[n-]3)cc2)c1O ZINC000737133011 574812210 /nfs/dbraw/zinc/81/22/10/574812210.db2.gz VCDZYRPESMKPEH-UHFFFAOYSA-N -1 3 297.318 2.193 20 10 CECDHM COc1cccc(CNc2ccc(-c3nn[n-]n3)cc2)c1O ZINC000737133011 574812213 /nfs/dbraw/zinc/81/22/13/574812213.db2.gz VCDZYRPESMKPEH-UHFFFAOYSA-N -1 3 297.318 2.193 20 10 CECDHM C[C@](O)(CNC(=O)c1cc([O-])cs1)c1cccs1 ZINC000740155048 574945568 /nfs/dbraw/zinc/94/55/68/574945568.db2.gz AHDMWTILVWKEPD-LBPRGKRZSA-N -1 3 283.374 2.153 20 10 CECDHM CCO[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000751533933 575291500 /nfs/dbraw/zinc/29/15/00/575291500.db2.gz FACIIYRHSYFKCN-NSHDSACASA-N -1 3 279.336 2.047 20 10 CECDHM CCOC(=O)[C@@H](NC(=O)c1cc([O-])cs1)C(C)(C)C ZINC000753344978 575324225 /nfs/dbraw/zinc/32/42/25/575324225.db2.gz YYCBWDCOZMAHKL-SNVBAGLBSA-N -1 3 285.365 2.161 20 10 CECDHM CN(C)c1ccnc(NC(=O)c2cc([O-])cs2)c1 ZINC000753487394 575327507 /nfs/dbraw/zinc/32/75/07/575327507.db2.gz TWXMRMFBTYPXKZ-UHFFFAOYSA-N -1 3 263.322 2.167 20 10 CECDHM Oc1ccc(F)cc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000226561276 609473458 /nfs/dbraw/zinc/47/34/58/609473458.db2.gz VQPKDALXVRLRKB-UHFFFAOYSA-N -1 3 285.282 2.324 20 10 CECDHM Cc1ccc(C(=O)Nc2ccc(N(C)C)cn2)c([O-])c1O ZINC000177677137 625812863 /nfs/dbraw/zinc/81/28/63/625812863.db2.gz ZRAWNETZCSPKBA-UHFFFAOYSA-N -1 3 287.319 2.120 20 10 CECDHM Cc1nc(C)c(CNC(=O)c2cccc(O)c2[O-])s1 ZINC000312094667 628115519 /nfs/dbraw/zinc/11/55/19/628115519.db2.gz QZQKUFCZDKZHKU-UHFFFAOYSA-N -1 3 278.333 2.101 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CC([C@H]2CCOC2)C1 ZINC000894604063 629549116 /nfs/dbraw/zinc/54/91/16/629549116.db2.gz HWMHEAIYQPUNAK-VIFPVBQESA-N -1 3 269.291 2.139 20 10 CECDHM CC[C@@H](NCc1ncnn1CC)c1ccc(F)cc1[O-] ZINC000796986634 630095460 /nfs/dbraw/zinc/09/54/60/630095460.db2.gz YSNYDYXLVZYZOI-GFCCVEGCSA-N -1 3 278.331 2.384 20 10 CECDHM COCCOc1ccc(CNCc2c([O-])cccc2F)o1 ZINC000896638669 630621813 /nfs/dbraw/zinc/62/18/13/630621813.db2.gz KLRXKPUUXQEMET-UHFFFAOYSA-N -1 3 295.310 2.439 20 10 CECDHM CC[C@@H](NCc1cnn(C)n1)c1cc(Cl)ccc1[O-] ZINC000806168678 631723367 /nfs/dbraw/zinc/72/33/67/631723367.db2.gz WRQJDZJDRGSGAR-GFCCVEGCSA-N -1 3 280.759 2.415 20 10 CECDHM Cc1noc(C2(NCc3cc(F)ccc3[O-])CC2)n1 ZINC000897898057 631967614 /nfs/dbraw/zinc/96/76/14/631967614.db2.gz WPMACOPGHCRMIM-UHFFFAOYSA-N -1 3 263.272 2.002 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCSC[C@H]1C1CCC1 ZINC000841465635 632028162 /nfs/dbraw/zinc/02/81/62/632028162.db2.gz QYEWWTKBHWBSQN-LBPRGKRZSA-N -1 3 293.388 2.456 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CNCc1ccon1 ZINC000816556024 633411930 /nfs/dbraw/zinc/41/19/30/633411930.db2.gz XHXHDYWFNLUPOC-UHFFFAOYSA-N -1 3 256.664 2.463 20 10 CECDHM Cc1cc([O-])c(CN2C[C@H](CO)OC(C)(C)C2)c(Cl)c1 ZINC000817412130 633650563 /nfs/dbraw/zinc/65/05/63/633650563.db2.gz DIWYDHVSKOHVFY-LLVKDONJSA-N -1 3 299.798 2.326 20 10 CECDHM CCOc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c([O-])c1 ZINC000817881188 633750970 /nfs/dbraw/zinc/75/09/70/633750970.db2.gz PXPYQAUBFOOFLS-WCQYABFASA-N -1 3 293.363 2.476 20 10 CECDHM CCOc1ccc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@@H]2C)c([O-])c1 ZINC000817881188 633750972 /nfs/dbraw/zinc/75/09/72/633750972.db2.gz PXPYQAUBFOOFLS-WCQYABFASA-N -1 3 293.363 2.476 20 10 CECDHM C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])N(C)C ZINC000822949397 635034133 /nfs/dbraw/zinc/03/41/33/635034133.db2.gz JLHNGCJCYZIKQE-SSDOTTSWSA-N -1 3 291.178 2.265 20 10 CECDHM CCN1CCCN(Cc2cc(Cl)c(C)cc2[O-])CC1=O ZINC000825651848 635685827 /nfs/dbraw/zinc/68/58/27/635685827.db2.gz MJXUSIAZHDEZIC-UHFFFAOYSA-N -1 3 296.798 2.408 20 10 CECDHM Cc1nnc(CN(C)Cc2cc(Cl)ccc2[O-])o1 ZINC000827039180 636194608 /nfs/dbraw/zinc/19/46/08/636194608.db2.gz JNWZOKFUMQDRKF-UHFFFAOYSA-N -1 3 267.716 2.369 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCc2ccccc21 ZINC000126225653 650477101 /nfs/dbraw/zinc/47/71/01/650477101.db2.gz GTBVEJICUVLAEU-UHFFFAOYSA-N -1 3 255.273 2.301 20 10 CECDHM Cc1ccccc1CNC(=O)c1cccc(O)c1[O-] ZINC000126273927 650512850 /nfs/dbraw/zinc/51/28/50/650512850.db2.gz ZZZOYRUTWLWPRE-UHFFFAOYSA-N -1 3 257.289 2.336 20 10 CECDHM COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC000843040666 640247829 /nfs/dbraw/zinc/24/78/29/640247829.db2.gz XEPSIHOCSJHIOU-GZMMTYOYSA-N -1 3 299.754 2.397 20 10 CECDHM CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000843041148 640248056 /nfs/dbraw/zinc/24/80/56/640248056.db2.gz OZNHDSIJQCEQCB-BXUZGUMPSA-N -1 3 293.363 2.334 20 10 CECDHM CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000843041148 640248062 /nfs/dbraw/zinc/24/80/62/640248062.db2.gz OZNHDSIJQCEQCB-BXUZGUMPSA-N -1 3 293.363 2.334 20 10 CECDHM COc1cc[n-]c(=NNC(=S)Nc2ccccc2C)n1 ZINC000914705073 640457014 /nfs/dbraw/zinc/45/70/14/640457014.db2.gz ZFFXRHWMHYHQBF-UHFFFAOYSA-N -1 3 289.364 2.107 20 10 CECDHM COc1cc(Cl)cc(C[N@@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])c1[O-] ZINC000844935129 640869781 /nfs/dbraw/zinc/86/97/81/640869781.db2.gz PJXPWTSYQDYAQL-KWQFWETISA-N -1 3 299.754 2.492 20 10 CECDHM COc1cc(Cl)cc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])c1[O-] ZINC000844935129 640869784 /nfs/dbraw/zinc/86/97/84/640869784.db2.gz PJXPWTSYQDYAQL-KWQFWETISA-N -1 3 299.754 2.492 20 10 CECDHM CC1(C)CN(Cc2cc(Cl)ccc2[O-])[C@@H]2COC[C@H]2O1 ZINC000846119174 641192575 /nfs/dbraw/zinc/19/25/75/641192575.db2.gz YEGKYTXBWFZDLB-TZMCWYRMSA-N -1 3 297.782 2.424 20 10 CECDHM C[C@@H](C[C@@H]1CCOC1)NC(=O)NCc1c([O-])cccc1F ZINC000921450679 641284271 /nfs/dbraw/zinc/28/42/71/641284271.db2.gz CNEPZBKAAXQEGQ-QWRGUYRKSA-N -1 3 296.342 2.146 20 10 CECDHM COc1ncc(C)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000179532604 641360685 /nfs/dbraw/zinc/36/06/85/641360685.db2.gz LBOMWYMAWHKAJG-UHFFFAOYSA-N -1 3 288.303 2.371 20 10 CECDHM Cc1ccc(C(=O)Nc2ccc(F)nc2)c([O-])c1O ZINC000182826721 641697357 /nfs/dbraw/zinc/69/73/57/641697357.db2.gz RIRHINVQKHHQIQ-UHFFFAOYSA-N -1 3 262.240 2.193 20 10 CECDHM Cc1cc(Cl)cc(C[NH2+]C[C@@H](C)C(=O)[O-])c1[O-] ZINC000848638511 642084836 /nfs/dbraw/zinc/08/48/36/642084836.db2.gz UURAHUYUNASCEY-MRVPVSSYSA-N -1 3 257.717 2.164 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1C[C@H]1C1CC1 ZINC000922788023 643265479 /nfs/dbraw/zinc/26/54/79/643265479.db2.gz SCYJPYZWZFDEKF-QWRGUYRKSA-N -1 3 278.327 2.377 20 10 CECDHM CC(C)[C@@H]1C[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922851187 643296778 /nfs/dbraw/zinc/29/67/78/643296778.db2.gz NNXOEJYGRJLFRD-JOYOIKCWSA-N -1 3 266.316 2.375 20 10 CECDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000923445831 643714591 /nfs/dbraw/zinc/71/45/91/643714591.db2.gz FEUWLRNCKUBVRN-QOBXEIRBSA-N -1 3 296.342 2.142 20 10 CECDHM COC[C@@]1(C)CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000862551816 646496111 /nfs/dbraw/zinc/49/61/11/646496111.db2.gz PXOPGFTWFVIEBR-CQSZACIVSA-N -1 3 285.771 2.283 20 10 CECDHM CN(C)c1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000790606243 648434842 /nfs/dbraw/zinc/43/48/42/648434842.db2.gz YUJQHSJEFPXCOM-UHFFFAOYSA-N -1 3 286.331 2.094 20 10 CECDHM [O-]c1ccc(Cl)c(F)c1CNC[C@@H](O)C(F)(F)F ZINC000790953853 648463866 /nfs/dbraw/zinc/46/38/66/648463866.db2.gz GTRJRMJCUIJWCT-MRVPVSSYSA-N -1 3 287.640 2.198 20 10 CECDHM Cc1nc(NC(=O)c2cccc(O)c2[O-])cs1 ZINC000790904694 648459308 /nfs/dbraw/zinc/45/93/08/648459308.db2.gz XMWZZQMZBAZHQK-UHFFFAOYSA-N -1 3 250.279 2.115 20 10 CECDHM CC[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@@H]1O ZINC000792173171 648618868 /nfs/dbraw/zinc/61/88/68/648618868.db2.gz TXCRVBIOMXSEJI-PELKAZGASA-N -1 3 273.735 2.387 20 10 CECDHM CCOC(=O)[C@@H](C)NCc1c([O-])cccc1Cl ZINC000127313480 651176329 /nfs/dbraw/zinc/17/63/29/651176329.db2.gz IBPSEXFIYWYEAJ-MRVPVSSYSA-N -1 3 257.717 2.087 20 10 CECDHM O=C(CNCc1cc(F)cc(F)c1[O-])NC1CCCCC1 ZINC000882992788 652310804 /nfs/dbraw/zinc/31/08/04/652310804.db2.gz OIRUHJQLCBNAQI-UHFFFAOYSA-N -1 3 298.333 2.209 20 10 CECDHM COC(=O)C[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142527332 806620455 /nfs/dbraw/zinc/62/04/55/806620455.db2.gz RQYXTEDIXFWRGG-JTQLQIEISA-N -1 3 299.317 2.446 20 10 CECDHM Cc1ccc(C(=O)Nc2cnn(C)c2Cl)c([O-])c1O ZINC001168365211 806767571 /nfs/dbraw/zinc/76/75/71/806767571.db2.gz OXFNQJCCCDECQM-UHFFFAOYSA-N -1 3 281.699 2.045 20 10 CECDHM CC(=O)N1CCN(Cc2c([O-])cccc2Cl)C[C@H]1C ZINC001140341909 802840603 /nfs/dbraw/zinc/84/06/03/802840603.db2.gz KCYWKCAJRCHAFG-SNVBAGLBSA-N -1 3 282.771 2.098 20 10 CECDHM CC(=O)N1CCC[C@@H](N(C)Cc2c([O-])cc(F)cc2F)C1 ZINC001140585930 803188005 /nfs/dbraw/zinc/18/80/05/803188005.db2.gz WMBQPMHUSUGZGB-GFCCVEGCSA-N -1 3 298.333 2.113 20 10 CECDHM CC(=O)N1CCC[C@H](N(C)Cc2c([O-])cc(F)cc2F)C1 ZINC001140585931 803189040 /nfs/dbraw/zinc/18/90/40/803189040.db2.gz WMBQPMHUSUGZGB-LBPRGKRZSA-N -1 3 298.333 2.113 20 10 CECDHM O=C(NCCC1SCCS1)c1cccc(O)c1[O-] ZINC000693799452 803322473 /nfs/dbraw/zinc/32/24/73/803322473.db2.gz ZYUJWXNVOIIHMI-UHFFFAOYSA-N -1 3 285.390 2.024 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](CCF)C1 ZINC000689823354 804228506 /nfs/dbraw/zinc/22/85/06/804228506.db2.gz VCOFSKDOCQSODQ-SNVBAGLBSA-N -1 3 267.300 2.310 20 10 CECDHM CCO[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000703517063 809653869 /nfs/dbraw/zinc/65/38/69/809653869.db2.gz IFYMMLSOJULWJO-JTQLQIEISA-N -1 3 257.280 2.281 20 10 CECDHM Cc1cc(CNCc2cc(F)cc(F)c2[O-])on1 ZINC000708536003 809945966 /nfs/dbraw/zinc/94/59/66/809945966.db2.gz SNJAEGLXBJZPBW-UHFFFAOYSA-N -1 3 254.236 2.257 20 10 CECDHM O=C(Nc1ccc(C2=NCCO2)cc1)c1cccc(O)c1[O-] ZINC001148218545 814538225 /nfs/dbraw/zinc/53/82/25/814538225.db2.gz DVSGPZXXNCCAHE-UHFFFAOYSA-N -1 3 298.298 2.127 20 10 CECDHM O=C(c1cccc(O)c1[O-])N(C1CCC1)C1CCOCC1 ZINC001148218954 814538334 /nfs/dbraw/zinc/53/83/34/814538334.db2.gz PGIZZZISOYLMTN-UHFFFAOYSA-N -1 3 291.347 2.272 20 10 CECDHM O=C(NC1CC2(C1)CC(F)(F)C2)c1cccc(O)c1[O-] ZINC001148224902 814538874 /nfs/dbraw/zinc/53/88/74/814538874.db2.gz ZBJWHRKYNZZFOO-UHFFFAOYSA-N -1 3 283.274 2.406 20 10 CECDHM Cc1cccc(C)c1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589693 814591518 /nfs/dbraw/zinc/59/15/18/814591518.db2.gz HJYSKSRKVKKFTB-UHFFFAOYSA-N -1 3 287.315 2.350 20 10 CECDHM C[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148585918 814591773 /nfs/dbraw/zinc/59/17/73/814591773.db2.gz DXKKNDJBGTXIST-NXEZZACHSA-N -1 3 279.336 2.360 20 10 CECDHM [O-]c1cccc(F)c1CN1CCc2cccnc2C1 ZINC001137840218 815694736 /nfs/dbraw/zinc/69/47/36/815694736.db2.gz TUYOPECSMLEQGF-UHFFFAOYSA-N -1 3 258.296 2.485 20 10 CECDHM COCc1noc2c1CN(Cc1cc(F)ccc1[O-])CC2 ZINC001140054632 816177909 /nfs/dbraw/zinc/17/79/09/816177909.db2.gz UIKBRIWVURKSLJ-UHFFFAOYSA-N -1 3 292.310 2.224 20 10 CECDHM C[C@]1(CO)CC(F)(F)CN1Cc1cc(F)ccc1[O-] ZINC001140057176 816178858 /nfs/dbraw/zinc/17/88/58/816178858.db2.gz CSYJSVUFPIGOMF-GFCCVEGCSA-N -1 3 275.270 2.123 20 10 CECDHM O=C1CCN(Cc2cc(F)ccc2[O-])CC[C@@H]1F ZINC001140058187 816180668 /nfs/dbraw/zinc/18/06/68/816180668.db2.gz TVPMZZMGQZBBDB-NSHDSACASA-N -1 3 255.264 2.034 20 10 CECDHM CO[C@H]1CCCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140579938 816288924 /nfs/dbraw/zinc/28/89/24/816288924.db2.gz NCUIAKBODYFJKR-JTQLQIEISA-N -1 3 257.280 2.281 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@@H](O)CC1 ZINC001140582104 816290706 /nfs/dbraw/zinc/29/07/06/816290706.db2.gz DDIVMCZXAKSIAW-SNVBAGLBSA-N -1 3 257.280 2.017 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@@](F)(CO)CC1 ZINC001140582651 816291345 /nfs/dbraw/zinc/29/13/45/816291345.db2.gz LQYQZKBFRIBUSZ-AWEZNQCLSA-N -1 3 289.297 2.357 20 10 CECDHM CO[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508551 816676945 /nfs/dbraw/zinc/67/69/45/816676945.db2.gz CQFFFKGQAAEHMR-JTQLQIEISA-N -1 3 257.280 2.281 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CC[C@]12CCOC2 ZINC001142531062 816681241 /nfs/dbraw/zinc/68/12/41/816681241.db2.gz OJZAWZUYWXMHRS-CYBMUJFWSA-N -1 3 255.264 2.035 20 10 CECDHM O=C(NCc1c([O-])cccc1F)[C@H]1Cc2ccccc21 ZINC001178412836 816743690 /nfs/dbraw/zinc/74/36/90/816743690.db2.gz HQYAACGHEYGPGU-LBPRGKRZSA-N -1 3 271.291 2.487 20 10 CECDHM CCCOc1ccc(CN2CCC[C@@H]2C(=O)OC)c([O-])c1 ZINC000124805040 365661038 /nfs/dbraw/zinc/66/10/38/365661038.db2.gz NGAXPIJXJABZTO-CQSZACIVSA-N -1 3 293.363 2.318 20 10 CECDHM CN(CC(=O)N1CCCCCC1)Cc1ccccc1[O-] ZINC000111236160 364725151 /nfs/dbraw/zinc/72/51/51/364725151.db2.gz BSJJJUVNJFGNJG-UHFFFAOYSA-N -1 3 276.380 2.227 20 10 CECDHM CN(C)C(=O)[C@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC000179637633 368346588 /nfs/dbraw/zinc/34/65/88/368346588.db2.gz BPBOKTMEHGSCOV-GFCCVEGCSA-N -1 3 282.771 2.098 20 10 CECDHM Cc1noc(C)c1[C@@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000185881755 368879192 /nfs/dbraw/zinc/87/91/92/368879192.db2.gz NYBSOWSSWJPEMW-QMMMGPOBSA-N -1 3 290.319 2.236 20 10 CECDHM CN(Cc1c(Cl)cnn1C)Cc1ccccc1[O-] ZINC000189740241 369565672 /nfs/dbraw/zinc/56/56/72/369565672.db2.gz AFDMEGMENFPSIO-UHFFFAOYSA-N -1 3 265.744 2.411 20 10 CECDHM Cn1cc([C@@H]2CSCCN2Cc2ccccc2[O-])cn1 ZINC000191735217 369737904 /nfs/dbraw/zinc/73/79/04/369737904.db2.gz UBRXFEBYCRWTOH-AWEZNQCLSA-N -1 3 289.404 2.416 20 10 CECDHM CCOC(=O)[C@@H](C)N(Cc1ccccc1[O-])C1CC1 ZINC000191713302 369735755 /nfs/dbraw/zinc/73/57/55/369735755.db2.gz WJOGJUVAGHCJOZ-LLVKDONJSA-N -1 3 263.337 2.308 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)Cc2ccon2)c1[O-] ZINC000267463631 372074593 /nfs/dbraw/zinc/07/45/93/372074593.db2.gz UCSXIYWAJUPSKS-UHFFFAOYSA-N -1 3 278.283 2.354 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000269865263 372582733 /nfs/dbraw/zinc/58/27/33/372582733.db2.gz XAEDWTJQQPEQQD-QMTHXVAHSA-N -1 3 295.354 2.469 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Oc2ccccc2)C1 ZINC000366152676 372992569 /nfs/dbraw/zinc/99/25/69/372992569.db2.gz SFLVFFHVVYSCGA-CYBMUJFWSA-N -1 3 299.326 2.391 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H]2CCOC[C@H]21 ZINC000366495800 373071199 /nfs/dbraw/zinc/07/11/99/373071199.db2.gz HLQVSQIXWPTQQA-TZMCWYRMSA-N -1 3 283.755 2.035 20 10 CECDHM CC[C@H](NCc1nnc2n1CCC2)c1ccccc1[O-] ZINC000271710370 373198063 /nfs/dbraw/zinc/19/80/63/373198063.db2.gz OGRSJQWURRJHPC-LBPRGKRZSA-N -1 3 272.352 2.171 20 10 CECDHM COc1ccc(CN(C)Cc2ccccc2[O-])nc1 ZINC000271886648 373205933 /nfs/dbraw/zinc/20/59/33/373205933.db2.gz DAEBNBFGLYSJFF-UHFFFAOYSA-N -1 3 258.321 2.428 20 10 CECDHM COCC[C@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000368265180 373231041 /nfs/dbraw/zinc/23/10/41/373231041.db2.gz IHJYIDALGMFVMA-ZDUSSCGKSA-N -1 3 285.771 2.283 20 10 CECDHM Cc1ccc(C(=O)NC[C@H](O)C2CCCCC2)c([O-])c1O ZINC000272711703 373625040 /nfs/dbraw/zinc/62/50/40/373625040.db2.gz FCWNMBGZWZZBJI-ZDUSSCGKSA-N -1 3 293.363 2.077 20 10 CECDHM CC(=O)c1cc(F)cc(CN2[C@@H](C)CCC[C@H]2CO)c1[O-] ZINC000272697732 373618717 /nfs/dbraw/zinc/61/87/17/373618717.db2.gz VPHMXEKKOIMKPZ-HZMBPMFUSA-N -1 3 295.354 2.469 20 10 CECDHM Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCCCO2)c([O-])c1O ZINC000272890639 373696088 /nfs/dbraw/zinc/69/60/88/373696088.db2.gz ARECRYSGVTWLHF-PWSUYJOCSA-N -1 3 279.336 2.094 20 10 CECDHM CC[C@H](C)N(CC(=O)OC)Cc1ccccc1[O-] ZINC000281402563 375376758 /nfs/dbraw/zinc/37/67/58/375376758.db2.gz XRCBALWLMNVJPF-NSHDSACASA-N -1 3 251.326 2.166 20 10 CECDHM O=C(N[C@@H]1CCCC12CCOCC2)c1cccc(O)c1[O-] ZINC000282466520 375491304 /nfs/dbraw/zinc/49/13/04/375491304.db2.gz LAJJIUJZMZEBQK-CYBMUJFWSA-N -1 3 291.347 2.177 20 10 CECDHM Cn1nncc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000288385402 376375941 /nfs/dbraw/zinc/37/59/41/376375941.db2.gz GKQUNZJKCMLBOW-UHFFFAOYSA-N -1 3 287.150 2.117 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CC2(C1)CCOC2 ZINC000293997896 377863849 /nfs/dbraw/zinc/86/38/49/377863849.db2.gz MDDVFMBZPRCTQA-UHFFFAOYSA-N -1 3 253.729 2.268 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN(CCO)C1CC1 ZINC000295351122 378118002 /nfs/dbraw/zinc/11/80/02/378118002.db2.gz NGCJTUMFDWWFIS-UHFFFAOYSA-N -1 3 259.708 2.141 20 10 CECDHM Cc1ccc(C(=O)NCCC(C)(F)F)c([O-])c1O ZINC000295916406 378353911 /nfs/dbraw/zinc/35/39/11/378353911.db2.gz IMSUISNVTYOARV-UHFFFAOYSA-N -1 3 259.252 2.181 20 10 CECDHM COc1cc(Cl)cc(CN(C2CC2)C2COC2)c1[O-] ZINC000296171507 378439132 /nfs/dbraw/zinc/43/91/32/378439132.db2.gz XHMSUYKISRVPGU-UHFFFAOYSA-N -1 3 283.755 2.417 20 10 CECDHM C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000365677455 394930748 /nfs/dbraw/zinc/93/07/48/394930748.db2.gz OMSCJFPKLBGOAP-XPTSAGLGSA-N -1 3 285.299 2.350 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1CCS(=O)(=O)C[C@H](C)C1 ZINC000368034795 394976154 /nfs/dbraw/zinc/97/61/54/394976154.db2.gz CSRFEAZEEXTFOG-OCCSQVGLSA-N -1 3 297.420 2.210 20 10 CECDHM CCCN(CC(=O)OC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000176890408 395143903 /nfs/dbraw/zinc/14/39/03/395143903.db2.gz CKVDCGOJHDKIJB-UHFFFAOYSA-N -1 3 297.326 2.119 20 10 CECDHM CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000177675693 395154085 /nfs/dbraw/zinc/15/40/85/395154085.db2.gz QRTKVUNYAKWMKV-NSHDSACASA-N -1 3 279.336 2.047 20 10 CECDHM C[C@H](O)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293490050 395235537 /nfs/dbraw/zinc/23/55/37/395235537.db2.gz ANGJQGKKWDAVBM-DTWKUNHWSA-N -1 3 273.735 2.387 20 10 CECDHM COC(C)(C)C[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182509005 395242624 /nfs/dbraw/zinc/24/26/24/395242624.db2.gz FSPOFLXZMHKUCW-SNVBAGLBSA-N -1 3 281.352 2.340 20 10 CECDHM CCOC(=O)CN(Cc1ccccc1[O-])CC(C)C ZINC000179559663 395194927 /nfs/dbraw/zinc/19/49/27/395194927.db2.gz FZDPAILVPPZCBP-UHFFFAOYSA-N -1 3 265.353 2.413 20 10 CECDHM O=C(c1cccc(O)c1[O-])N(Cc1cccnc1)C1CC1 ZINC000186859815 262112783 /nfs/dbraw/zinc/11/27/83/262112783.db2.gz MUAYABXHFIZHJP-UHFFFAOYSA-N -1 3 284.315 2.298 20 10 CECDHM CCN(C)C(=O)[C@@H](C)NCc1cccc(Cl)c1[O-] ZINC000188486206 262157175 /nfs/dbraw/zinc/15/71/75/262157175.db2.gz KSDOEVQREDAPBJ-SECBINFHSA-N -1 3 270.760 2.002 20 10 CECDHM CC[C@@H](C)[C@H](CNC(=O)c1ccc(C)c(O)c1[O-])OC ZINC000296269210 263188979 /nfs/dbraw/zinc/18/89/79/263188979.db2.gz WWFXSFDOYXWQQS-SKDRFNHKSA-N -1 3 281.352 2.197 20 10 CECDHM CN(Cc1cccc(Cl)c1[O-])[C@@H]1CCCCNC1=O ZINC000367725071 267113623 /nfs/dbraw/zinc/11/36/23/267113623.db2.gz RCDGQFZHILSYSC-GFCCVEGCSA-N -1 3 282.771 2.146 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000368028317 267137556 /nfs/dbraw/zinc/13/75/56/267137556.db2.gz CPLFLXXWTMOKAE-YUTCNCBUSA-N -1 3 293.363 2.106 20 10 CECDHM Cc1ccc(C(=O)N2CCS[C@H](C)CC2)c([O-])c1O ZINC000191945912 301514156 /nfs/dbraw/zinc/51/41/56/301514156.db2.gz NDNJWHVIQDELQA-SNVBAGLBSA-N -1 3 281.377 2.374 20 10 CECDHM O=C1NCCN(Cc2ccccc2[O-])[C@@H]1c1ccccc1 ZINC000179565345 329209770 /nfs/dbraw/zinc/20/97/70/329209770.db2.gz MRWGIRNOXRCLPU-MRXNPFEDSA-N -1 3 282.343 2.065 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@]2(CCOC2)C1 ZINC000187532856 329359038 /nfs/dbraw/zinc/35/90/38/329359038.db2.gz SSRDKYSPZDOXBB-AWEZNQCLSA-N -1 3 283.755 2.037 20 10 CECDHM CCn1ncc(CN[C@@H]2C[C@H](C)c3c2c([O-])ccc3F)n1 ZINC000527922429 330295901 /nfs/dbraw/zinc/29/59/01/330295901.db2.gz GIGFOFMCJJMEQM-JOYOIKCWSA-N -1 3 290.342 2.481 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN(C)CC(C)(C)O)c1[O-] ZINC000081747347 330352144 /nfs/dbraw/zinc/35/21/44/330352144.db2.gz OFNMIXOUTHRNKG-UHFFFAOYSA-N -1 3 285.771 2.451 20 10 CECDHM CCC(C)(C)OC1CN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000529809102 333509770 /nfs/dbraw/zinc/50/97/70/333509770.db2.gz VOWMLAUAATYZPZ-UHFFFAOYSA-N -1 3 293.363 2.436 20 10 CECDHM CCCN(CCO)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000050145958 521666930 /nfs/dbraw/zinc/66/69/30/521666930.db2.gz DBYLNFAXMHFELF-UHFFFAOYSA-N -1 3 285.771 2.453 20 10 CECDHM CC[C@H](N[C@@H](C)C(=O)NC)c1cccc(Cl)c1[O-] ZINC000292006729 522684076 /nfs/dbraw/zinc/68/40/76/522684076.db2.gz YHESKARELRDLTC-KWQFWETISA-N -1 3 270.760 2.221 20 10 CECDHM CC[C@@H]1CN(Cc2ccccc2[O-])C[C@H](C)[S@]1=O ZINC000289586375 523456533 /nfs/dbraw/zinc/45/65/33/523456533.db2.gz KFAVSSOQVPJPMO-SRBZOADZSA-N -1 3 267.394 2.124 20 10 CECDHM C[C@@H](N[C@H](C)c1cc(F)ccc1[O-])c1nncn1C ZINC000094617332 525656659 /nfs/dbraw/zinc/65/66/59/525656659.db2.gz SZGGYRKQBHWMMF-RKDXNWHRSA-N -1 3 264.304 2.072 20 10 CECDHM Cc1c(CNCc2c([O-])cccc2Cl)cnn1C ZINC000156578641 525725243 /nfs/dbraw/zinc/72/52/43/525725243.db2.gz PLKIGYAUBMFNOU-UHFFFAOYSA-N -1 3 265.744 2.377 20 10 CECDHM Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C3CC3)C2)c([O-])c1O ZINC000279590390 526137061 /nfs/dbraw/zinc/13/70/61/526137061.db2.gz APEJMQNADILVOF-ZWNOBZJWSA-N -1 3 291.347 2.046 20 10 CECDHM CCN(C[C@@H]1CCCO1)C(=O)c1cc([O-])cs1 ZINC000731870030 574604454 /nfs/dbraw/zinc/60/44/54/574604454.db2.gz IIRVSCGQIZFWTN-JTQLQIEISA-N -1 3 255.339 2.095 20 10 CECDHM CCOc1ncccc1CNC(=O)c1cc([O-])cs1 ZINC000732267217 574616548 /nfs/dbraw/zinc/61/65/48/574616548.db2.gz DBABIYYGEIDAMF-UHFFFAOYSA-N -1 3 278.333 2.177 20 10 CECDHM COCC1(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000756851958 574824868 /nfs/dbraw/zinc/82/48/68/574824868.db2.gz XIMHKEXOELDYMX-VIFPVBQESA-N -1 3 266.297 2.130 20 10 CECDHM COc1ccc2ccc([O-])c(C[N@H+](C)CC(=O)[O-])c2c1 ZINC000739940478 574936994 /nfs/dbraw/zinc/93/69/94/574936994.db2.gz HSOJNNHZNVWNCO-UHFFFAOYSA-N -1 3 275.304 2.070 20 10 CECDHM COc1ccc2ccc([O-])c(C[N@@H+](C)CC(=O)[O-])c2c1 ZINC000739940478 574936995 /nfs/dbraw/zinc/93/69/95/574936995.db2.gz HSOJNNHZNVWNCO-UHFFFAOYSA-N -1 3 275.304 2.070 20 10 CECDHM O=C([O-])N(CCC[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000740488692 574956149 /nfs/dbraw/zinc/95/61/49/574956149.db2.gz ITMSCFOSPHKOCG-UHFFFAOYSA-N -1 3 264.325 2.014 20 10 CECDHM Cn1ncnc1CN(Cc1ccco1)Cc1ccccc1[O-] ZINC000750044380 575244795 /nfs/dbraw/zinc/24/47/95/575244795.db2.gz HCOVWLHWFDKJGI-UHFFFAOYSA-N -1 3 298.346 2.316 20 10 CECDHM O=C([O-])C1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000236427177 598212829 /nfs/dbraw/zinc/21/28/29/598212829.db2.gz YKPUKCBGUPXLRT-UHFFFAOYSA-N -1 3 267.300 2.264 20 10 CECDHM CN(C)c1ccc(CN(C)Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000833695368 605100039 /nfs/dbraw/zinc/10/00/39/605100039.db2.gz MZMPSLHVUBYEOW-UHFFFAOYSA-N -1 3 287.363 2.411 20 10 CECDHM Cc1ccc(O)c(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000071407721 608866910 /nfs/dbraw/zinc/86/69/10/608866910.db2.gz QTVCIJHPILYLBJ-UHFFFAOYSA-N -1 3 281.319 2.493 20 10 CECDHM Cc1ccc(O)c(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000071407721 608866913 /nfs/dbraw/zinc/86/69/13/608866913.db2.gz QTVCIJHPILYLBJ-UHFFFAOYSA-N -1 3 281.319 2.493 20 10 CECDHM Cc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)c([O-])c1O ZINC000179498486 625456549 /nfs/dbraw/zinc/45/65/49/625456549.db2.gz DGFYQMMZMZNFRS-UHFFFAOYSA-N -1 3 298.298 2.153 20 10 CECDHM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1O ZINC000779199525 623398275 /nfs/dbraw/zinc/39/82/75/623398275.db2.gz CZLGFXCKJHLAOM-PELKAZGASA-N -1 3 273.735 2.387 20 10 CECDHM CC1(O)CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894029675 629095779 /nfs/dbraw/zinc/09/57/79/629095779.db2.gz BJHAHRQADOMUHJ-UHFFFAOYSA-N -1 3 257.280 2.017 20 10 CECDHM CC1(C)CC2(CC(NC(=O)c3cccc(O)c3[O-])C2)CO1 ZINC000889727707 629370756 /nfs/dbraw/zinc/37/07/56/629370756.db2.gz SPZKULRZOXSUDG-UHFFFAOYSA-N -1 3 291.347 2.175 20 10 CECDHM CCn1cc(CNCc2c([O-])cccc2F)c(C)n1 ZINC000896636719 630620405 /nfs/dbraw/zinc/62/04/05/630620405.db2.gz BAPXXDABYCFQPE-UHFFFAOYSA-N -1 3 263.316 2.346 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](c2ccccn2)C1 ZINC000799065321 630968325 /nfs/dbraw/zinc/96/83/25/630968325.db2.gz FCSFSQCPPGPWPL-NSHDSACASA-N -1 3 284.315 2.123 20 10 CECDHM CCCc1nc(C(=O)NCc2c([O-])cccc2F)co1 ZINC000928709006 631129724 /nfs/dbraw/zinc/12/97/24/631129724.db2.gz VIZCSNKBFKOHJF-UHFFFAOYSA-N -1 3 278.283 2.402 20 10 CECDHM O=C(NCc1c([O-])cccc1F)C1(c2ccccn2)CC1 ZINC000928711244 631130455 /nfs/dbraw/zinc/13/04/55/631130455.db2.gz MBNZTKVQWFWPDI-UHFFFAOYSA-N -1 3 286.306 2.274 20 10 CECDHM Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928712585 631131097 /nfs/dbraw/zinc/13/10/97/631131097.db2.gz UAAJMTLIOQYSFR-MRVPVSSYSA-N -1 3 291.326 2.291 20 10 CECDHM CC(C)(/C=C/Cl)NC(=O)c1cccc(O)c1[O-] ZINC000928930442 631212651 /nfs/dbraw/zinc/21/26/51/631212651.db2.gz PISGCBRGZXVUBI-VOTSOKGWSA-N -1 3 255.701 2.359 20 10 CECDHM [O-]c1c(Br)cccc1CN1CC2(C1)CCOC2 ZINC000816670069 633460286 /nfs/dbraw/zinc/46/02/86/633460286.db2.gz LCIAEWPDWUQXFW-UHFFFAOYSA-N -1 3 298.180 2.377 20 10 CECDHM CC[C@H](NCC(F)(F)CN)c1ccc(F)cc1[O-] ZINC000817967402 633810619 /nfs/dbraw/zinc/81/06/19/633810619.db2.gz HIESICWAUUOOJP-JTQLQIEISA-N -1 3 262.275 2.166 20 10 CECDHM Cc1cc([O-])c(CN(C)CC(=O)NC(C)C)cc1Cl ZINC000824535703 635444723 /nfs/dbraw/zinc/44/47/23/635444723.db2.gz USVYFHWPMBOPKG-UHFFFAOYSA-N -1 3 284.787 2.310 20 10 CECDHM CCn1cc(CNCc2cc(Cl)c(C)cc2[O-])nn1 ZINC000827088042 636209724 /nfs/dbraw/zinc/20/97/24/636209724.db2.gz YYDGNVKFSNWDKM-UHFFFAOYSA-N -1 3 280.759 2.255 20 10 CECDHM O=C(NC1([C@@H]2CCCCO2)CCC1)c1cccc(O)c1[O-] ZINC000830166603 636997396 /nfs/dbraw/zinc/99/73/96/636997396.db2.gz LIMBMHNDLPBZFI-ZDUSSCGKSA-N -1 3 291.347 2.319 20 10 CECDHM C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCS1 ZINC000834656749 637908083 /nfs/dbraw/zinc/90/80/83/637908083.db2.gz YKCKMIBKQCTXIV-BDAKNGLRSA-N -1 3 267.350 2.112 20 10 CECDHM O=C(NCCc1ccc(F)cc1)c1cccc(O)c1[O-] ZINC000126201349 650469591 /nfs/dbraw/zinc/46/95/91/650469591.db2.gz LGYNHOYUSHQRTO-UHFFFAOYSA-N -1 3 275.279 2.209 20 10 CECDHM COC(=O)CN(Cc1c([O-])cc(C)cc1Cl)C1CC1 ZINC000840921884 639586675 /nfs/dbraw/zinc/58/66/75/639586675.db2.gz HLIDDMPJGHILHP-UHFFFAOYSA-N -1 3 283.755 2.491 20 10 CECDHM Cc1cc([O-])c(CN2CC(=O)N(CC3CC3)C2)c(Cl)c1 ZINC000840940957 639593646 /nfs/dbraw/zinc/59/36/46/639593646.db2.gz PKRMIXLRFINEKU-UHFFFAOYSA-N -1 3 294.782 2.366 20 10 CECDHM COc1ccc(CN(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000126281549 650531939 /nfs/dbraw/zinc/53/19/39/650531939.db2.gz YDVDEWNDJNOMHX-UHFFFAOYSA-N -1 3 287.315 2.379 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](c2cccnc2)C1 ZINC000843962354 640564645 /nfs/dbraw/zinc/56/46/45/640564645.db2.gz BZJVHXDUHSFJGU-LBPRGKRZSA-N -1 3 284.315 2.123 20 10 CECDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1nccs1 ZINC000126440473 650641909 /nfs/dbraw/zinc/64/19/09/650641909.db2.gz CTDPXAVFSFUVOI-VIFPVBQESA-N -1 3 278.333 2.435 20 10 CECDHM CC1(CNC(=O)NCc2c([O-])cccc2F)CCOCC1 ZINC000921378179 641261926 /nfs/dbraw/zinc/26/19/26/641261926.db2.gz QAKZCGMFUBYNFC-UHFFFAOYSA-N -1 3 296.342 2.147 20 10 CECDHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000769464750 642135662 /nfs/dbraw/zinc/13/56/62/642135662.db2.gz AABIPSPIBYVNPX-MHNGPXOMSA-N -1 3 287.812 2.387 20 10 CECDHM COC(=O)[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])[C@H]1C ZINC000877465853 650732517 /nfs/dbraw/zinc/73/25/17/650732517.db2.gz BWDSSCRGXJQJRZ-WPRPVWTQSA-N -1 3 285.290 2.054 20 10 CECDHM COCc1nnc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])[n-]1 ZINC000850517728 642736995 /nfs/dbraw/zinc/73/69/95/642736995.db2.gz ZWGZVOJUCJLJEH-QMMMGPOBSA-N -1 3 296.758 2.161 20 10 CECDHM CO[C@@H]([C@H](C)NC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000922761699 643245424 /nfs/dbraw/zinc/24/54/24/643245424.db2.gz FQMAHJHAJZGIPH-XPTSAGLGSA-N -1 3 296.342 2.144 20 10 CECDHM Cn1ncc2c1CN(Cc1c([O-])cccc1Cl)C2 ZINC000877632571 650824388 /nfs/dbraw/zinc/82/43/88/650824388.db2.gz FVEWSNDHNVJESJ-UHFFFAOYSA-N -1 3 263.728 2.295 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)Cc2c[nH]cn2)c1[O-] ZINC000852287345 643379845 /nfs/dbraw/zinc/37/98/45/643379845.db2.gz VBHOSNLSHVIREA-UHFFFAOYSA-N -1 3 277.299 2.089 20 10 CECDHM O=C(NCc1c([O-])cccc1F)N[C@H]1C=CCC1 ZINC000923242727 643617957 /nfs/dbraw/zinc/61/79/57/643617957.db2.gz MDVRXUJCEQLWLC-VIFPVBQESA-N -1 3 250.273 2.049 20 10 CECDHM C[C@@H](NCc1nnnn1C1CC1)c1cc(Cl)ccc1[O-] ZINC000756732572 644687401 /nfs/dbraw/zinc/68/74/01/644687401.db2.gz MOZOWFIZAKCJJE-MRVPVSSYSA-N -1 3 293.758 2.218 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](c2ccccc2)C1 ZINC000776355597 647051015 /nfs/dbraw/zinc/05/10/15/647051015.db2.gz OWYBRCBNBRRYGL-HNNXBMFYSA-N -1 3 299.326 2.312 20 10 CECDHM CC(C)CN1CCN(Cc2c([O-])cccc2Cl)CC1=O ZINC000779200048 647297261 /nfs/dbraw/zinc/29/72/61/647297261.db2.gz RUEBUCSDIDEZJD-UHFFFAOYSA-N -1 3 296.798 2.346 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)Cc2ncc[nH]2)c1[O-] ZINC000788453764 647548178 /nfs/dbraw/zinc/54/81/78/647548178.db2.gz DNXDDDFBHSMRSQ-UHFFFAOYSA-N -1 3 277.299 2.089 20 10 CECDHM CCN(CCc1ccccn1)C(=O)c1cccc(O)c1[O-] ZINC000790772972 648446933 /nfs/dbraw/zinc/44/69/33/648446933.db2.gz NPAJQFIUCQDMMK-UHFFFAOYSA-N -1 3 286.331 2.198 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC(CCF)CC1 ZINC000870278910 648756739 /nfs/dbraw/zinc/75/67/39/648756739.db2.gz FMPSBGCBVIEEQJ-UHFFFAOYSA-N -1 3 267.300 2.310 20 10 CECDHM O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1cccc(O)c1[O-] ZINC000871120456 649009100 /nfs/dbraw/zinc/00/91/00/649009100.db2.gz PQBPEXYTBBTYKB-UONOGXRCSA-N -1 3 291.347 2.175 20 10 CECDHM CCOc1ccc(C[NH2+]CCCCC(=O)[O-])c([O-])c1 ZINC000874043244 649740379 /nfs/dbraw/zinc/74/03/79/649740379.db2.gz RVVFORLFNCRFGI-UHFFFAOYSA-N -1 3 267.325 2.135 20 10 CECDHM COC(=O)[C@@H]1CCCN1Cc1c([O-])cc(OC)cc1Cl ZINC001236800458 808167714 /nfs/dbraw/zinc/16/77/14/808167714.db2.gz YYYQTLRYVNGIMJ-LBPRGKRZSA-N -1 3 299.754 2.192 20 10 CECDHM CN1CCN(Cc2ccc(F)c(F)c2[O-])CC1(C)C ZINC000703515632 809654204 /nfs/dbraw/zinc/65/42/04/809654204.db2.gz CMQPRJXBRVMFQB-UHFFFAOYSA-N -1 3 270.323 2.196 20 10 CECDHM CCC[C@H](CNC(=O)c1cccc(O)c1[O-])OCC ZINC000705329047 809778681 /nfs/dbraw/zinc/77/86/81/809778681.db2.gz VEYFHLXJENYXER-SNVBAGLBSA-N -1 3 267.325 2.033 20 10 CECDHM Cc1c(NCc2c([O-])cccc2Cl)nnn1C ZINC000706423780 809822599 /nfs/dbraw/zinc/82/25/99/809822599.db2.gz DIUIGTFSTHYDHR-UHFFFAOYSA-N -1 3 252.705 2.095 20 10 CECDHM O=C(Nc1cc2ccccc2oc1=O)c1cccc(O)c1[O-] ZINC001148213170 814537974 /nfs/dbraw/zinc/53/79/74/814537974.db2.gz ZAWNSBCRHXLVRR-UHFFFAOYSA-N -1 3 297.266 2.457 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CC2(C1)CCOCC2 ZINC001139685135 816082122 /nfs/dbraw/zinc/08/21/22/816082122.db2.gz VOBUZMHCCCEEQB-UHFFFAOYSA-N -1 3 269.291 2.283 20 10 CECDHM C[C@@]1(O)CCCN(Cc2c([O-])c(F)ccc2F)C1 ZINC001139683266 816082162 /nfs/dbraw/zinc/08/21/62/816082162.db2.gz JXUQFEWSLDGJAQ-CYBMUJFWSA-N -1 3 257.280 2.017 20 10 CECDHM COC(=O)C[C@@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686169 816083975 /nfs/dbraw/zinc/08/39/75/816083975.db2.gz PTTPCMFSFJWLCX-JTQLQIEISA-N -1 3 299.317 2.446 20 10 CECDHM [O-]c1ccc(F)cc1CN1CC(N2CCC(F)(F)C2)C1 ZINC001140055103 816178782 /nfs/dbraw/zinc/17/87/82/816178782.db2.gz JADOVYAXCFXUOE-UHFFFAOYSA-N -1 3 286.297 2.057 20 10 CECDHM CCNC(=O)[C@@H]1CCCN1Cc1c([O-])cccc1Cl ZINC001140342325 816238321 /nfs/dbraw/zinc/23/83/21/816238321.db2.gz DEZQQMJCLHKMII-LBPRGKRZSA-N -1 3 282.771 2.146 20 10 CECDHM CC(C)C(=O)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140464125 816259649 /nfs/dbraw/zinc/25/96/49/816259649.db2.gz CIIGWGNLZRJWFV-UHFFFAOYSA-N -1 3 296.798 2.346 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CC2(CC(O)C2)C1 ZINC001140461396 816260683 /nfs/dbraw/zinc/26/06/83/816260683.db2.gz KUCVFLXYDSIMOY-UHFFFAOYSA-N -1 3 253.729 2.002 20 10 CECDHM COC(=O)[C@H]1C[C@H](C)CN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583839 816292686 /nfs/dbraw/zinc/29/26/86/816292686.db2.gz VQZQXCVOLYTZCY-UWVGGRQHSA-N -1 3 299.317 2.301 20 10 CECDHM O=C1CCC[C@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@@H]12 ZINC001140584861 816295000 /nfs/dbraw/zinc/29/50/00/816295000.db2.gz HRLDVVDQBMDTME-GXSJLCMTSA-N -1 3 281.302 2.471 20 10 CECDHM Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c1[O-] ZINC000840995636 816617469 /nfs/dbraw/zinc/61/74/69/816617469.db2.gz AALVHKZGEMRQGV-LLVKDONJSA-N -1 3 269.728 2.403 20 10 CECDHM Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c1[O-] ZINC000840995636 816617473 /nfs/dbraw/zinc/61/74/73/816617473.db2.gz AALVHKZGEMRQGV-LLVKDONJSA-N -1 3 269.728 2.403 20 10 CECDHM CN(Cc1cnn(C)c1)Cc1cc(F)c(F)cc1[O-] ZINC001142502770 816675953 /nfs/dbraw/zinc/67/59/53/816675953.db2.gz XJLAWEHZYNWPTC-UHFFFAOYSA-N -1 3 267.279 2.036 20 10 CECDHM Cc1cc(Cl)cc(CN2CCNC(=O)C2(C)C)c1[O-] ZINC000180051062 368366995 /nfs/dbraw/zinc/36/69/95/368366995.db2.gz DCELBEPUDKCVFR-UHFFFAOYSA-N -1 3 282.771 2.064 20 10 CECDHM CCOC1CC(CCNC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000191111974 369678261 /nfs/dbraw/zinc/67/82/61/369678261.db2.gz MXENVIHVVXUJRC-UHFFFAOYSA-N -1 3 293.363 2.341 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CC[C@H](n2cncn2)C1 ZINC000364505094 372743221 /nfs/dbraw/zinc/74/32/21/372743221.db2.gz DGDKKIGRJXVADM-NSHDSACASA-N -1 3 278.743 2.084 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCCC2(C1)OCCO2 ZINC000272717801 373627833 /nfs/dbraw/zinc/62/78/33/373627833.db2.gz DTOGHJGIMDJZQW-UHFFFAOYSA-N -1 3 283.755 2.385 20 10 CECDHM CNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1[O-] ZINC000374872750 374633742 /nfs/dbraw/zinc/63/37/42/374633742.db2.gz FHZMKZZZAMLHNW-MRXNPFEDSA-N -1 3 296.370 2.065 20 10 CECDHM Cc1ccc(C(=O)N[C@H]2CSC2(C)C)c([O-])c1O ZINC000283359465 375695783 /nfs/dbraw/zinc/69/57/83/375695783.db2.gz NBHSCZXRQSEEIO-VIFPVBQESA-N -1 3 267.350 2.030 20 10 CECDHM CC[C@H](NCCS(=O)(=O)CC)c1ccc(F)cc1[O-] ZINC000285918644 375844133 /nfs/dbraw/zinc/84/41/33/375844133.db2.gz DQYGIKNWJCKPRK-LBPRGKRZSA-N -1 3 289.372 2.007 20 10 CECDHM CC[C@H](N[C@@H](C)c1nncn1C)c1ccc(F)cc1[O-] ZINC000286375900 375931683 /nfs/dbraw/zinc/93/16/83/375931683.db2.gz ZUMJPFQEUZUFHG-CABZTGNLSA-N -1 3 278.331 2.462 20 10 CECDHM CON(CC(C)(C)C)C(=O)c1cccc(O)c1[O-] ZINC000286594345 376006742 /nfs/dbraw/zinc/00/67/42/376006742.db2.gz UGKYGFNYGNOYKS-UHFFFAOYSA-N -1 3 253.298 2.148 20 10 CECDHM COC[C@@H]1CCN1Cc1cc(Br)ccc1[O-] ZINC000293594594 377647511 /nfs/dbraw/zinc/64/75/11/377647511.db2.gz IRVQJVPXQHXKLP-NSHDSACASA-N -1 3 286.169 2.375 20 10 CECDHM C[C@H](N[C@@H]1COC[C@H]1O)c1ccc(Cl)c(Cl)c1[O-] ZINC000295982603 378381068 /nfs/dbraw/zinc/38/10/68/378381068.db2.gz OWWPCNURXXSAJR-WQGWLQIFSA-N -1 3 292.162 2.109 20 10 CECDHM [O-]c1c(Cl)cc(Cl)cc1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368352509 394985499 /nfs/dbraw/zinc/98/54/99/394985499.db2.gz SKZQKLKTUSWCEG-URLYPYJESA-N -1 3 288.174 2.369 20 10 CECDHM Cc1ccc(C(=O)N2C[C@H](C)OC(C)(C)C2)c([O-])c1O ZINC000177676485 395154189 /nfs/dbraw/zinc/15/41/89/395154189.db2.gz VCHNVTMBVBOLNG-JTQLQIEISA-N -1 3 279.336 2.046 20 10 CECDHM CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])C[C@H](C)O1 ZINC000182423959 395241814 /nfs/dbraw/zinc/24/18/14/395241814.db2.gz CHMJNRCGAMFDDZ-QWRGUYRKSA-N -1 3 279.336 2.046 20 10 CECDHM CCOCCC1(CNC(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000182888454 395250361 /nfs/dbraw/zinc/25/03/61/395250361.db2.gz ATTCJUNOCPEULS-UHFFFAOYSA-N -1 3 293.363 2.343 20 10 CECDHM Cc1ccc(C(=O)N(C)CCc2ccccn2)c([O-])c1O ZINC000179478190 395195199 /nfs/dbraw/zinc/19/51/99/395195199.db2.gz ULYJHOUGXGFVGY-UHFFFAOYSA-N -1 3 286.331 2.116 20 10 CECDHM COc1c([O-])c(CN2CCC[C@H]2CF)ccc1[N+](=O)[O-] ZINC000293864891 395255036 /nfs/dbraw/zinc/25/50/36/395255036.db2.gz CGEXWZOZBSVZQV-JTQLQIEISA-N -1 3 284.287 2.243 20 10 CECDHM COC(=O)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000183486795 395258102 /nfs/dbraw/zinc/25/81/02/395258102.db2.gz FJDYACKLVPIXLC-UHFFFAOYSA-N -1 3 283.755 2.431 20 10 CECDHM COc1c([O-])c(CN2CCSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278232071 286186997 /nfs/dbraw/zinc/18/69/97/286186997.db2.gz MYKUWKLQIMXZOW-SECBINFHSA-N -1 3 298.364 2.246 20 10 CECDHM COC[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000081072267 260182234 /nfs/dbraw/zinc/18/22/34/260182234.db2.gz PMLSRYJEDAJEPX-NSHDSACASA-N -1 3 281.327 2.202 20 10 CECDHM C[C@@H](CCc1ccco1)NC(=O)c1cccc(O)c1[O-] ZINC000126321397 260350145 /nfs/dbraw/zinc/35/01/45/260350145.db2.gz HGUTYGCQOHXKCA-JTQLQIEISA-N -1 3 275.304 2.442 20 10 CECDHM C[C@@H](CCc1cccn1C)NC(=O)c1cccc(O)c1[O-] ZINC000187138686 262126102 /nfs/dbraw/zinc/12/61/02/262126102.db2.gz FAYSRYQJTHMXKK-NSHDSACASA-N -1 3 288.347 2.187 20 10 CECDHM C[C@@H](NC[C@H](O)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276947818 263038758 /nfs/dbraw/zinc/03/87/58/263038758.db2.gz QJPSZPUQWBWUON-XRGYYRRGSA-N -1 3 285.212 2.244 20 10 CECDHM CO[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1(C)C ZINC000296956017 263198890 /nfs/dbraw/zinc/19/88/90/263198890.db2.gz JUUGAKFMHSVRJZ-GFCCVEGCSA-N -1 3 293.363 2.293 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCO[C@H]2CCOC[C@H]21 ZINC000366498134 288167561 /nfs/dbraw/zinc/16/75/61/288167561.db2.gz RFJXWONGZIOFLT-FMKPAKJESA-N -1 3 277.364 2.333 20 10 CECDHM CC(C)(C)OC(=O)N1CCN(Cc2ccccc2[O-])CC1 ZINC000084857712 518811103 /nfs/dbraw/zinc/81/11/03/518811103.db2.gz CSZAERQMMXPJAH-UHFFFAOYSA-N -1 3 292.379 2.445 20 10 CECDHM CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@H](C)OC ZINC000291105867 521329096 /nfs/dbraw/zinc/32/90/96/521329096.db2.gz SCVCCTFNHRRPPQ-JTQLQIEISA-N -1 3 298.339 2.166 20 10 CECDHM CCn1cc([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cn1 ZINC000296890339 523469435 /nfs/dbraw/zinc/46/94/35/523469435.db2.gz IGGZXIUKQGKTIX-JTQLQIEISA-N -1 3 289.335 2.114 20 10 CECDHM COC(=O)[C@@H](CC(C)C)NCc1ccccc1[O-] ZINC000036980435 523570082 /nfs/dbraw/zinc/57/00/82/523570082.db2.gz FHNMRIPJJUJRBT-GFCCVEGCSA-N -1 3 251.326 2.070 20 10 CECDHM C[C@@H](C[S@](C)=O)N(C)Cc1cccc(Cl)c1[O-] ZINC000131040985 524878447 /nfs/dbraw/zinc/87/84/47/524878447.db2.gz JUQJAQWLMOTIMH-HUTHGQBESA-N -1 3 275.801 2.244 20 10 CECDHM C[C@@H](NCC1(C)OCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000277101394 525419709 /nfs/dbraw/zinc/41/97/09/525419709.db2.gz HBCAINVKUQRSTG-SNVBAGLBSA-N -1 3 296.323 2.104 20 10 CECDHM [O-]c1ccc(F)cc1CN1CC(O)(c2ccc(F)cc2)C1 ZINC000365671249 526345952 /nfs/dbraw/zinc/34/59/52/526345952.db2.gz ZNJPMYJBLKZLOT-UHFFFAOYSA-N -1 3 291.297 2.374 20 10 CECDHM COc1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000731863813 574604111 /nfs/dbraw/zinc/60/41/11/574604111.db2.gz DPQJYVRGWUHDQA-UHFFFAOYSA-N -1 3 263.318 2.392 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCN(c2ccccc2)CC1 ZINC000731864121 574604244 /nfs/dbraw/zinc/60/42/44/574604244.db2.gz PQAVECOKVIFQBQ-UHFFFAOYSA-N -1 3 288.372 2.416 20 10 CECDHM CN(Cc1cscn1)C(=O)c1cc([O-])cs1 ZINC000732277758 574617371 /nfs/dbraw/zinc/61/73/71/574617371.db2.gz OKXLGPLUOXTJHO-UHFFFAOYSA-N -1 3 254.336 2.182 20 10 CECDHM C[C@@](O)(CNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000734023894 574698854 /nfs/dbraw/zinc/69/88/54/574698854.db2.gz QJYKSZZXIPEMBL-CQSZACIVSA-N -1 3 277.345 2.091 20 10 CECDHM Cc1ccc(C(=O)Nc2cnn(C(C)C)c2)c([O-])c1O ZINC000751537705 575291606 /nfs/dbraw/zinc/29/16/06/575291606.db2.gz HMXHBFHVLAZBOY-UHFFFAOYSA-N -1 3 275.308 2.436 20 10 CECDHM Cc1cc(Cl)cc(C[N@@H+](C)[C@H](C)C(=O)[O-])c1[O-] ZINC000820976812 598182459 /nfs/dbraw/zinc/18/24/59/598182459.db2.gz SDGUITNRIZVBKP-MRVPVSSYSA-N -1 3 257.717 2.259 20 10 CECDHM Cc1cc(Cl)cc(C[N@H+](C)[C@H](C)C(=O)[O-])c1[O-] ZINC000820976812 598182460 /nfs/dbraw/zinc/18/24/60/598182460.db2.gz SDGUITNRIZVBKP-MRVPVSSYSA-N -1 3 257.717 2.259 20 10 CECDHM C[C@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000833834180 605592605 /nfs/dbraw/zinc/59/26/05/605592605.db2.gz MVVSZLAYPMXOIY-VHSXEESVSA-N -1 3 282.315 2.009 20 10 CECDHM C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000833834180 605592606 /nfs/dbraw/zinc/59/26/06/605592606.db2.gz MVVSZLAYPMXOIY-VHSXEESVSA-N -1 3 282.315 2.009 20 10 CECDHM [O-]c1ccc(Br)cc1CNCc1cocn1 ZINC000310041814 628273588 /nfs/dbraw/zinc/27/35/88/628273588.db2.gz YZZSSQRTWRIFGY-UHFFFAOYSA-N -1 3 283.125 2.433 20 10 CECDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])[C@H](C)CN1C ZINC000894482274 629481476 /nfs/dbraw/zinc/48/14/76/629481476.db2.gz BJVQHGVLABQZIC-NXEZZACHSA-N -1 3 270.323 2.195 20 10 CECDHM O=C(Cc1cc(C2CC2)no1)NCc1c([O-])cccc1F ZINC000928710025 631129878 /nfs/dbraw/zinc/12/98/78/631129878.db2.gz FZWVGXUGQUXDHL-UHFFFAOYSA-N -1 3 290.294 2.256 20 10 CECDHM O=C(NCc1c([O-])cccc1F)c1noc2c1CCCC2 ZINC000928711204 631130743 /nfs/dbraw/zinc/13/07/43/631130743.db2.gz HLGUIQGINUCEGJ-UHFFFAOYSA-N -1 3 290.294 2.328 20 10 CECDHM CC1(C)CCN(Cc2cc(F)ccc2[O-])CC[S@@]1=O ZINC000322051810 631715399 /nfs/dbraw/zinc/71/53/99/631715399.db2.gz AJSUVDKAAPZISZ-IBGZPJMESA-N -1 3 285.384 2.264 20 10 CECDHM Cn1cnc(CNCc2c([O-])cccc2Br)c1 ZINC000898041781 632033189 /nfs/dbraw/zinc/03/31/89/632033189.db2.gz ASEQORHUPCCEEQ-UHFFFAOYSA-N -1 3 296.168 2.178 20 10 CECDHM Cc1cc(Br)c([O-])c(CNc2cn(C)nn2)c1 ZINC000812345858 632516420 /nfs/dbraw/zinc/51/64/20/632516420.db2.gz SFBMJZYNIRVVJO-UHFFFAOYSA-N -1 3 297.156 2.204 20 10 CECDHM CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c([O-])c1 ZINC000817881189 633750448 /nfs/dbraw/zinc/75/04/48/633750448.db2.gz PXPYQAUBFOOFLS-YPMHNXCESA-N -1 3 293.363 2.476 20 10 CECDHM CCOc1ccc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c([O-])c1 ZINC000817881189 633750452 /nfs/dbraw/zinc/75/04/52/633750452.db2.gz PXPYQAUBFOOFLS-YPMHNXCESA-N -1 3 293.363 2.476 20 10 CECDHM CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c([O-])c1 ZINC000818631027 633966038 /nfs/dbraw/zinc/96/60/38/633966038.db2.gz AGOMPPBHQCUDRM-NHYWBVRUSA-N -1 3 293.363 2.476 20 10 CECDHM CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c([O-])c1 ZINC000818631027 633966044 /nfs/dbraw/zinc/96/60/44/633966044.db2.gz AGOMPPBHQCUDRM-NHYWBVRUSA-N -1 3 293.363 2.476 20 10 CECDHM C[C@@H]1C[C@H](O)CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000825315446 635614112 /nfs/dbraw/zinc/61/41/12/635614112.db2.gz AUIDHNGDPCIFKL-SCZZXKLOSA-N -1 3 273.735 2.387 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CC[C@@H](O)C(F)(F)C1 ZINC000826958707 636173288 /nfs/dbraw/zinc/17/32/88/636173288.db2.gz SCDNJCJXKIUQFP-LLVKDONJSA-N -1 3 277.698 2.248 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000827292725 636282943 /nfs/dbraw/zinc/28/29/43/636282943.db2.gz RZFKJSZKDOIPKT-TVQRCGJNSA-N -1 3 271.719 2.141 20 10 CECDHM COC(=O)[C@](C)(CCF)NCc1cc(Cl)ccc1[O-] ZINC000827352184 636301838 /nfs/dbraw/zinc/30/18/38/636301838.db2.gz ARNPOCPFFSIRJI-ZDUSSCGKSA-N -1 3 289.734 2.427 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCOCC12CCCCC2 ZINC000837003558 639013060 /nfs/dbraw/zinc/01/30/60/639013060.db2.gz HKTIURNBZGPKGW-UHFFFAOYSA-N -1 3 291.347 2.273 20 10 CECDHM CC(C)n1nccc1NC(=O)c1cccc(O)c1[O-] ZINC000126203593 650469651 /nfs/dbraw/zinc/46/96/51/650469651.db2.gz XBLFBVMDYXKXTB-UHFFFAOYSA-N -1 3 261.281 2.128 20 10 CECDHM CCCCN(CC(N)=O)Cc1c([O-])cc(C)cc1Cl ZINC000840910763 639582017 /nfs/dbraw/zinc/58/20/17/639582017.db2.gz LIDPEKONXVJXQG-UHFFFAOYSA-N -1 3 284.787 2.441 20 10 CECDHM Cc1cc([O-])c(CN(C)CC(=O)NC(C)C)c(Cl)c1 ZINC000840909244 639583454 /nfs/dbraw/zinc/58/34/54/639583454.db2.gz DUKXYDUYODEHPI-UHFFFAOYSA-N -1 3 284.787 2.310 20 10 CECDHM CS[C@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000229412892 639698241 /nfs/dbraw/zinc/69/82/41/639698241.db2.gz MXWKXWUKBGCNCJ-IUCAKERBSA-N -1 3 267.350 2.112 20 10 CECDHM O=C(NCc1ccc(F)cc1F)c1cccc(O)c1[O-] ZINC000126378011 650606312 /nfs/dbraw/zinc/60/63/12/650606312.db2.gz UXOKQDXJUBQSHX-UHFFFAOYSA-N -1 3 279.242 2.306 20 10 CECDHM CCN(CC)c1ccc(CN=c2ncnc3[nH][n-]cc2-3)cc1 ZINC000917085436 640847520 /nfs/dbraw/zinc/84/75/20/640847520.db2.gz MPVREEMPXDINRE-UHFFFAOYSA-N -1 3 296.378 2.185 20 10 CECDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)S1 ZINC000126430468 650638322 /nfs/dbraw/zinc/63/83/22/650638322.db2.gz WMUXAFHDIHAHSI-IUCAKERBSA-N -1 3 267.350 2.064 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NC1CC=CC1 ZINC000921454942 641286822 /nfs/dbraw/zinc/28/68/22/641286822.db2.gz YADIXGJIMGZATJ-UHFFFAOYSA-N -1 3 250.273 2.049 20 10 CECDHM C[C@H](CC(=O)c1ccco1)NC(=O)c1cccc(O)c1[O-] ZINC000185840576 642038438 /nfs/dbraw/zinc/03/84/38/642038438.db2.gz NEIAHEWCDBUMEU-SECBINFHSA-N -1 3 289.287 2.082 20 10 CECDHM O=C([O-])C[C@@H](NCc1ccc2c(c1)CCO2)c1ccncc1 ZINC000849230130 642290593 /nfs/dbraw/zinc/29/05/93/642290593.db2.gz AZYRCCUQBOJBGP-OAHLLOKOSA-N -1 3 298.342 2.322 20 10 CECDHM C[C@@H]1CC[C@@H](O)CN1Cc1ccc(F)c(F)c1[O-] ZINC000877595627 650806981 /nfs/dbraw/zinc/80/69/81/650806981.db2.gz GQVLXUBQAHIAQP-PSASIEDQSA-N -1 3 257.280 2.016 20 10 CECDHM CC[C@@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000922933973 643462336 /nfs/dbraw/zinc/46/23/36/643462336.db2.gz MLIFAKOOXFKZMP-GHMZBOCLSA-N -1 3 296.342 2.288 20 10 CECDHM CC(C)C1(O)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000839132782 644169449 /nfs/dbraw/zinc/16/94/49/644169449.db2.gz LPCGWPIVVYMYLE-UHFFFAOYSA-N -1 3 255.745 2.248 20 10 CECDHM CCn1cnnc1CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756420369 644648072 /nfs/dbraw/zinc/64/80/72/644648072.db2.gz JIQPVSGRXIOTMY-QMMMGPOBSA-N -1 3 282.294 2.133 20 10 CECDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cnn(C)c2C)c1 ZINC000756873065 644704359 /nfs/dbraw/zinc/70/43/59/644704359.db2.gz GIJZMOXPYLNKOC-SECBINFHSA-N -1 3 289.335 2.394 20 10 CECDHM CCOC(=O)CN(CC)Cc1c([O-])cccc1Cl ZINC000769006809 646191106 /nfs/dbraw/zinc/19/11/06/646191106.db2.gz QVMYVOYMEJHMPR-UHFFFAOYSA-N -1 3 271.744 2.431 20 10 CECDHM CN(Cc1cc[nH]n1)Cc1c([O-])cccc1Cl ZINC000769384869 646257376 /nfs/dbraw/zinc/25/73/76/646257376.db2.gz QGYZOMFHTWBPEV-UHFFFAOYSA-N -1 3 251.717 2.401 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000770304370 646378616 /nfs/dbraw/zinc/37/86/16/646378616.db2.gz MLNIWOYNVCCFIS-HUUCEWRRSA-N -1 3 297.782 2.425 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CCc2cn[nH]c2C1 ZINC000775713998 646983414 /nfs/dbraw/zinc/98/34/14/646983414.db2.gz PETAUNYRRKOZBE-UHFFFAOYSA-N -1 3 263.728 2.327 20 10 CECDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000787696915 648129018 /nfs/dbraw/zinc/12/90/18/648129018.db2.gz UIAGKWCXPCXGHR-JTQLQIEISA-N -1 3 277.242 2.415 20 10 CECDHM O=C(NC[C@@H]1CC1(Cl)Cl)c1cccc(O)c1[O-] ZINC000790528481 648427204 /nfs/dbraw/zinc/42/72/04/648427204.db2.gz QHTLGLCRCIVNGD-LURJTMIESA-N -1 3 276.119 2.021 20 10 CECDHM CC(C)Cc1cc(NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000790647830 648437690 /nfs/dbraw/zinc/43/76/90/648437690.db2.gz ZKHQSFLRKLZUSJ-UHFFFAOYSA-N -1 3 275.308 2.272 20 10 CECDHM Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1cccc(O)c1[O-] ZINC000790729293 648443184 /nfs/dbraw/zinc/44/31/84/648443184.db2.gz KIKYJSCYJJPCSC-CYBMUJFWSA-N -1 3 299.330 2.004 20 10 CECDHM Cc1noc([C@@H](C)NCc2cc(F)ccc2[O-])n1 ZINC000792177100 648619787 /nfs/dbraw/zinc/61/97/87/648619787.db2.gz RXFXBRREXPVTKZ-SSDOTTSWSA-N -1 3 251.261 2.074 20 10 CECDHM O=C(NOCCCC(F)(F)F)c1cccc(O)c1[O-] ZINC000871214448 649035843 /nfs/dbraw/zinc/03/58/43/649035843.db2.gz FZOZNHCOJKXGQJ-UHFFFAOYSA-N -1 3 279.214 2.102 20 10 CECDHM COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])C2)c1[O-] ZINC000874045715 649740937 /nfs/dbraw/zinc/74/09/37/649740937.db2.gz CWEGMFMUKNWJML-WKFQBHICSA-N -1 3 285.727 2.007 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN[C@H]1CCn2ccnc21 ZINC000883131673 652372834 /nfs/dbraw/zinc/37/28/34/652372834.db2.gz MPPBRWTWXYPKJI-NSHDSACASA-N -1 3 265.263 2.102 20 10 CECDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])CC(F)F ZINC000697691147 806678603 /nfs/dbraw/zinc/67/86/03/806678603.db2.gz MNCCKKBPAHRCNB-SSDOTTSWSA-N -1 3 259.252 2.119 20 10 CECDHM O=C(NCc1c([O-])cccc1F)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000922236310 809073369 /nfs/dbraw/zinc/07/33/69/809073369.db2.gz GTQWYFHSKZLPJR-WOFXILAISA-N -1 3 264.300 2.129 20 10 CECDHM [O-]c1c(CNc2cnnnc2)cc(Cl)c2cccnc12 ZINC001168522250 807923686 /nfs/dbraw/zinc/92/36/86/807923686.db2.gz CWOUSXKMATWFRJ-UHFFFAOYSA-N -1 3 287.710 2.391 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCO[C@@H](CCF)C1 ZINC000700589866 809326296 /nfs/dbraw/zinc/32/62/96/809326296.db2.gz DEQBIDJUMDEJNL-LBPRGKRZSA-N -1 3 257.280 2.092 20 10 CECDHM C[C@H](NCc1ccc(F)c(F)c1[O-])C(=O)NC(C)(C)C ZINC000700764957 809352207 /nfs/dbraw/zinc/35/22/07/809352207.db2.gz NNTJXQLQILJXKK-QMMMGPOBSA-N -1 3 286.322 2.063 20 10 CECDHM C[C@@]1(F)CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1F ZINC001148211910 814536462 /nfs/dbraw/zinc/53/64/62/814536462.db2.gz BVMFJNKQXYXVAV-GXFFZTMASA-N -1 3 271.263 2.010 20 10 CECDHM CC[C@H](C)C[C@H](C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589792 814592148 /nfs/dbraw/zinc/59/21/48/814592148.db2.gz LGLKJUGZWJSRSH-IUCAKERBSA-N -1 3 267.325 2.358 20 10 CECDHM C[C@H]1CCCN(Cc2c([O-])c(F)ccc2F)[C@@H]1CO ZINC001139683452 814731295 /nfs/dbraw/zinc/73/12/95/814731295.db2.gz CYUIYRBIQSIBIR-TVQRCGJNSA-N -1 3 271.307 2.263 20 10 CECDHM [O-]c1c(F)cccc1CN1CCc2ncccc2C1 ZINC001138127951 815733019 /nfs/dbraw/zinc/73/30/19/815733019.db2.gz YUHMSKBNFXYIQY-UHFFFAOYSA-N -1 3 258.296 2.485 20 10 CECDHM C[C@H]1CCN(Cc2cccc(F)c2[O-])CCC1=O ZINC001138124086 815733531 /nfs/dbraw/zinc/73/35/31/815733531.db2.gz YUSLDZRRQRSISY-JTQLQIEISA-N -1 3 251.301 2.332 20 10 CECDHM C[C@@H]1CN(C)[C@@H](C)CN1Cc1c(F)ccc(F)c1[O-] ZINC001139681584 816079570 /nfs/dbraw/zinc/07/95/70/816079570.db2.gz UFXNMCGLTHHFKQ-VHSXEESVSA-N -1 3 270.323 2.195 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CC2(C1)CCCO2 ZINC001140463243 816260792 /nfs/dbraw/zinc/26/07/92/816260792.db2.gz XKMVGFHNKBLAPX-UHFFFAOYSA-N -1 3 253.729 2.410 20 10 CECDHM O=C1OCCC12CCN(Cc1c([O-])cc(F)cc1F)CC2 ZINC001140584348 816293345 /nfs/dbraw/zinc/29/33/45/816293345.db2.gz NXFDGHRFPJPBGX-UHFFFAOYSA-N -1 3 297.301 2.200 20 10 CECDHM CN(Cc1ncc(Cl)n1C)Cc1ccccc1[O-] ZINC000171936775 367642303 /nfs/dbraw/zinc/64/23/03/367642303.db2.gz JPYCIPPPCHMZGM-UHFFFAOYSA-N -1 3 265.744 2.411 20 10 CECDHM COC(=O)CN(Cc1cc(F)ccc1[O-])C1CCCC1 ZINC000180210181 368373551 /nfs/dbraw/zinc/37/35/51/368373551.db2.gz HEPFVQVPEJOIBJ-UHFFFAOYSA-N -1 3 281.327 2.449 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCOC[C@H]1C1CC1 ZINC000180196747 368371265 /nfs/dbraw/zinc/37/12/65/368371265.db2.gz QDRIIKIVABFROW-ZDUSSCGKSA-N -1 3 251.301 2.142 20 10 CECDHM CCCCN(CC(N)=O)Cc1cc(Cl)cc(C)c1[O-] ZINC000179768384 368350056 /nfs/dbraw/zinc/35/00/56/368350056.db2.gz VKWVZTKBJIRURH-UHFFFAOYSA-N -1 3 284.787 2.441 20 10 CECDHM C[C@@]1(O)CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000180377824 368377610 /nfs/dbraw/zinc/37/76/10/368377610.db2.gz BPLXGSMLMWUMDY-CYBMUJFWSA-N -1 3 255.745 2.392 20 10 CECDHM COCCO[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000188822507 369413990 /nfs/dbraw/zinc/41/39/90/369413990.db2.gz BDFFASQGVBDFCF-LBPRGKRZSA-N -1 3 285.771 2.283 20 10 CECDHM C[C@@H](NCc1ccnn1C)c1ccc(F)c(F)c1[O-] ZINC000191200229 369689170 /nfs/dbraw/zinc/68/91/70/369689170.db2.gz QIHNNKNANPNAHA-MRVPVSSYSA-N -1 3 267.279 2.255 20 10 CECDHM CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H]1O ZINC000270835111 372974522 /nfs/dbraw/zinc/97/45/22/372974522.db2.gz DDYJJRNICYVRPI-IINYFYTJSA-N -1 3 297.782 2.451 20 10 CECDHM CN1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000271159048 373152141 /nfs/dbraw/zinc/15/21/41/373152141.db2.gz CKNXLDAROJRGBV-UHFFFAOYSA-N -1 3 296.370 2.333 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CC[C@H](C)S(=O)(=O)CC1 ZINC000367319919 373147527 /nfs/dbraw/zinc/14/75/27/373147527.db2.gz ZCBFUQUOMUVGTC-GXTWGEPZSA-N -1 3 297.420 2.352 20 10 CECDHM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cn[nH]c1 ZINC000273531991 373762303 /nfs/dbraw/zinc/76/23/03/373762303.db2.gz WMIBIIURXLJGQY-BDAKNGLRSA-N -1 3 276.296 2.435 20 10 CECDHM CC(C)(C)n1ncnc1CNCc1ccccc1[O-] ZINC000282606069 375528049 /nfs/dbraw/zinc/52/80/49/375528049.db2.gz HVPRMBGJCXZFQP-UHFFFAOYSA-N -1 3 260.341 2.029 20 10 CECDHM [O-]c1ccc(Br)cc1CN1CC2(C1)CCOC2 ZINC000294039424 377881744 /nfs/dbraw/zinc/88/17/44/377881744.db2.gz OTKSETPNVWVCCG-UHFFFAOYSA-N -1 3 298.180 2.377 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(CO)CC1 ZINC000294818752 378021528 /nfs/dbraw/zinc/02/15/28/378021528.db2.gz FYCAISGODUIWMH-UHFFFAOYSA-N -1 3 273.735 2.389 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2C[C@]2(C)OC(C)C)c([O-])c1O ZINC000529970181 380190062 /nfs/dbraw/zinc/19/00/62/380190062.db2.gz JQJLIDBSYOXJLL-ABAIWWIYSA-N -1 3 279.336 2.092 20 10 CECDHM CCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000109779847 394734951 /nfs/dbraw/zinc/73/49/51/394734951.db2.gz KIQLWBHHAYDZKA-UHFFFAOYSA-N -1 3 257.717 2.041 20 10 CECDHM CCCOC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000119529880 394768630 /nfs/dbraw/zinc/76/86/30/394768630.db2.gz XMRAXGOKWTXHOF-NSHDSACASA-N -1 3 251.326 2.166 20 10 CECDHM O=C([O-])CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000121042797 394790367 /nfs/dbraw/zinc/79/03/67/394790367.db2.gz RNAOGPLEJVTHRW-CQSZACIVSA-N -1 3 293.363 2.238 20 10 CECDHM O=C([O-])CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000121042797 394790372 /nfs/dbraw/zinc/79/03/72/394790372.db2.gz RNAOGPLEJVTHRW-CQSZACIVSA-N -1 3 293.363 2.238 20 10 CECDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000132477921 394931840 /nfs/dbraw/zinc/93/18/40/394931840.db2.gz RILUYMCRAZKUSL-VIFPVBQESA-N -1 3 286.169 2.375 20 10 CECDHM O=C1CCC[C@@H]1[C@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000373752176 395065061 /nfs/dbraw/zinc/06/50/61/395065061.db2.gz VQYBIOAJZRSSJX-ZIAGYGMSSA-N -1 3 293.338 2.101 20 10 CECDHM CO[C@@H]1Cc2ccccc2N(C(=O)c2cccc(O)c2[O-])C1 ZINC000374405300 395081531 /nfs/dbraw/zinc/08/15/31/395081531.db2.gz XMAXNVMFULWLHB-GFCCVEGCSA-N -1 3 299.326 2.316 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](O)C3(CC3)C2)c1[O-] ZINC000372297722 395038773 /nfs/dbraw/zinc/03/87/73/395038773.db2.gz VYRATXHZBRXDKL-ZDUSSCGKSA-N -1 3 295.766 2.205 20 10 CECDHM Cc1ccc(C(=O)NCCSC(F)(F)F)c([O-])c1O ZINC000182067584 395231287 /nfs/dbraw/zinc/23/12/87/395231287.db2.gz CHERIWXFLXCCLA-UHFFFAOYSA-N -1 3 295.282 2.389 20 10 CECDHM Cc1ccc(C(=O)NC[C@@]2(C)CCCS2)c([O-])c1O ZINC000182601514 395245651 /nfs/dbraw/zinc/24/56/51/395245651.db2.gz KTOBIQKWTQKNCX-CQSZACIVSA-N -1 3 281.377 2.422 20 10 CECDHM CC(C)N1CC[C@H](N[C@@H](C)c2ccc(F)cc2[O-])C1=O ZINC000186047851 262077375 /nfs/dbraw/zinc/07/73/75/262077375.db2.gz XHZZLJZVJIJIFI-GWCFXTLKSA-N -1 3 280.343 2.191 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCN([C@@H]2CCSC2)CC1 ZINC000368590333 262112017 /nfs/dbraw/zinc/11/20/17/262112017.db2.gz KOTLCYFEGHXFTQ-CQSZACIVSA-N -1 3 296.411 2.154 20 10 CECDHM O=C(c1cccc(O)c1[O-])N(Cc1ccncc1)C1CC1 ZINC000186998974 262121201 /nfs/dbraw/zinc/12/12/01/262121201.db2.gz SHNHYJGPIXEGEC-UHFFFAOYSA-N -1 3 284.315 2.298 20 10 CECDHM CC(C)N1CCN(Cc2c([O-])cccc2Cl)CC1=O ZINC000272540611 263006232 /nfs/dbraw/zinc/00/62/32/263006232.db2.gz PBFPEHYKFLQCKT-UHFFFAOYSA-N -1 3 282.771 2.098 20 10 CECDHM Cc1nnc([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000274277783 263022673 /nfs/dbraw/zinc/02/26/73/263022673.db2.gz YEJYTNZYQZQXEH-ZETCQYMHSA-N -1 3 293.348 2.057 20 10 CECDHM CC1(C)[C@H](NC(=O)c2cccc(O)c2[O-])[C@H]2CCCO[C@H]21 ZINC000370498573 267324369 /nfs/dbraw/zinc/32/43/69/267324369.db2.gz HQOCBVIREAQORZ-LERXQTSPSA-N -1 3 291.347 2.031 20 10 CECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nccs2)c1 ZINC000273379332 277160973 /nfs/dbraw/zinc/16/09/73/277160973.db2.gz HWBKCCHPXSWKFM-VIFPVBQESA-N -1 3 292.360 2.486 20 10 CECDHM CCCCN(Cc1ccccc1[O-])[C@H]1CCOC1=O ZINC000282492351 328242368 /nfs/dbraw/zinc/24/23/68/328242368.db2.gz PXJKIWRYBLMCID-ZDUSSCGKSA-N -1 3 263.337 2.310 20 10 CECDHM CC[C@@H](CO)N(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000293876437 327172299 /nfs/dbraw/zinc/17/22/99/327172299.db2.gz FISWPQCVGVDEKM-LBPRGKRZSA-N -1 3 285.771 2.451 20 10 CECDHM CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000369094249 328942817 /nfs/dbraw/zinc/94/28/17/328942817.db2.gz GZZTYOAJOXNKQT-OWYVNGRQSA-N -1 3 291.347 2.031 20 10 CECDHM COc1cc(Cl)cc(CN2CCCOCC2)c1[O-] ZINC000228630516 329346189 /nfs/dbraw/zinc/34/61/89/329346189.db2.gz FBTCDCNSPHZLOH-UHFFFAOYSA-N -1 3 271.744 2.277 20 10 CECDHM CCn1nncc1CNCc1c([O-])cc(C)cc1Cl ZINC000527729367 330277875 /nfs/dbraw/zinc/27/78/75/330277875.db2.gz OPTYMVGXGDFMJW-UHFFFAOYSA-N -1 3 280.759 2.255 20 10 CECDHM CC(=O)NCC1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000219487966 333151126 /nfs/dbraw/zinc/15/11/26/333151126.db2.gz WXYDVBWLZFSUTJ-UHFFFAOYSA-N -1 3 296.798 2.394 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)Cc2cnn(C)c2)c1[O-] ZINC000050152990 518284190 /nfs/dbraw/zinc/28/41/90/518284190.db2.gz JPBPUZRAFGSSAC-UHFFFAOYSA-N -1 3 291.326 2.099 20 10 CECDHM O=C([O-])N[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000740596919 574471648 /nfs/dbraw/zinc/47/16/48/574471648.db2.gz RGJDASNFIIHOAD-GFCCVEGCSA-N -1 3 286.331 2.387 20 10 CECDHM O=C([O-])N[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000740596919 574471649 /nfs/dbraw/zinc/47/16/49/574471649.db2.gz RGJDASNFIIHOAD-GFCCVEGCSA-N -1 3 286.331 2.387 20 10 CECDHM CN(CCCNC(=O)c1cc([O-])cs1)CC(F)(F)F ZINC000731870169 574604548 /nfs/dbraw/zinc/60/45/48/574604548.db2.gz RRSIIABGYLXNHU-UHFFFAOYSA-N -1 3 296.314 2.068 20 10 CECDHM CCc1nc(CCNC(=O)c2cc([O-])cs2)cs1 ZINC000732282929 574617961 /nfs/dbraw/zinc/61/79/61/574617961.db2.gz VGGNIAAYTKTIBZ-UHFFFAOYSA-N -1 3 282.390 2.445 20 10 CECDHM CN(CCc1ccccn1)C(=O)c1cc([O-])cs1 ZINC000732262256 574616196 /nfs/dbraw/zinc/61/61/96/574616196.db2.gz QTXSMEJOFFVCLP-UHFFFAOYSA-N -1 3 262.334 2.163 20 10 CECDHM O=C(Nc1ccc(-n2nccn2)cc1)c1cc([O-])cs1 ZINC000732270367 574616732 /nfs/dbraw/zinc/61/67/32/574616732.db2.gz PBMRNESBFUMOHC-UHFFFAOYSA-N -1 3 286.316 2.287 20 10 CECDHM CC(C)CCOCCNC(=O)c1cc([O-])cs1 ZINC000732278070 574617204 /nfs/dbraw/zinc/61/72/04/574617204.db2.gz DUYQEAHGDMFRAL-UHFFFAOYSA-N -1 3 257.355 2.246 20 10 CECDHM CC(C)C[C@H]1COCCN1C(=O)c1cc([O-])cs1 ZINC000733810032 574687354 /nfs/dbraw/zinc/68/73/54/574687354.db2.gz QLDOVQXJGRZCLA-JTQLQIEISA-N -1 3 269.366 2.341 20 10 CECDHM C[C@H]1SCCN(C(=O)c2cc([O-])cs2)[C@@H]1C ZINC000735703787 574764775 /nfs/dbraw/zinc/76/47/75/574764775.db2.gz LCPMQBCVHTZGOD-HTQZYQBOSA-N -1 3 257.380 2.420 20 10 CECDHM O=C([O-])[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000739582658 574927668 /nfs/dbraw/zinc/92/76/68/574927668.db2.gz HHSKTPIXUMLUSD-ZDUSSCGKSA-N -1 3 275.348 2.178 20 10 CECDHM O=C([O-])[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000739582658 574927670 /nfs/dbraw/zinc/92/76/70/574927670.db2.gz HHSKTPIXUMLUSD-ZDUSSCGKSA-N -1 3 275.348 2.178 20 10 CECDHM COC[C@@H](NC(=O)c1cc([O-])cs1)c1ccco1 ZINC000746697275 575163096 /nfs/dbraw/zinc/16/30/96/575163096.db2.gz PDAYMAICKDWTKH-SECBINFHSA-N -1 3 267.306 2.164 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000749296944 575212649 /nfs/dbraw/zinc/21/26/49/575212649.db2.gz IJEIFDSNLQICEB-WDEREUQCSA-N -1 3 281.377 2.342 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC([C@@H]2CCOC2)CC1 ZINC000753488977 575327609 /nfs/dbraw/zinc/32/76/09/575327609.db2.gz VNAKMZWBJDKHBI-LLVKDONJSA-N -1 3 281.377 2.342 20 10 CECDHM CCOc1ccc(C[N@H+](CC(=O)[O-])C(C)C)c([O-])c1 ZINC000820386986 598128277 /nfs/dbraw/zinc/12/82/77/598128277.db2.gz GMPCKUZWQMKQKK-UHFFFAOYSA-N -1 3 267.325 2.086 20 10 CECDHM CCOc1ccc(C[N@@H+](CC(=O)[O-])C(C)C)c([O-])c1 ZINC000820386986 598128280 /nfs/dbraw/zinc/12/82/80/598128280.db2.gz GMPCKUZWQMKQKK-UHFFFAOYSA-N -1 3 267.325 2.086 20 10 CECDHM CCOC(=O)[C@@H](C)NCc1cc(Cl)ccc1[O-] ZINC000049368179 623323521 /nfs/dbraw/zinc/32/35/21/623323521.db2.gz CAUBDNUZMVHARB-MRVPVSSYSA-N -1 3 257.717 2.087 20 10 CECDHM CCC(C)(C)OCCNC(=O)c1cccc(O)c1[O-] ZINC000308565981 627875013 /nfs/dbraw/zinc/87/50/13/627875013.db2.gz LRTNJQHHLFAVHP-UHFFFAOYSA-N -1 3 267.325 2.033 20 10 CECDHM CC(=O)c1cnc(NC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000182463608 628159461 /nfs/dbraw/zinc/15/94/61/628159461.db2.gz FTVHAXOZYKZUTK-UHFFFAOYSA-N -1 3 292.316 2.318 20 10 CECDHM [O-]c1c(CN2CC3(C2)CCOCC3)ccc(F)c1F ZINC000877581012 629203951 /nfs/dbraw/zinc/20/39/51/629203951.db2.gz KTTMSJPQZLTOLK-UHFFFAOYSA-N -1 3 269.291 2.283 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CCOCC2(CC2)C1 ZINC000894438000 629462626 /nfs/dbraw/zinc/46/26/26/629462626.db2.gz UIBBWIITYTWWQC-UHFFFAOYSA-N -1 3 269.291 2.283 20 10 CECDHM CCc1nn(C)c(NCc2c([O-])cccc2F)c1[N+](=O)[O-] ZINC000895833122 630370231 /nfs/dbraw/zinc/37/02/31/630370231.db2.gz UAUZDNSDPYNCIQ-UHFFFAOYSA-N -1 3 294.286 2.348 20 10 CECDHM CCc1c(C(=O)NCc2c([O-])cccc2F)ccn1C ZINC000928705271 631127787 /nfs/dbraw/zinc/12/77/87/631127787.db2.gz FONOAHOWCNPTSV-UHFFFAOYSA-N -1 3 276.311 2.362 20 10 CECDHM CC[C@H](SC)C(=O)NCc1c([O-])cccc1F ZINC000928706134 631128312 /nfs/dbraw/zinc/12/83/12/631128312.db2.gz RMVYQBNPKGPHOX-NSHDSACASA-N -1 3 257.330 2.289 20 10 CECDHM CCc1nc(C(=O)NCc2c([O-])cccc2F)c(C)o1 ZINC000928707713 631129180 /nfs/dbraw/zinc/12/91/80/631129180.db2.gz GYEWHLLOFIQUJU-UHFFFAOYSA-N -1 3 278.283 2.320 20 10 CECDHM C[C@@H]1CC(CCNC(=O)c2cccc(O)c2[O-])C[C@@H](C)O1 ZINC000802196938 631400361 /nfs/dbraw/zinc/40/03/61/631400361.db2.gz BOCCQQBIJSGUPN-GHMZBOCLSA-N -1 3 293.363 2.421 20 10 CECDHM Cc1cc([O-])c(CN2CC3(C2)CCNC(=O)O3)cc1Cl ZINC000897749363 631889827 /nfs/dbraw/zinc/88/98/27/631889827.db2.gz GGTUOUIHGGLPPH-UHFFFAOYSA-N -1 3 296.754 2.038 20 10 CECDHM O=C(C1CC1)[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000811501859 632392448 /nfs/dbraw/zinc/39/24/48/632392448.db2.gz ANKCHQKZRSDHCR-AWEZNQCLSA-N -1 3 295.766 2.226 20 10 CECDHM Cc1cc([O-])c(CN[C@@H](C)c2ncnn2C)cc1Cl ZINC000825671762 635691500 /nfs/dbraw/zinc/69/15/00/635691500.db2.gz OMQCBMLPWNOUHI-VIFPVBQESA-N -1 3 280.759 2.333 20 10 CECDHM Cc1cc([O-])c(CN2CCc3nn[nH]c3C2)cc1Cl ZINC000827877542 636450232 /nfs/dbraw/zinc/45/02/32/636450232.db2.gz OYLNCSHLAJPHPG-UHFFFAOYSA-N -1 3 278.743 2.030 20 10 CECDHM CO[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000837017844 639020144 /nfs/dbraw/zinc/02/01/44/639020144.db2.gz RXDVZMVIXVRNNX-QWHCGFSZSA-N -1 3 291.347 2.127 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCCS1 ZINC000921415868 641271020 /nfs/dbraw/zinc/27/10/20/641271020.db2.gz VTFUPPHAQNLVHN-VIFPVBQESA-N -1 3 284.356 2.226 20 10 CECDHM O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000848268066 641941766 /nfs/dbraw/zinc/94/17/66/641941766.db2.gz YPNHWDBSOOVLMY-KGLIPLIRSA-N -1 3 291.347 2.175 20 10 CECDHM C[C@@H](NCc1nnn(C(C)(C)C)n1)c1cc(F)ccc1[O-] ZINC000848561234 642054409 /nfs/dbraw/zinc/05/44/09/642054409.db2.gz RWASKKAHKRKZBJ-SECBINFHSA-N -1 3 293.346 2.124 20 10 CECDHM CC[C@@H](CSC)N(C)C(=O)c1cccc(O)c1[O-] ZINC000126523145 650728041 /nfs/dbraw/zinc/72/80/41/650728041.db2.gz BQNPDQPLCCDSCI-VIFPVBQESA-N -1 3 269.366 2.311 20 10 CECDHM COC(=O)[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])[C@@H]1C ZINC000877465849 650731610 /nfs/dbraw/zinc/73/16/10/650731610.db2.gz BWDSSCRGXJQJRZ-SCZZXKLOSA-N -1 3 285.290 2.054 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCc2ccc(O)cc2C1 ZINC000126574493 650776628 /nfs/dbraw/zinc/77/66/28/650776628.db2.gz JQAXGXCHLYUOBK-UHFFFAOYSA-N -1 3 285.299 2.002 20 10 CECDHM COc1cc(CNCc2cccc(Cl)c2[O-])on1 ZINC000877635469 650826412 /nfs/dbraw/zinc/82/64/12/650826412.db2.gz SMRVKQGBINVPMV-UHFFFAOYSA-N -1 3 268.700 2.332 20 10 CECDHM COCC[C@@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC000922868408 643304252 /nfs/dbraw/zinc/30/42/52/643304252.db2.gz QBYFMCHGPJRZIW-SNVBAGLBSA-N -1 3 284.331 2.003 20 10 CECDHM [O-]c1c(Br)cccc1CNCc1ccon1 ZINC000086452674 643337301 /nfs/dbraw/zinc/33/73/01/643337301.db2.gz KWEIDQKBAFXSSJ-UHFFFAOYSA-N -1 3 283.125 2.433 20 10 CECDHM COC1CC(CCNC(=O)NCc2c([O-])cccc2F)C1 ZINC000923170632 643585968 /nfs/dbraw/zinc/58/59/68/643585968.db2.gz PYHVZQXGQJKVRM-UHFFFAOYSA-N -1 3 296.342 2.146 20 10 CECDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000923445829 643714388 /nfs/dbraw/zinc/71/43/88/643714388.db2.gz FEUWLRNCKUBVRN-PUXPGTEJSA-N -1 3 296.342 2.142 20 10 CECDHM C[C@@]1(CCNC(=O)c2cccc(O)c2[O-])CC1(F)F ZINC000855806116 644491990 /nfs/dbraw/zinc/49/19/90/644491990.db2.gz HXOLTUUQVPGRLJ-GFCCVEGCSA-N -1 3 271.263 2.263 20 10 CECDHM CC1(C)[C@H](CNC(=O)c2cccc(O)c2[O-])C1(F)F ZINC000856067392 644557474 /nfs/dbraw/zinc/55/74/74/644557474.db2.gz BAEMEKNUZJGWJL-VIFPVBQESA-N -1 3 271.263 2.119 20 10 CECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cscn2)c1 ZINC000756508347 644657109 /nfs/dbraw/zinc/65/71/09/644657109.db2.gz IUFUNXRRJZTCRO-SECBINFHSA-N -1 3 292.360 2.486 20 10 CECDHM C[C@@H](N[C@H](C)c1cc(F)cc(F)c1[O-])c1nncn1C ZINC000756531716 644659719 /nfs/dbraw/zinc/65/97/19/644659719.db2.gz BKZSRBIOODAJTN-HTQZYQBOSA-N -1 3 282.294 2.211 20 10 CECDHM COc1ccc(O)c(CNC(=O)c2ccc(C)cc2[O-])c1 ZINC000114540831 644700677 /nfs/dbraw/zinc/70/06/77/644700677.db2.gz KXCRPYRFSSJNQE-UHFFFAOYSA-N -1 3 287.315 2.345 20 10 CECDHM CN(Cc1nnc2n1CCC2)Cc1c([O-])cccc1Cl ZINC000768223612 646098557 /nfs/dbraw/zinc/09/85/57/646098557.db2.gz JGLXBVUBWSXTQK-UHFFFAOYSA-N -1 3 292.770 2.215 20 10 CECDHM C[C@@H]1C[C@@H](O)CN1Cc1cccc(Br)c1[O-] ZINC000788269422 648167367 /nfs/dbraw/zinc/16/73/67/648167367.db2.gz NOUQDWOFXMRTLC-PSASIEDQSA-N -1 3 286.169 2.110 20 10 CECDHM CC(C)n1cc([C@@H](C)NC(=O)c2cccc(O)c2[O-])cn1 ZINC000790707401 648441315 /nfs/dbraw/zinc/44/13/15/648441315.db2.gz OCBHEJFIBFDVGS-SNVBAGLBSA-N -1 3 289.335 2.366 20 10 CECDHM Cc1noc2ncc(NC(=O)c3cccc(O)c3[O-])cc12 ZINC000790773636 648446896 /nfs/dbraw/zinc/44/68/96/648446896.db2.gz RUVPEXPOXRNINP-UHFFFAOYSA-N -1 3 285.259 2.195 20 10 CECDHM Cn1cnc2cc(NC(=O)c3cccc(O)c3[O-])ccc21 ZINC000790812887 648452666 /nfs/dbraw/zinc/45/26/66/648452666.db2.gz MGFISIKLJXJSNR-UHFFFAOYSA-N -1 3 283.287 2.237 20 10 CECDHM O=C(NC[C@H]1CCC12CCOCC2)c1cccc(O)c1[O-] ZINC000871585592 649109863 /nfs/dbraw/zinc/10/98/63/649109863.db2.gz PYAQCYIBYKVEOY-LLVKDONJSA-N -1 3 291.347 2.034 20 10 CECDHM C[C@H](NCc1cc(F)cc(F)c1[O-])c1nnc2n1CCC2 ZINC000882886532 652250073 /nfs/dbraw/zinc/25/00/73/652250073.db2.gz YTSWFEYOKCHQNW-QMMMGPOBSA-N -1 3 294.305 2.059 20 10 CECDHM CN(CC(=O)N1CCCC1)Cc1cc(Cl)ccc1[O-] ZINC000132700008 652547350 /nfs/dbraw/zinc/54/73/50/652547350.db2.gz IGCBDUMWKSREFT-UHFFFAOYSA-N -1 3 282.771 2.100 20 10 CECDHM CNC(=O)[C@H]1CCCCN1Cc1cc(Cl)ccc1[O-] ZINC000133039866 652587992 /nfs/dbraw/zinc/58/79/92/652587992.db2.gz CBNLYSPDFNLOFJ-GFCCVEGCSA-N -1 3 282.771 2.146 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](CCF)C1 ZINC000689823353 806556810 /nfs/dbraw/zinc/55/68/10/806556810.db2.gz VCOFSKDOCQSODQ-JTQLQIEISA-N -1 3 267.300 2.310 20 10 CECDHM O=C1CC[C@]2(CCCN(Cc3cc(F)c(F)cc3[O-])C2)O1 ZINC001142527105 806619218 /nfs/dbraw/zinc/61/92/18/806619218.db2.gz KTDQZGWNLZROCJ-HNNXBMFYSA-N -1 3 297.301 2.342 20 10 CECDHM C[C@@H]1CCCN(Cc2c([O-])cc(F)cc2F)[C@H]1CO ZINC001140582631 803178375 /nfs/dbraw/zinc/17/83/75/803178375.db2.gz KYJZTGISGSSQKK-RNCFNFMXSA-N -1 3 271.307 2.263 20 10 CECDHM O=C(NCC[C@@H]1CCCS1)c1cccc(O)c1[O-] ZINC000715971946 815011469 /nfs/dbraw/zinc/01/14/69/815011469.db2.gz GCYCKKPYYKNZJU-VIFPVBQESA-N -1 3 267.350 2.113 20 10 CECDHM COC(=O)[C@]1(C)CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139690095 804471512 /nfs/dbraw/zinc/47/15/12/804471512.db2.gz OKAOIAWXCRWDFP-CQSZACIVSA-N -1 3 285.290 2.055 20 10 CECDHM COC(=O)[C@H]1CN(Cc2c(F)ccc(F)c2[O-])CC12CC2 ZINC001139690404 804472054 /nfs/dbraw/zinc/47/20/54/804472054.db2.gz WGXGSXJDSWCKPZ-SNVBAGLBSA-N -1 3 297.301 2.055 20 10 CECDHM COC(=O)[C@@H]1CN(Cc2c(F)ccc(F)c2[O-])CC12CC2 ZINC001139690383 804472133 /nfs/dbraw/zinc/47/21/33/804472133.db2.gz WGXGSXJDSWCKPZ-JTQLQIEISA-N -1 3 297.301 2.055 20 10 CECDHM Cn1cnc2c1CN(Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232263332 807238865 /nfs/dbraw/zinc/23/88/65/807238865.db2.gz MYLANMCBSALKDQ-UHFFFAOYSA-N -1 3 293.754 2.043 20 10 CECDHM C[C@H]1CN(Cc2cc(F)cc(Cl)c2[O-])CC[C@@H]1O ZINC001237807373 808257564 /nfs/dbraw/zinc/25/75/64/808257564.db2.gz IDTNNXQFMQPQFY-UFBFGSQYSA-N -1 3 273.735 2.387 20 10 CECDHM [O-]c1c(CN2CCC[C@@H]3COC[C@@H]32)ccc(F)c1F ZINC000703619578 809671622 /nfs/dbraw/zinc/67/16/22/809671622.db2.gz SVOVVUNCJNBJQT-PWSUYJOCSA-N -1 3 269.291 2.281 20 10 CECDHM O=C(NC[C@H]1CCCC12CC2)c1cccc(O)c1[O-] ZINC000706288006 809816317 /nfs/dbraw/zinc/81/63/17/809816317.db2.gz FZWPLRGCAFOEIG-SNVBAGLBSA-N -1 3 261.321 2.408 20 10 CECDHM Cc1cc(CNCc2cc(F)cc(F)c2[O-])n(C)n1 ZINC000708517439 809944720 /nfs/dbraw/zinc/94/47/20/809944720.db2.gz OZVAFSTVPYDJGV-UHFFFAOYSA-N -1 3 267.279 2.002 20 10 CECDHM C[C@]1(F)CCCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148211888 814536448 /nfs/dbraw/zinc/53/64/48/814536448.db2.gz BAVXBRHLCUXJLK-AWEZNQCLSA-N -1 3 267.300 2.452 20 10 CECDHM O=C(Nc1ccc2oncc2c1)c1cccc(O)c1[O-] ZINC001148219206 814538761 /nfs/dbraw/zinc/53/87/61/814538761.db2.gz WYEXBUOTFZHOLJ-UHFFFAOYSA-N -1 3 270.244 2.491 20 10 CECDHM O=C(Nc1cnc2occc2c1)c1cc(O)c([O-])c(O)c1 ZINC001148583115 814592436 /nfs/dbraw/zinc/59/24/36/814592436.db2.gz UEPKZYSMZUXNFX-UHFFFAOYSA-N -1 3 286.243 2.197 20 10 CECDHM CC(=O)c1cc(C(=O)NCc2ccccc2O)ccc1[O-] ZINC001148668445 814604178 /nfs/dbraw/zinc/60/41/78/814604178.db2.gz DNSPXCMTLWYTKE-UHFFFAOYSA-N -1 3 285.299 2.230 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CC2(C1)CCCO2 ZINC001140338154 816234771 /nfs/dbraw/zinc/23/47/71/816234771.db2.gz XPVHZQMIGXDNET-UHFFFAOYSA-N -1 3 253.729 2.410 20 10 CECDHM CCN(Cc1c([O-])cccc1Cl)C1CN(C)C1 ZINC001140341800 816238442 /nfs/dbraw/zinc/23/84/42/816238442.db2.gz HWHFKVBQNRUOBW-UHFFFAOYSA-N -1 3 254.761 2.182 20 10 CECDHM C[C@@]1(O)CCN(Cc2c([O-])cccc2Cl)C[C@@H]1F ZINC001140337773 816238685 /nfs/dbraw/zinc/23/86/85/816238685.db2.gz DNUFOWZBCSTUBQ-QWHCGFSZSA-N -1 3 273.735 2.340 20 10 CECDHM CO[C@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@H]1F ZINC001140461070 816258567 /nfs/dbraw/zinc/25/85/67/816258567.db2.gz DEVBWHNTBPMROQ-JQWIXIFHSA-N -1 3 259.708 2.214 20 10 CECDHM COC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1[O-] ZINC001140461128 816258958 /nfs/dbraw/zinc/25/89/58/816258958.db2.gz DTIPAEBAVJAAMT-LLVKDONJSA-N -1 3 269.728 2.183 20 10 CECDHM C[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C[C@]1(C)O ZINC001140583087 816291169 /nfs/dbraw/zinc/29/11/69/816291169.db2.gz VZBAJBXGVQRYKH-OTYXRUKQSA-N -1 3 271.307 2.263 20 10 CECDHM COC[C@@H]1CCCN1Cc1c([O-])cc(F)cc1F ZINC001140583066 816291397 /nfs/dbraw/zinc/29/13/97/816291397.db2.gz VGOXXOYOMGUMBJ-JTQLQIEISA-N -1 3 257.280 2.281 20 10 CECDHM COC(=O)[C@@]1(C)CCCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583553 816293169 /nfs/dbraw/zinc/29/31/69/816293169.db2.gz LGQZAPLJSWIGRX-HNNXBMFYSA-N -1 3 299.317 2.446 20 10 CECDHM C[C@H](NCc1cnnn1C)c1cc(Cl)ccc1[O-] ZINC000287264985 376191250 /nfs/dbraw/zinc/19/12/50/376191250.db2.gz IRRZEAATYVYKHG-QMMMGPOBSA-N -1 3 266.732 2.025 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000245724962 370864950 /nfs/dbraw/zinc/86/49/50/370864950.db2.gz DRFJROCLRRZGKU-HUUCEWRRSA-N -1 3 297.782 2.425 20 10 CECDHM CCOC(=O)CN(Cc1ccccc1[O-])C(C)C ZINC000179949620 368359522 /nfs/dbraw/zinc/35/95/22/368359522.db2.gz CBMKGNKTYRTIEM-UHFFFAOYSA-N -1 3 251.326 2.166 20 10 CECDHM Cc1nc(CCNC(=O)c2cccc(O)c2[O-])sc1C ZINC000193135830 369896951 /nfs/dbraw/zinc/89/69/51/369896951.db2.gz FCLZKOVEGSEPSC-UHFFFAOYSA-N -1 3 292.360 2.144 20 10 CECDHM CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C1(C)C ZINC000193131154 369897167 /nfs/dbraw/zinc/89/71/67/369897167.db2.gz MNALCRXRBAJENH-WBMJQRKESA-N -1 3 293.363 2.373 20 10 CECDHM CS[C@@H]1CCCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193142866 369899159 /nfs/dbraw/zinc/89/91/59/369899159.db2.gz SIBHAISNVYIGIQ-SNVBAGLBSA-N -1 3 281.377 2.456 20 10 CECDHM Cc1nc(CCNC(=O)c2ccc(C)c(O)c2[O-])cs1 ZINC000267549724 372076785 /nfs/dbraw/zinc/07/67/85/372076785.db2.gz CMFLKEAXPNRQCE-UHFFFAOYSA-N -1 3 292.360 2.144 20 10 CECDHM [O-]c1ccc(Br)cc1CN1CCO[C@@H]2C[C@@H]21 ZINC000366521486 373079851 /nfs/dbraw/zinc/07/98/51/373079851.db2.gz MDLIHZJRLRCNHX-CMPLNLGQSA-N -1 3 284.153 2.128 20 10 CECDHM Cc1ccc(C(=O)N[C@H]2CCOC3(CCC3)C2)c([O-])c1O ZINC000272731174 373633886 /nfs/dbraw/zinc/63/38/86/373633886.db2.gz KBCUMBYUWISBSZ-NSHDSACASA-N -1 3 291.347 2.238 20 10 CECDHM Cc1ccc(C(=O)N[C@H](C)[C@H]2CCCCO2)c([O-])c1O ZINC000272890640 373696420 /nfs/dbraw/zinc/69/64/20/373696420.db2.gz ARECRYSGVTWLHF-ZYHUDNBSSA-N -1 3 279.336 2.094 20 10 CECDHM CO[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])[C@H](C)C1 ZINC000281842518 375397196 /nfs/dbraw/zinc/39/71/96/375397196.db2.gz SYRPJWNFRKFOSR-MNOVXSKESA-N -1 3 279.336 2.046 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1c1cc[nH]n1 ZINC000286073004 375847778 /nfs/dbraw/zinc/84/77/78/375847778.db2.gz RZDWRYZIZFGQPQ-GFCCVEGCSA-N -1 3 287.319 2.188 20 10 CECDHM CN(Cc1coc(S(C)(=O)=O)c1)Cc1ccccc1[O-] ZINC000528415701 379964132 /nfs/dbraw/zinc/96/41/32/379964132.db2.gz GENCMWPFOJIUKE-UHFFFAOYSA-N -1 3 295.360 2.021 20 10 CECDHM NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc(F)c1[O-] ZINC000360675807 394805459 /nfs/dbraw/zinc/80/54/59/394805459.db2.gz XSDGJQLBDWUUJK-HONMWMINSA-N -1 3 292.354 2.150 20 10 CECDHM CN(C)C(=O)[C@H]1CCCN1Cc1c([O-])cccc1Cl ZINC000122696496 394816341 /nfs/dbraw/zinc/81/63/41/394816341.db2.gz FAUNYSQYESKHJU-GFCCVEGCSA-N -1 3 282.771 2.098 20 10 CECDHM CCNC(=O)CN(CC)Cc1c([O-])cccc1Cl ZINC000133619268 394954252 /nfs/dbraw/zinc/95/42/52/394954252.db2.gz JUIKWALCOARIEU-UHFFFAOYSA-N -1 3 270.760 2.004 20 10 CECDHM [O-]c1ccccc1CNCc1nccn1C(F)F ZINC000134229943 394957099 /nfs/dbraw/zinc/95/70/99/394957099.db2.gz SJRQVUDLVVIJGE-UHFFFAOYSA-N -1 3 253.252 2.274 20 10 CECDHM O=C(N[C@H]1C[C@@H](CO)c2ccccc21)c1cccc(O)c1[O-] ZINC000372697700 395045162 /nfs/dbraw/zinc/04/51/62/395045162.db2.gz VCIJPDWQNMEANP-HZMBPMFUSA-N -1 3 299.326 2.049 20 10 CECDHM CC(C)N(C)C(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000177676281 395154211 /nfs/dbraw/zinc/15/42/11/395154211.db2.gz RHZVYSYXWARPKK-LBPRGKRZSA-N -1 3 264.369 2.079 20 10 CECDHM CC(C)OC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000179582665 395196533 /nfs/dbraw/zinc/19/65/33/395196533.db2.gz AZSYBAHNTZHIHR-NSHDSACASA-N -1 3 251.326 2.164 20 10 CECDHM CC(=O)N1CCN(Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000183460972 395257810 /nfs/dbraw/zinc/25/78/10/395257810.db2.gz IZYDBWVRJVPUAE-UHFFFAOYSA-N -1 3 282.771 2.018 20 10 CECDHM O=C(N[C@H]1CCOc2ccccc21)c1cccc(O)c1[O-] ZINC000126381610 260349868 /nfs/dbraw/zinc/34/98/68/260349868.db2.gz HNKMRATYYVMMDL-LBPRGKRZSA-N -1 3 285.299 2.351 20 10 CECDHM COc1cc(Cl)cc(CN(C)Cc2cnn(C)c2)c1[O-] ZINC000184675122 262026111 /nfs/dbraw/zinc/02/61/11/262026111.db2.gz PAIDOELJTCCJSA-UHFFFAOYSA-N -1 3 295.770 2.420 20 10 CECDHM CC(C)Cc1nnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC000186854984 262326217 /nfs/dbraw/zinc/32/62/17/262326217.db2.gz GBROOOIMPXNJAF-UHFFFAOYSA-N -1 3 293.348 2.400 20 10 CECDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@H]1[C@H]1CCCO1 ZINC000290610084 263117780 /nfs/dbraw/zinc/11/77/80/263117780.db2.gz NTKWZBJYSXVORL-OCCSQVGLSA-N -1 3 291.347 2.127 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](C)[C@H]2CO)c1[O-] ZINC000189698698 264322596 /nfs/dbraw/zinc/32/25/96/264322596.db2.gz VBZBHVZEULKVDE-LKFCYVNXSA-N -1 3 297.782 2.451 20 10 CECDHM CC[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1O ZINC000294148586 265000869 /nfs/dbraw/zinc/00/08/69/265000869.db2.gz HWRJLWMOYKWSPW-OQPBUACISA-N -1 3 273.735 2.387 20 10 CECDHM C[C@@]1(CNC(=O)c2cccc(O)c2[O-])CCO[C@H]1C1CC1 ZINC000370497086 267324295 /nfs/dbraw/zinc/32/42/95/267324295.db2.gz AGYDRXSWERKPNB-HOCLYGCPSA-N -1 3 291.347 2.033 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C(C)C)C2COC2)c1[O-] ZINC000295449325 278244233 /nfs/dbraw/zinc/24/42/33/278244233.db2.gz PIWLCUYWDJMTJD-UHFFFAOYSA-N -1 3 281.327 2.343 20 10 CECDHM COC(=O)CN(Cc1cccc(F)c1[O-])C1CCCC1 ZINC000272279138 328199349 /nfs/dbraw/zinc/19/93/49/328199349.db2.gz MORCTWFOPWHAFB-UHFFFAOYSA-N -1 3 281.327 2.449 20 10 CECDHM Cc1ccc(C(=O)NC2(C3CC3)CCOCC2)c([O-])c1O ZINC000375101019 329000537 /nfs/dbraw/zinc/00/05/37/329000537.db2.gz QULNDYNXXRILJN-UHFFFAOYSA-N -1 3 291.347 2.095 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)C2(CO)CCC2)c1[O-] ZINC000292085273 518284823 /nfs/dbraw/zinc/28/48/23/518284823.db2.gz GEUUWJGIZKRLEK-UHFFFAOYSA-N -1 3 281.327 2.081 20 10 CECDHM CCCOc1ccc(CN2CCO[C@H](COC)C2)c([O-])c1 ZINC000093529177 520351735 /nfs/dbraw/zinc/35/17/35/520351735.db2.gz KNCDDASYDMEMDB-HNNXBMFYSA-N -1 3 295.379 2.028 20 10 CECDHM Cc1ccc(C(=O)N(C(C)C)[C@H]2CCOC2)c([O-])c1O ZINC000292825992 526053147 /nfs/dbraw/zinc/05/31/47/526053147.db2.gz MIZIOHQQXVZHPC-NSHDSACASA-N -1 3 279.336 2.046 20 10 CECDHM [O-]c1ccc(F)cc1CN1CC(O)(c2ccccc2)C1 ZINC000291587325 526347196 /nfs/dbraw/zinc/34/71/96/526347196.db2.gz PMQFNAINLSZKIL-UHFFFAOYSA-N -1 3 273.307 2.235 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC([C@H]2CCCO2)CC1 ZINC000276364415 526771118 /nfs/dbraw/zinc/77/11/18/526771118.db2.gz ZLPOIEALNZJSPL-CQSZACIVSA-N -1 3 291.347 2.129 20 10 CECDHM [O-]c1cccc(Cl)c1CN[C@@H]1C=C[C@H](CO)C1 ZINC000129685159 527611956 /nfs/dbraw/zinc/61/19/56/527611956.db2.gz JTSFTGZBROPMEF-VHSXEESVSA-N -1 3 253.729 2.072 20 10 CECDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N1CCCCCC1 ZINC000731910875 574605643 /nfs/dbraw/zinc/60/56/43/574605643.db2.gz VORMGHLMNHBUDZ-SNVBAGLBSA-N -1 3 297.376 2.402 20 10 CECDHM O=C(NC[C@@H](O)C1CCCCC1)c1cc([O-])cs1 ZINC000732284825 574618074 /nfs/dbraw/zinc/61/80/74/574618074.db2.gz DDBZVDOBAPDMBQ-LLVKDONJSA-N -1 3 269.366 2.125 20 10 CECDHM C[C@@H](Cc1ccco1)NC(=O)c1cc([O-])cs1 ZINC000732271679 574616966 /nfs/dbraw/zinc/61/69/66/574616966.db2.gz OJCYFKOWMRTDER-QMMMGPOBSA-N -1 3 251.307 2.408 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC(n2cccn2)CC1 ZINC000732272907 574617020 /nfs/dbraw/zinc/61/70/20/574617020.db2.gz RUYBDJLAJNVXKH-UHFFFAOYSA-N -1 3 277.349 2.128 20 10 CECDHM O=C(Nc1ccc2c(c1)OCC(=O)N2)c1cc([O-])cs1 ZINC000732274585 574617283 /nfs/dbraw/zinc/61/72/83/574617283.db2.gz WCTXJYFQOQYSMM-UHFFFAOYSA-N -1 3 290.300 2.037 20 10 CECDHM O=C(NCCn1cnc2ccccc21)c1cc([O-])cs1 ZINC000732276414 574617387 /nfs/dbraw/zinc/61/73/87/574617387.db2.gz JGJFKHAIESGTEE-UHFFFAOYSA-N -1 3 287.344 2.233 20 10 CECDHM O=C(OCCOC(=O)c1ccccc1)c1cc([O-])cs1 ZINC000732353871 574619439 /nfs/dbraw/zinc/61/94/39/574619439.db2.gz CBGQPPGURDDDSR-UHFFFAOYSA-N -1 3 292.312 2.468 20 10 CECDHM CC(C)C[C@H](CNC(=O)[O-])NCc1ccc2c(c1)CCO2 ZINC000738813034 574770383 /nfs/dbraw/zinc/77/03/83/574770383.db2.gz WQHDSEBSJXNVIO-CQSZACIVSA-N -1 3 292.379 2.393 20 10 CECDHM CCCC[C@@H](COC)NC(=O)c1cc([O-])cs1 ZINC000736694871 574794860 /nfs/dbraw/zinc/79/48/60/574794860.db2.gz IXFGBBDAGQSJSJ-VIFPVBQESA-N -1 3 257.355 2.389 20 10 CECDHM C[C@@](O)(CNC(=O)c1cc([O-])cs1)c1ccsc1 ZINC000740937562 574971713 /nfs/dbraw/zinc/97/17/13/574971713.db2.gz OLWXCZLHPNLDGH-GFCCVEGCSA-N -1 3 283.374 2.153 20 10 CECDHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000743677965 575108354 /nfs/dbraw/zinc/10/83/54/575108354.db2.gz YLUOFRKBSOOKLJ-MRVPVSSYSA-N -1 3 293.392 2.165 20 10 CECDHM COc1ccc(C)nc1NC(=O)c1cc([O-])cs1 ZINC000746710426 575163211 /nfs/dbraw/zinc/16/32/11/575163211.db2.gz QMBURENOOREMLD-UHFFFAOYSA-N -1 3 264.306 2.418 20 10 CECDHM C[C@@H]1C[C@@H](CCNC(=O)c2cc([O-])cs2)CCO1 ZINC000753507920 575328298 /nfs/dbraw/zinc/32/82/98/575328298.db2.gz QKOYZSWSSLWGAU-ZJUUUORDSA-N -1 3 269.366 2.389 20 10 CECDHM CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000820387661 598132501 /nfs/dbraw/zinc/13/25/01/598132501.db2.gz WGJQDJBNWXHBEL-ZDUSSCGKSA-N -1 3 279.336 2.230 20 10 CECDHM CCOc1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000820387661 598132502 /nfs/dbraw/zinc/13/25/02/598132502.db2.gz WGJQDJBNWXHBEL-ZDUSSCGKSA-N -1 3 279.336 2.230 20 10 CECDHM CN1CCCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760265 622932636 /nfs/dbraw/zinc/93/26/36/622932636.db2.gz MOBAGGDORMHEAK-GFCCVEGCSA-N -1 3 282.771 2.146 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CCC(O)(C(F)F)CC1 ZINC000894501338 629502566 /nfs/dbraw/zinc/50/25/66/629502566.db2.gz WXDOLDOCQFRLMN-UHFFFAOYSA-N -1 3 293.260 2.262 20 10 CECDHM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1cc(Cl)ccc1[O-] ZINC000895113779 629914447 /nfs/dbraw/zinc/91/44/47/629914447.db2.gz KDCPPPUASINNGI-LPEHRKFASA-N -1 3 282.771 2.143 20 10 CECDHM CC1=NO[C@H](CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000895304682 630091081 /nfs/dbraw/zinc/09/10/81/630091081.db2.gz PGGOLANSLNPBRS-QMMMGPOBSA-N -1 3 272.707 2.439 20 10 CECDHM CC1=NO[C@@H](CNCc2c([O-])ccc(Cl)c2F)C1 ZINC000895304679 630091383 /nfs/dbraw/zinc/09/13/83/630091383.db2.gz PGGOLANSLNPBRS-MRVPVSSYSA-N -1 3 272.707 2.439 20 10 CECDHM CC(C)(C)c1nc(N)nc(NCc2c([O-])cccc2F)n1 ZINC000895832180 630370129 /nfs/dbraw/zinc/37/01/29/630370129.db2.gz DGDZTZXMQRHUAS-UHFFFAOYSA-N -1 3 291.330 2.208 20 10 CECDHM CO[C@H]1CN(Cc2c([O-])cc(C)cc2Cl)CCO1 ZINC000895962794 630415318 /nfs/dbraw/zinc/41/53/18/630415318.db2.gz KPOZDNZNLSGVRN-CYBMUJFWSA-N -1 3 271.744 2.159 20 10 CECDHM CO[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC000895964883 630420910 /nfs/dbraw/zinc/42/09/10/630420910.db2.gz ZLKKUHQWEYNQKC-CYBMUJFWSA-N -1 3 271.744 2.159 20 10 CECDHM Cn1ncc(Cl)c1CNCc1c([O-])cccc1F ZINC000896638624 630621589 /nfs/dbraw/zinc/62/15/89/630621589.db2.gz WQTBMPQCYZGSNT-UHFFFAOYSA-N -1 3 269.707 2.208 20 10 CECDHM CC(=O)N1CCN(Cc2cc(Cl)c(C)cc2[O-])[C@@H](C)C1 ZINC000824831669 635506353 /nfs/dbraw/zinc/50/63/53/635506353.db2.gz WJHGNJQSRQKGQX-NSHDSACASA-N -1 3 296.798 2.407 20 10 CECDHM CCn1cnc2c1CCN(Cc1cc(F)ccc1[O-])C2 ZINC000897334239 631134733 /nfs/dbraw/zinc/13/47/33/631134733.db2.gz PPFABQXQJIDWDG-UHFFFAOYSA-N -1 3 275.327 2.306 20 10 CECDHM Cc1cc(CNCc2cccc(Cl)c2[O-])nn1C ZINC000898218321 632093085 /nfs/dbraw/zinc/09/30/85/632093085.db2.gz DQRNHEBKJLFIJK-UHFFFAOYSA-N -1 3 265.744 2.377 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@H](O)[C@@H](F)C2)c(Cl)c1 ZINC000898187914 632100945 /nfs/dbraw/zinc/10/09/45/632100945.db2.gz JGYUBWLXTUJALV-RYUDHWBXSA-N -1 3 273.735 2.259 20 10 CECDHM CCN1CCN(Cc2ccc3ccccc3c2[O-])CC1=O ZINC000816569640 633414742 /nfs/dbraw/zinc/41/47/42/633414742.db2.gz SCKYTNINPQCNNV-UHFFFAOYSA-N -1 3 284.359 2.210 20 10 CECDHM [O-]c1c(CN2CCn3ncnc3C2)ccc2ccccc21 ZINC000816571508 633415304 /nfs/dbraw/zinc/41/53/04/633415304.db2.gz GTVXLAPMNDPWAN-UHFFFAOYSA-N -1 3 280.331 2.153 20 10 CECDHM C[C@@H]1CN(Cc2ccc3ccccc3c2[O-])CC(=O)N1C ZINC000816600231 633420983 /nfs/dbraw/zinc/42/09/83/633420983.db2.gz PQQOMWCDTOPFDR-GFCCVEGCSA-N -1 3 284.359 2.208 20 10 CECDHM O=c1ccnc(C=Cc2ccc(N3CCC(O)CC3)cc2)[n-]1 ZINC000905072406 635812602 /nfs/dbraw/zinc/81/26/02/635812602.db2.gz DSGRTCBAMZIHLK-UTCJRWHESA-N -1 3 297.358 2.314 20 10 CECDHM O=C([O-])N1CCC[C@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC000834106607 637759428 /nfs/dbraw/zinc/75/94/28/637759428.db2.gz LOZJFKSIKYDALI-LBPRGKRZSA-N -1 3 264.325 2.014 20 10 CECDHM CC(C)OC1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000834580892 637878385 /nfs/dbraw/zinc/87/83/85/637878385.db2.gz QCHGIKOFJSXAHB-UHFFFAOYSA-N -1 3 279.336 2.175 20 10 CECDHM CC(C)[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000913861457 640145887 /nfs/dbraw/zinc/14/58/87/640145887.db2.gz ZTHHRGISGLZXKW-VIFPVBQESA-N -1 3 254.305 2.375 20 10 CECDHM CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000843041149 640247595 /nfs/dbraw/zinc/24/75/95/640247595.db2.gz OZNHDSIJQCEQCB-FZMZJTMJSA-N -1 3 293.363 2.334 20 10 CECDHM CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000843041149 640247601 /nfs/dbraw/zinc/24/76/01/640247601.db2.gz OZNHDSIJQCEQCB-FZMZJTMJSA-N -1 3 293.363 2.334 20 10 CECDHM O=C1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCN1 ZINC000915808273 640617828 /nfs/dbraw/zinc/61/78/28/640617828.db2.gz AQECYLCKTHTPQO-UHFFFAOYSA-N -1 3 296.326 2.223 20 10 CECDHM Cc1csc([C@H](C)NC(=O)c2cccc(O)c2[O-])n1 ZINC000126441712 650661084 /nfs/dbraw/zinc/66/10/84/650661084.db2.gz YZALYFMBXGBIDW-QMMMGPOBSA-N -1 3 278.333 2.354 20 10 CECDHM C[C@@]1(CNC(=O)c2cccc(O)c2[O-])CCCS1 ZINC000126492106 650695778 /nfs/dbraw/zinc/69/57/78/650695778.db2.gz XGCHQXWFLQDZME-ZDUSSCGKSA-N -1 3 267.350 2.113 20 10 CECDHM CN(C)c1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000849231111 642290605 /nfs/dbraw/zinc/29/06/05/642290605.db2.gz URPDMDHYMWSHII-INIZCTEOSA-N -1 3 299.374 2.453 20 10 CECDHM CC1(NCc2c([O-])cccc2Br)COC1 ZINC000877691306 650852586 /nfs/dbraw/zinc/85/25/86/650852586.db2.gz MKKRZCNKJLVYBN-UHFFFAOYSA-N -1 3 272.142 2.033 20 10 CECDHM C[C@@H](NCc1cn(C)nn1)c1cc(Cl)ccc1[O-] ZINC000757655174 644831947 /nfs/dbraw/zinc/83/19/47/644831947.db2.gz HZQUPEJNUDUGPH-MRVPVSSYSA-N -1 3 266.732 2.025 20 10 CECDHM O=c1ccnc(C=Cc2ccc(N3CCOCC3)cc2)[n-]1 ZINC000764434380 645639374 /nfs/dbraw/zinc/63/93/74/645639374.db2.gz JPAACBZQRSQEDJ-UTCJRWHESA-N -1 3 283.331 2.189 20 10 CECDHM [O-]c1cccc(Cl)c1CNc1nc2ncccn2n1 ZINC000775174282 646928104 /nfs/dbraw/zinc/92/81/04/646928104.db2.gz ZDXYILZPWCNNLP-UHFFFAOYSA-N -1 3 275.699 2.095 20 10 CECDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775651123 646976058 /nfs/dbraw/zinc/97/60/58/646976058.db2.gz ZXMCCACVZSIEIQ-MRVPVSSYSA-N -1 3 287.718 2.180 20 10 CECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(C)C ZINC000121234779 647897022 /nfs/dbraw/zinc/89/70/22/647897022.db2.gz IPXUHVZWMBMUJB-UHFFFAOYSA-N -1 3 271.744 2.429 20 10 CECDHM CSc1cc(CNC(=O)c2cccc(O)c2[O-])ccn1 ZINC000790912085 648460309 /nfs/dbraw/zinc/46/03/09/648460309.db2.gz NKPNAPRFTVVPPG-UHFFFAOYSA-N -1 3 290.344 2.145 20 10 CECDHM CCCN(CC(=O)N(C)C)Cc1c([O-])cccc1Cl ZINC000133664036 652700105 /nfs/dbraw/zinc/70/01/05/652700105.db2.gz CKBXHNSPTAWMMD-UHFFFAOYSA-N -1 3 284.787 2.346 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@]12CCOC2 ZINC001142527103 806619558 /nfs/dbraw/zinc/61/95/58/806619558.db2.gz KSZWBZPSPQXJAV-AWEZNQCLSA-N -1 3 269.291 2.425 20 10 CECDHM C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])C2(CC2)C1 ZINC001231565754 807174180 /nfs/dbraw/zinc/17/41/80/807174180.db2.gz BIPVNXDYAGWGJC-JTQLQIEISA-N -1 3 261.321 2.465 20 10 CECDHM C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])C2(CC2)C1 ZINC001231565754 807174185 /nfs/dbraw/zinc/17/41/85/807174185.db2.gz BIPVNXDYAGWGJC-JTQLQIEISA-N -1 3 261.321 2.465 20 10 CECDHM [O-]c1ccc(F)c(Cl)c1CN1CCC[C@H](O)C1 ZINC001237121118 808194118 /nfs/dbraw/zinc/19/41/18/808194118.db2.gz KBSQDKBOGSWNTC-QMMMGPOBSA-N -1 3 259.708 2.141 20 10 CECDHM Cc1cccc([O-])c1C(=O)NCc1ccc(O)c(O)c1 ZINC001137443580 813056346 /nfs/dbraw/zinc/05/63/46/813056346.db2.gz VBNLTKZAVYJUCX-UHFFFAOYSA-N -1 3 273.288 2.042 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[C@H](O)C2)c1[O-] ZINC000388201524 813231215 /nfs/dbraw/zinc/23/12/15/813231215.db2.gz SETBJLIDWUZGBW-ISVAXAHUSA-N -1 3 283.755 2.061 20 10 CECDHM Cc1nnc([C@H](C)NCc2cccc(Cl)c2[O-])[nH]1 ZINC000392460658 813304709 /nfs/dbraw/zinc/30/47/09/813304709.db2.gz KVPXJKGKLDMBEB-ZETCQYMHSA-N -1 3 266.732 2.323 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCc2cccc(O)c2C1 ZINC001148218652 814537737 /nfs/dbraw/zinc/53/77/37/814537737.db2.gz JSMSTVXLLUKMPJ-UHFFFAOYSA-N -1 3 285.299 2.002 20 10 CECDHM CN1CCN(Cc2c([O-])cccc2F)Cc2cccnc21 ZINC001137835995 815692031 /nfs/dbraw/zinc/69/20/31/815692031.db2.gz RYYZGKMOCRJIHR-UHFFFAOYSA-N -1 3 287.338 2.378 20 10 CECDHM COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1cccc(F)c1[O-] ZINC001138131299 815736641 /nfs/dbraw/zinc/73/66/41/815736641.db2.gz VEEVCJGPLVKKGJ-SUZMYJTESA-N -1 3 279.311 2.057 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CC[C@H]2OCC[C@H]21 ZINC001139681799 816079910 /nfs/dbraw/zinc/07/99/10/816079910.db2.gz YOGBDMXEURWSBD-VXGBXAGGSA-N -1 3 255.264 2.034 20 10 CECDHM CN(Cc1c(F)ccc(F)c1[O-])[C@H]1CCCOC1 ZINC001139690694 816084885 /nfs/dbraw/zinc/08/48/85/816084885.db2.gz ZRVVSINFTZRPJK-VIFPVBQESA-N -1 3 257.280 2.281 20 10 CECDHM [O-]c1cccc(Cl)c1CN1Cc2cncnc2C1 ZINC001140338036 816237604 /nfs/dbraw/zinc/23/76/04/816237604.db2.gz SBGAFCFMQQURCF-UHFFFAOYSA-N -1 3 261.712 2.351 20 10 CECDHM COC(=O)[C@@H](C)N(C)Cc1ccc(Cl)cc1[O-] ZINC001140466640 816262794 /nfs/dbraw/zinc/26/27/94/816262794.db2.gz IZUPWQOXYSULQG-MRVPVSSYSA-N -1 3 257.717 2.039 20 10 CECDHM C[C@@H]1CC[C@H](CO)CN1Cc1c([O-])cc(F)cc1F ZINC001140582067 816291562 /nfs/dbraw/zinc/29/15/62/816291562.db2.gz BDSCGPRTSVUOQL-ZJUUUORDSA-N -1 3 271.307 2.263 20 10 CECDHM CCN(CCn1ccnc1)Cc1c([O-])cc(F)cc1F ZINC001140585408 816295242 /nfs/dbraw/zinc/29/52/42/816295242.db2.gz IKSMLHRGRPNPMD-UHFFFAOYSA-N -1 3 281.306 2.389 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H]2OCC[C@H]21 ZINC001142512505 816676678 /nfs/dbraw/zinc/67/66/78/816676678.db2.gz BGYLXTYDGZBCSK-DGCLKSJQSA-N -1 3 255.264 2.034 20 10 CECDHM O=C(/C=C/c1cncc(F)c1)NCc1c([O-])cccc1F ZINC001178416976 816743086 /nfs/dbraw/zinc/74/30/86/816743086.db2.gz SHICLDSTTFFBCN-SNAWJCMRSA-N -1 3 290.269 2.395 20 10 CECDHM CCCN1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000160194966 344457894 /nfs/dbraw/zinc/45/78/94/344457894.db2.gz MEBFIIFDLSKHAD-UHFFFAOYSA-N -1 3 252.333 2.059 20 10 CECDHM CCC(=O)N1CC[C@@H](NCc2c([O-])cccc2Cl)C1 ZINC000134524159 366334447 /nfs/dbraw/zinc/33/44/47/366334447.db2.gz HVCMJEOBTPHTFO-SNVBAGLBSA-N -1 3 282.771 2.146 20 10 CECDHM CC[C@H](C)NC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000171937409 367642954 /nfs/dbraw/zinc/64/29/54/367642954.db2.gz YDLASLMHDCAUCL-NWDGAFQWSA-N -1 3 264.369 2.127 20 10 CECDHM COCCN(Cc1cc(F)ccc1[O-])CC(F)F ZINC000180057928 368366566 /nfs/dbraw/zinc/36/65/66/368366566.db2.gz ALNHZJPHJGHHLI-UHFFFAOYSA-N -1 3 263.259 2.245 20 10 CECDHM C[C@H](NCC1(C)OCCO1)c1ccc(F)c(F)c1[O-] ZINC000187813382 369228413 /nfs/dbraw/zinc/22/84/13/369228413.db2.gz VCQYJYAMSXUKQT-QMMMGPOBSA-N -1 3 273.279 2.084 20 10 CECDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])CC2(CCOCC2)O1 ZINC000366732925 373115658 /nfs/dbraw/zinc/11/56/58/373115658.db2.gz YIYCFMMUBYVGCB-LBPRGKRZSA-N -1 3 295.354 2.301 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H]2CCOC[C@@H]21 ZINC000366495797 373070390 /nfs/dbraw/zinc/07/03/90/373070390.db2.gz HLQVSQIXWPTQQA-GXTWGEPZSA-N -1 3 283.755 2.035 20 10 CECDHM Cn1cnnc1C1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000272241895 373379517 /nfs/dbraw/zinc/37/95/17/373379517.db2.gz GSFOMNXUZGCXCQ-UHFFFAOYSA-N -1 3 290.342 2.039 20 10 CECDHM C[C@H](NCc1nncn1C)c1cc(Cl)ccc1[O-] ZINC000273407671 373755632 /nfs/dbraw/zinc/75/56/32/373755632.db2.gz OYAAPHKCTXPDCG-QMMMGPOBSA-N -1 3 266.732 2.025 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC2(CCOCC2)CC1 ZINC000285834359 375843474 /nfs/dbraw/zinc/84/34/74/375843474.db2.gz YXRKLJRKNUCKME-UHFFFAOYSA-N -1 3 291.347 2.131 20 10 CECDHM CN(C)C(=O)[C@@H]1CCCN1Cc1c([O-])cccc1Cl ZINC000122696292 394816234 /nfs/dbraw/zinc/81/62/34/394816234.db2.gz FAUNYSQYESKHJU-LBPRGKRZSA-N -1 3 282.771 2.098 20 10 CECDHM CCN(CCC(=O)OC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000175612465 395133348 /nfs/dbraw/zinc/13/33/48/395133348.db2.gz LGZFVRYORBBAPN-UHFFFAOYSA-N -1 3 297.326 2.119 20 10 CECDHM CCCCCN1CC(=O)N[C@@H]1c1cc(OC)ccc1[O-] ZINC000182325212 395239597 /nfs/dbraw/zinc/23/95/97/395239597.db2.gz MXZPXFHJESYTHI-HNNXBMFYSA-N -1 3 278.352 2.021 20 10 CECDHM Cc1ccc(C(=O)N2CCS[C@@H](C)[C@H]2C)c([O-])c1O ZINC000179507740 395195248 /nfs/dbraw/zinc/19/52/48/395195248.db2.gz XSMIGBGJZGJTLL-ZJUUUORDSA-N -1 3 281.377 2.372 20 10 CECDHM C[C@@H](NCc1nnc2n1CCCC2)c1cc(F)ccc1[O-] ZINC000183867662 395265358 /nfs/dbraw/zinc/26/53/58/395265358.db2.gz UYVWTTCYQKHDOB-SNVBAGLBSA-N -1 3 290.342 2.310 20 10 CECDHM CCCCOCCCNC(=O)c1cccc(O)c1[O-] ZINC000126548175 260353965 /nfs/dbraw/zinc/35/39/65/260353965.db2.gz LBCXMIBTJNFWRG-UHFFFAOYSA-N -1 3 267.325 2.034 20 10 CECDHM CCN(C)C(=O)CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000185183960 262045362 /nfs/dbraw/zinc/04/53/62/262045362.db2.gz JWOKNLGHKKNLLM-UHFFFAOYSA-N -1 3 291.178 2.267 20 10 CECDHM CC(C)C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000280408290 263061366 /nfs/dbraw/zinc/06/13/66/263061366.db2.gz HQDXGCHUOTUOAI-OCCSQVGLSA-N -1 3 293.363 2.421 20 10 CECDHM Cc1ccc(C(=O)N2C[C@H]3CCCC[C@H]32)c([O-])c1O ZINC000367838252 267120975 /nfs/dbraw/zinc/12/09/75/267120975.db2.gz BVQVAEIHIRHFBD-ZYHUDNBSSA-N -1 3 261.321 2.421 20 10 CECDHM C[C@]1(CNC(=O)c2cccc(O)c2[O-])CCO[C@@H]1C1CC1 ZINC000370497084 267323977 /nfs/dbraw/zinc/32/39/77/267323977.db2.gz AGYDRXSWERKPNB-GDBMZVCRSA-N -1 3 291.347 2.033 20 10 CECDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@H]1C1CC1 ZINC000291102858 278324427 /nfs/dbraw/zinc/32/44/27/278324427.db2.gz LWRYOWSDLNBPCR-ZDUSSCGKSA-N -1 3 261.321 2.358 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCOC[C@H]1[C@H]1CCCO1 ZINC000377709674 329026433 /nfs/dbraw/zinc/02/64/33/329026433.db2.gz ZGDGDKWTMBQIAX-DZGCQCFKSA-N -1 3 297.782 2.425 20 10 CECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1COc2ccccc21 ZINC000187204753 329355073 /nfs/dbraw/zinc/35/50/73/329355073.db2.gz HZGMMZHBCORZFP-MFKMUULPSA-N -1 3 299.326 2.392 20 10 CECDHM CCCOc1ccc(CN[C@H](C(=O)OC)C2CC2)c([O-])c1 ZINC000276408348 520371494 /nfs/dbraw/zinc/37/14/94/520371494.db2.gz DZWNXRRQCJMVME-HNNXBMFYSA-N -1 3 293.363 2.222 20 10 CECDHM COC1(CNC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC000280438318 522627250 /nfs/dbraw/zinc/62/72/50/522627250.db2.gz KCAVQCZXUNZVBG-UHFFFAOYSA-N -1 3 279.336 2.177 20 10 CECDHM Cc1ccc(CNCc2c([O-])cccc2Cl)c(=O)n1C ZINC000278766921 524583931 /nfs/dbraw/zinc/58/39/31/524583931.db2.gz OIKZWSSKSOKFFM-UHFFFAOYSA-N -1 3 292.766 2.343 20 10 CECDHM C[C@@H](NCC1(C)OCCCO1)c1ccc(F)c(F)c1[O-] ZINC000277221954 525419851 /nfs/dbraw/zinc/41/98/51/525419851.db2.gz LGYYXQJEVXHFDX-SECBINFHSA-N -1 3 287.306 2.474 20 10 CECDHM CSCC[C@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000126566505 525563031 /nfs/dbraw/zinc/56/30/31/525563031.db2.gz VZIDXPCSVOHZKO-VIFPVBQESA-N -1 3 269.366 2.311 20 10 CECDHM Cc1ccc(C(=O)N2CCCC[C@@H]2C[C@@H](C)O)c([O-])c1O ZINC000279860426 526091967 /nfs/dbraw/zinc/09/19/67/526091967.db2.gz SHXMHXYEAIPWJF-VXGBXAGGSA-N -1 3 293.363 2.172 20 10 CECDHM O=C(COC(=O)c1cc([O-])cs1)Nc1ccccc1 ZINC000731909254 574605711 /nfs/dbraw/zinc/60/57/11/574605711.db2.gz DWFOQLIWKFGQOU-UHFFFAOYSA-N -1 3 277.301 2.249 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000732285065 574618151 /nfs/dbraw/zinc/61/81/51/574618151.db2.gz PLOIYHZBTGHMMB-SECBINFHSA-N -1 3 277.349 2.197 20 10 CECDHM Cc1nc(CCNC(=O)c2cc([O-])cs2)cs1 ZINC000732266324 574616500 /nfs/dbraw/zinc/61/65/00/574616500.db2.gz XTLRZEZNEPPGDQ-UHFFFAOYSA-N -1 3 268.363 2.191 20 10 CECDHM C[C@H](COCC(F)(F)F)NC(=O)c1cc([O-])cs1 ZINC000732280038 574617484 /nfs/dbraw/zinc/61/74/84/574617484.db2.gz SLZJGABQFWLFKE-ZCFIWIBFSA-N -1 3 283.271 2.151 20 10 CECDHM Cc1cc(C(=O)COC(=O)c2cc([O-])cs2)c(C)n1C ZINC000732353419 574619579 /nfs/dbraw/zinc/61/95/79/574619579.db2.gz HPRBRZQIBDQJDK-UHFFFAOYSA-N -1 3 293.344 2.449 20 10 CECDHM Cc1ccc(O)c(CNCc2ccc(C(=O)[O-])o2)c1 ZINC000738637136 574871818 /nfs/dbraw/zinc/87/18/18/574871818.db2.gz VEWRMWBCTVTRTQ-UHFFFAOYSA-N -1 3 261.277 2.282 20 10 CECDHM COCC[C@@H](Cc1ccco1)NC(=O)c1cc([O-])cs1 ZINC000753473957 575327166 /nfs/dbraw/zinc/32/71/66/575327166.db2.gz DYHMMUASEJIVGB-JTQLQIEISA-N -1 3 295.360 2.424 20 10 CECDHM COc1cccc([O-])c1C[NH2+]Cc1cccc(C(=O)[O-])c1 ZINC000820871023 598194239 /nfs/dbraw/zinc/19/42/39/598194239.db2.gz LLGZONCMPAUETP-UHFFFAOYSA-N -1 3 287.315 2.389 20 10 CECDHM O=C([O-])C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236426359 598211922 /nfs/dbraw/zinc/21/19/22/598211922.db2.gz GQEFUXDQJGAKBX-SNVBAGLBSA-N -1 3 267.300 2.218 20 10 CECDHM O=C([O-])C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000236426359 598211923 /nfs/dbraw/zinc/21/19/23/598211923.db2.gz GQEFUXDQJGAKBX-SNVBAGLBSA-N -1 3 267.300 2.218 20 10 CECDHM CCN(CCC[NH2+][C@@H](C)c1ccccc1[O-])C(=O)[O-] ZINC000833858040 606037841 /nfs/dbraw/zinc/03/78/41/606037841.db2.gz RZWYKYRKZDOEOO-NSHDSACASA-N -1 3 266.341 2.433 20 10 CECDHM Cc1nnc([C@@H](C)NCc2cc(Cl)cc(F)c2[O-])[nH]1 ZINC000894771977 629627295 /nfs/dbraw/zinc/62/72/95/629627295.db2.gz CLDPKSPJQDJODN-ZCFIWIBFSA-N -1 3 284.722 2.462 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CC2(C1)CCCOC2 ZINC000894975493 629777175 /nfs/dbraw/zinc/77/71/75/629777175.db2.gz APNSQCYWGQIFED-UHFFFAOYSA-N -1 3 269.291 2.283 20 10 CECDHM CCN1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](C)C1 ZINC000796314507 629841270 /nfs/dbraw/zinc/84/12/70/629841270.db2.gz GEJWCZHNSPFXSE-LLVKDONJSA-N -1 3 294.370 2.260 20 10 CECDHM COc1cc(CNCc2c([O-])cccc2F)sn1 ZINC000896637156 630620819 /nfs/dbraw/zinc/62/08/19/630620819.db2.gz IEZDMFOZBCXXNQ-UHFFFAOYSA-N -1 3 268.313 2.286 20 10 CECDHM CC(C)Cn1ccc(C(=O)NCc2c([O-])cccc2F)n1 ZINC000928712171 631130522 /nfs/dbraw/zinc/13/05/22/631130522.db2.gz ZUSXZCVMZNULMW-UHFFFAOYSA-N -1 3 291.326 2.314 20 10 CECDHM [O-]c1ccc2ccncc2c1CN1CCO[C@H](C(F)F)C1 ZINC000800852684 631149406 /nfs/dbraw/zinc/14/94/06/631149406.db2.gz LRYYFWMRHRAPAJ-AWEZNQCLSA-N -1 3 294.301 2.406 20 10 CECDHM O=C(C1CC1)[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000811502323 632392412 /nfs/dbraw/zinc/39/24/12/632392412.db2.gz PXJNVIMMGMYPNE-AWEZNQCLSA-N -1 3 295.766 2.226 20 10 CECDHM [O-]c1c(CN2CCn3cnnc3C2)ccc2ccccc21 ZINC000816506315 633402892 /nfs/dbraw/zinc/40/28/92/633402892.db2.gz YAWNHHSGPOTCQA-UHFFFAOYSA-N -1 3 280.331 2.153 20 10 CECDHM C[C@H](NCc1cnc2n1CCOC2)c1c([O-])cccc1F ZINC000903421480 635122811 /nfs/dbraw/zinc/12/28/11/635122811.db2.gz UMGQOOGYNJYGLV-JTQLQIEISA-N -1 3 291.326 2.109 20 10 CECDHM [O-]c1c(F)cccc1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826510933 635775211 /nfs/dbraw/zinc/77/52/11/635775211.db2.gz SNLJCLCEEKXKNP-UHFFFAOYSA-N -1 3 299.309 2.001 20 10 CECDHM CCn1cc(CNCc2cc(Cl)c(F)cc2[O-])nn1 ZINC000827087674 636209836 /nfs/dbraw/zinc/20/98/36/636209836.db2.gz RLOFRXPHEZAUHQ-UHFFFAOYSA-N -1 3 284.722 2.086 20 10 CECDHM CC1(NC(=S)NCc2c([O-])cccc2F)CCC1 ZINC000905661770 636369898 /nfs/dbraw/zinc/36/98/98/636369898.db2.gz REXYHEMKJQGRKD-UHFFFAOYSA-N -1 3 268.357 2.438 20 10 CECDHM C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CCS1 ZINC000834656752 637908797 /nfs/dbraw/zinc/90/87/97/637908797.db2.gz YKCKMIBKQCTXIV-RKDXNWHRSA-N -1 3 267.350 2.112 20 10 CECDHM CO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000837017842 639019827 /nfs/dbraw/zinc/01/98/27/639019827.db2.gz RXDVZMVIXVRNNX-CHWSQXEVSA-N -1 3 291.347 2.127 20 10 CECDHM Cc1cc([O-])c(CN2CCO[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000840937553 639592984 /nfs/dbraw/zinc/59/29/84/639592984.db2.gz JPXVWWIIGSDIRW-HNNXBMFYSA-N -1 3 297.782 2.345 20 10 CECDHM CC(C)[C@H]1CN(C)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877180539 650613643 /nfs/dbraw/zinc/61/36/43/650613643.db2.gz ZEWLRNZZGMWVGP-CYBMUJFWSA-N -1 3 284.350 2.442 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NCC1CCSCC1 ZINC000918529251 640969877 /nfs/dbraw/zinc/96/98/77/640969877.db2.gz FBSMRQWMOAMVPC-UHFFFAOYSA-N -1 3 298.383 2.474 20 10 CECDHM C[C@H](C[C@H]1CCOC1)NC(=O)NCc1c([O-])cccc1F ZINC000921450677 641283907 /nfs/dbraw/zinc/28/39/07/641283907.db2.gz CNEPZBKAAXQEGQ-GHMZBOCLSA-N -1 3 296.342 2.146 20 10 CECDHM CCOC(=O)CN(Cc1cc(F)ccc1[O-])C1CC1 ZINC000179939781 641395148 /nfs/dbraw/zinc/39/51/48/641395148.db2.gz PBXHGBHSVHBCRX-UHFFFAOYSA-N -1 3 267.300 2.059 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](OC2CCC2)C1 ZINC000848301762 641957623 /nfs/dbraw/zinc/95/76/23/641957623.db2.gz DUVVLFCPVIFGTF-GFCCVEGCSA-N -1 3 291.347 2.272 20 10 CECDHM C[C@@H]1[C@H](C)N(Cc2ccc(F)c(F)c2[O-])CCN1C ZINC000877409262 650710621 /nfs/dbraw/zinc/71/06/21/650710621.db2.gz ONXPVPDQPZDQQE-ZJUUUORDSA-N -1 3 270.323 2.195 20 10 CECDHM Cc1noc(CN(C)Cc2c([O-])ccc3ccncc32)n1 ZINC000848503951 642016829 /nfs/dbraw/zinc/01/68/29/642016829.db2.gz WHSDIODSMXOVCL-UHFFFAOYSA-N -1 3 284.319 2.264 20 10 CECDHM CN(Cc1cnc[nH]1)Cc1ccc(F)c(F)c1[O-] ZINC000877620519 650816799 /nfs/dbraw/zinc/81/67/99/650816799.db2.gz SSUOMCIPOHLNMN-UHFFFAOYSA-N -1 3 253.252 2.026 20 10 CECDHM C[C@]1(CNC(=O)NCc2c([O-])cccc2F)CC1(F)F ZINC000923291448 643638368 /nfs/dbraw/zinc/63/83/68/643638368.db2.gz SMSMDLOIRUYVQI-GFCCVEGCSA-N -1 3 288.269 2.376 20 10 CECDHM O=C(NCC[C@@H]1CC1(Cl)Cl)c1cccc(O)c1[O-] ZINC000857380607 644898840 /nfs/dbraw/zinc/89/88/40/644898840.db2.gz IAPHEYDWGQGZJX-SSDOTTSWSA-N -1 3 290.146 2.412 20 10 CECDHM CN(Cc1ccccc1O)C(=O)Cc1ccc([O-])c(F)c1 ZINC000857466807 644908473 /nfs/dbraw/zinc/90/84/73/644908473.db2.gz HXOYWMZIBNNDFE-UHFFFAOYSA-N -1 3 289.306 2.438 20 10 CECDHM CCn1cc([C@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000765617398 645792670 /nfs/dbraw/zinc/79/26/70/645792670.db2.gz ASAGEAIFRIGJKO-JTQLQIEISA-N -1 3 290.323 2.368 20 10 CECDHM CC[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1O ZINC000775744005 646986648 /nfs/dbraw/zinc/98/66/48/646986648.db2.gz IUZGPEAUTYMTSY-PRHODGIISA-N -1 3 273.735 2.387 20 10 CECDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc2c(c1)COC2 ZINC000776746284 647086661 /nfs/dbraw/zinc/08/66/61/647086661.db2.gz VAWIXKAVUJXPGC-UHFFFAOYSA-N -1 3 291.328 2.223 20 10 CECDHM N=C1Nc2nc3ccccc3n2[C@H](c2cccc(F)c2[O-])N1 ZINC000778519872 647238777 /nfs/dbraw/zinc/23/87/77/647238777.db2.gz LWMJEAKKOOTDRB-CYBMUJFWSA-N -1 3 297.293 2.378 20 10 CECDHM Cc1nc(C)c(NC(=O)c2cccc(O)c2[O-])s1 ZINC000779644081 647336208 /nfs/dbraw/zinc/33/62/08/647336208.db2.gz SFLMCVDZJQHRFR-UHFFFAOYSA-N -1 3 264.306 2.423 20 10 CECDHM CC[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@@H]1O ZINC000792173176 648619610 /nfs/dbraw/zinc/61/96/10/648619610.db2.gz TXCRVBIOMXSEJI-UFBFGSQYSA-N -1 3 273.735 2.387 20 10 CECDHM CC[C@@H](NCc1nonc1C)c1ccc(F)cc1[O-] ZINC000872137806 649288976 /nfs/dbraw/zinc/28/89/76/649288976.db2.gz WTTLFBBUSHPNTG-LLVKDONJSA-N -1 3 265.288 2.464 20 10 CECDHM CCC[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])C1CC1 ZINC000873640907 649716745 /nfs/dbraw/zinc/71/67/45/649716745.db2.gz LHYPSPZJLYWUPR-CQSZACIVSA-N -1 3 263.337 2.467 20 10 CECDHM CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])C1CC1 ZINC000873640907 649716748 /nfs/dbraw/zinc/71/67/48/649716748.db2.gz LHYPSPZJLYWUPR-CQSZACIVSA-N -1 3 263.337 2.467 20 10 CECDHM CC1(O)CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142508767 806609423 /nfs/dbraw/zinc/60/94/23/806609423.db2.gz KRCBXZAKQOOOLB-UHFFFAOYSA-N -1 3 257.280 2.017 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCOC[C@H]1c1cccnc1 ZINC001140060521 802551525 /nfs/dbraw/zinc/55/15/25/802551525.db2.gz ZVYPJRJTADIPNG-HNNXBMFYSA-N -1 3 288.322 2.500 20 10 CECDHM Cn1cc2c(n1)CCN(Cc1c([O-])cccc1Cl)C2 ZINC001140341467 802840036 /nfs/dbraw/zinc/84/00/36/802840036.db2.gz PNDCYMKPUWCGBE-UHFFFAOYSA-N -1 3 277.755 2.337 20 10 CECDHM CCN(CC(=O)OC)Cc1ccc(Cl)cc1[O-] ZINC001140468331 802964265 /nfs/dbraw/zinc/96/42/65/802964265.db2.gz GIMGBJQEUXULFA-UHFFFAOYSA-N -1 3 257.717 2.041 20 10 CECDHM C[C@@H]1C[C@H](O)CCN1Cc1c([O-])ccc(F)c1F ZINC001233335288 807396294 /nfs/dbraw/zinc/39/62/94/807396294.db2.gz ORMFHPHWGZBUEX-RKDXNWHRSA-N -1 3 257.280 2.016 20 10 CECDHM O=C(Nc1cccc2c1CCO2)c1cccc(O)c1[O-] ZINC000690233833 807397656 /nfs/dbraw/zinc/39/76/56/807397656.db2.gz ZPCFPHRHHIYEHK-UHFFFAOYSA-N -1 3 271.272 2.285 20 10 CECDHM CCN1CCN(Cc2ccc(F)c(F)c2[O-])C[C@H]1C ZINC000703488890 809652531 /nfs/dbraw/zinc/65/25/31/809652531.db2.gz BTUNLBKSNOAUGH-SNVBAGLBSA-N -1 3 270.323 2.196 20 10 CECDHM COC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703586556 809666749 /nfs/dbraw/zinc/66/67/49/809666749.db2.gz RNNWUWALFLUGQO-UHFFFAOYSA-N -1 3 257.280 2.281 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@@H](O)CC[C@H]2C)c1[O-] ZINC000399380158 813710312 /nfs/dbraw/zinc/71/03/12/813710312.db2.gz WHZCRXPGFYUQLV-RNCFNFMXSA-N -1 3 281.327 2.079 20 10 CECDHM O=C(NCCC1=CCCCC1)c1cc(O)c([O-])c(O)c1 ZINC001148589916 814592130 /nfs/dbraw/zinc/59/21/30/814592130.db2.gz QKIDJXZFOBDXQA-UHFFFAOYSA-N -1 3 277.320 2.424 20 10 CECDHM C[C@@H]1CCCN(Cc2c([O-])c(F)ccc2F)[C@@H]1CO ZINC001139683443 814731215 /nfs/dbraw/zinc/73/12/15/814731215.db2.gz CYUIYRBIQSIBIR-NOZJJQNGSA-N -1 3 271.307 2.263 20 10 CECDHM CC(=O)[C@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC001138129465 815733126 /nfs/dbraw/zinc/73/31/26/815733126.db2.gz FEDDLTYPCDDDJC-CYBMUJFWSA-N -1 3 251.301 2.475 20 10 CECDHM COc1ccc(CNC(=O)c2c(C)cccc2[O-])c(O)c1 ZINC001139032541 815948223 /nfs/dbraw/zinc/94/82/23/815948223.db2.gz NAQMWZKDFXCVRV-UHFFFAOYSA-N -1 3 287.315 2.345 20 10 CECDHM C[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCC1=O ZINC001140461332 816258379 /nfs/dbraw/zinc/25/83/79/816258379.db2.gz IBVZFDXCSHXRTD-VIFPVBQESA-N -1 3 253.729 2.457 20 10 CECDHM O=C(C1CC1)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140467002 816261982 /nfs/dbraw/zinc/26/19/82/816261982.db2.gz PSLBONFBWWCWFS-UHFFFAOYSA-N -1 3 294.782 2.100 20 10 CECDHM C[C@@H]1CN(C)[C@@H](C)CN1Cc1c([O-])cc(F)cc1F ZINC001140580831 816291022 /nfs/dbraw/zinc/29/10/22/816291022.db2.gz HQHMFOMDRDMKKL-VHSXEESVSA-N -1 3 270.323 2.195 20 10 CECDHM C[C@]1(O)CCCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583870 816293961 /nfs/dbraw/zinc/29/39/61/816293961.db2.gz WSWJTIQQEPPDGL-ZDUSSCGKSA-N -1 3 257.280 2.017 20 10 CECDHM CN(Cc1c([O-])cc(F)cc1F)[C@H]1CCCOC1 ZINC001140585262 816294974 /nfs/dbraw/zinc/29/49/74/816294974.db2.gz BXQQRQOJXJMHQV-JTQLQIEISA-N -1 3 257.280 2.281 20 10 CECDHM CCNC(=O)[C@H](C)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000036795149 361859561 /nfs/dbraw/zinc/85/95/61/361859561.db2.gz WIBOBQZNISJXFX-ZETCQYMHSA-N -1 3 291.178 2.313 20 10 CECDHM Cc1ccc([C@H](C)N[C@H](C)c2nncn2C)c([O-])c1 ZINC000037016331 361882989 /nfs/dbraw/zinc/88/29/89/361882989.db2.gz XQLGGOPIOYJTTG-WDEREUQCSA-N -1 3 260.341 2.241 20 10 CECDHM [O-]c1c(F)cccc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000160208431 366982221 /nfs/dbraw/zinc/98/22/21/366982221.db2.gz PTEMWAWBWAPTRI-STQMWFEESA-N -1 3 251.301 2.285 20 10 CECDHM [O-]c1c(F)cccc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000160208591 366982839 /nfs/dbraw/zinc/98/28/39/366982839.db2.gz PTEMWAWBWAPTRI-QWHCGFSZSA-N -1 3 251.301 2.285 20 10 CECDHM Cc1ccc(C(=O)N[C@H]2CCC[C@@H]3OCC[C@@H]32)c([O-])c1O ZINC000182617207 368572067 /nfs/dbraw/zinc/57/20/67/368572067.db2.gz LYLPIHOEKSFHSY-WXHSDQCUSA-N -1 3 291.347 2.094 20 10 CECDHM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(F)ccc1[O-] ZINC000191674260 369732750 /nfs/dbraw/zinc/73/27/50/369732750.db2.gz MHPRNXJMKIWPBL-YVLXSGLVSA-N -1 3 293.338 2.305 20 10 CECDHM COC(C)(C)C[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000193096412 369891865 /nfs/dbraw/zinc/89/18/65/369891865.db2.gz HSXCDDMJLZEXSH-VIFPVBQESA-N -1 3 267.325 2.031 20 10 CECDHM COC(=O)[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000271097750 373117515 /nfs/dbraw/zinc/11/75/15/373117515.db2.gz NQMNYWJIXHAOIP-SECBINFHSA-N -1 3 269.728 2.041 20 10 CECDHM CC[C@H]1CO[C@@H](C)CN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272751954 373642080 /nfs/dbraw/zinc/64/20/80/373642080.db2.gz OKXXILFZTPUCTP-QWRGUYRKSA-N -1 3 279.336 2.046 20 10 CECDHM CC(C)c1nnc2n1CCN(Cc1ccccc1[O-])C2 ZINC000371537138 373914560 /nfs/dbraw/zinc/91/45/60/373914560.db2.gz WZNLQUFURRAXAH-UHFFFAOYSA-N -1 3 272.352 2.123 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCO[C@@H](CC(=O)OC)C1 ZINC000372568305 374159880 /nfs/dbraw/zinc/15/98/80/374159880.db2.gz HLPFVWWIOBYCES-GXTWGEPZSA-N -1 3 293.363 2.107 20 10 CECDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)CC[S@@](=O)C1 ZINC000277362005 374492612 /nfs/dbraw/zinc/49/26/12/374492612.db2.gz FHFZDAFSIHIBNN-XTZNXHDOSA-N -1 3 287.812 2.246 20 10 CECDHM CO[C@H]1C[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000285450451 375838918 /nfs/dbraw/zinc/83/89/18/375838918.db2.gz SNZVVZRPDVSUDX-BETUJISGSA-N -1 3 281.327 2.343 20 10 CECDHM CC[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000285957141 375845880 /nfs/dbraw/zinc/84/58/80/375845880.db2.gz FIZMGABQIJXNLV-KGLIPLIRSA-N -1 3 293.342 2.039 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1c1ncc[nH]1 ZINC000187049132 296253760 /nfs/dbraw/zinc/25/37/60/296253760.db2.gz WKLFDXDGLCCBEG-NSHDSACASA-N -1 3 287.319 2.188 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CC2(C1)CCOC2 ZINC000293962785 377850715 /nfs/dbraw/zinc/85/07/15/377850715.db2.gz JQMZNCSUXDFIFM-UHFFFAOYSA-N -1 3 271.719 2.407 20 10 CECDHM Cc1cccc(N(C)C(=O)/C=C\c2cncc([O-])c2)n1 ZINC000493467834 381007345 /nfs/dbraw/zinc/00/73/45/381007345.db2.gz UITDOQFEJGRLEA-SREVYHEPSA-N -1 3 269.304 2.167 20 10 CECDHM CN(CC(=O)N(C)Cc1ccccc1)Cc1ccccc1[O-] ZINC000109770821 394735209 /nfs/dbraw/zinc/73/52/09/394735209.db2.gz XDPLWIMGYFYBRA-UHFFFAOYSA-N -1 3 298.386 2.483 20 10 CECDHM CN(Cc1nc(C2CC2)no1)Cc1ccccc1[O-] ZINC000109770364 394735261 /nfs/dbraw/zinc/73/52/61/394735261.db2.gz HBHAMRALIHTGBW-UHFFFAOYSA-N -1 3 259.309 2.285 20 10 CECDHM CCCOC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000119529761 394768560 /nfs/dbraw/zinc/76/85/60/394768560.db2.gz XMRAXGOKWTXHOF-LLVKDONJSA-N -1 3 251.326 2.166 20 10 CECDHM C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000365676777 394930575 /nfs/dbraw/zinc/93/05/75/394930575.db2.gz OMSCJFPKLBGOAP-OTYXRUKQSA-N -1 3 285.299 2.350 20 10 CECDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000373634444 395063783 /nfs/dbraw/zinc/06/37/83/395063783.db2.gz FAWQULBBIYKYFV-LRDDRELGSA-N -1 3 295.354 2.301 20 10 CECDHM CCCCCN1CC(=O)N[C@H]1c1cc(F)ccc1[O-] ZINC000182317598 395239217 /nfs/dbraw/zinc/23/92/17/395239217.db2.gz HRFRGRRUKMJOPY-CQSZACIVSA-N -1 3 266.316 2.152 20 10 CECDHM Cc1ccc(C(=O)NCC(C)(C)[C@H](O)C(C)C)c([O-])c1O ZINC000182899981 395250117 /nfs/dbraw/zinc/25/01/17/395250117.db2.gz TXDJASFXCIIBGB-CQSZACIVSA-N -1 3 295.379 2.179 20 10 CECDHM CO[C@]1(C)C[C@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000185778385 262069897 /nfs/dbraw/zinc/06/98/97/262069897.db2.gz RPWXRIDWDSBCER-XHDPSFHLSA-N -1 3 279.336 2.031 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ccncc1 ZINC000186847441 262112923 /nfs/dbraw/zinc/11/29/23/262112923.db2.gz KNTFHGNONHDVGQ-CYBMUJFWSA-N -1 3 284.315 2.470 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000367681117 267108614 /nfs/dbraw/zinc/10/86/14/267108614.db2.gz CNRQHKBJZHCBQU-UXIGCNINSA-N -1 3 293.363 2.106 20 10 CECDHM CCc1nnc(CNCc2cc(F)ccc2[O-])s1 ZINC000290766094 327532790 /nfs/dbraw/zinc/53/27/90/327532790.db2.gz BVUKLUMWHJNTMY-UHFFFAOYSA-N -1 3 267.329 2.235 20 10 CECDHM [O-]c1ccc(F)cc1CNc1cnccc1-n1ccnn1 ZINC000377703885 329026105 /nfs/dbraw/zinc/02/61/05/329026105.db2.gz WOMWSRJKSFBBDQ-UHFFFAOYSA-N -1 3 285.282 2.119 20 10 CECDHM Cc1c(/C=C\C(=O)N2CCCc3cccc([O-])c32)cnn1C ZINC000492374121 332394688 /nfs/dbraw/zinc/39/46/88/332394688.db2.gz AOXPXQBXSAMSSB-HJWRWDBZSA-N -1 3 297.358 2.427 20 10 CECDHM CCCOc1ccc(CN2CCC[C@@](F)(CO)C2)c([O-])c1 ZINC000289816633 520348395 /nfs/dbraw/zinc/34/83/95/520348395.db2.gz NWTOFVALOGCRGU-INIZCTEOSA-N -1 3 297.370 2.477 20 10 CECDHM CCN(CCC(=O)OC)Cc1c([O-])cccc1Cl ZINC000130498299 520993269 /nfs/dbraw/zinc/99/32/69/520993269.db2.gz KLSYMGUQAKXTCV-UHFFFAOYSA-N -1 3 271.744 2.431 20 10 CECDHM CC[C@]1(CO)CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000275159430 523612173 /nfs/dbraw/zinc/61/21/73/523612173.db2.gz BBASPOHDLARBOW-INIZCTEOSA-N -1 3 293.363 2.031 20 10 CECDHM COC(=O)[C@@H]1C[C@H](C)CCN1Cc1cc(F)ccc1[O-] ZINC000274895480 523787401 /nfs/dbraw/zinc/78/74/01/523787401.db2.gz FSDKHJHPBZQUHO-MFKMUULPSA-N -1 3 281.327 2.305 20 10 CECDHM C[C@@H]1CCN(Cc2c([O-])cccc2Cl)CC[S@]1=O ZINC000277766786 524510033 /nfs/dbraw/zinc/51/00/33/524510033.db2.gz VVHSPLFDWUCVNX-MGNBDDOMSA-N -1 3 287.812 2.389 20 10 CECDHM C[C@@H](C[S@@](C)=O)N(C)Cc1cccc(Cl)c1[O-] ZINC000131041381 524866856 /nfs/dbraw/zinc/86/68/56/524866856.db2.gz JUQJAQWLMOTIMH-XYZCENFISA-N -1 3 275.801 2.244 20 10 CECDHM C[C@H](NCC1(C)OCCCO1)c1ccc(F)c(F)c1[O-] ZINC000277221958 525317137 /nfs/dbraw/zinc/31/71/37/525317137.db2.gz LGYYXQJEVXHFDX-VIFPVBQESA-N -1 3 287.306 2.474 20 10 CECDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H](n2cncn2)C1 ZINC000372817388 526345532 /nfs/dbraw/zinc/34/55/32/526345532.db2.gz ZFVIUTIADAUHGM-VIFPVBQESA-N -1 3 296.733 2.223 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC(Cc2ccccc2)C1 ZINC000369094590 526769573 /nfs/dbraw/zinc/76/95/73/526769573.db2.gz KMRIFEUIWXGAKW-UHFFFAOYSA-N -1 3 283.327 2.413 20 10 CECDHM O=C(NCCOc1cccc(F)c1)c1cc([O-])cs1 ZINC000731869077 574605075 /nfs/dbraw/zinc/60/50/75/574605075.db2.gz KYXFCTLQZOHBGC-UHFFFAOYSA-N -1 3 281.308 2.402 20 10 CECDHM C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2cc([O-])cs2)C1 ZINC000731910754 574605662 /nfs/dbraw/zinc/60/56/62/574605662.db2.gz BVAAVTRBXRFYDR-AOOOYVTPSA-N -1 3 297.376 2.115 20 10 CECDHM C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1cc([O-])cs1 ZINC000731911232 574605698 /nfs/dbraw/zinc/60/56/98/574605698.db2.gz GZZSQKBRZWZCGU-GXSJLCMTSA-N -1 3 297.376 2.305 20 10 CECDHM COCCOc1ncccc1NC(=O)c1cc([O-])cs1 ZINC000732285047 574618024 /nfs/dbraw/zinc/61/80/24/574618024.db2.gz OURZEOMHCDEDTK-UHFFFAOYSA-N -1 3 294.332 2.126 20 10 CECDHM CCCn1nccc1NC(=O)c1cc([O-])cs1 ZINC000732270204 574616740 /nfs/dbraw/zinc/61/67/40/574616740.db2.gz QUCKGIMTOIYXPB-UHFFFAOYSA-N -1 3 251.311 2.313 20 10 CECDHM C[C@@H](NC(=O)c1cc([O-])cs1)C(=O)Nc1ccccc1 ZINC000732578484 574623567 /nfs/dbraw/zinc/62/35/67/574623567.db2.gz PHGQSYOXPDKOOA-SECBINFHSA-N -1 3 290.344 2.211 20 10 CECDHM O=C(NC[C@@H]1OCCc2ccccc21)c1cc([O-])cs1 ZINC000733363770 574666674 /nfs/dbraw/zinc/66/66/74/574666674.db2.gz GOEQEBFITBSIIX-ZDUSSCGKSA-N -1 3 289.356 2.498 20 10 CECDHM Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1cc([O-])cs1 ZINC000734876864 574733506 /nfs/dbraw/zinc/73/35/06/574733506.db2.gz FBBJZGBGXIHETK-GFCCVEGCSA-N -1 3 289.360 2.360 20 10 CECDHM Cc1cc([O-])c(C[N@@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1C ZINC000740089387 574941772 /nfs/dbraw/zinc/94/17/72/574941772.db2.gz SFXZXOCTAJWMBI-OCCSQVGLSA-N -1 3 292.379 2.487 20 10 CECDHM Cc1cc([O-])c(C[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)cc1C ZINC000740089387 574941774 /nfs/dbraw/zinc/94/17/74/574941774.db2.gz SFXZXOCTAJWMBI-OCCSQVGLSA-N -1 3 292.379 2.487 20 10 CECDHM CC(=O)c1cnc(NC(=O)c2cc([O-])cs2)s1 ZINC000743421368 575053434 /nfs/dbraw/zinc/05/34/34/575053434.db2.gz ZUMQNVCUJJXDRB-UHFFFAOYSA-N -1 3 268.319 2.365 20 10 CECDHM COCCCOC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000743522552 575105852 /nfs/dbraw/zinc/10/58/52/575105852.db2.gz YEJDBAXPSJURQO-UHFFFAOYSA-N -1 3 299.392 2.111 20 10 CECDHM C[C@H]([NH2+]C1CCN(C(=O)[O-])CC1)c1ccccc1[O-] ZINC000827727220 604287893 /nfs/dbraw/zinc/28/78/93/604287893.db2.gz HFDDPYLQSUQZGH-JTQLQIEISA-N -1 3 264.325 2.185 20 10 CECDHM C[C@@H](CC[NH2+][C@@H](C)c1ccccc1[O-])NC(=O)[O-] ZINC000833805152 606044050 /nfs/dbraw/zinc/04/40/50/606044050.db2.gz NBSYXFFJRXTFSN-UWVGGRQHSA-N -1 3 252.314 2.089 20 10 CECDHM COc1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000181625350 628125771 /nfs/dbraw/zinc/12/57/71/628125771.db2.gz MORXQAQXSWSYNL-UHFFFAOYSA-N -1 3 297.307 2.341 20 10 CECDHM Cc1cc([O-])c(CN2CCCn3nncc3C2)c(Cl)c1 ZINC000895757899 630333699 /nfs/dbraw/zinc/33/36/99/630333699.db2.gz XVZAEKZPQQUNDX-UHFFFAOYSA-N -1 3 292.770 2.351 20 10 CECDHM CCOC(=O)[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000896956031 630842209 /nfs/dbraw/zinc/84/22/09/630842209.db2.gz NUDYKBLGIWZGLU-SECBINFHSA-N -1 3 285.290 2.055 20 10 CECDHM COCC1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000839855119 630880126 /nfs/dbraw/zinc/88/01/26/630880126.db2.gz YYDHUYARNNZDGS-UHFFFAOYSA-N -1 3 279.336 2.033 20 10 CECDHM COc1nn(C)cc1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000903337361 635067775 /nfs/dbraw/zinc/06/77/75/635067775.db2.gz IVVBPNABEDMRHE-VIFPVBQESA-N -1 3 279.315 2.124 20 10 CECDHM Cc1cc([O-])c(CNCc2nnc3n2CCC3)cc1Cl ZINC000825096268 635566503 /nfs/dbraw/zinc/56/65/03/635566503.db2.gz DJZYNCJNDXWELT-UHFFFAOYSA-N -1 3 292.770 2.182 20 10 CECDHM Cc1cc([O-])c(CN[C@@H](C)c2nncn2C)cc1Cl ZINC000825241703 635598496 /nfs/dbraw/zinc/59/84/96/635598496.db2.gz WKOHQLZQRQOKRX-VIFPVBQESA-N -1 3 280.759 2.333 20 10 CECDHM Cc1cc([O-])c(CN2CCO[C@]3(CCOC3)C2)cc1Cl ZINC000825536515 635656653 /nfs/dbraw/zinc/65/66/53/635656653.db2.gz KCJXPKZTEHDGBF-OAHLLOKOSA-N -1 3 297.782 2.345 20 10 CECDHM [O-]c1c(F)cccc1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC000826510716 635775766 /nfs/dbraw/zinc/77/57/66/635775766.db2.gz HLFSFFISDCBPDX-UHFFFAOYSA-N -1 3 299.309 2.001 20 10 CECDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000905148943 635848625 /nfs/dbraw/zinc/84/86/25/635848625.db2.gz PYGISMXGIXPDJS-MRVPVSSYSA-N -1 3 252.289 2.129 20 10 CECDHM [O-]c1c(F)c(F)ccc1CN1CCC[C@@H](n2cncn2)C1 ZINC000876693962 650403381 /nfs/dbraw/zinc/40/33/81/650403381.db2.gz LPOBFSMHFMXALC-LLVKDONJSA-N -1 3 294.305 2.099 20 10 CECDHM O=C(NCc1ccccc1F)c1cccc(O)c1[O-] ZINC000126225395 650476939 /nfs/dbraw/zinc/47/69/39/650476939.db2.gz BEOJSYKJLGEPNY-UHFFFAOYSA-N -1 3 261.252 2.167 20 10 CECDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000126230932 650478040 /nfs/dbraw/zinc/47/80/40/650478040.db2.gz KLAKVPRVJNSZSE-UHFFFAOYSA-N -1 3 257.289 2.336 20 10 CECDHM CCN(CC(=O)OC)Cc1c([O-])cc(C)cc1Cl ZINC000840914099 639583788 /nfs/dbraw/zinc/58/37/88/639583788.db2.gz NNGSARJRCHBNQW-UHFFFAOYSA-N -1 3 271.744 2.349 20 10 CECDHM C[C@H](CC(F)(F)F)NC(=O)c1cccc(O)c1[O-] ZINC000229418048 639698672 /nfs/dbraw/zinc/69/86/72/639698672.db2.gz HOVHMQDJWIMTAF-ZCFIWIBFSA-N -1 3 263.215 2.169 20 10 CECDHM Cc1cccc(CCNC(=O)c2cccc(O)c2[O-])c1 ZINC000126379973 650607239 /nfs/dbraw/zinc/60/72/39/650607239.db2.gz LYSVUWDVSAZNDQ-UHFFFAOYSA-N -1 3 271.316 2.379 20 10 CECDHM CC(C)[C@@H]1CN(C)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877180541 650613496 /nfs/dbraw/zinc/61/34/96/650613496.db2.gz ZEWLRNZZGMWVGP-ZDUSSCGKSA-N -1 3 284.350 2.442 20 10 CECDHM C[C@@H]1C[C@H](NCc2cc(Cl)ccc2[O-])c2ncnn21 ZINC000850351405 642677934 /nfs/dbraw/zinc/67/79/34/642677934.db2.gz BCLSRAVUHGHHLY-KCJUWKMLSA-N -1 3 278.743 2.433 20 10 CECDHM CCSCCCNC(=O)NCc1c([O-])cccc1F ZINC000922353975 643045016 /nfs/dbraw/zinc/04/50/16/643045016.db2.gz GWAOLROKICYBIO-UHFFFAOYSA-N -1 3 286.372 2.474 20 10 CECDHM CC(C)(O)C(C)(C)CNC(=O)NCc1c([O-])cccc1F ZINC000922776738 643254150 /nfs/dbraw/zinc/25/41/50/643254150.db2.gz MQGSGVQPYDMCIF-UHFFFAOYSA-N -1 3 298.358 2.128 20 10 CECDHM C[C@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)CS1 ZINC000922881993 643308221 /nfs/dbraw/zinc/30/82/21/643308221.db2.gz LBMWOOMXBXVZQP-DTWKUNHWSA-N -1 3 284.356 2.225 20 10 CECDHM CO[C@H](CNC(=O)NCc1c([O-])cccc1F)CC(C)C ZINC000922914036 643447286 /nfs/dbraw/zinc/44/72/86/643447286.db2.gz BNJXOFQXSBUHTQ-NSHDSACASA-N -1 3 298.358 2.392 20 10 CECDHM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CCC1CC1 ZINC000766047918 645840741 /nfs/dbraw/zinc/84/07/41/645840741.db2.gz NLQVPERDNQZTBU-UHFFFAOYSA-N -1 3 283.349 2.137 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCN(C)[C@@H](C)[C@H]2C)c1[O-] ZINC000771467644 646521749 /nfs/dbraw/zinc/52/17/49/646521749.db2.gz UPKGXCBAHSKFIT-WDEREUQCSA-N -1 3 294.370 2.258 20 10 CECDHM Cn1cnc2c1CCN(Cc1c([O-])cccc1Cl)C2 ZINC000772598460 646647939 /nfs/dbraw/zinc/64/79/39/646647939.db2.gz CNOQYDYSKCYSPN-UHFFFAOYSA-N -1 3 277.755 2.337 20 10 CECDHM C[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000788270777 648167932 /nfs/dbraw/zinc/16/79/32/648167932.db2.gz RURAHZQUSDUWCY-GMSGAONNSA-N -1 3 259.708 2.140 20 10 CECDHM C[C@@H](NCc1cc(Cl)ccc1[O-])c1ncnn1C ZINC000788971614 648239764 /nfs/dbraw/zinc/23/97/64/648239764.db2.gz PYYYVLZFYCHQDO-MRVPVSSYSA-N -1 3 266.732 2.025 20 10 CECDHM CC1(C)CN(Cc2c([O-])ccc(Cl)c2F)C[C@@H]1O ZINC000790936316 648462066 /nfs/dbraw/zinc/46/20/66/648462066.db2.gz AVLMNIXORDGIKD-NSHDSACASA-N -1 3 273.735 2.387 20 10 CECDHM O=C(Nc1cccc(N2CCC2=O)c1)c1cccc(O)c1[O-] ZINC000791091754 648481362 /nfs/dbraw/zinc/48/13/62/648481362.db2.gz HUIKZLCQEJCPRM-UHFFFAOYSA-N -1 3 298.298 2.087 20 10 CECDHM C[C@@H](NCc1cc(F)cc(F)c1[O-])c1nnc2n1CCC2 ZINC000882886531 652250229 /nfs/dbraw/zinc/25/02/29/652250229.db2.gz YTSWFEYOKCHQNW-MRVPVSSYSA-N -1 3 294.305 2.059 20 10 CECDHM CC[C@@H](C)NC(=O)[C@@H](C)NCc1cc(F)cc(F)c1[O-] ZINC000882941029 652278930 /nfs/dbraw/zinc/27/89/30/652278930.db2.gz GGZIDBBMDNDDGN-RKDXNWHRSA-N -1 3 286.322 2.063 20 10 CECDHM O=C1CC[C@@]2(CCCN(Cc3cc(F)c(F)cc3[O-])C2)O1 ZINC001142527106 806619664 /nfs/dbraw/zinc/61/96/64/806619664.db2.gz KTDQZGWNLZROCJ-OAHLLOKOSA-N -1 3 297.301 2.342 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1C[C@@H](F)C[C@H](CO)C1 ZINC001140461565 802934992 /nfs/dbraw/zinc/93/49/92/802934992.db2.gz MEPVQDMQXFRZKM-CABZTGNLSA-N -1 3 273.735 2.198 20 10 CECDHM C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC000693476267 802957107 /nfs/dbraw/zinc/95/71/07/802957107.db2.gz QICSZPXYAPWXBW-CABZTGNLSA-N -1 3 267.300 2.074 20 10 CECDHM C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC000693476267 802957110 /nfs/dbraw/zinc/95/71/10/802957110.db2.gz QICSZPXYAPWXBW-CABZTGNLSA-N -1 3 267.300 2.074 20 10 CECDHM COC(=O)[C@@H]1CCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237799701 808258348 /nfs/dbraw/zinc/25/83/48/808258348.db2.gz SVSIADBVMUVYKO-MRVPVSSYSA-N -1 3 287.718 2.180 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H]2CC[C@@H](C1)S2 ZINC000707706617 809917610 /nfs/dbraw/zinc/91/76/10/809917610.db2.gz IKMZJWXPXTVTMR-ZJUUUORDSA-N -1 3 279.361 2.208 20 10 CECDHM O=C(CNc1cccn2cncc12)c1ccc([O-])c(O)c1 ZINC001170322304 812386628 /nfs/dbraw/zinc/38/66/28/812386628.db2.gz JMRCLAQLZCIDJE-UHFFFAOYSA-N -1 3 283.287 2.040 20 10 CECDHM Cc1cc(N(C)C(=O)c2cccc(O)c2[O-])ccc1O ZINC001170993734 813726223 /nfs/dbraw/zinc/72/62/23/813726223.db2.gz MALYCVITCZQYOJ-UHFFFAOYSA-N -1 3 273.288 2.388 20 10 CECDHM O=C(N[C@H]1COCc2ccccc21)c1cccc(O)c1[O-] ZINC001148224674 814538367 /nfs/dbraw/zinc/53/83/67/814538367.db2.gz RWVXLAOSNLQQPL-ZDUSSCGKSA-N -1 3 285.299 2.099 20 10 CECDHM O=C(N[C@H]1CCc2ccc(O)cc2C1)c1cccc(O)c1[O-] ZINC001148224624 814538740 /nfs/dbraw/zinc/53/87/40/814538740.db2.gz RAIVJMVIRJGQJC-LBPRGKRZSA-N -1 3 299.326 2.091 20 10 CECDHM C[C@H]1CCCC[C@H]1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148585919 814592200 /nfs/dbraw/zinc/59/22/00/814592200.db2.gz DXKKNDJBGTXIST-UWVGGRQHSA-N -1 3 279.336 2.360 20 10 CECDHM [O-]c1cccc(F)c1CN1CCN(c2nccs2)CC1 ZINC001137831961 815690801 /nfs/dbraw/zinc/69/08/01/815690801.db2.gz UUDXUOYHRZPOMX-UHFFFAOYSA-N -1 3 293.367 2.310 20 10 CECDHM [O-]c1cccc(F)c1CN1CCc2ccncc2C1 ZINC001137839066 815695164 /nfs/dbraw/zinc/69/51/64/815695164.db2.gz PZEMEGFQQOAQPK-UHFFFAOYSA-N -1 3 258.296 2.485 20 10 CECDHM [O-]c1c(F)cccc1CN1CCCCC12COC2 ZINC001138127415 815733481 /nfs/dbraw/zinc/73/34/81/815733481.db2.gz AGSLNXWJHIJIHX-UHFFFAOYSA-N -1 3 251.301 2.286 20 10 CECDHM C[C@H]1C[C@@H](O)CCN1Cc1c([O-])c(F)ccc1F ZINC001139685894 816078286 /nfs/dbraw/zinc/07/82/86/816078286.db2.gz DHJFFNCNIHIWOK-IUCAKERBSA-N -1 3 257.280 2.016 20 10 CECDHM [O-]c1ccc(F)cc1CN1CC(F)(F)CC[C@@H]1CO ZINC001140057659 816180476 /nfs/dbraw/zinc/18/04/76/816180476.db2.gz JJPOHZOPVIWZQR-LLVKDONJSA-N -1 3 275.270 2.123 20 10 CECDHM CC(C)(C)OC(=O)NC1CN(Cc2cc(F)ccc2[O-])C1 ZINC001140058356 816180625 /nfs/dbraw/zinc/18/06/25/816180625.db2.gz XPKOZXGJDZXZAB-UHFFFAOYSA-N -1 3 296.342 2.240 20 10 CECDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)CCC1=O ZINC001140337926 816238017 /nfs/dbraw/zinc/23/80/17/816238017.db2.gz NLIYQWXTTSBDRO-VIFPVBQESA-N -1 3 253.729 2.457 20 10 CECDHM CS(=O)(=O)N(c1ccc(N)cc1)c1ccc([O-])cc1F ZINC001176413914 816414997 /nfs/dbraw/zinc/41/49/97/816414997.db2.gz OEITVQLGDPBDDB-UHFFFAOYSA-N -1 3 296.323 2.211 20 10 CECDHM COC(=O)[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508523 816676865 /nfs/dbraw/zinc/67/68/65/816676865.db2.gz BTTHMSAQVLXLCG-VIFPVBQESA-N -1 3 285.290 2.055 20 10 CECDHM CC(=O)C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142524674 816678810 /nfs/dbraw/zinc/67/88/10/816678810.db2.gz GESNGUXLCKXILD-UHFFFAOYSA-N -1 3 269.291 2.471 20 10 CECDHM Cc1c2ccccc2n(C)c1CN=c1ncnc2[nH][n-]cc1-2 ZINC000358821944 371235629 /nfs/dbraw/zinc/23/56/29/371235629.db2.gz GDYAFYTZUZNGJI-UHFFFAOYSA-N -1 3 292.346 2.139 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CCC[C@H](CO)C1 ZINC000271834968 373204268 /nfs/dbraw/zinc/20/42/68/373204268.db2.gz RRNZVPPHPUBCJH-JTQLQIEISA-N -1 3 255.745 2.250 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CCC[C@@H](CO)C1 ZINC000271834969 373204791 /nfs/dbraw/zinc/20/47/91/373204791.db2.gz RRNZVPPHPUBCJH-SNVBAGLBSA-N -1 3 255.745 2.250 20 10 CECDHM CN(Cc1ncnn1C(C)(C)C)Cc1ccccc1[O-] ZINC000282974748 375628918 /nfs/dbraw/zinc/62/89/18/375628918.db2.gz DBAFMXHMOJHVOZ-UHFFFAOYSA-N -1 3 274.368 2.371 20 10 CECDHM Cc1cc(CN[C@H](C)c2ccc(F)cc2[O-])n(C)n1 ZINC000284408857 375827874 /nfs/dbraw/zinc/82/78/74/375827874.db2.gz QDKXUSMGNGGTMC-SNVBAGLBSA-N -1 3 263.316 2.424 20 10 CECDHM C[C@H](NCc1cc(Cl)c(F)cc1[O-])c1nncn1C ZINC000293570470 377634897 /nfs/dbraw/zinc/63/48/97/377634897.db2.gz IYQFRNROGRKGDU-ZETCQYMHSA-N -1 3 284.722 2.164 20 10 CECDHM CN(Cc1c([O-])cccc1Cl)CC(C)(C)CO ZINC000294720123 378015574 /nfs/dbraw/zinc/01/55/74/378015574.db2.gz FKEYKOKTZGJCNE-UHFFFAOYSA-N -1 3 257.761 2.496 20 10 CECDHM COc1cc(Cl)cc([C@H]2NC(=O)CN2CC(C)C)c1[O-] ZINC000273477895 394788281 /nfs/dbraw/zinc/78/82/81/394788281.db2.gz IDUNZAIJGPXMNO-AWEZNQCLSA-N -1 3 298.770 2.141 20 10 CECDHM [O-]c1c(F)cccc1CN1CCC[C@H]2OCC[C@H]21 ZINC000373489860 395062178 /nfs/dbraw/zinc/06/21/78/395062178.db2.gz MZSRPXKVSJHFQG-CHWSQXEVSA-N -1 3 251.301 2.285 20 10 CECDHM Cc1ccc(C(=O)NCCCOCC(C)C)c([O-])c1O ZINC000177667276 395154464 /nfs/dbraw/zinc/15/44/64/395154464.db2.gz PAKOOSZBFKRGPY-UHFFFAOYSA-N -1 3 281.352 2.199 20 10 CECDHM CSC[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000182830651 395248397 /nfs/dbraw/zinc/24/83/97/395248397.db2.gz HQWOJVJGJHVDGK-JTQLQIEISA-N -1 3 281.377 2.374 20 10 CECDHM Cc1ccc(C(=O)N2CCOC[C@@H]2CC(C)C)c([O-])c1O ZINC000179499133 395194745 /nfs/dbraw/zinc/19/47/45/395194745.db2.gz ABKCVJZABQJMNO-LBPRGKRZSA-N -1 3 293.363 2.293 20 10 CECDHM CCOCCN1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179669460 261808214 /nfs/dbraw/zinc/80/82/14/261808214.db2.gz JMVCXXOUVCKLOO-UHFFFAOYSA-N -1 3 298.814 2.200 20 10 CECDHM Cc1cc(Cl)cc(CNCC(F)(F)CO)c1[O-] ZINC000185661242 262065239 /nfs/dbraw/zinc/06/52/39/262065239.db2.gz OPTXYKHELZJZPN-UHFFFAOYSA-N -1 3 265.687 2.071 20 10 CECDHM CC1(C)C[C@H](NC(=O)c2cccc(O)c2[O-])C(C)(C)O1 ZINC000189560432 278386997 /nfs/dbraw/zinc/38/69/97/278386997.db2.gz UFZCKWUBVIUIFO-NSHDSACASA-N -1 3 279.336 2.174 20 10 CECDHM COC(=O)[C@H]1CCCCCN1Cc1cc(F)ccc1[O-] ZINC000360023312 329070145 /nfs/dbraw/zinc/07/01/45/329070145.db2.gz YTBZVGOGYDTNPX-CYBMUJFWSA-N -1 3 281.327 2.449 20 10 CECDHM CN1CCN(C(=O)/C=C\c2cncc([O-])c2)c2ccccc21 ZINC000492397086 332395693 /nfs/dbraw/zinc/39/56/93/332395693.db2.gz JSMJIQIVVIPCFJ-SREVYHEPSA-N -1 3 295.342 2.283 20 10 CECDHM CCn1ncc(CNCc2cc(Cl)c(F)cc2[O-])n1 ZINC000529638574 333502787 /nfs/dbraw/zinc/50/27/87/333502787.db2.gz LADBVXDZMMLDSS-UHFFFAOYSA-N -1 3 284.722 2.086 20 10 CECDHM COC[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000275876570 522506105 /nfs/dbraw/zinc/50/61/05/522506105.db2.gz ATGVBTCDJBRBAD-QWRGUYRKSA-N -1 3 285.771 2.281 20 10 CECDHM COC1(CNC(=O)c2ccc(C)c(O)c2[O-])CCCC1 ZINC000295540338 522624966 /nfs/dbraw/zinc/62/49/66/522624966.db2.gz KOBDEUNDIWWWIC-UHFFFAOYSA-N -1 3 279.336 2.095 20 10 CECDHM COCCN(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000042459777 523619202 /nfs/dbraw/zinc/61/92/02/523619202.db2.gz BVHJUVYZWRKUPF-UHFFFAOYSA-N -1 3 271.744 2.326 20 10 CECDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280331013 524979335 /nfs/dbraw/zinc/97/93/35/524979335.db2.gz RELRTFUZPIUTKB-IAQYHMDHSA-N -1 3 297.782 2.425 20 10 CECDHM C[C@@H]1C[C@H](CCNC(=O)c2cccc(O)c2[O-])CCO1 ZINC000280461373 525407376 /nfs/dbraw/zinc/40/73/76/525407376.db2.gz MHNJWRMQMJXUIN-GHMZBOCLSA-N -1 3 279.336 2.033 20 10 CECDHM NC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000157148925 526971211 /nfs/dbraw/zinc/97/12/11/526971211.db2.gz ZAPPRWWUAOZYCG-SSDOTTSWSA-N -1 3 289.162 2.006 20 10 CECDHM CCN(C[C@H]1CCCO1)C(=O)c1cc([O-])cs1 ZINC000731870031 574604488 /nfs/dbraw/zinc/60/44/88/574604488.db2.gz IIRVSCGQIZFWTN-SNVBAGLBSA-N -1 3 255.339 2.095 20 10 CECDHM O=C(NC[C@H](O)C1CCCCC1)c1cc([O-])cs1 ZINC000732284826 574618042 /nfs/dbraw/zinc/61/80/42/574618042.db2.gz DDBZVDOBAPDMBQ-NSHDSACASA-N -1 3 269.366 2.125 20 10 CECDHM Cc1cc(C)n(CCCNC(=O)c2cc([O-])cs2)n1 ZINC000732262850 574616154 /nfs/dbraw/zinc/61/61/54/574616154.db2.gz GXUVVHHAILCLKY-UHFFFAOYSA-N -1 3 279.365 2.087 20 10 CECDHM O=C(Nc1ccc(-n2ccnc2)nc1)c1cc([O-])cs1 ZINC000732267218 574616479 /nfs/dbraw/zinc/61/64/79/574616479.db2.gz DBQOTSABPOALGA-UHFFFAOYSA-N -1 3 286.316 2.287 20 10 CECDHM O=C(COC(=O)c1cc([O-])cs1)Nc1ccccc1F ZINC000732354281 574619748 /nfs/dbraw/zinc/61/97/48/574619748.db2.gz RCCRVNZIKSRART-UHFFFAOYSA-N -1 3 295.291 2.388 20 10 CECDHM O=C(OCc1nc(C2CC2)no1)c1cc([O-])cs1 ZINC000733496638 574677442 /nfs/dbraw/zinc/67/74/42/574677442.db2.gz JSRKPLDUUOOCDO-UHFFFAOYSA-N -1 3 266.278 2.071 20 10 CECDHM COc1ccc(CN[C@H](CNC(=O)[O-])C2CC2)cc1C ZINC000739905076 574935923 /nfs/dbraw/zinc/93/59/23/574935923.db2.gz ZVRZIHYQBLSLET-CYBMUJFWSA-N -1 3 278.352 2.139 20 10 CECDHM Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)c([O-])c1O ZINC000751530457 575291313 /nfs/dbraw/zinc/29/13/13/575291313.db2.gz MRFULTUKNIHTHH-UHFFFAOYSA-N -1 3 287.271 2.387 20 10 CECDHM CCOc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c([O-])c1 ZINC000820387359 598151148 /nfs/dbraw/zinc/15/11/48/598151148.db2.gz LUUNUTMPWJFUBI-LBPRGKRZSA-N -1 3 293.363 2.478 20 10 CECDHM CCOc1ccc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c([O-])c1 ZINC000820387359 598151149 /nfs/dbraw/zinc/15/11/49/598151149.db2.gz LUUNUTMPWJFUBI-LBPRGKRZSA-N -1 3 293.363 2.478 20 10 CECDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1O ZINC000826186744 609481378 /nfs/dbraw/zinc/48/13/78/609481378.db2.gz JCFISRMUHUFDKC-UHFFFAOYSA-N -1 3 297.318 2.193 20 10 CECDHM CC1CCN(CC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890760713 622932607 /nfs/dbraw/zinc/93/26/07/622932607.db2.gz XGROUYAJNVVQPL-UHFFFAOYSA-N -1 3 296.798 2.394 20 10 CECDHM Cc1ccc(C(=O)N(C)c2nccs2)c([O-])c1O ZINC000177683688 625822782 /nfs/dbraw/zinc/82/27/82/625822782.db2.gz SMXJPASBHTUMMJ-UHFFFAOYSA-N -1 3 264.306 2.139 20 10 CECDHM CCOCCC1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000193145332 628466784 /nfs/dbraw/zinc/46/67/84/628466784.db2.gz HVDWTABPBJSXNC-UHFFFAOYSA-N -1 3 279.336 2.034 20 10 CECDHM COc1ccc(F)cc1NC(=O)c1cccc(O)c1[O-] ZINC000193151542 628467082 /nfs/dbraw/zinc/46/70/82/628467082.db2.gz KLAUYXKLICFQSV-UHFFFAOYSA-N -1 3 277.251 2.498 20 10 CECDHM CC1(C)CN(Cc2cc(F)cc(F)c2[O-])CC[C@H]1O ZINC000894533889 629517056 /nfs/dbraw/zinc/51/70/56/629517056.db2.gz KHMMHYJNIWAGKI-GFCCVEGCSA-N -1 3 271.307 2.263 20 10 CECDHM CCN1CCN(Cc2cc(F)cc(F)c2[O-])[C@@H](C)C1 ZINC000894745193 629614990 /nfs/dbraw/zinc/61/49/90/629614990.db2.gz BPRWVPGEUAHWJZ-JTQLQIEISA-N -1 3 270.323 2.196 20 10 CECDHM Cc1cccc(CCCNC(=O)c2cccc(O)c2[O-])n1 ZINC000804145893 631641307 /nfs/dbraw/zinc/64/13/07/631641307.db2.gz XIXBGMRJIUFPRT-UHFFFAOYSA-N -1 3 286.331 2.164 20 10 CECDHM Cc1cc([O-])c(CN2CC(=O)N(C)[C@@H](C)C2)cc1Cl ZINC000825779323 635712813 /nfs/dbraw/zinc/71/28/13/635712813.db2.gz JKDNTMZDVHRRQB-JTQLQIEISA-N -1 3 282.771 2.017 20 10 CECDHM Cc1cc([O-])c(CN2C[C@@H](CO)OC(C)(C)C2)c(Cl)c1 ZINC000817412131 633650850 /nfs/dbraw/zinc/65/08/50/633650850.db2.gz DIWYDHVSKOHVFY-NSHDSACASA-N -1 3 299.798 2.326 20 10 CECDHM Cc1cc([O-])c(CN[C@@H](C)c2ncn(C)n2)cc1Cl ZINC000825621140 635677999 /nfs/dbraw/zinc/67/79/99/635677999.db2.gz JOVKVGKOSNRUIY-VIFPVBQESA-N -1 3 280.759 2.333 20 10 CECDHM Cc1cc([O-])c(CN2C[C@@H]3C[C@H]2C[S@@]3=O)cc1Cl ZINC000826143296 635767129 /nfs/dbraw/zinc/76/71/29/635767129.db2.gz WPFRONVXCUQGFB-FHGNATFXSA-N -1 3 285.796 2.059 20 10 CECDHM O=C(NCc1c([O-])cccc1F)c1ccnn1C1CCC1 ZINC000830179606 637000998 /nfs/dbraw/zinc/00/09/98/637000998.db2.gz BBIPKCFJUOORNX-UHFFFAOYSA-N -1 3 289.310 2.383 20 10 CECDHM Cc1cc([O-])c(CN(C)Cc2nncn2C)c(Cl)c1 ZINC000840945742 639596485 /nfs/dbraw/zinc/59/64/85/639596485.db2.gz WOJXFXXINJORMQ-UHFFFAOYSA-N -1 3 280.759 2.115 20 10 CECDHM Cc1cc([O-])c(CN2CC(C)(CO)C2)c(Cl)c1 ZINC000840953514 639599351 /nfs/dbraw/zinc/59/93/51/639599351.db2.gz UCPGLVKWWGFZOE-UHFFFAOYSA-N -1 3 255.745 2.168 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC(OC2CCC2)CC1 ZINC000841446121 639765018 /nfs/dbraw/zinc/76/50/18/639765018.db2.gz ZWWHSHQWODEEMM-UHFFFAOYSA-N -1 3 291.347 2.272 20 10 CECDHM CC(C)CCNC(=O)NCc1c([O-])cccc1F ZINC000913837533 640129662 /nfs/dbraw/zinc/12/96/62/640129662.db2.gz GZNAHNJHJZVFNZ-UHFFFAOYSA-N -1 3 254.305 2.377 20 10 CECDHM C[C@@H]1C(=O)N(C)CN1Cc1ccc2ccccc2c1[O-] ZINC000843434548 640429214 /nfs/dbraw/zinc/42/92/14/640429214.db2.gz AFIOEXSTDDZRPS-LLVKDONJSA-N -1 3 270.332 2.165 20 10 CECDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2CCCn3nccc32)c1 ZINC000850429587 642709665 /nfs/dbraw/zinc/70/96/65/642709665.db2.gz GRHKCXMRPYXZFB-GFCCVEGCSA-N -1 3 288.307 2.122 20 10 CECDHM [O-]c1c(F)c(F)ccc1CN1CCC[C@@H](n2ccnn2)C1 ZINC000877597729 650808003 /nfs/dbraw/zinc/80/80/03/650808003.db2.gz WPXPBCBLKIAKPV-LLVKDONJSA-N -1 3 294.305 2.099 20 10 CECDHM C[C@H]1COCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000922443291 643073925 /nfs/dbraw/zinc/07/39/25/643073925.db2.gz BLIZROBDQVGRFE-WDEREUQCSA-N -1 3 296.342 2.003 20 10 CECDHM CO[C@@H]([C@@H](C)NC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000922761697 643245458 /nfs/dbraw/zinc/24/54/58/643245458.db2.gz FQMAHJHAJZGIPH-OTYXRUKQSA-N -1 3 296.342 2.144 20 10 CECDHM O=C(Nc1cccc(-c2nnco2)c1)c1cccc(O)c1[O-] ZINC000186998802 643384436 /nfs/dbraw/zinc/38/44/36/643384436.db2.gz JSGMPJPCRKBRBR-UHFFFAOYSA-N -1 3 297.270 2.400 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCN(C)C(C)(C)C2)c1[O-] ZINC000110729428 643490606 /nfs/dbraw/zinc/49/06/06/643490606.db2.gz YVYHERGOVYACMW-UHFFFAOYSA-N -1 3 294.370 2.260 20 10 CECDHM C[C@@H]1SCC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000923047117 643531292 /nfs/dbraw/zinc/53/12/92/643531292.db2.gz VHAYBNMOMCLXGF-KWQFWETISA-N -1 3 284.356 2.225 20 10 CECDHM C[C@@H](COCC1CC1)NC(=O)NCc1c([O-])cccc1F ZINC000923083898 643551483 /nfs/dbraw/zinc/55/14/83/643551483.db2.gz UEYLJGHAAWYKQK-JTQLQIEISA-N -1 3 296.342 2.146 20 10 CECDHM CC(C)(F)CCNC(=O)NCc1c([O-])cccc1F ZINC000923271209 643630917 /nfs/dbraw/zinc/63/09/17/643630917.db2.gz HNDMCCKOTFEGQS-UHFFFAOYSA-N -1 3 272.295 2.469 20 10 CECDHM CCOc1ccc(C[NH2+]C[C@@H](C(=O)[O-])C2CCC2)c([O-])c1 ZINC000854247260 644022234 /nfs/dbraw/zinc/02/22/34/644022234.db2.gz XKRBIVPABVHMIP-CQSZACIVSA-N -1 3 293.363 2.381 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@H]2CS3)c1[O-] ZINC000839201641 644193005 /nfs/dbraw/zinc/19/30/05/644193005.db2.gz NGMNKBPCBINFGC-RYUDHWBXSA-N -1 3 281.352 2.424 20 10 CECDHM C[C@]1(CNC(=O)c2cccc(O)c2[O-])C[C@H]2C[C@H]2C1 ZINC000863123223 646646251 /nfs/dbraw/zinc/64/62/51/646646251.db2.gz PWBLTNUGBMSLOW-RTUWITSCSA-N -1 3 261.321 2.264 20 10 CECDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H](CO)C1 ZINC000775634046 646974090 /nfs/dbraw/zinc/97/40/90/646974090.db2.gz NZKFMDLVPZTAMB-VIFPVBQESA-N -1 3 273.735 2.389 20 10 CECDHM C[C@H](NCc1cc(C(N)=O)co1)c1cc(F)cc(F)c1[O-] ZINC000779069761 647285452 /nfs/dbraw/zinc/28/54/52/647285452.db2.gz ZKYJHDHTSRKMJW-ZETCQYMHSA-N -1 3 296.273 2.213 20 10 CECDHM CCc1ncsc1NC(=O)c1cccc(O)c1[O-] ZINC000790899019 648459445 /nfs/dbraw/zinc/45/94/45/648459445.db2.gz GUWACIYQCMMUFM-UHFFFAOYSA-N -1 3 264.306 2.369 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1C1CCOCC1 ZINC000790919832 648460949 /nfs/dbraw/zinc/46/09/49/648460949.db2.gz TVZSXUAHHXYGDE-CYBMUJFWSA-N -1 3 291.347 2.129 20 10 CECDHM O=C(Nc1cccc(-c2c[nH]nn2)c1)c1cccc(O)c1[O-] ZINC000790925658 648461098 /nfs/dbraw/zinc/46/10/98/648461098.db2.gz ANMSLVMOOUVFAB-UHFFFAOYSA-N -1 3 296.286 2.135 20 10 CECDHM C[C@@H]1C[C@@H](O)CN1Cc1c([O-])ccc(Cl)c1F ZINC000792178047 648620133 /nfs/dbraw/zinc/62/01/33/648620133.db2.gz BMONHJFPXHJTOK-HTQZYQBOSA-N -1 3 259.708 2.140 20 10 CECDHM Cn1ccc(CNCc2cccc(Cl)c2[O-])n1 ZINC000124865354 649752432 /nfs/dbraw/zinc/75/24/32/649752432.db2.gz HPBVOLIWSOGSTB-UHFFFAOYSA-N -1 3 251.717 2.069 20 10 CECDHM CCc1cc(CNCc2cc(F)cc(F)c2[O-])[nH]n1 ZINC000882997546 652314815 /nfs/dbraw/zinc/31/48/15/652314815.db2.gz ULWZFTLJHDCCJH-UHFFFAOYSA-N -1 3 267.279 2.246 20 10 CECDHM C[C@H](NCc1cc(F)cc(F)c1[O-])c1ccnn1C ZINC000883199282 652397451 /nfs/dbraw/zinc/39/74/51/652397451.db2.gz AHDOTTCENOBLBX-QMMMGPOBSA-N -1 3 267.279 2.255 20 10 CECDHM CC(C)NC(=O)CN(C)Cc1cc(Cl)ccc1[O-] ZINC000133379328 652623607 /nfs/dbraw/zinc/62/36/07/652623607.db2.gz VFJUTQZAPASAHW-UHFFFAOYSA-N -1 3 270.760 2.002 20 10 CECDHM C[C@@H]1C[C@@H](O)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142525074 806618275 /nfs/dbraw/zinc/61/82/75/806618275.db2.gz WAKAIZQAGFHRFC-SCZZXKLOSA-N -1 3 257.280 2.016 20 10 CECDHM Cc1cccc([O-])c1C(=O)NCc1ccccc1O ZINC000706637324 802793889 /nfs/dbraw/zinc/79/38/89/802793889.db2.gz QVTVQPLOVKMTNF-UHFFFAOYSA-N -1 3 257.289 2.336 20 10 CECDHM CCN(Cc1ccncc1)C(=O)c1cccc(O)c1[O-] ZINC000126291946 814257980 /nfs/dbraw/zinc/25/79/80/814257980.db2.gz FCBNZXBQSOJZNO-UHFFFAOYSA-N -1 3 272.304 2.155 20 10 CECDHM C[C@@]1(F)CCCCN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148582262 814592015 /nfs/dbraw/zinc/59/20/15/814592015.db2.gz HQUHHLUUBLUBTL-CQSZACIVSA-N -1 3 283.299 2.158 20 10 CECDHM CCCN1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139684371 814751567 /nfs/dbraw/zinc/75/15/67/814751567.db2.gz SZMSDMLLCVHMNL-UHFFFAOYSA-N -1 3 270.323 2.198 20 10 CECDHM O=C(N[C@@H]1C[C@@H]2CCCC[C@H]12)c1cccc(O)c1[O-] ZINC000712571685 814767292 /nfs/dbraw/zinc/76/72/92/814767292.db2.gz KNHPOPNKWJWCHU-JBLDHEPKSA-N -1 3 261.321 2.406 20 10 CECDHM C[C@@H]1CN(Cc2c([O-])cccc2F)CCCC1=O ZINC001137832015 815690440 /nfs/dbraw/zinc/69/04/40/815690440.db2.gz XBFLLEUTIRLWGD-SNVBAGLBSA-N -1 3 251.301 2.332 20 10 CECDHM CCOCCN(CCOCC)Cc1c([O-])cccc1F ZINC001137839128 815694708 /nfs/dbraw/zinc/69/47/08/815694708.db2.gz SKYPKEWUYZQWFZ-UHFFFAOYSA-N -1 3 285.359 2.406 20 10 CECDHM [O-]c1c(F)cccc1CN1CCN(c2cccnc2)CC1 ZINC001138123642 815730412 /nfs/dbraw/zinc/73/04/12/815730412.db2.gz DQHGEAZMZJUDJF-UHFFFAOYSA-N -1 3 287.338 2.249 20 10 CECDHM Cc1ncc(CN(C)Cc2cccc(F)c2[O-])cn1 ZINC001138129556 815735170 /nfs/dbraw/zinc/73/51/70/815735170.db2.gz KBUNJGIBSPQWCH-UHFFFAOYSA-N -1 3 261.300 2.262 20 10 CECDHM CCN1CCN(Cc2c(F)ccc(F)c2[O-])[C@H](C)C1 ZINC001139689597 816085980 /nfs/dbraw/zinc/08/59/80/816085980.db2.gz IEKMITUEFAJNTE-SNVBAGLBSA-N -1 3 270.323 2.196 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCN(C2CCC2)CC1 ZINC001140583014 816290277 /nfs/dbraw/zinc/29/02/77/816290277.db2.gz SZAPLKFLSZNHNA-UHFFFAOYSA-N -1 3 282.334 2.341 20 10 CECDHM Cc1nc(CCN(C)Cc2c([O-])cc(F)cc2F)no1 ZINC001140582983 816291911 /nfs/dbraw/zinc/29/19/11/816291911.db2.gz RUCMMVBICLHFPZ-UHFFFAOYSA-N -1 3 283.278 2.036 20 10 CECDHM COC(=O)[C@@H]1C[C@H](C)CN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583840 816293731 /nfs/dbraw/zinc/29/37/31/816293731.db2.gz VQZQXCVOLYTZCY-VHSXEESVSA-N -1 3 299.317 2.301 20 10 CECDHM CCN1CCN(Cc2c([O-])cc(F)cc2F)[C@H](C)C1 ZINC001140584904 816295038 /nfs/dbraw/zinc/29/50/38/816295038.db2.gz JEPFLZOEENSWPC-SNVBAGLBSA-N -1 3 270.323 2.196 20 10 CECDHM Nc1c(F)cccc1C(=O)NCc1c([O-])cccc1F ZINC001178416372 816743794 /nfs/dbraw/zinc/74/37/94/816743794.db2.gz DZQCPRHOUOFVBJ-UHFFFAOYSA-N -1 3 278.258 2.183 20 10 CECDHM O=C(NCc1c([O-])cccc1F)c1ccc2nccn2c1 ZINC001178413708 816744074 /nfs/dbraw/zinc/74/40/74/816744074.db2.gz XDGPYKAFSBORDU-UHFFFAOYSA-N -1 3 285.278 2.109 20 10 CECDHM CCNC(=O)CN(CC)Cc1cccc(Cl)c1[O-] ZINC000124518448 365654018 /nfs/dbraw/zinc/65/40/18/365654018.db2.gz QIFZSJUSTAKUIE-UHFFFAOYSA-N -1 3 270.760 2.004 20 10 CECDHM CC(=O)N1CCCN(Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000179633694 368345328 /nfs/dbraw/zinc/34/53/28/368345328.db2.gz HPBSDNHBONIVKE-UHFFFAOYSA-N -1 3 296.798 2.408 20 10 CECDHM Cc1cc(CN(C)Cc2cc(F)ccc2[O-])no1 ZINC000179938915 368360344 /nfs/dbraw/zinc/36/03/44/368360344.db2.gz MILJNYZDINAXQL-UHFFFAOYSA-N -1 3 250.273 2.460 20 10 CECDHM CCCN(CC(=O)OCC)Cc1cc(F)ccc1[O-] ZINC000179969994 368361893 /nfs/dbraw/zinc/36/18/93/368361893.db2.gz NTNGKASOYQMGOC-UHFFFAOYSA-N -1 3 269.316 2.306 20 10 CECDHM Cc1noc(C)c1[C@H](C)CNC(=O)c1cccc(O)c1[O-] ZINC000185881780 368879646 /nfs/dbraw/zinc/87/96/46/368879646.db2.gz NYBSOWSSWJPEMW-MRVPVSSYSA-N -1 3 290.319 2.236 20 10 CECDHM CCCC(O)(CCC)CNC(=O)c1cccc(O)c1[O-] ZINC000185703830 368846359 /nfs/dbraw/zinc/84/63/59/368846359.db2.gz AQHJAKHAIGPSOC-UHFFFAOYSA-N -1 3 281.352 2.159 20 10 CECDHM Cc1ccc(C(=O)N[C@H]2CCO[C@@H](C(C)C)C2)c([O-])c1O ZINC000272909358 373706331 /nfs/dbraw/zinc/70/63/31/373706331.db2.gz CVNDAMNVSGZSPF-WCQYABFASA-N -1 3 293.363 2.340 20 10 CECDHM CCO[C@@H]1C[C@@H](NCc2c([O-])cccc2Cl)[C@H]1OC ZINC000273813029 373772128 /nfs/dbraw/zinc/77/21/28/373772128.db2.gz WXHMOZLARJAACE-MRVWCRGKSA-N -1 3 285.771 2.328 20 10 CECDHM CCNC(=O)[C@H](C)N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273407103 373754931 /nfs/dbraw/zinc/75/49/31/373754931.db2.gz ORFPYTFZRLAYES-IUCAKERBSA-N -1 3 270.760 2.221 20 10 CECDHM Cc1cc(C)c([C@@H](C)NCC(F)(F)CO)c([O-])c1 ZINC000285087015 375835944 /nfs/dbraw/zinc/83/59/44/375835944.db2.gz JUTUEDLYOJXLQN-SNVBAGLBSA-N -1 3 259.296 2.287 20 10 CECDHM C[C@]12CCN(C(=O)c3cccc(O)c3[O-])C[C@H]1C2(F)F ZINC000294517071 377993161 /nfs/dbraw/zinc/99/31/61/377993161.db2.gz BWPNAKZPMZQSHS-MFKMUULPSA-N -1 3 283.274 2.215 20 10 CECDHM O=C(NC[C@@H](CO)C1CCCCC1)c1cccc(O)c1[O-] ZINC000294552007 377996502 /nfs/dbraw/zinc/99/65/02/377996502.db2.gz MHEVZLOSCKRETN-LBPRGKRZSA-N -1 3 293.363 2.016 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H](O)C1 ZINC000294817464 378021448 /nfs/dbraw/zinc/02/14/48/378021448.db2.gz FTCVICPDDGTZBH-SECBINFHSA-N -1 3 259.708 2.141 20 10 CECDHM CC[C@@H](NCC(F)(F)CO)c1ccc(C)cc1[O-] ZINC000280128253 394845900 /nfs/dbraw/zinc/84/59/00/394845900.db2.gz OSPUVZKGLDUSOF-LLVKDONJSA-N -1 3 259.296 2.369 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1C[C@@H](O)C2(CC2)C1 ZINC000364446873 394904148 /nfs/dbraw/zinc/90/41/48/394904148.db2.gz KCBHMJHYHWLGJW-GFCCVEGCSA-N -1 3 253.729 2.002 20 10 CECDHM Cc1ccc(C(=O)N[C@H]2[C@@H]3Cc4ccccc4[C@@H]32)c([O-])c1O ZINC000182818838 395247907 /nfs/dbraw/zinc/24/79/07/395247907.db2.gz AMOOOVSWESBBRV-ILXRZTDVSA-N -1 3 295.338 2.474 20 10 CECDHM CCOC[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000179498744 395195306 /nfs/dbraw/zinc/19/53/06/395195306.db2.gz LLUSQRVSLBUESV-LBPRGKRZSA-N -1 3 293.363 2.295 20 10 CECDHM Cc1ccc([C@H](C)NCc2nnc3n2CCCC3)c([O-])c1 ZINC000183847789 395265841 /nfs/dbraw/zinc/26/58/41/395265841.db2.gz ZDDSEGMPELQJAR-LBPRGKRZSA-N -1 3 286.379 2.479 20 10 CECDHM Cc1ccc(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)c([O-])c1O ZINC000157083398 261139076 /nfs/dbraw/zinc/13/90/76/261139076.db2.gz ZBDCVCQVWUDBSW-AAEUAGOBSA-N -1 3 291.347 2.094 20 10 CECDHM COc1cc(Cl)cc(CN2CCC[C@@H](O)C2)c1[O-] ZINC000184672341 262026190 /nfs/dbraw/zinc/02/61/90/262026190.db2.gz IECNEQCDMDGQGS-LLVKDONJSA-N -1 3 271.744 2.011 20 10 CECDHM O=C(N[C@H]1CCCc2occc21)c1cccc(O)c1[O-] ZINC000186882735 262114207 /nfs/dbraw/zinc/11/42/07/262114207.db2.gz RWIQILIFYAWJPI-NSHDSACASA-N -1 3 273.288 2.498 20 10 CECDHM CCCCN(CCS(C)(=O)=O)Cc1ccccc1[O-] ZINC000282363240 263076162 /nfs/dbraw/zinc/07/61/62/263076162.db2.gz DKWTZMHYEBCOPG-UHFFFAOYSA-N -1 3 285.409 2.039 20 10 CECDHM CC[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1O ZINC000294148581 265000082 /nfs/dbraw/zinc/00/00/82/265000082.db2.gz HWRJLWMOYKWSPW-ISVAXAHUSA-N -1 3 273.735 2.387 20 10 CECDHM Cc1ccc(C(=O)N2CC[C@H](C3CC3)C2)c([O-])c1O ZINC000370360077 267312583 /nfs/dbraw/zinc/31/25/83/267312583.db2.gz QYNQGTDHNXLWDH-NSHDSACASA-N -1 3 261.321 2.278 20 10 CECDHM CCN(Cc1cc(F)cc(C(C)=O)c1[O-])CC(C)(C)O ZINC000092970689 327104018 /nfs/dbraw/zinc/10/40/18/327104018.db2.gz LGHJQISMNODLNH-UHFFFAOYSA-N -1 3 283.343 2.327 20 10 CECDHM COC(=O)[C@@H](CC(C)C)NCc1cc(F)ccc1[O-] ZINC000186412701 329342210 /nfs/dbraw/zinc/34/22/10/329342210.db2.gz BMIJAMJPPRRHIC-GFCCVEGCSA-N -1 3 269.316 2.209 20 10 CECDHM CCCC[C@@H](NCc1ccccc1[O-])C(=O)OC ZINC000083385013 330357441 /nfs/dbraw/zinc/35/74/41/330357441.db2.gz SQVRWILOESUVHA-GFCCVEGCSA-N -1 3 251.326 2.214 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000167858212 331308408 /nfs/dbraw/zinc/30/84/08/331308408.db2.gz GBQVITFSKDDJOC-KOLCDFICSA-N -1 3 297.782 2.451 20 10 CECDHM CCn1nncc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000529637478 333502337 /nfs/dbraw/zinc/50/23/37/333502337.db2.gz AZBAXCHZHRIGNE-UHFFFAOYSA-N -1 3 284.722 2.086 20 10 CECDHM CC(C)[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000279778173 519827681 /nfs/dbraw/zinc/82/76/81/519827681.db2.gz HDFMFNKDXKKDHA-ZWNOBZJWSA-N -1 3 279.336 2.031 20 10 CECDHM CCCCCNC(=O)CN(C)Cc1ccccc1[O-] ZINC000269661898 520190870 /nfs/dbraw/zinc/19/08/70/520190870.db2.gz UMXPCMQIGPKKPP-UHFFFAOYSA-N -1 3 264.369 2.130 20 10 CECDHM CCCCN(Cc1cnn(C)n1)Cc1ccccc1[O-] ZINC000289488669 520550681 /nfs/dbraw/zinc/55/06/81/520550681.db2.gz YTYDZQFSUFPDRK-UHFFFAOYSA-N -1 3 274.368 2.323 20 10 CECDHM CSCC[C@@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000126566741 525524367 /nfs/dbraw/zinc/52/43/67/525524367.db2.gz VZIDXPCSVOHZKO-SECBINFHSA-N -1 3 269.366 2.311 20 10 CECDHM C[C@@H](N[C@@H](C)c1cc(F)ccc1[O-])c1nncn1C ZINC000094617331 525603859 /nfs/dbraw/zinc/60/38/59/525603859.db2.gz SZGGYRKQBHWMMF-DTWKUNHWSA-N -1 3 264.304 2.072 20 10 CECDHM Cc1nnsc1CNCc1c([O-])cccc1Cl ZINC000291724076 526446664 /nfs/dbraw/zinc/44/66/64/526446664.db2.gz MYJZYSVLQGWDOC-UHFFFAOYSA-N -1 3 269.757 2.495 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCC(F)(F)[C@@H](CO)C1 ZINC000291272368 527619127 /nfs/dbraw/zinc/61/91/27/527619127.db2.gz NWZDAGSNKHUFKO-SECBINFHSA-N -1 3 291.725 2.495 20 10 CECDHM Cc1ncsc1CNC(=O)c1cc([O-])cs1 ZINC000732287011 574618020 /nfs/dbraw/zinc/61/80/20/574618020.db2.gz LUVUGKRVSBUDTR-UHFFFAOYSA-N -1 3 254.336 2.149 20 10 CECDHM O=C(c1cc([O-])cs1)N1CC(Oc2ccccc2)C1 ZINC000732284898 574618047 /nfs/dbraw/zinc/61/80/47/574618047.db2.gz HSXDVDBGGWDTDO-UHFFFAOYSA-N -1 3 275.329 2.357 20 10 CECDHM Cc1ncsc1CN(C)C(=O)c1cc([O-])cs1 ZINC000732290272 574618490 /nfs/dbraw/zinc/61/84/90/574618490.db2.gz MBCJGBSHSQGSIE-UHFFFAOYSA-N -1 3 268.363 2.491 20 10 CECDHM Cc1nc(COC(=O)c2cc([O-])cs2)oc1C ZINC000732353980 574619550 /nfs/dbraw/zinc/61/95/50/574619550.db2.gz MPESGVGLKTYYSY-UHFFFAOYSA-N -1 3 253.279 2.416 20 10 CECDHM Cc1noc([C@H](C)OC(=O)c2cc([O-])cs2)n1 ZINC000732354264 574619774 /nfs/dbraw/zinc/61/97/74/574619774.db2.gz IQSRCBWELIPSDE-YFKPBYRVSA-N -1 3 254.267 2.063 20 10 CECDHM Cc1ccccc1[C@H](O)CNC(=O)c1cc([O-])cs1 ZINC000732832146 574633185 /nfs/dbraw/zinc/63/31/85/574633185.db2.gz FQIMWJBOLWVEAA-GFCCVEGCSA-N -1 3 277.345 2.226 20 10 CECDHM CCOc1cccc(CNCc2ccc(C(=O)[O-])o2)c1O ZINC000737210890 574816447 /nfs/dbraw/zinc/81/64/47/574816447.db2.gz NTBQATUWTSNLNH-UHFFFAOYSA-N -1 3 291.303 2.372 20 10 CECDHM CC1(C)[C@H](NC(=O)c2cc([O-])cs2)[C@H]2CCCO[C@@H]21 ZINC000743658689 575108395 /nfs/dbraw/zinc/10/83/95/575108395.db2.gz BRXAWESJQPXNJG-JLLWLGSASA-N -1 3 281.377 2.387 20 10 CECDHM Cc1nc(C)c(CNC(=O)c2cc([O-])cs2)s1 ZINC000743674425 575108451 /nfs/dbraw/zinc/10/84/51/575108451.db2.gz KXWQCZOJANZISF-UHFFFAOYSA-N -1 3 268.363 2.457 20 10 CECDHM Cc1ncc(CNC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000751534532 575291539 /nfs/dbraw/zinc/29/15/39/575291539.db2.gz IRMVBYSTVOOYRG-UHFFFAOYSA-N -1 3 278.333 2.101 20 10 CECDHM Cc1nc(CNC(=O)c2cc([O-])cs2)ccc1[C@@H](C)O ZINC000753432982 575326323 /nfs/dbraw/zinc/32/63/23/575326323.db2.gz HLXZKXHHPOXDHZ-SECBINFHSA-N -1 3 292.360 2.140 20 10 CECDHM Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC000820976962 598182533 /nfs/dbraw/zinc/18/25/33/598182533.db2.gz YEWPDENRTBNJFZ-VIFPVBQESA-N -1 3 269.728 2.261 20 10 CECDHM Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC000820976962 598182534 /nfs/dbraw/zinc/18/25/34/598182534.db2.gz YEWPDENRTBNJFZ-VIFPVBQESA-N -1 3 269.728 2.261 20 10 CECDHM C[C@@H](C[C@@H]1CCCN1C(=O)[O-])[NH2+]Cc1ccccc1[O-] ZINC000824766014 605514817 /nfs/dbraw/zinc/51/48/17/605514817.db2.gz BAEYQXYHXYLWBS-AAEUAGOBSA-N -1 3 278.352 2.403 20 10 CECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nc2ccccc2[nH]1 ZINC000184774607 628736233 /nfs/dbraw/zinc/73/62/33/628736233.db2.gz STLPDRHBHQPBMV-VIFPVBQESA-N -1 3 297.314 2.465 20 10 CECDHM Cc1cc([O-])c(CN2CC(=O)N(C)[C@@H](C)C2)c(Cl)c1 ZINC000840942971 628802243 /nfs/dbraw/zinc/80/22/43/628802243.db2.gz NNVQCVOOVVQZPL-JTQLQIEISA-N -1 3 282.771 2.017 20 10 CECDHM CN(Cc1cnn(C)c1)Cc1cc(F)cc(F)c1[O-] ZINC000893909688 629042165 /nfs/dbraw/zinc/04/21/65/629042165.db2.gz RXONZCWGMQLAMU-UHFFFAOYSA-N -1 3 267.279 2.036 20 10 CECDHM C[C@@H]1[C@H](C)NC(=O)[C@H](C)N1Cc1cc(Cl)ccc1[O-] ZINC000895113739 629913831 /nfs/dbraw/zinc/91/38/31/629913831.db2.gz KDCPPPUASINNGI-AEJSXWLSSA-N -1 3 282.771 2.143 20 10 CECDHM COCCc1nsc(NCc2c([O-])cccc2F)n1 ZINC000895833458 630369798 /nfs/dbraw/zinc/36/97/98/630369798.db2.gz XLAWNLSXVSFAKQ-UHFFFAOYSA-N -1 3 283.328 2.184 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCOCC23CC3)c1[O-] ZINC000801980801 631373558 /nfs/dbraw/zinc/37/35/58/631373558.db2.gz AXRJPPFXYOZIJA-UHFFFAOYSA-N -1 3 279.311 2.099 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@H](O)[C@@H](F)C2)cc1Cl ZINC000898187329 632101238 /nfs/dbraw/zinc/10/12/38/632101238.db2.gz FFVNTXIVCLNDAZ-RYUDHWBXSA-N -1 3 273.735 2.259 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CCN(C)[C@H](C)C2)c1[O-] ZINC000110727314 632247280 /nfs/dbraw/zinc/24/72/80/632247280.db2.gz VZILWMSSDDRPBI-SNVBAGLBSA-N -1 3 296.798 2.384 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CNCc1cc[nH]n1 ZINC000816531918 633408752 /nfs/dbraw/zinc/40/87/52/633408752.db2.gz KNWHCWWFJLPAPP-UHFFFAOYSA-N -1 3 255.680 2.198 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@H](n2cncn2)C1 ZINC000816574450 633416119 /nfs/dbraw/zinc/41/61/19/633416119.db2.gz ICMKLEVMFKYMCG-JTQLQIEISA-N -1 3 296.733 2.223 20 10 CECDHM COC(=O)[C@H](C)NCc1ccc2ccccc2c1[O-] ZINC000816591313 633418242 /nfs/dbraw/zinc/41/82/42/633418242.db2.gz ACJTWNNIZYBDJR-JTQLQIEISA-N -1 3 259.305 2.197 20 10 CECDHM CC1(C)CN(Cc2c([O-])cccc2Cl)C[C@@H](CO)O1 ZINC000817413147 633651881 /nfs/dbraw/zinc/65/18/81/633651881.db2.gz UTVDXHXAEJKVQW-JTQLQIEISA-N -1 3 285.771 2.017 20 10 CECDHM C[C@@H](NCC(F)(F)CN)c1cc(Cl)ccc1[O-] ZINC000817965842 633808869 /nfs/dbraw/zinc/80/88/69/633808869.db2.gz DBUNOEGVUXANRJ-SSDOTTSWSA-N -1 3 264.703 2.290 20 10 CECDHM COC(=O)N1CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000824602268 635461651 /nfs/dbraw/zinc/46/16/51/635461651.db2.gz SSTAPMSUSAZAQZ-UHFFFAOYSA-N -1 3 298.770 2.238 20 10 CECDHM C[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CCS1 ZINC000834656750 637908150 /nfs/dbraw/zinc/90/81/50/637908150.db2.gz YKCKMIBKQCTXIV-DTWKUNHWSA-N -1 3 267.350 2.112 20 10 CECDHM CC1(C)CO[C@H](CNC(=O)NCc2c([O-])cccc2F)C1 ZINC000923969094 639277954 /nfs/dbraw/zinc/27/79/54/639277954.db2.gz WAMWXSVRBXTJEO-JTQLQIEISA-N -1 3 296.342 2.146 20 10 CECDHM Cc1cc([O-])c(CN(CC(N)=O)CC(C)C)c(Cl)c1 ZINC000840911200 639583386 /nfs/dbraw/zinc/58/33/86/639583386.db2.gz WZKVSGYPGRYMFX-UHFFFAOYSA-N -1 3 284.787 2.297 20 10 CECDHM Cc1cc([O-])c(CN2CCN3C(=O)CC[C@H]3C2)c(Cl)c1 ZINC000840913658 639584589 /nfs/dbraw/zinc/58/45/89/639584589.db2.gz ZRJIXOVVLGIJPH-NSHDSACASA-N -1 3 294.782 2.161 20 10 CECDHM COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]2(C)C(=O)[O-])c1[O-] ZINC000229119157 639677223 /nfs/dbraw/zinc/67/72/23/639677223.db2.gz DCSFJFXEPGBOJS-AWEZNQCLSA-N -1 3 299.754 2.493 20 10 CECDHM COc1cc(Cl)cc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c1[O-] ZINC000229119157 639677224 /nfs/dbraw/zinc/67/72/24/639677224.db2.gz DCSFJFXEPGBOJS-AWEZNQCLSA-N -1 3 299.754 2.493 20 10 CECDHM CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(F)c(F)c1[O-] ZINC000877145759 650593901 /nfs/dbraw/zinc/59/39/01/650593901.db2.gz BVWUZNQZRTXMMO-IUCAKERBSA-N -1 3 286.322 2.063 20 10 CECDHM C[C@@H]1C[C@@H](CNC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000921760347 642586553 /nfs/dbraw/zinc/58/65/53/642586553.db2.gz QEHBIYIYEQVNBK-MNOVXSKESA-N -1 3 296.342 2.146 20 10 CECDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1O ZINC000126577175 650778002 /nfs/dbraw/zinc/77/80/02/650778002.db2.gz IJZUXTLISIYOQB-UHFFFAOYSA-N -1 3 259.261 2.364 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCCSC1 ZINC000922491428 643096110 /nfs/dbraw/zinc/09/61/10/643096110.db2.gz MNKAZFQJOZQSSW-SNVBAGLBSA-N -1 3 298.383 2.474 20 10 CECDHM CCC[C@H](CNC(=O)NCc1c([O-])cccc1F)OC ZINC000922660408 643189485 /nfs/dbraw/zinc/18/94/85/643189485.db2.gz XGRSESMENYNNCY-SNVBAGLBSA-N -1 3 284.331 2.146 20 10 CECDHM CO[C@H]([C@H](C)NC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000922761695 643245802 /nfs/dbraw/zinc/24/58/02/643245802.db2.gz FQMAHJHAJZGIPH-LKFCYVNXSA-N -1 3 296.342 2.144 20 10 CECDHM C[C@@H]1C[C@@H](CNC(=O)NCc2c([O-])cccc2F)[C@@H](C)O1 ZINC000922891561 643337167 /nfs/dbraw/zinc/33/71/67/643337167.db2.gz LUVXTAJLIJHDKX-MXWKQRLJSA-N -1 3 296.342 2.144 20 10 CECDHM COCC1(CCNC(=O)NCc2c([O-])cccc2F)CC1 ZINC000923021876 643514414 /nfs/dbraw/zinc/51/44/14/643514414.db2.gz ZFPBINWSWZETLT-UHFFFAOYSA-N -1 3 296.342 2.147 20 10 CECDHM O=C1CN(Cc2ccccc2)[C@H](c2cc(F)ccc2[O-])N1 ZINC000112368775 644101918 /nfs/dbraw/zinc/10/19/18/644101918.db2.gz GXDLEEWGZALOMT-MRXNPFEDSA-N -1 3 286.306 2.162 20 10 CECDHM COc1ccc(O)c(CNC(=O)c2ccccc2[O-])c1 ZINC000114542828 644700875 /nfs/dbraw/zinc/70/08/75/644700875.db2.gz BPMWKACIODQPBJ-UHFFFAOYSA-N -1 3 273.288 2.036 20 10 CECDHM CC(C)C[C@@H](C(=O)[O-])[N@H+](C)Cc1ccccc1[O-] ZINC000863526038 646747294 /nfs/dbraw/zinc/74/72/94/646747294.db2.gz JMWZSGGTDIHCTL-LBPRGKRZSA-N -1 3 251.326 2.323 20 10 CECDHM CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[O-] ZINC000863526038 646747295 /nfs/dbraw/zinc/74/72/95/646747295.db2.gz JMWZSGGTDIHCTL-LBPRGKRZSA-N -1 3 251.326 2.323 20 10 CECDHM COc1c([O-])c(CN2CC[C@@H](C)[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000775058643 646920894 /nfs/dbraw/zinc/92/08/94/646920894.db2.gz VUYPUEZRLUGKGT-KOLCDFICSA-N -1 3 298.314 2.489 20 10 CECDHM C[C@H](NCc1cc(Cl)ccc1[O-])c1ncnn1C ZINC000788971615 648239522 /nfs/dbraw/zinc/23/95/22/648239522.db2.gz PYYYVLZFYCHQDO-QMMMGPOBSA-N -1 3 266.732 2.025 20 10 CECDHM C[C@H](COc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000790554660 648429746 /nfs/dbraw/zinc/42/97/46/648429746.db2.gz KCXFDSGGTUTHJG-LLVKDONJSA-N -1 3 287.315 2.295 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCc2c(F)cccc2C1 ZINC000790906938 648460058 /nfs/dbraw/zinc/46/00/58/648460058.db2.gz ZPVUPRSUTRQVFL-UHFFFAOYSA-N -1 3 287.290 2.435 20 10 CECDHM O=C(N[C@H](CCO)c1cccs1)c1cccc(O)c1[O-] ZINC000790907656 648460271 /nfs/dbraw/zinc/46/02/71/648460271.db2.gz JUZUKSFVHPRZBW-SNVBAGLBSA-N -1 3 293.344 2.013 20 10 CECDHM CC(C)O[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000790934204 648461684 /nfs/dbraw/zinc/46/16/84/648461684.db2.gz HULBFKDSXQGKJV-STQMWFEESA-N -1 3 293.363 2.420 20 10 CECDHM O=C(N[C@@H](C1CCC1)[C@@H]1CCOC1)c1cccc(O)c1[O-] ZINC000871304035 649059867 /nfs/dbraw/zinc/05/98/67/649059867.db2.gz XPPZILUNGLTWBE-RISCZKNCSA-N -1 3 291.347 2.033 20 10 CECDHM O=C([O-])[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000701548583 809442516 /nfs/dbraw/zinc/44/25/16/809442516.db2.gz JBADHVNPCHHDQZ-DOMZBBRYSA-N -1 3 261.321 2.079 20 10 CECDHM O=C([O-])[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000701548583 809442521 /nfs/dbraw/zinc/44/25/21/809442521.db2.gz JBADHVNPCHHDQZ-DOMZBBRYSA-N -1 3 261.321 2.079 20 10 CECDHM CN(Cc1c([O-])cccc1Br)[C@H]1CCOC1 ZINC000707134675 809880927 /nfs/dbraw/zinc/88/09/27/809880927.db2.gz JNQJNMNNYIHJOH-VIFPVBQESA-N -1 3 286.169 2.375 20 10 CECDHM CN(C)c1ncccc1CNCc1cc(F)cc(F)c1[O-] ZINC001119344357 810426641 /nfs/dbraw/zinc/42/66/41/810426641.db2.gz KACCQAYWFNGVOT-UHFFFAOYSA-N -1 3 293.317 2.421 20 10 CECDHM CN(C(=O)c1cccc(O)c1[O-])c1nc(Cl)ccc1N ZINC001148212248 814536524 /nfs/dbraw/zinc/53/65/24/814536524.db2.gz SZIGTBHXKJVLSI-UHFFFAOYSA-N -1 3 293.710 2.005 20 10 CECDHM O=C(Nc1cc(-c2ccncc2)no1)c1cccc(O)c1[O-] ZINC001148212156 814537009 /nfs/dbraw/zinc/53/70/09/814537009.db2.gz OYBKNZDXWKBGOE-UHFFFAOYSA-N -1 3 297.270 2.400 20 10 CECDHM Cc1csc(NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148580576 814590294 /nfs/dbraw/zinc/59/02/94/814590294.db2.gz HYKKUPBVPLXKND-UHFFFAOYSA-N -1 3 265.290 2.426 20 10 CECDHM O=C(NC1CC2(C1)CC(F)(F)C2)c1cc(O)c([O-])c(O)c1 ZINC001148591063 814591564 /nfs/dbraw/zinc/59/15/64/814591564.db2.gz SKBNOGDYYLNQJG-UHFFFAOYSA-N -1 3 299.273 2.111 20 10 CECDHM O=S(=O)([N-]c1ccc(O)cc1F)c1ccsc1 ZINC000714379098 814889250 /nfs/dbraw/zinc/88/92/50/814889250.db2.gz ZUDPEONEHZMAHU-UHFFFAOYSA-N -1 3 273.310 2.394 20 10 CECDHM [O-]c1cccc(F)c1CN1CCc2ncccc2C1 ZINC001137837595 815693496 /nfs/dbraw/zinc/69/34/96/815693496.db2.gz MWQQUMZALDBHEY-UHFFFAOYSA-N -1 3 258.296 2.485 20 10 CECDHM COC(=O)C[C@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686170 816084126 /nfs/dbraw/zinc/08/41/26/816084126.db2.gz PTTPCMFSFJWLCX-SNVBAGLBSA-N -1 3 299.317 2.446 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CCC[C@]2(CCO2)C1 ZINC001139686261 816084433 /nfs/dbraw/zinc/08/44/33/816084433.db2.gz ROSAREMGXKMLKW-AWEZNQCLSA-N -1 3 269.291 2.425 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001140339792 816238669 /nfs/dbraw/zinc/23/86/69/816238669.db2.gz YKDYHIUEJJVANL-PSOPSSQASA-N -1 3 297.782 2.017 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCC2(CC1)OCCO2 ZINC001140580691 816291360 /nfs/dbraw/zinc/29/13/60/816291360.db2.gz CUIOEBISVUWXMD-UHFFFAOYSA-N -1 3 285.290 2.009 20 10 CECDHM COC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524699 816679358 /nfs/dbraw/zinc/67/93/58/816679358.db2.gz HLEIXHOXGNBSQC-ZJUUUORDSA-N -1 3 299.317 2.444 20 10 CECDHM Cc1ccc([C@H](C)N[C@@H](C)c2nncn2C)c([O-])c1 ZINC000037016329 361882972 /nfs/dbraw/zinc/88/29/72/361882972.db2.gz XQLGGOPIOYJTTG-QWRGUYRKSA-N -1 3 260.341 2.241 20 10 CECDHM C[C@H]1CCCN(C(=O)CN(C)Cc2ccccc2[O-])C1 ZINC000111236479 364726167 /nfs/dbraw/zinc/72/61/67/364726167.db2.gz RPFFRVNXDPJMMV-ZDUSSCGKSA-N -1 3 276.380 2.083 20 10 CECDHM COC[C@H]1CN(Cc2cc(Cl)cc(C)c2[O-])CCO1 ZINC000180328078 368376287 /nfs/dbraw/zinc/37/62/87/368376287.db2.gz BYOCGPIXDNYVJY-CYBMUJFWSA-N -1 3 285.771 2.201 20 10 CECDHM O=C(NCCCOC1CCCC1)c1cccc(O)c1[O-] ZINC000188320022 369338780 /nfs/dbraw/zinc/33/87/80/369338780.db2.gz ZCKNEFOQWWDMRV-UHFFFAOYSA-N -1 3 279.336 2.177 20 10 CECDHM CCN(Cc1cc(F)ccc1[O-])C[C@H](O)C(F)(F)F ZINC000189880063 369575799 /nfs/dbraw/zinc/57/57/99/369575799.db2.gz WTFYOCGXODQDBT-NSHDSACASA-N -1 3 281.249 2.276 20 10 CECDHM CCN1CCCN(Cc2cc(Cl)ccc2[O-])CC1=O ZINC000191538033 369721556 /nfs/dbraw/zinc/72/15/56/369721556.db2.gz XWPXEGQQXDOVDL-UHFFFAOYSA-N -1 3 282.771 2.100 20 10 CECDHM C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cn[nH]c1 ZINC000273532001 296158792 /nfs/dbraw/zinc/15/87/92/296158792.db2.gz WMIBIIURXLJGQY-RKDXNWHRSA-N -1 3 276.296 2.435 20 10 CECDHM CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H]1O ZINC000270835112 372973676 /nfs/dbraw/zinc/97/36/76/372973676.db2.gz DDYJJRNICYVRPI-QMTHXVAHSA-N -1 3 297.782 2.451 20 10 CECDHM Cc1cccc2c1OC[C@H](NC(=O)c1cccc(O)c1[O-])C2 ZINC000366288711 373024485 /nfs/dbraw/zinc/02/44/85/373024485.db2.gz QTCHZVTZCHQUFB-GFCCVEGCSA-N -1 3 299.326 2.140 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CCC(CO)CC1 ZINC000271710923 373197923 /nfs/dbraw/zinc/19/79/23/373197923.db2.gz AVJNGEGIIDCNLS-UHFFFAOYSA-N -1 3 255.745 2.250 20 10 CECDHM COC(=O)[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000271732875 373200863 /nfs/dbraw/zinc/20/08/63/373200863.db2.gz NOQYLLBNJINMBZ-SNVBAGLBSA-N -1 3 269.728 2.041 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCCC2(CCOCC2)C1 ZINC000278887819 374838900 /nfs/dbraw/zinc/83/89/00/374838900.db2.gz HNPTYJPKVLXLJI-UHFFFAOYSA-N -1 3 291.347 2.131 20 10 CECDHM Cn1cc2c(n1)CCC[C@@H]2NCc1cccc(F)c1[O-] ZINC000283183511 375670052 /nfs/dbraw/zinc/67/00/52/375670052.db2.gz ZWWQBRBJJXHGQI-ZDUSSCGKSA-N -1 3 275.327 2.432 20 10 CECDHM CC[C@@H](NCC(=O)N(C)CC)c1ccc(F)cc1[O-] ZINC000287470239 376240534 /nfs/dbraw/zinc/24/05/34/376240534.db2.gz MICRQDDGUSWFEF-GFCCVEGCSA-N -1 3 268.332 2.050 20 10 CECDHM COc1c([O-])c(CN2CC[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000294962958 378033192 /nfs/dbraw/zinc/03/31/92/378033192.db2.gz FAKAKJBXKKZBBE-SNVBAGLBSA-N -1 3 298.364 2.246 20 10 CECDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295254702 378072790 /nfs/dbraw/zinc/07/27/90/378072790.db2.gz GIDNVBRWNXMEHP-MRVPVSSYSA-N -1 3 287.718 2.180 20 10 CECDHM Cc1ccc(C(=O)NCCc2ncccc2C)c([O-])c1O ZINC000296987261 378659939 /nfs/dbraw/zinc/65/99/39/378659939.db2.gz LGLINYZPIULOBU-UHFFFAOYSA-N -1 3 286.331 2.082 20 10 CECDHM CCOC[C@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000529667138 380183738 /nfs/dbraw/zinc/18/37/38/380183738.db2.gz RCOZWSVLHPADEE-LLVKDONJSA-N -1 3 285.771 2.283 20 10 CECDHM C[C@H](C(=O)NC1CCCC1)N(C)Cc1ccccc1[O-] ZINC000109773410 394734914 /nfs/dbraw/zinc/73/49/14/394734914.db2.gz BFYANOCTDQCURM-GFCCVEGCSA-N -1 3 276.380 2.271 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCN(c2ccccn2)CC1 ZINC000139744598 394972682 /nfs/dbraw/zinc/97/26/82/394972682.db2.gz XUKFFTPDMPYLRU-UHFFFAOYSA-N -1 3 287.338 2.249 20 10 CECDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CC[S@](=O)C1 ZINC000375950183 395106167 /nfs/dbraw/zinc/10/61/67/395106167.db2.gz ZWZBSUYJWDCDMM-MGNBDDOMSA-N -1 3 287.812 2.246 20 10 CECDHM [O-]c1ccccc1CN(CCCO)CC(F)(F)F ZINC000179569422 395196820 /nfs/dbraw/zinc/19/68/20/395196820.db2.gz CDXDZMQMUQNLLQ-UHFFFAOYSA-N -1 3 263.259 2.139 20 10 CECDHM C[C@H]1CN=C(N2CCN(Cc3ccccc3[O-])CC2)S1 ZINC000179580005 395196967 /nfs/dbraw/zinc/19/69/67/395196967.db2.gz JHYRBPCEXMLIGX-LBPRGKRZSA-N -1 3 291.420 2.001 20 10 CECDHM CO[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000175634350 261238951 /nfs/dbraw/zinc/23/89/51/261238951.db2.gz UBKGYGOJKBUYGL-ZDUSSCGKSA-N -1 3 281.327 2.345 20 10 CECDHM CN(C)C(=O)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000162609229 261288454 /nfs/dbraw/zinc/28/84/54/261288454.db2.gz VCDZZXJHTMKHNV-UHFFFAOYSA-N -1 3 296.798 2.346 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCn2nc(C)nc2C1 ZINC000366677778 288167580 /nfs/dbraw/zinc/16/75/80/288167580.db2.gz FYACOIVAOJILKV-CYBMUJFWSA-N -1 3 272.352 2.259 20 10 CECDHM C[C@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])C(=O)N1CCCC1 ZINC000281497436 289994359 /nfs/dbraw/zinc/99/43/59/289994359.db2.gz GOQKINUQSVALRK-UWVGGRQHSA-N -1 3 298.333 2.332 20 10 CECDHM COc1cc(Cl)cc(CN[C@H](C)c2ncnn2C)c1[O-] ZINC000276470757 328218758 /nfs/dbraw/zinc/21/87/58/328218758.db2.gz MSNSRGKJZSZAQM-MRVPVSSYSA-N -1 3 296.758 2.034 20 10 CECDHM CCC1(CNC(=O)c2cccc(O)c2[O-])CCOCC1 ZINC000279056380 327533704 /nfs/dbraw/zinc/53/37/04/327533704.db2.gz BMOLQZHGMYDZAV-UHFFFAOYSA-N -1 3 279.336 2.034 20 10 CECDHM CCn1ncc(CN[C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)n1 ZINC000527922425 330295991 /nfs/dbraw/zinc/29/59/91/330295991.db2.gz GIGFOFMCJJMEQM-BXKDBHETSA-N -1 3 290.342 2.481 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)C(C)(C)C2)c1[O-] ZINC000279695168 518277025 /nfs/dbraw/zinc/27/70/25/518277025.db2.gz GKXKKKSHSIEXFD-CYBMUJFWSA-N -1 3 297.782 2.451 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC([C@@H](C)O)CC2)c1[O-] ZINC000079433948 518283356 /nfs/dbraw/zinc/28/33/56/518283356.db2.gz XVDODVLSCFOBAF-SNVBAGLBSA-N -1 3 295.354 2.327 20 10 CECDHM CCCCN(CCO)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000050144948 520523452 /nfs/dbraw/zinc/52/34/52/520523452.db2.gz ZGASRMKRIGPLDG-UHFFFAOYSA-N -1 3 283.343 2.328 20 10 CECDHM COC(=O)[C@@H](CC(F)(F)F)NCc1cc(F)ccc1[O-] ZINC000276548580 523568333 /nfs/dbraw/zinc/56/83/33/523568333.db2.gz YTTDSMNCUPRHEF-SECBINFHSA-N -1 3 295.232 2.115 20 10 CECDHM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1ncnn1C ZINC000276642049 525609626 /nfs/dbraw/zinc/60/96/26/525609626.db2.gz OWOAHINPMHRDGC-DTWKUNHWSA-N -1 3 264.304 2.072 20 10 CECDHM [O-]c1ccccc1CN1CCOC[C@H]1CC(F)F ZINC000289631942 526371317 /nfs/dbraw/zinc/37/13/17/526371317.db2.gz MBQWSTNBKDCQIF-LLVKDONJSA-N -1 3 257.280 2.248 20 10 CECDHM CCOc1ccc(CN[C@H](C)c2nc(C)no2)c([O-])c1 ZINC000729684414 574490627 /nfs/dbraw/zinc/49/06/27/574490627.db2.gz OYZUELPWPJATPH-SECBINFHSA-N -1 3 277.324 2.333 20 10 CECDHM O=C(OCC(=O)c1ccccc1)c1cc([O-])cs1 ZINC000731909173 574605690 /nfs/dbraw/zinc/60/56/90/574605690.db2.gz BSUKICRLRHOITF-UHFFFAOYSA-N -1 3 262.286 2.493 20 10 CECDHM O=C(NCCc1ccc2c(c1)OCO2)c1cc([O-])cs1 ZINC000732258242 574617741 /nfs/dbraw/zinc/61/77/41/574617741.db2.gz OJCVUAOGUODIEM-UHFFFAOYSA-N -1 3 291.328 2.155 20 10 CECDHM CC(C)(C)c1nc(COC(=O)c2cc([O-])cs2)no1 ZINC000732354838 574619745 /nfs/dbraw/zinc/61/97/45/574619745.db2.gz SWPALFUVLHJLJY-UHFFFAOYSA-N -1 3 282.321 2.491 20 10 CECDHM C[C@H](NC(=O)c1cc([O-])cs1)C(=O)Nc1ccccc1 ZINC000732578485 574623602 /nfs/dbraw/zinc/62/36/02/574623602.db2.gz PHGQSYOXPDKOOA-VIFPVBQESA-N -1 3 290.344 2.211 20 10 CECDHM COC(C)(C)C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000743697618 575108855 /nfs/dbraw/zinc/10/88/55/575108855.db2.gz HBNYONMCWYVGEC-QMMMGPOBSA-N -1 3 257.355 2.387 20 10 CECDHM O=C(Nc1ccn(CC(F)F)n1)c1cc([O-])cs1 ZINC000748859341 575199729 /nfs/dbraw/zinc/19/97/29/575199729.db2.gz JUWKVQYEXKTPEK-UHFFFAOYSA-N -1 3 273.264 2.168 20 10 CECDHM CN(C)c1ccc(CN(C)C(=O)c2ccc(N)cc2[O-])cc1 ZINC000752465382 575310474 /nfs/dbraw/zinc/31/04/74/575310474.db2.gz DKMGATKWTYNQNA-UHFFFAOYSA-N -1 3 299.374 2.313 20 10 CECDHM CN(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccccc1O ZINC000833696805 605105481 /nfs/dbraw/zinc/10/54/81/605105481.db2.gz UPVNSTXMDDJGIK-UHFFFAOYSA-N -1 3 260.293 2.051 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CCN(C2CCC2)CC1 ZINC000894025895 629094091 /nfs/dbraw/zinc/09/40/91/629094091.db2.gz ZYLPUFBZQBAINN-UHFFFAOYSA-N -1 3 282.334 2.341 20 10 CECDHM Cn1ncc2c1CCCN(Cc1cc(F)cc(F)c1[O-])C2 ZINC000894988403 629786503 /nfs/dbraw/zinc/78/65/03/629786503.db2.gz ZYMZFUNZSCYTCV-UHFFFAOYSA-N -1 3 293.317 2.352 20 10 CECDHM COCc1nsc(NCc2c([O-])cccc2F)n1 ZINC000895832168 630369859 /nfs/dbraw/zinc/36/98/59/630369859.db2.gz CWWYYNMFZLWFFO-UHFFFAOYSA-N -1 3 269.301 2.141 20 10 CECDHM CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c([O-])c1 ZINC000818631025 633966616 /nfs/dbraw/zinc/96/66/16/633966616.db2.gz AGOMPPBHQCUDRM-ABAIWWIYSA-N -1 3 293.363 2.476 20 10 CECDHM CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c([O-])c1 ZINC000818631025 633966621 /nfs/dbraw/zinc/96/66/21/633966621.db2.gz AGOMPPBHQCUDRM-ABAIWWIYSA-N -1 3 293.363 2.476 20 10 CECDHM C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631659 633967941 /nfs/dbraw/zinc/96/79/41/633967941.db2.gz MHQDYYGGBCFASS-RNCFNFMXSA-N -1 3 267.300 2.216 20 10 CECDHM C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631659 633967945 /nfs/dbraw/zinc/96/79/45/633967945.db2.gz MHQDYYGGBCFASS-RNCFNFMXSA-N -1 3 267.300 2.216 20 10 CECDHM O=C(Nc1cc2c(cn1)CCC2)c1cccc(O)c1[O-] ZINC000818983177 634029672 /nfs/dbraw/zinc/02/96/72/634029672.db2.gz RQOBXIXNXGAZJW-UHFFFAOYSA-N -1 3 270.288 2.234 20 10 CECDHM Cc1cc([O-])c(CN2CCO[C@@]3(CCOC3)C2)cc1Cl ZINC000825536514 635656805 /nfs/dbraw/zinc/65/68/05/635656805.db2.gz KCJXPKZTEHDGBF-HNNXBMFYSA-N -1 3 297.782 2.345 20 10 CECDHM O=C1CCC2=C(CCN(Cc3cccc(Cl)c3[O-])C2)N1 ZINC000826785501 635846483 /nfs/dbraw/zinc/84/64/83/635846483.db2.gz VAKJPOGBTGZZBP-UHFFFAOYSA-N -1 3 292.766 2.415 20 10 CECDHM CN(Cc1c([O-])ccc(Cl)c1F)C1(CO)CC1 ZINC000827903480 636456787 /nfs/dbraw/zinc/45/67/87/636456787.db2.gz IHQKMOBXOMFZCO-UHFFFAOYSA-N -1 3 259.708 2.141 20 10 CECDHM O=C(NCc1c([O-])cccc1F)[C@@]12CCO[C@@H]1CCCC2 ZINC000830179689 637001332 /nfs/dbraw/zinc/00/13/32/637001332.db2.gz BRSGATLYQVTAEB-ZBFHGGJFSA-N -1 3 293.338 2.497 20 10 CECDHM [O-]c1c(CN2CCN(CC3CC3)CC2)ccc(F)c1F ZINC000876610761 650358254 /nfs/dbraw/zinc/35/82/54/650358254.db2.gz HUSIHMOOLCWDTK-UHFFFAOYSA-N -1 3 282.334 2.198 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000836884444 638735609 /nfs/dbraw/zinc/73/56/09/638735609.db2.gz FWGULYOLKMTTJQ-JSGCOSHPSA-N -1 3 273.332 2.358 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@]2(CCSC2)C1 ZINC000837100484 639047716 /nfs/dbraw/zinc/04/77/16/639047716.db2.gz WPZXMPTXCNXEEW-HNNXBMFYSA-N -1 3 293.388 2.457 20 10 CECDHM COC[C@H]1CN(Cc2c([O-])cc(C)cc2Cl)CCO1 ZINC000840917420 639586195 /nfs/dbraw/zinc/58/61/95/639586195.db2.gz KBJUHCWAFMRMBX-LLVKDONJSA-N -1 3 285.771 2.201 20 10 CECDHM CC(C)NC(=O)[C@@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000840974333 639606375 /nfs/dbraw/zinc/60/63/75/639606375.db2.gz GRORPQNOEGVUFH-MRVPVSSYSA-N -1 3 288.750 2.187 20 10 CECDHM CCOc1ccc(C[N@@H+](CC(=O)[O-])CC2CC2)c([O-])c1 ZINC000844936026 640871189 /nfs/dbraw/zinc/87/11/89/640871189.db2.gz MGJKFEHDGSMLBA-UHFFFAOYSA-N -1 3 279.336 2.088 20 10 CECDHM CCOc1ccc(C[N@H+](CC(=O)[O-])CC2CC2)c([O-])c1 ZINC000844936026 640871192 /nfs/dbraw/zinc/87/11/92/640871192.db2.gz MGJKFEHDGSMLBA-UHFFFAOYSA-N -1 3 279.336 2.088 20 10 CECDHM CC(C)(C)CCS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452375 641285478 /nfs/dbraw/zinc/28/54/78/641285478.db2.gz NFOUQHUOZLLULN-UHFFFAOYSA-N -1 3 289.372 2.387 20 10 CECDHM Cc1ccc(C(=O)Nc2cccc(CO)c2)c([O-])c1O ZINC000181778900 641590706 /nfs/dbraw/zinc/59/07/06/641590706.db2.gz UQUCOESONWOFJS-UHFFFAOYSA-N -1 3 273.288 2.151 20 10 CECDHM CN(Cc1ccccc1O)C(=O)c1ccc(O)cc1[O-] ZINC000182610946 641684966 /nfs/dbraw/zinc/68/49/66/641684966.db2.gz XRPGROCRCHPONB-UHFFFAOYSA-N -1 3 273.288 2.076 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCC=CO1 ZINC000922109023 642883052 /nfs/dbraw/zinc/88/30/52/642883052.db2.gz BTIICELGMPMFAU-SNVBAGLBSA-N -1 3 280.299 2.023 20 10 CECDHM [O-]c1c(CN2CC3(C2)CCCOC3)ccc(F)c1F ZINC000877580539 650799282 /nfs/dbraw/zinc/79/92/82/650799282.db2.gz MXAGQDBPOGVSDD-UHFFFAOYSA-N -1 3 269.291 2.283 20 10 CECDHM CC(=O)NC[C@@H]1CCCCN1Cc1ccc(F)c(F)c1[O-] ZINC000877674964 650845752 /nfs/dbraw/zinc/84/57/52/650845752.db2.gz OPNWCAHGEYGMDS-LBPRGKRZSA-N -1 3 298.333 2.161 20 10 CECDHM C[C@H]1CCC[C@@H](CNC(=O)NCc2c([O-])cccc2F)O1 ZINC000923285568 643639818 /nfs/dbraw/zinc/63/98/18/643639818.db2.gz HTWHAIBOAVLXRG-QWRGUYRKSA-N -1 3 296.342 2.288 20 10 CECDHM CN(CC(=O)NC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000120670072 647400343 /nfs/dbraw/zinc/40/03/43/647400343.db2.gz YBXCTTYMIBXYMI-UHFFFAOYSA-N -1 3 284.787 2.392 20 10 CECDHM Cc1ccc(C(=O)Nc2cccc3c2OCO3)c([O-])c1O ZINC000782829400 647659077 /nfs/dbraw/zinc/65/90/77/647659077.db2.gz UAKZZPCZVFYHCP-UHFFFAOYSA-N -1 3 287.271 2.387 20 10 CECDHM COC(=O)[C@@H](NCc1cc(Cl)ccc1[O-])C1CC1 ZINC000789573821 648318159 /nfs/dbraw/zinc/31/81/59/648318159.db2.gz PXNPMRZSODWFNK-LBPRGKRZSA-N -1 3 269.728 2.087 20 10 CECDHM O=C(Nc1ncc(Cl)s1)c1cccc(O)c1[O-] ZINC000790787728 648447749 /nfs/dbraw/zinc/44/77/49/648447749.db2.gz LGNPKXWGEMSSPA-UHFFFAOYSA-N -1 3 270.697 2.460 20 10 CECDHM COC1CCC(CCNC(=O)c2cccc(O)c2[O-])CC1 ZINC000790930739 648461984 /nfs/dbraw/zinc/46/19/84/648461984.db2.gz CNYRQQJOMQDAID-UHFFFAOYSA-N -1 3 293.363 2.423 20 10 CECDHM Cc1ccc(C(=O)Nc2cn(C)nc2C2CC2)c([O-])c1O ZINC000794528952 648878552 /nfs/dbraw/zinc/87/85/52/648878552.db2.gz QJWYVTRGSKHARP-UHFFFAOYSA-N -1 3 287.319 2.269 20 10 CECDHM CC(C)(C)c1nnc(CNCc2cc(F)cc(F)c2[O-])[nH]1 ZINC000883143991 652377418 /nfs/dbraw/zinc/37/74/18/652377418.db2.gz BFKKGWRVJJVQOP-UHFFFAOYSA-N -1 3 296.321 2.376 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@]2(CCCO2)C1 ZINC001142508780 806607625 /nfs/dbraw/zinc/60/76/25/806607625.db2.gz LGKZAZOTAZAACQ-AWEZNQCLSA-N -1 3 269.291 2.425 20 10 CECDHM [O-]c1cc(F)c(F)cc1CNc1n[nH]c2c1COCC2 ZINC001207536179 804118437 /nfs/dbraw/zinc/11/84/37/804118437.db2.gz RBWUDDDIJDNMJG-UHFFFAOYSA-N -1 3 281.262 2.078 20 10 CECDHM [O-]c1c(F)cc(Cl)cc1CN1C[C@@H]2CCO[C@@H]2C1 ZINC001237622322 808234654 /nfs/dbraw/zinc/23/46/54/808234654.db2.gz QOBMQYLUPAWIIF-QPUJVOFHSA-N -1 3 271.719 2.405 20 10 CECDHM CC(=O)C1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137837820 809782798 /nfs/dbraw/zinc/78/27/98/809782798.db2.gz VXNHSFUPBMDKKG-UHFFFAOYSA-N -1 3 251.301 2.332 20 10 CECDHM C[C@H](NCc1cc(Cl)ccc1[O-])c1ncn(C)n1 ZINC000391879878 813291877 /nfs/dbraw/zinc/29/18/77/813291877.db2.gz VFAONPDCINIBPI-QMMMGPOBSA-N -1 3 266.732 2.025 20 10 CECDHM COc1cc(Cl)ncc1NC(=O)c1cccc(O)c1[O-] ZINC001148212357 814536317 /nfs/dbraw/zinc/53/63/17/814536317.db2.gz YADFWEMHZPJELV-UHFFFAOYSA-N -1 3 294.694 2.407 20 10 CECDHM [O-]c1cccc(F)c1CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC001137832790 815692348 /nfs/dbraw/zinc/69/23/48/815692348.db2.gz HUOMGOFINHYMJA-GFCCVEGCSA-N -1 3 293.260 2.278 20 10 CECDHM CC(C)[C@@H]1COCCN1Cc1cccc(F)c1[O-] ZINC001138128332 815734543 /nfs/dbraw/zinc/73/45/43/815734543.db2.gz DCNWOZQDCPLVCL-ZDUSSCGKSA-N -1 3 253.317 2.388 20 10 CECDHM CC(=O)[C@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685918 816081693 /nfs/dbraw/zinc/08/16/93/816081693.db2.gz FJXXXMCDDYKRHA-JTQLQIEISA-N -1 3 269.291 2.471 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CCC(n2cnnc2)CC1 ZINC001139686291 816084563 /nfs/dbraw/zinc/08/45/63/816084563.db2.gz SLUBKTWUIGTVFV-UHFFFAOYSA-N -1 3 294.305 2.099 20 10 CECDHM COC(=O)CCN(Cc1c(F)ccc(F)c1[O-])C1CC1 ZINC001139686912 816084648 /nfs/dbraw/zinc/08/46/48/816084648.db2.gz IFZHCOFHDLYVON-UHFFFAOYSA-N -1 3 285.290 2.198 20 10 CECDHM COC(=O)[C@H]1CCCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139689290 816086213 /nfs/dbraw/zinc/08/62/13/816086213.db2.gz HTCWPOQKMPETKT-JTQLQIEISA-N -1 3 299.317 2.446 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@H](n2ccnn2)C1 ZINC001142531281 816681663 /nfs/dbraw/zinc/68/16/63/816681663.db2.gz RSTVMVITYUZXAO-NSHDSACASA-N -1 3 294.305 2.099 20 10 CECDHM CC[C@@H](N[C@H](C)c1nncn1C)c1ccccc1[O-] ZINC000037016937 361884677 /nfs/dbraw/zinc/88/46/77/361884677.db2.gz QNAIQPLCZIJGER-ZYHUDNBSSA-N -1 3 260.341 2.323 20 10 CECDHM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(F)ccc3[O-])[C@H]2C1 ZINC000246063146 344613747 /nfs/dbraw/zinc/61/37/47/344613747.db2.gz ZHQBDFUDNPYIQU-YCPHGPKFSA-N -1 3 295.354 2.300 20 10 CECDHM O=C1NC[C@@]2(CCCN(Cc3cc(Cl)ccc3[O-])C2)O1 ZINC000372689040 344818836 /nfs/dbraw/zinc/81/88/36/344818836.db2.gz JIGRJSFZWWUZFU-CQSZACIVSA-N -1 3 296.754 2.120 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2C2CC2)c1[O-] ZINC000090007401 364032397 /nfs/dbraw/zinc/03/23/97/364032397.db2.gz AXFVEDGZAXPIOJ-OAHLLOKOSA-N -1 3 293.338 2.345 20 10 CECDHM Cc1cc(Cl)cc(CN2CCC[C@@H]2C(=O)N(C)C)c1[O-] ZINC000179637760 368347324 /nfs/dbraw/zinc/34/73/24/368347324.db2.gz KISJMOUQZHSGOR-CYBMUJFWSA-N -1 3 296.798 2.407 20 10 CECDHM O=C(NC[C@@H]1OCCc2ccccc21)c1cccc(O)c1[O-] ZINC000366162170 372995555 /nfs/dbraw/zinc/99/55/55/372995555.db2.gz VUEJZWUSKIPAAD-HNNXBMFYSA-N -1 3 299.326 2.142 20 10 CECDHM Cc1ccccc1[C@H]1C(=O)NCCN1Cc1ccccc1[O-] ZINC000368119970 373221050 /nfs/dbraw/zinc/22/10/50/373221050.db2.gz LSZXIHBBJNXBAY-KRWDZBQOSA-N -1 3 296.370 2.374 20 10 CECDHM COCC1(O)CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000271839818 373204047 /nfs/dbraw/zinc/20/40/47/373204047.db2.gz QARCEZVPLNFOAP-UHFFFAOYSA-N -1 3 285.771 2.019 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCO[C@H]2CCC[C@H]21 ZINC000272252232 373386495 /nfs/dbraw/zinc/38/64/95/373386495.db2.gz IOAPSYCCMZFNFY-OCCSQVGLSA-N -1 3 251.301 2.285 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCN(Cc2ccco2)CC1 ZINC000272339486 373436524 /nfs/dbraw/zinc/43/65/24/373436524.db2.gz YHDYQTKQPFOFCN-UHFFFAOYSA-N -1 3 290.338 2.442 20 10 CECDHM CCN(CC(F)(F)F)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272709384 373625999 /nfs/dbraw/zinc/62/59/99/373625999.db2.gz CHPMFXRPWOFSTC-UHFFFAOYSA-N -1 3 277.242 2.431 20 10 CECDHM CO[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000371687536 373950297 /nfs/dbraw/zinc/95/02/97/373950297.db2.gz YZXRHRLTFSTBOG-LLVKDONJSA-N -1 3 279.336 2.047 20 10 CECDHM Cc1ccc(C(=O)NCCSC(C)C)c([O-])c1O ZINC000286587213 376004981 /nfs/dbraw/zinc/00/49/81/376004981.db2.gz DBIUWSATXFUUKD-UHFFFAOYSA-N -1 3 269.366 2.278 20 10 CECDHM COC1(CCNC(=O)c2ccc(C)c(O)c2[O-])CCC1 ZINC000294027662 377876311 /nfs/dbraw/zinc/87/63/11/377876311.db2.gz ZYOFPFJVXPZKQW-UHFFFAOYSA-N -1 3 279.336 2.095 20 10 CECDHM COc1c([O-])c(CN2CCC(CF)CC2)ccc1[N+](=O)[O-] ZINC000295085008 378040180 /nfs/dbraw/zinc/04/01/80/378040180.db2.gz QWEFUOKCMUSFCG-UHFFFAOYSA-N -1 3 298.314 2.491 20 10 CECDHM C[C@@](O)(CNCc1c([O-])cccc1Cl)C(F)(F)F ZINC000270472719 394735558 /nfs/dbraw/zinc/73/55/58/394735558.db2.gz HZJMRFUSTPEWKV-SNVBAGLBSA-N -1 3 283.677 2.449 20 10 CECDHM NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(F)c1[O-] ZINC000360675808 394805397 /nfs/dbraw/zinc/80/53/97/394805397.db2.gz XSDGJQLBDWUUJK-SWHYSGLUSA-N -1 3 292.354 2.150 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCn2c(nnc2C2CC2)C1 ZINC000360672098 394805645 /nfs/dbraw/zinc/80/56/45/394805645.db2.gz NASPIPQQHMDLCK-UHFFFAOYSA-N -1 3 288.326 2.016 20 10 CECDHM Cc1ccc([O-])c(CNCc2ccc3c(c2)CCN3C)n1 ZINC000364441456 394903442 /nfs/dbraw/zinc/90/34/42/394903442.db2.gz FKOBNYYEWVEGPU-UHFFFAOYSA-N -1 3 283.375 2.378 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1CCn2nc(C)nc2C1 ZINC000366677779 394951111 /nfs/dbraw/zinc/95/11/11/394951111.db2.gz FYACOIVAOJILKV-ZDUSSCGKSA-N -1 3 272.352 2.259 20 10 CECDHM Cc1ccc(C(=O)N[C@H]2CC(C)(C)OC2(C)C)c([O-])c1O ZINC000183002857 395249870 /nfs/dbraw/zinc/24/98/70/395249870.db2.gz XJLZSUIYQFJVFT-NSHDSACASA-N -1 3 293.363 2.482 20 10 CECDHM Cc1ccc(C(=O)N2CCS[C@H](C)[C@H]2C)c([O-])c1O ZINC000179507730 395195426 /nfs/dbraw/zinc/19/54/26/395195426.db2.gz XSMIGBGJZGJTLL-NXEZZACHSA-N -1 3 281.377 2.372 20 10 CECDHM Cc1cc(Cl)cc(CN2CCCC[C@H]2C(N)=O)c1[O-] ZINC000179581925 395196632 /nfs/dbraw/zinc/19/66/32/395196632.db2.gz VBHCXMJJDCZSKI-LBPRGKRZSA-N -1 3 282.771 2.194 20 10 CECDHM C[C@H](NCc1nnc2n1CCCC2)c1ccc(F)cc1[O-] ZINC000183844146 395264752 /nfs/dbraw/zinc/26/47/52/395264752.db2.gz OGOVIUKIPWDWAP-JTQLQIEISA-N -1 3 290.342 2.310 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCC[C@@H]1c1ncon1 ZINC000361050587 261153165 /nfs/dbraw/zinc/15/31/65/261153165.db2.gz HRXDDCNQQYWIFV-LLVKDONJSA-N -1 3 263.272 2.251 20 10 CECDHM CCC[C@@](C)(NCc1cc(F)ccc1[O-])C(=O)OC ZINC000184046788 262006608 /nfs/dbraw/zinc/00/66/08/262006608.db2.gz QHMDQSWYDRBDFY-CQSZACIVSA-N -1 3 269.316 2.353 20 10 CECDHM CC(C)N1CC[C@@H](N[C@@H](C)c2ccc(F)cc2[O-])C1=O ZINC000186047868 262077058 /nfs/dbraw/zinc/07/70/58/262077058.db2.gz XHZZLJZVJIJIFI-GXFFZTMASA-N -1 3 280.343 2.191 20 10 CECDHM COc1cc(Cl)cc(CN2CC3(C2)CCOC3)c1[O-] ZINC000294188756 328547251 /nfs/dbraw/zinc/54/72/51/328547251.db2.gz XFCSDPIQONLYEP-UHFFFAOYSA-N -1 3 283.755 2.277 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCOCC12CCC2 ZINC000180173947 329218177 /nfs/dbraw/zinc/21/81/77/329218177.db2.gz VJTDIHHOVPLTEP-UHFFFAOYSA-N -1 3 251.301 2.286 20 10 CECDHM [O-]c1c(Cl)cccc1CNC[C@@H](O)C(F)(F)F ZINC000224554507 329244569 /nfs/dbraw/zinc/24/45/69/329244569.db2.gz LXOLDDONLULRQL-MRVPVSSYSA-N -1 3 269.650 2.058 20 10 CECDHM Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@H]3C2)c([O-])c1O ZINC000182839397 329245525 /nfs/dbraw/zinc/24/55/25/329245525.db2.gz XPDSPLHUFDEPBT-WCQYABFASA-N -1 3 291.347 2.047 20 10 CECDHM Cc1ccc(C(=O)N2CC[C@@H]3OCCC[C@@H]3C2)c([O-])c1O ZINC000182839377 329245552 /nfs/dbraw/zinc/24/55/52/329245552.db2.gz XPDSPLHUFDEPBT-YPMHNXCESA-N -1 3 291.347 2.047 20 10 CECDHM O=C(Nc1c[nH]nc1-c1ccccn1)c1cccc(O)c1[O-] ZINC000185867167 329333756 /nfs/dbraw/zinc/33/37/56/329333756.db2.gz SSHYZUJTUSGWJH-UHFFFAOYSA-N -1 3 296.286 2.135 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCCO[C@@H](C)C2)c1[O-] ZINC000061919861 518285673 /nfs/dbraw/zinc/28/56/73/518285673.db2.gz QBMRYUVKNYFOQN-JTQLQIEISA-N -1 3 281.327 2.345 20 10 CECDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2cn[nH]c2)c1[O-] ZINC000275159180 518286491 /nfs/dbraw/zinc/28/64/91/518286491.db2.gz ILUQFEFEQFQFEJ-MRVPVSSYSA-N -1 3 277.299 2.308 20 10 CECDHM CCCOc1ccc(CN2CCO[C@@H](COC)C2)c([O-])c1 ZINC000093529179 520352000 /nfs/dbraw/zinc/35/20/00/520352000.db2.gz KNCDDASYDMEMDB-OAHLLOKOSA-N -1 3 295.379 2.028 20 10 CECDHM CO[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000234885197 523995548 /nfs/dbraw/zinc/99/55/48/523995548.db2.gz UIMQLFUPAVSHCN-NSHDSACASA-N -1 3 286.169 2.375 20 10 CECDHM [O-]c1c(F)cccc1CN1CCO[C@H]2CCC[C@H]21 ZINC000228003598 526330081 /nfs/dbraw/zinc/33/00/81/526330081.db2.gz PTEMWAWBWAPTRI-OLZOCXBDSA-N -1 3 251.301 2.285 20 10 CECDHM CN(C)c1ccc(C=C2SC(=O)[N-]C2=O)cc1F ZINC000874928944 649871122 /nfs/dbraw/zinc/87/11/22/649871122.db2.gz YIQNKEBVQRVHBT-POHAHGRESA-N -1 3 266.297 2.216 20 10 CECDHM COCCOc1ccc(NC(=O)c2cc([O-])cs2)cn1 ZINC000731869023 574605006 /nfs/dbraw/zinc/60/50/06/574605006.db2.gz IEZWZXHOVDZCEI-UHFFFAOYSA-N -1 3 294.332 2.126 20 10 CECDHM Cc1nn(C)c(NC(=O)c2cc([O-])cs2)c1C ZINC000732290215 574618315 /nfs/dbraw/zinc/61/83/15/574618315.db2.gz SMZXIDAONDDNSS-UHFFFAOYSA-N -1 3 251.311 2.056 20 10 CECDHM O=C(NCCCCNc1ccccn1)c1cc([O-])cs1 ZINC000732287313 574618097 /nfs/dbraw/zinc/61/80/97/574618097.db2.gz APBUPUCRGLQICN-UHFFFAOYSA-N -1 3 291.376 2.471 20 10 CECDHM COc1cccc(COC(=O)c2cc([O-])cs2)n1 ZINC000733015427 574638644 /nfs/dbraw/zinc/63/86/44/574638644.db2.gz YVJGZQOCMJNRSY-UHFFFAOYSA-N -1 3 265.290 2.214 20 10 CECDHM O=C([O-])N1CCCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000740516116 574957494 /nfs/dbraw/zinc/95/74/94/574957494.db2.gz LIQXMVGNRHWNDW-GFCCVEGCSA-N -1 3 264.325 2.014 20 10 CECDHM CC(=O)Nc1ccccc1CNC(=O)c1cc([O-])cs1 ZINC000743656689 575108379 /nfs/dbraw/zinc/10/83/79/575108379.db2.gz QFDVDOZYXOIZCJ-UHFFFAOYSA-N -1 3 290.344 2.342 20 10 CECDHM CCOC(=O)CCN(CC1CC1)C(=O)c1cc([O-])cs1 ZINC000748364024 575185005 /nfs/dbraw/zinc/18/50/05/575185005.db2.gz VVMCNUIVBKLPMQ-UHFFFAOYSA-N -1 3 297.376 2.259 20 10 CECDHM CCCCCOC1CN(C(=O)c2cc([O-])cs2)C1 ZINC000748405410 575185904 /nfs/dbraw/zinc/18/59/04/575185904.db2.gz KEBLSNPEYXSDHR-UHFFFAOYSA-N -1 3 269.366 2.485 20 10 CECDHM CCCCC[C@H](NC(=O)c1cc([O-])cs1)C(=O)OC ZINC000752820168 575315334 /nfs/dbraw/zinc/31/53/34/575315334.db2.gz VINLAMAUJAZLSS-JTQLQIEISA-N -1 3 285.365 2.305 20 10 CECDHM Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)C(=O)[O-])c1[O-] ZINC000820976814 598182465 /nfs/dbraw/zinc/18/24/65/598182465.db2.gz SDGUITNRIZVBKP-QMMMGPOBSA-N -1 3 257.717 2.259 20 10 CECDHM Cc1cc(Cl)cc(C[N@H+](C)[C@@H](C)C(=O)[O-])c1[O-] ZINC000820976814 598182466 /nfs/dbraw/zinc/18/24/66/598182466.db2.gz SDGUITNRIZVBKP-QMMMGPOBSA-N -1 3 257.717 2.259 20 10 CECDHM C[C@@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000833834175 605592642 /nfs/dbraw/zinc/59/26/42/605592642.db2.gz MVVSZLAYPMXOIY-NXEZZACHSA-N -1 3 282.315 2.009 20 10 CECDHM C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000833834175 605592644 /nfs/dbraw/zinc/59/26/44/605592644.db2.gz MVVSZLAYPMXOIY-NXEZZACHSA-N -1 3 282.315 2.009 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC(Cc2ccoc2)C1 ZINC000890572970 622625440 /nfs/dbraw/zinc/62/54/40/622625440.db2.gz QALAXFCIUARFSF-UHFFFAOYSA-N -1 3 273.288 2.006 20 10 CECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1c(F)cncc1F ZINC000804825850 622987437 /nfs/dbraw/zinc/98/74/37/622987437.db2.gz IBULKAZWHYSEGJ-ZETCQYMHSA-N -1 3 294.257 2.262 20 10 CECDHM COC(C)(C)CS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC000821190560 634650722 /nfs/dbraw/zinc/65/07/22/634650722.db2.gz BHIQHEUNDDZWTQ-UHFFFAOYSA-N -1 3 293.772 2.212 20 10 CECDHM CN(C)c1ccnc(CNCc2ccc(F)c(F)c2[O-])c1 ZINC000896298255 630521637 /nfs/dbraw/zinc/52/16/37/630521637.db2.gz HNONVYFJNVDHKJ-UHFFFAOYSA-N -1 3 293.317 2.421 20 10 CECDHM C[C@@H]1[C@H](O)CCN1Cc1cccc(Br)c1[O-] ZINC000825103486 635568479 /nfs/dbraw/zinc/56/84/79/635568479.db2.gz GREXCOQZOUEEBA-LDYMZIIASA-N -1 3 286.169 2.110 20 10 CECDHM O=C(COCC1CCCC1)NCc1c([O-])cccc1F ZINC000928705373 631127638 /nfs/dbraw/zinc/12/76/38/631127638.db2.gz HWPKBNDPDDYYRC-UHFFFAOYSA-N -1 3 281.327 2.354 20 10 CECDHM CCOC(=O)CN(CC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079403831 631157444 /nfs/dbraw/zinc/15/74/44/631157444.db2.gz JTQYRLMDOBQWLN-UHFFFAOYSA-N -1 3 297.326 2.119 20 10 CECDHM O=C(c1cccc(O)c1[O-])N(CC(F)F)C1CCC1 ZINC000899784684 632994114 /nfs/dbraw/zinc/99/41/14/632994114.db2.gz FKGXMHTTWWVLQZ-UHFFFAOYSA-N -1 3 271.263 2.358 20 10 CECDHM C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])[C@H]1C(=O)[O-] ZINC000818631658 633967636 /nfs/dbraw/zinc/96/76/36/633967636.db2.gz MHQDYYGGBCFASS-NOZJJQNGSA-N -1 3 267.300 2.216 20 10 CECDHM C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])[C@H]1C(=O)[O-] ZINC000818631658 633967639 /nfs/dbraw/zinc/96/76/39/633967639.db2.gz MHQDYYGGBCFASS-NOZJJQNGSA-N -1 3 267.300 2.216 20 10 CECDHM CCN(CC(=O)OC)Cc1cc(Cl)c(C)cc1[O-] ZINC000824710521 635482913 /nfs/dbraw/zinc/48/29/13/635482913.db2.gz VQBLYXZCMYMKSY-UHFFFAOYSA-N -1 3 271.744 2.349 20 10 CECDHM Cc1cc([O-])c(CN2C[C@@H](F)C[C@H]2CO)cc1Cl ZINC000825629456 635680837 /nfs/dbraw/zinc/68/08/37/635680837.db2.gz WQTUQYMZXVITBQ-QWRGUYRKSA-N -1 3 273.735 2.259 20 10 CECDHM CC(C)[C@@H](CO)[C@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000834053066 637757412 /nfs/dbraw/zinc/75/74/12/637757412.db2.gz LQDAPRWLXUMKSF-TZMCWYRMSA-N -1 3 295.379 2.117 20 10 CECDHM Cc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000126274165 650512891 /nfs/dbraw/zinc/51/28/91/650512891.db2.gz BPHVFSNTQFMWDP-UHFFFAOYSA-N -1 3 257.289 2.336 20 10 CECDHM C[C@@H](C[C@H]1CCOC1)NC(=O)NCc1c([O-])cccc1F ZINC000921450680 641283946 /nfs/dbraw/zinc/28/39/46/641283946.db2.gz CNEPZBKAAXQEGQ-WDEREUQCSA-N -1 3 296.342 2.146 20 10 CECDHM CCC[C@@H](C)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452141 641285014 /nfs/dbraw/zinc/28/50/14/641285014.db2.gz FPGRFBCGMVASIB-SNVBAGLBSA-N -1 3 289.372 2.387 20 10 CECDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1nccs1 ZINC000126440723 650661010 /nfs/dbraw/zinc/66/10/10/650661010.db2.gz CTDPXAVFSFUVOI-SECBINFHSA-N -1 3 278.333 2.435 20 10 CECDHM CC(C)c1nnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC000186865534 643350594 /nfs/dbraw/zinc/35/05/94/643350594.db2.gz GXMAWDFZNVTYSV-UHFFFAOYSA-N -1 3 279.321 2.325 20 10 CECDHM C[C@H](c1ccncc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000187031091 643430178 /nfs/dbraw/zinc/43/01/78/643430178.db2.gz SPMFNTUOYREVCR-SNVBAGLBSA-N -1 3 272.304 2.326 20 10 CECDHM C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000756380288 644639187 /nfs/dbraw/zinc/63/91/87/644639187.db2.gz GRDCNQWIGYEZNL-BMIGLBTASA-N -1 3 288.322 2.409 20 10 CECDHM C[C@H](NCc1ccnn1C)c1cc(F)cc(F)c1[O-] ZINC000756403478 644644171 /nfs/dbraw/zinc/64/41/71/644644171.db2.gz YPAQUZHUPDAADW-QMMMGPOBSA-N -1 3 267.279 2.255 20 10 CECDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccn1)C1CC1 ZINC000863923820 646852133 /nfs/dbraw/zinc/85/21/33/646852133.db2.gz HREKCZRRVQHKNT-UHFFFAOYSA-N -1 3 284.315 2.298 20 10 CECDHM O=C(N[C@H](C1CCC1)[C@H]1CCOC1)c1cccc(O)c1[O-] ZINC000871304036 649059730 /nfs/dbraw/zinc/05/97/30/649059730.db2.gz XPPZILUNGLTWBE-SMDDNHRTSA-N -1 3 291.347 2.033 20 10 CECDHM O=C(N[C@H](C1CC1)[C@@H]1CCCOC1)c1cccc(O)c1[O-] ZINC000885478660 653013245 /nfs/dbraw/zinc/01/32/45/653013245.db2.gz KXYONVXVCDZRLG-BXUZGUMPSA-N -1 3 291.347 2.033 20 10 CECDHM Cc1cc([N-]S(=O)(=O)c2cccc(N)c2)cc(C)c1O ZINC001211913674 806380923 /nfs/dbraw/zinc/38/09/23/806380923.db2.gz KGJLWIOLEXOCMZ-UHFFFAOYSA-N -1 3 292.360 2.392 20 10 CECDHM COC(=O)[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142534691 806623445 /nfs/dbraw/zinc/62/34/45/806623445.db2.gz SMCZZSDSQUVVEZ-SNVBAGLBSA-N -1 3 299.317 2.446 20 10 CECDHM [O-]c1c(Cl)cccc1Nc1ncnn2cccc12 ZINC001210215615 802654877 /nfs/dbraw/zinc/65/48/77/802654877.db2.gz KGAJVEIPKAPAJC-UHFFFAOYSA-N -1 3 260.684 2.254 20 10 CECDHM CN1CCN(C(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000126420473 814261669 /nfs/dbraw/zinc/26/16/69/814261669.db2.gz RRGMGLDPVNBHCZ-UHFFFAOYSA-N -1 3 284.315 2.194 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CCCC[C@](O)(CF)C1 ZINC001139685789 804454223 /nfs/dbraw/zinc/45/42/23/804454223.db2.gz XLZYUMGCLQWKJZ-AWEZNQCLSA-N -1 3 289.297 2.357 20 10 CECDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])CCCO1 ZINC000708423267 809930023 /nfs/dbraw/zinc/93/00/23/809930023.db2.gz RCUQIOKDONGETG-SECBINFHSA-N -1 3 257.280 2.281 20 10 CECDHM O=C(Nc1cnc2occc2c1)c1cccc(O)c1[O-] ZINC001148212236 814536736 /nfs/dbraw/zinc/53/67/36/814536736.db2.gz SFAGODPWJGMPBM-UHFFFAOYSA-N -1 3 270.244 2.491 20 10 CECDHM O=C(NCC(F)(F)c1ccccn1)c1cccc(O)c1[O-] ZINC001148224777 814538469 /nfs/dbraw/zinc/53/84/69/814538469.db2.gz UXZDYRMJVWZNPY-UHFFFAOYSA-N -1 3 294.257 2.015 20 10 CECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ncccc1F ZINC001139574924 816056066 /nfs/dbraw/zinc/05/60/66/816056066.db2.gz KFHPMXUSZRFNBS-MRVPVSSYSA-N -1 3 276.267 2.123 20 10 CECDHM CO[C@@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685492 816081165 /nfs/dbraw/zinc/08/11/65/816081165.db2.gz LOQIESGEPYZHPH-SECBINFHSA-N -1 3 257.280 2.281 20 10 CECDHM [O-]c1cccc(Br)c1CN1CCO[C@H]2C[C@H]21 ZINC001140103711 816190749 /nfs/dbraw/zinc/19/07/49/816190749.db2.gz SKRRIQCQUCONEO-PWSUYJOCSA-N -1 3 284.153 2.128 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCCC[C@](O)(CF)C1 ZINC001140582068 816290241 /nfs/dbraw/zinc/29/02/41/816290241.db2.gz BEBGAUIEPUYFAS-AWEZNQCLSA-N -1 3 289.297 2.357 20 10 CECDHM C[C@@H]1C[C@@H](O)CCN1Cc1c([O-])cc(F)cc1F ZINC001140583286 816291975 /nfs/dbraw/zinc/29/19/75/816291975.db2.gz CUYGHWGOFAGTGA-SCZZXKLOSA-N -1 3 257.280 2.016 20 10 CECDHM CN1CCN(Cc2c([O-])cc(F)cc2F)CC1(C)C ZINC001140584377 816292318 /nfs/dbraw/zinc/29/23/18/816292318.db2.gz PFNFRQLHQMFLNB-UHFFFAOYSA-N -1 3 270.323 2.196 20 10 CECDHM CCN(CCn1cccn1)Cc1c([O-])cc(F)cc1F ZINC001140583599 816292537 /nfs/dbraw/zinc/29/25/37/816292537.db2.gz NASKOCBIKUVGMK-UHFFFAOYSA-N -1 3 281.306 2.389 20 10 CECDHM CC(=O)N(C)C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142526997 816680176 /nfs/dbraw/zinc/68/01/76/816680176.db2.gz FPZLOYOTYJWTMB-UHFFFAOYSA-N -1 3 298.333 2.113 20 10 CECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C(F)F ZINC001142791539 816729658 /nfs/dbraw/zinc/72/96/58/816729658.db2.gz AQTXWNNRLJJSHS-UHFFFAOYSA-N -1 3 286.665 2.475 20 10 CECDHM COC(=O)[C@H](C)N(Cc1cc(F)ccc1[O-])C1CCC1 ZINC000191641042 369729071 /nfs/dbraw/zinc/72/90/71/369729071.db2.gz NVEIWQLMHCSIOR-JTQLQIEISA-N -1 3 281.327 2.447 20 10 CECDHM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000192993319 369880351 /nfs/dbraw/zinc/88/03/51/369880351.db2.gz CIUNUGIXUQAUEJ-APPZFPTMSA-N -1 3 273.292 2.197 20 10 CECDHM [O-]c1cccc(Cl)c1CNC[C@H](O)C(F)(F)F ZINC000226646654 370350001 /nfs/dbraw/zinc/35/00/01/370350001.db2.gz YJJLDLGQHFUNJQ-VIFPVBQESA-N -1 3 269.650 2.058 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2[C@@H](C)O)c1[O-] ZINC000267473887 372074904 /nfs/dbraw/zinc/07/49/04/372074904.db2.gz ZTKPVPCNOKJBIP-ABAIWWIYSA-N -1 3 295.354 2.469 20 10 CECDHM C[C@@H]1CC[S@](=O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000365446119 372862134 /nfs/dbraw/zinc/86/21/34/372862134.db2.gz GQVUBLDEHKSZSM-MGNBDDOMSA-N -1 3 287.812 2.389 20 10 CECDHM CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272737997 373635184 /nfs/dbraw/zinc/63/51/84/373635184.db2.gz LLCRLGFEOLMKEZ-RYUDHWBXSA-N -1 3 279.336 2.094 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@]23CCOC3)c1[O-] ZINC000375272135 374648550 /nfs/dbraw/zinc/64/85/50/374648550.db2.gz KRAHWQHVRKLGNZ-MRXNPFEDSA-N -1 3 293.338 2.489 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](C3CC3)C2)c1[O-] ZINC000375340972 374653845 /nfs/dbraw/zinc/65/38/45/374653845.db2.gz LFBYVEZLHLOTEC-OAHLLOKOSA-N -1 3 293.338 2.345 20 10 CECDHM CC(C)(C)n1ncnc1CNCc1cc(F)ccc1[O-] ZINC000282785117 375572397 /nfs/dbraw/zinc/57/23/97/375572397.db2.gz QRFASFSEGSFRHS-UHFFFAOYSA-N -1 3 278.331 2.168 20 10 CECDHM Cc1cc(CNCc2cccc(Cl)c2[O-])n(C)n1 ZINC000284210816 375825479 /nfs/dbraw/zinc/82/54/79/375825479.db2.gz CDYXVBVGRXMMMU-UHFFFAOYSA-N -1 3 265.744 2.377 20 10 CECDHM CCCNC(=O)CN[C@H](CC)c1ccc(F)cc1[O-] ZINC000285492315 375840070 /nfs/dbraw/zinc/84/00/70/375840070.db2.gz CDVWANTURVIDDE-GFCCVEGCSA-N -1 3 268.332 2.098 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CC2(C1)CCOC2 ZINC000293993817 377862807 /nfs/dbraw/zinc/86/28/07/377862807.db2.gz LWGGLEQHDGOOOB-UHFFFAOYSA-N -1 3 253.729 2.268 20 10 CECDHM C[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@H]1CO ZINC000294776926 378018564 /nfs/dbraw/zinc/01/85/64/378018564.db2.gz UDLXFKWUZKPUGS-UFBFGSQYSA-N -1 3 273.735 2.387 20 10 CECDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])c1ccccn1 ZINC000295476772 378174240 /nfs/dbraw/zinc/17/42/40/378174240.db2.gz NUDZQNGVVUJIAL-UHFFFAOYSA-N -1 3 286.331 2.200 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](CO)C2)c1[O-] ZINC000122844503 394818166 /nfs/dbraw/zinc/81/81/66/394818166.db2.gz SIWSHKZVAIZWDO-JTQLQIEISA-N -1 3 283.755 2.062 20 10 CECDHM Cc1cc(Cl)cc(CN2C[C@H](F)C[C@H]2CO)c1[O-] ZINC000372649857 395044617 /nfs/dbraw/zinc/04/46/17/395044617.db2.gz NUFLNSWVRFCDOQ-NEPJUHHUSA-N -1 3 273.735 2.259 20 10 CECDHM Cc1ccc(C(=O)N(C)CC(F)(F)F)c([O-])c1O ZINC000177672041 395154338 /nfs/dbraw/zinc/15/43/38/395154338.db2.gz MBFRRLDCENHUEL-UHFFFAOYSA-N -1 3 263.215 2.041 20 10 CECDHM Cn1nccc1CNCc1cc(Cl)ccc1[O-] ZINC000071138203 176036451 /nfs/dbraw/zinc/03/64/51/176036451.db2.gz AAPXESZVAJOFGB-UHFFFAOYSA-N -1 3 251.717 2.069 20 10 CECDHM Cc1ccc(C(=O)NCCC[C@H]2CCCCO2)c([O-])c1O ZINC000184354368 262017361 /nfs/dbraw/zinc/01/73/61/262017361.db2.gz XZMZCPODZDROBK-GFCCVEGCSA-N -1 3 293.363 2.485 20 10 CECDHM CCS(=O)(=O)CCN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185330717 262050607 /nfs/dbraw/zinc/05/06/07/262050607.db2.gz OMQAUYKWUZEKOY-VIFPVBQESA-N -1 3 291.800 2.131 20 10 CECDHM COC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(C)o1 ZINC000185787371 262070881 /nfs/dbraw/zinc/07/08/81/262070881.db2.gz KHCBQMMHRSLEEH-NSHDSACASA-N -1 3 291.303 2.117 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCOC[C@@H]1CC(F)F ZINC000289885269 263112864 /nfs/dbraw/zinc/11/28/64/263112864.db2.gz WGOLXUGVJLNBAM-NSHDSACASA-N -1 3 275.270 2.387 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CNC[C@@H](O)C(F)(F)F ZINC000294294098 265009896 /nfs/dbraw/zinc/00/98/96/265009896.db2.gz POKKCTLURDYMIV-SECBINFHSA-N -1 3 287.640 2.198 20 10 CECDHM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cccc(Cl)c1[O-] ZINC000368974799 267215400 /nfs/dbraw/zinc/21/54/00/267215400.db2.gz PEHTXSIPDAVFJP-NDMJEZRESA-N -1 3 294.782 2.131 20 10 CECDHM O=C(Nc1ccc2c(c1)C(=O)CCO2)c1cccc(O)c1[O-] ZINC000369676523 267259777 /nfs/dbraw/zinc/25/97/77/267259777.db2.gz QDKFNPGTNSFOQS-UHFFFAOYSA-N -1 3 299.282 2.315 20 10 CECDHM Cc1ccc(C(=O)N2CC[C@@H]3OCCC[C@H]3C2)c([O-])c1O ZINC000182839415 329245445 /nfs/dbraw/zinc/24/54/45/329245445.db2.gz XPDSPLHUFDEPBT-AAEUAGOBSA-N -1 3 291.347 2.047 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCn2c3ccccc3nc21 ZINC000188995405 329374510 /nfs/dbraw/zinc/37/45/10/329374510.db2.gz XCIHRJUZFCKWMX-UHFFFAOYSA-N -1 3 295.298 2.108 20 10 CECDHM CCCN(Cc1nonc1C)Cc1ccccc1[O-] ZINC000265145994 521696719 /nfs/dbraw/zinc/69/67/19/521696719.db2.gz RNUVZDDHAUVKNZ-UHFFFAOYSA-N -1 3 261.325 2.496 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](O)C2)c1[O-] ZINC000050152800 518280171 /nfs/dbraw/zinc/28/01/71/518280171.db2.gz DOPIHYGCZPKYAM-GFCCVEGCSA-N -1 3 283.755 2.205 20 10 CECDHM CCCOc1ccc(CN[C@@H](C(=O)OC)C2CC2)c([O-])c1 ZINC000276408352 520370147 /nfs/dbraw/zinc/37/01/47/520370147.db2.gz DZWNXRRQCJMVME-OAHLLOKOSA-N -1 3 293.363 2.222 20 10 CECDHM CC1(C)CN(Cc2cc(F)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000280290500 520476585 /nfs/dbraw/zinc/47/65/85/520476585.db2.gz ODZIACIKPBLMEM-MRXNPFEDSA-N -1 3 295.354 2.301 20 10 CECDHM CCc1noc(C)c1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000292877602 522847214 /nfs/dbraw/zinc/84/72/14/522847214.db2.gz DTXIAKUQADFMJZ-UHFFFAOYSA-N -1 3 291.307 2.449 20 10 CECDHM COc1ccc(CNCc2cc(F)ccc2[O-])c(OC)n1 ZINC000290790805 524073095 /nfs/dbraw/zinc/07/30/95/524073095.db2.gz DODMZHHWHSJVCY-UHFFFAOYSA-N -1 3 292.310 2.233 20 10 CECDHM CCCN(CC(=O)Nc1ccon1)Cc1ccccc1[O-] ZINC000727830888 574456859 /nfs/dbraw/zinc/45/68/59/574456859.db2.gz TWETVHGONDUJAR-UHFFFAOYSA-N -1 3 289.335 2.231 20 10 CECDHM COc1cccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000731863721 574604221 /nfs/dbraw/zinc/60/42/21/574604221.db2.gz BTOSMPHRUWCISH-UHFFFAOYSA-N -1 3 263.318 2.392 20 10 CECDHM CN(C)c1cccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000731872220 574604527 /nfs/dbraw/zinc/60/45/27/574604527.db2.gz AIAHHCZGHWUNMI-UHFFFAOYSA-N -1 3 276.361 2.450 20 10 CECDHM Cc1noc(C)c1COC(=O)c1cc([O-])cs1 ZINC000731910246 574605720 /nfs/dbraw/zinc/60/57/20/574605720.db2.gz QEFXNPVSHCWOSC-UHFFFAOYSA-N -1 3 253.279 2.416 20 10 CECDHM Cc1cc(C(N)=O)ccc1NC(=O)c1cc([O-])cs1 ZINC000732270241 574616833 /nfs/dbraw/zinc/61/68/33/574616833.db2.gz RXNRLRKULLMPBZ-UHFFFAOYSA-N -1 3 276.317 2.113 20 10 CECDHM Cc1ncc(CN(C)C(=O)c2cc([O-])cs2)s1 ZINC000732274795 574617355 /nfs/dbraw/zinc/61/73/55/574617355.db2.gz SQWKUGLLLAXOCI-UHFFFAOYSA-N -1 3 268.363 2.491 20 10 CECDHM COC(=O)c1cc(COC(=O)c2cc([O-])cs2)c(C)o1 ZINC000732353985 574619493 /nfs/dbraw/zinc/61/94/93/574619493.db2.gz XPHQEEOMKGPPAG-UHFFFAOYSA-N -1 3 296.300 2.499 20 10 CECDHM CCC(CC)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732355790 574619771 /nfs/dbraw/zinc/61/97/71/574619771.db2.gz UGFHLZGWUMFWOZ-MRVPVSSYSA-N -1 3 285.365 2.304 20 10 CECDHM O=C(NC[C@@H](O)c1ccccc1F)c1cc([O-])cs1 ZINC000746711980 575163494 /nfs/dbraw/zinc/16/34/94/575163494.db2.gz MBRIUSIPZRWOPG-LLVKDONJSA-N -1 3 281.308 2.056 20 10 CECDHM C[S@@](=O)c1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000752819709 575315466 /nfs/dbraw/zinc/31/54/66/575315466.db2.gz QRKIJMKCHIHFTC-LJQANCHMSA-N -1 3 295.385 2.121 20 10 CECDHM CN(C)c1ccc(CN2CCC(C(=O)[O-])CC2)cc1F ZINC000820548113 598119520 /nfs/dbraw/zinc/11/95/20/598119520.db2.gz YWYPRTZKNLNDFN-UHFFFAOYSA-N -1 3 280.343 2.188 20 10 CECDHM CC[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C(=O)[O-] ZINC000820418775 598198308 /nfs/dbraw/zinc/19/83/08/598198308.db2.gz GHVCUYONPPWWCH-SNVBAGLBSA-N -1 3 257.717 2.307 20 10 CECDHM C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000833816541 605691857 /nfs/dbraw/zinc/69/18/57/605691857.db2.gz ZPGGPCAAZIQHGX-RYUDHWBXSA-N -1 3 278.352 2.260 20 10 CECDHM C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000833816541 605691860 /nfs/dbraw/zinc/69/18/60/605691860.db2.gz ZPGGPCAAZIQHGX-RYUDHWBXSA-N -1 3 278.352 2.260 20 10 CECDHM C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000833816539 605691960 /nfs/dbraw/zinc/69/19/60/605691960.db2.gz ZPGGPCAAZIQHGX-NEPJUHHUSA-N -1 3 278.352 2.260 20 10 CECDHM C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000833816539 605691963 /nfs/dbraw/zinc/69/19/63/605691963.db2.gz ZPGGPCAAZIQHGX-NEPJUHHUSA-N -1 3 278.352 2.260 20 10 CECDHM CN(CC(=O)NC(C)(C)C)Cc1c([O-])cccc1Cl ZINC000120681088 622804505 /nfs/dbraw/zinc/80/45/05/622804505.db2.gz WBCJUBHHMCWWID-UHFFFAOYSA-N -1 3 284.787 2.392 20 10 CECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1c(F)cncc1F ZINC000804825849 622987470 /nfs/dbraw/zinc/98/74/70/622987470.db2.gz IBULKAZWHYSEGJ-SSDOTTSWSA-N -1 3 294.257 2.262 20 10 CECDHM Cc1ccc(C(=O)Nc2ccccc2O)c([O-])c1O ZINC000177664651 625810542 /nfs/dbraw/zinc/81/05/42/625810542.db2.gz YRGTWSYYQXODRL-UHFFFAOYSA-N -1 3 259.261 2.364 20 10 CECDHM Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)c([O-])c1 ZINC000182533426 628162528 /nfs/dbraw/zinc/16/25/28/628162528.db2.gz CWMYJYQFPUNABI-UHFFFAOYSA-N -1 3 273.288 2.042 20 10 CECDHM Cc1ccc(C(=O)Nc2ccc(CCO)cc2)c([O-])c1O ZINC000182585035 628163292 /nfs/dbraw/zinc/16/32/92/628163292.db2.gz AZJKTXZJYXRINK-UHFFFAOYSA-N -1 3 287.315 2.193 20 10 CECDHM C[C@@]1(O)CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894044659 629100577 /nfs/dbraw/zinc/10/05/77/629100577.db2.gz WJRXVKSIILZZCJ-CYBMUJFWSA-N -1 3 257.280 2.017 20 10 CECDHM CCOC(=O)[C@H](C)C1CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895477139 630212696 /nfs/dbraw/zinc/21/26/96/630212696.db2.gz QAPUCSWOENKDAJ-SECBINFHSA-N -1 3 299.317 2.301 20 10 CECDHM CCOC(=O)[C@@H](C)C1CN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000895477140 630212944 /nfs/dbraw/zinc/21/29/44/630212944.db2.gz QAPUCSWOENKDAJ-VIFPVBQESA-N -1 3 299.317 2.301 20 10 CECDHM CO[C@](C)([C@H](C)NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000839827726 630335400 /nfs/dbraw/zinc/33/54/00/630335400.db2.gz AZNQBVNPZMVPTL-BJOHPYRUSA-N -1 3 279.336 2.031 20 10 CECDHM [O-]c1cccc(F)c1CNCc1ccnn1CC1CC1 ZINC000896637641 630620639 /nfs/dbraw/zinc/62/06/39/630620639.db2.gz KYCOOZVVJCMABB-UHFFFAOYSA-N -1 3 275.327 2.428 20 10 CECDHM Cn1ncc(CNCc2c([O-])cccc2F)c1Cl ZINC000896636292 630620688 /nfs/dbraw/zinc/62/06/88/630620688.db2.gz AFSHCNPBKBXFBK-UHFFFAOYSA-N -1 3 269.707 2.208 20 10 CECDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])OCC1CC1 ZINC000839846393 630809277 /nfs/dbraw/zinc/80/92/77/630809277.db2.gz UMKQXGRKKXYPKA-UHFFFAOYSA-N -1 3 279.336 2.033 20 10 CECDHM O=C(CC(F)(F)C(F)F)NCc1c([O-])cccc1F ZINC000928710466 631130737 /nfs/dbraw/zinc/13/07/37/631130737.db2.gz MKGQRDRKKOJXEP-UHFFFAOYSA-N -1 3 283.196 2.438 20 10 CECDHM Cn1cnc(CNCc2cccc(Br)c2[O-])c1 ZINC000898045392 632010393 /nfs/dbraw/zinc/01/03/93/632010393.db2.gz LPZPZVQMHDWHHN-UHFFFAOYSA-N -1 3 296.168 2.178 20 10 CECDHM C[C@@H]1C[C@H](O)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816589426 633418397 /nfs/dbraw/zinc/41/83/97/633418397.db2.gz XZTQOGJHLMCUMH-APPZFPTMSA-N -1 3 259.708 2.140 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H](CF)C1 ZINC000840953778 639598691 /nfs/dbraw/zinc/59/86/91/639598691.db2.gz AKTGJPWKGLFJCY-LLVKDONJSA-N -1 3 259.708 2.216 20 10 CECDHM CSCCCNC(=O)NCc1c([O-])cccc1F ZINC000919396574 641040767 /nfs/dbraw/zinc/04/07/67/641040767.db2.gz KIIFZTCLTAKERC-UHFFFAOYSA-N -1 3 272.345 2.084 20 10 CECDHM Cc1ccc(C(=O)Nc2cccc(N(C)C)n2)c([O-])c1O ZINC000183976569 641824927 /nfs/dbraw/zinc/82/49/27/641824927.db2.gz ZWCYRAPQUYWPTA-UHFFFAOYSA-N -1 3 287.319 2.120 20 10 CECDHM CC[C@@H](CSC)NC(=O)NCc1c([O-])cccc1F ZINC000921805447 642658467 /nfs/dbraw/zinc/65/84/67/642658467.db2.gz YZTQBFCWNFQHFY-VIFPVBQESA-N -1 3 286.372 2.472 20 10 CECDHM C[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1ccc(F)cc1[O-] ZINC000850499711 642732575 /nfs/dbraw/zinc/73/25/75/642732575.db2.gz VUHAXVKXIJVWJF-PTRXPTGYSA-N -1 3 276.315 2.479 20 10 CECDHM COCc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000186946345 643372694 /nfs/dbraw/zinc/37/26/94/643372694.db2.gz BAOVHRSOGMEFLF-UHFFFAOYSA-N -1 3 287.315 2.174 20 10 CECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1COC2(CCC2)C1 ZINC000923266126 643628783 /nfs/dbraw/zinc/62/87/83/643628783.db2.gz GURCOTSOVOYTSV-JTQLQIEISA-N -1 3 294.326 2.042 20 10 CECDHM C[C@@H](NCc1ccn(C)n1)c1cc(F)cc(F)c1[O-] ZINC000756778733 644691694 /nfs/dbraw/zinc/69/16/94/644691694.db2.gz OXUHAYQCALAAMY-MRVPVSSYSA-N -1 3 267.279 2.255 20 10 CECDHM CCn1cc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000765617401 645792347 /nfs/dbraw/zinc/79/23/47/645792347.db2.gz ASAGEAIFRIGJKO-SNVBAGLBSA-N -1 3 290.323 2.368 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCN(C)[C@H](C)[C@H]2C)c1[O-] ZINC000771467639 646521732 /nfs/dbraw/zinc/52/17/32/646521732.db2.gz UPKGXCBAHSKFIT-GHMZBOCLSA-N -1 3 294.370 2.258 20 10 CECDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H]1CO ZINC000775647862 646976154 /nfs/dbraw/zinc/97/61/54/646976154.db2.gz FSFTXFSHWRUHJP-SNVBAGLBSA-N -1 3 259.708 2.141 20 10 CECDHM CCN(CC)C(=O)CNCc1cc(Cl)cc(F)c1[O-] ZINC000776098209 647022955 /nfs/dbraw/zinc/02/29/55/647022955.db2.gz XAPHVOWTZODSAI-UHFFFAOYSA-N -1 3 288.750 2.143 20 10 CECDHM C[C@@H]1CCN(Cc2c([O-])cccc2Cl)[C@H](C(N)=O)C1 ZINC000779200499 647297176 /nfs/dbraw/zinc/29/71/76/647297176.db2.gz HDEMKOMTPINKBZ-SKDRFNHKSA-N -1 3 282.771 2.131 20 10 CECDHM CC(C)C[C@@H]1C(=O)NCCN1Cc1c([O-])cccc1Cl ZINC000783727733 647752275 /nfs/dbraw/zinc/75/22/75/647752275.db2.gz FKKSYNLLGIEJCA-CYBMUJFWSA-N -1 3 296.798 2.392 20 10 CECDHM Cc1cc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])on1 ZINC000790538301 648428842 /nfs/dbraw/zinc/42/88/42/648428842.db2.gz HDRSFZTXJLUGPX-NSHDSACASA-N -1 3 288.303 2.372 20 10 CECDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](C)S1=O ZINC000792191972 648622196 /nfs/dbraw/zinc/62/21/96/648622196.db2.gz GYAJGRXKHQECDZ-NXEZZACHSA-N -1 3 287.812 2.387 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)CC(F)F)c1[O-] ZINC000135834536 652994037 /nfs/dbraw/zinc/99/40/37/652994037.db2.gz BNWQKQCMBZFYAD-UHFFFAOYSA-N -1 3 261.243 2.431 20 10 CECDHM O=C(N[C@@H]1CCCc2cccnc21)c1cccc(O)c1[O-] ZINC000885365554 653000511 /nfs/dbraw/zinc/00/05/11/653000511.db2.gz WTYQMLMVDOZWMG-GFCCVEGCSA-N -1 3 284.315 2.300 20 10 CECDHM COC(=O)C[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530352 806622910 /nfs/dbraw/zinc/62/29/10/806622910.db2.gz FLMPIBZFKJUSME-SECBINFHSA-N -1 3 285.290 2.055 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CC(N2CC[C@H](F)C2)C1 ZINC001140465067 802947357 /nfs/dbraw/zinc/94/73/57/802947357.db2.gz HBXODHAPYZUPNV-LBPRGKRZSA-N -1 3 284.762 2.274 20 10 CECDHM CO[C@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000708424093 809929936 /nfs/dbraw/zinc/92/99/36/809929936.db2.gz WNEJPRDXZXOPBD-NSHDSACASA-N -1 3 257.280 2.281 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@H](O)CC[C@H]2C)c1[O-] ZINC000399380155 813709478 /nfs/dbraw/zinc/70/94/78/813709478.db2.gz WHZCRXPGFYUQLV-NOZJJQNGSA-N -1 3 281.327 2.079 20 10 CECDHM CC(C)Cn1cnc(NC(=O)c2cccc(O)c2[O-])c1 ZINC001148212191 814536747 /nfs/dbraw/zinc/53/67/47/814536747.db2.gz QFIQOMOLDWFKMT-UHFFFAOYSA-N -1 3 275.308 2.203 20 10 CECDHM COc1cncc(NC(=O)c2cccc(O)c2[O-])c1C ZINC001148213107 814537624 /nfs/dbraw/zinc/53/76/24/814537624.db2.gz VLXXQVNGMZHBJF-UHFFFAOYSA-N -1 3 274.276 2.062 20 10 CECDHM COC(=O)[C@@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685487 816081998 /nfs/dbraw/zinc/08/19/98/816081998.db2.gz LMUIYRIRKBICMH-SECBINFHSA-N -1 3 285.290 2.055 20 10 CECDHM C[C@@H]1CC[C@@H](CO)CN1Cc1c([O-])cc(F)cc1F ZINC001140582064 816291301 /nfs/dbraw/zinc/29/13/01/816291301.db2.gz BDSCGPRTSVUOQL-NXEZZACHSA-N -1 3 271.307 2.263 20 10 CECDHM CCCNC(=O)CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000036780954 361856449 /nfs/dbraw/zinc/85/64/49/361856449.db2.gz KIUIFGHERKSMAE-UHFFFAOYSA-N -1 3 291.178 2.315 20 10 CECDHM [O-]c1ccccc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000156044291 366825286 /nfs/dbraw/zinc/82/52/86/366825286.db2.gz KMJQQNNVPMDZTC-UHFFFAOYSA-N -1 3 298.268 2.018 20 10 CECDHM CC(C)OCCN1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180185252 368371364 /nfs/dbraw/zinc/37/13/64/368371364.db2.gz CYLLGHBENIEDLD-UHFFFAOYSA-N -1 3 296.386 2.074 20 10 CECDHM C[C@H](N1CCN(Cc2ccccc2[O-])CC1)C(F)(F)F ZINC000179585001 368342790 /nfs/dbraw/zinc/34/27/90/368342790.db2.gz DLUHCVIMZTTYMI-NSHDSACASA-N -1 3 288.313 2.461 20 10 CECDHM O=C(NC1CC1)[C@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC000179726631 368348382 /nfs/dbraw/zinc/34/83/82/368348382.db2.gz NYWSJKUWHNEKEG-CYBMUJFWSA-N -1 3 294.782 2.289 20 10 CECDHM COC(=O)[C@H]1CCCCN1Cc1cc(F)ccc1[O-] ZINC000179894050 368356150 /nfs/dbraw/zinc/35/61/50/368356150.db2.gz MHHAVFGDDMERFO-GFCCVEGCSA-N -1 3 267.300 2.059 20 10 CECDHM CN1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000269352960 372426485 /nfs/dbraw/zinc/42/64/85/372426485.db2.gz LDNAWWWHZYRBDI-UHFFFAOYSA-N -1 3 299.758 2.091 20 10 CECDHM C[C@@](O)(CNCc1cccc(Cl)c1[O-])C(F)(F)F ZINC000271765129 373200562 /nfs/dbraw/zinc/20/05/62/373200562.db2.gz AHMUDIYINMFBCC-SNVBAGLBSA-N -1 3 283.677 2.449 20 10 CECDHM CC[C@@H](N[C@H](C)c1nncn1C)c1ccc(F)cc1[O-] ZINC000286375890 375932845 /nfs/dbraw/zinc/93/28/45/375932845.db2.gz ZUMJPFQEUZUFHG-BXKDBHETSA-N -1 3 278.331 2.462 20 10 CECDHM C[C@H]1C[C@@H](O)CCN1Cc1cccc(Cl)c1[O-] ZINC000292824723 377300396 /nfs/dbraw/zinc/30/03/96/377300396.db2.gz QKKTVMDWAXOHKX-ONGXEEELSA-N -1 3 255.745 2.391 20 10 CECDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2cnn(C)c2)c1[O-] ZINC000273251610 394786717 /nfs/dbraw/zinc/78/67/17/394786717.db2.gz CIBXNAAGQXLZBU-VIFPVBQESA-N -1 3 291.326 2.318 20 10 CECDHM Cn1cnc2c1CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC000374423223 395081545 /nfs/dbraw/zinc/08/15/45/395081545.db2.gz VRNWKYNWWJMMBF-UHFFFAOYSA-N -1 3 277.755 2.337 20 10 CECDHM COCCOCCN(C)Cc1cccc(Cl)c1[O-] ZINC000290217229 395095864 /nfs/dbraw/zinc/09/58/64/395095864.db2.gz RFHPUUAVSDRFJF-UHFFFAOYSA-N -1 3 273.760 2.140 20 10 CECDHM Cn1ccnc1CNCc1cccc(Br)c1[O-] ZINC000071140807 176038960 /nfs/dbraw/zinc/03/89/60/176038960.db2.gz DNJXDVIARNBKQD-UHFFFAOYSA-N -1 3 296.168 2.178 20 10 CECDHM C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126645031 260355174 /nfs/dbraw/zinc/35/51/74/260355174.db2.gz ISWNNDCOUCXOFK-RYUDHWBXSA-N -1 3 293.363 2.254 20 10 CECDHM COC(=O)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000159213487 261181098 /nfs/dbraw/zinc/18/10/98/261181098.db2.gz QWXONPRJXNGBJJ-UHFFFAOYSA-N -1 3 283.755 2.431 20 10 CECDHM CC(C)NC(=O)CN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000184895968 262032638 /nfs/dbraw/zinc/03/26/38/262032638.db2.gz SARQKSUMVLJXGC-VIFPVBQESA-N -1 3 270.760 2.221 20 10 CECDHM CCC(O)(CC)CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000276451137 263036731 /nfs/dbraw/zinc/03/67/31/263036731.db2.gz MNEBGUMPVAMIND-UHFFFAOYSA-N -1 3 281.352 2.077 20 10 CECDHM C[C@@H](O)[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293490047 264962113 /nfs/dbraw/zinc/96/21/13/264962113.db2.gz ANGJQGKKWDAVBM-BDAKNGLRSA-N -1 3 273.735 2.387 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@](F)(CO)C2)c1[O-] ZINC000367864016 267123587 /nfs/dbraw/zinc/12/35/87/267123587.db2.gz HWINASRASWWPQH-OAHLLOKOSA-N -1 3 299.317 2.030 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCC[C@](F)(CO)C1 ZINC000368034580 267139448 /nfs/dbraw/zinc/13/94/48/267139448.db2.gz BTOKGHPJMBQQFA-CYBMUJFWSA-N -1 3 273.735 2.342 20 10 CECDHM C[C@H]1OCC[C@@]12CN(Cc1cc(Cl)ccc1[O-])CCO2 ZINC000377274181 268063276 /nfs/dbraw/zinc/06/32/76/268063276.db2.gz WNSLEDALAUGYPI-IAQYHMDHSA-N -1 3 297.782 2.425 20 10 CECDHM COc1ccc2c(c1)CCN2C(=O)/C=C\c1cncc([O-])c1 ZINC000492432935 332397242 /nfs/dbraw/zinc/39/72/42/332397242.db2.gz BQPQZAKESASBQQ-DJWKRKHSSA-N -1 3 296.326 2.398 20 10 CECDHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])C(=O)N1CCCC1 ZINC000228093783 333294896 /nfs/dbraw/zinc/29/48/96/333294896.db2.gz YITPEAXFEDBNAT-QWRGUYRKSA-N -1 3 280.343 2.193 20 10 CECDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])CCS1 ZINC000277697824 334816709 /nfs/dbraw/zinc/81/67/09/334816709.db2.gz DZSIRHYNGCLXEI-SECBINFHSA-N -1 3 267.350 2.065 20 10 CECDHM CCOCCN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000127459852 519920048 /nfs/dbraw/zinc/92/00/48/519920048.db2.gz YBEHDODFKWFSTC-UHFFFAOYSA-N -1 3 298.814 2.200 20 10 CECDHM CC1(C)CN(Cc2c([O-])cccc2Cl)C[C@@H]1O ZINC000280596143 520471418 /nfs/dbraw/zinc/47/14/18/520471418.db2.gz XVTHXNQSHMNYDO-LBPRGKRZSA-N -1 3 255.745 2.248 20 10 CECDHM CCCCN1CC(=O)N[C@H]1c1ccc(OCCC)cc1[O-] ZINC000298795599 520568096 /nfs/dbraw/zinc/56/80/96/520568096.db2.gz SRMYJZZJOYCPMC-MRXNPFEDSA-N -1 3 292.379 2.412 20 10 CECDHM CC1(CNCc2cc(Cl)c(F)cc2[O-])OCCCO1 ZINC000294631358 520734140 /nfs/dbraw/zinc/73/41/40/520734140.db2.gz JSOYKKQKBCMKLV-UHFFFAOYSA-N -1 3 289.734 2.427 20 10 CECDHM C[C@@H]1CCN(Cc2c([O-])cccc2Cl)CC[S@@]1=O ZINC000277766784 524510381 /nfs/dbraw/zinc/51/03/81/524510381.db2.gz VVHSPLFDWUCVNX-MLCYQJTMSA-N -1 3 287.812 2.389 20 10 CECDHM C[C@H](C[S@](C)=O)N(C)Cc1cccc(Cl)c1[O-] ZINC000131041186 524673878 /nfs/dbraw/zinc/67/38/78/524673878.db2.gz JUQJAQWLMOTIMH-VVVCHXIZSA-N -1 3 275.801 2.244 20 10 CECDHM Cn1c(=O)oc2cc(NC(=O)c3cc([O-])cs3)ccc21 ZINC000732285462 574618022 /nfs/dbraw/zinc/61/80/22/574618022.db2.gz HGHPBBXXVJOWOE-UHFFFAOYSA-N -1 3 290.300 2.151 20 10 CECDHM O=C(NCCOc1ccccc1F)c1cc([O-])cs1 ZINC000732258885 574616160 /nfs/dbraw/zinc/61/61/60/574616160.db2.gz USMBRPOVLASGQU-UHFFFAOYSA-N -1 3 281.308 2.402 20 10 CECDHM O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1cc([O-])cs1 ZINC000732267367 574616408 /nfs/dbraw/zinc/61/64/08/574616408.db2.gz ZIZQGVLLIAURDE-NSHDSACASA-N -1 3 290.344 2.362 20 10 CECDHM O=C(N[C@H]1COc2ccccc2C1)c1cc([O-])cs1 ZINC000732270783 574616785 /nfs/dbraw/zinc/61/67/85/574616785.db2.gz KAZHZMZZYGXDCF-SNVBAGLBSA-N -1 3 275.329 2.187 20 10 CECDHM CCO[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732278178 574617224 /nfs/dbraw/zinc/61/72/24/574617224.db2.gz VMROSDRPQVJFBG-JTQLQIEISA-N -1 3 255.339 2.095 20 10 CECDHM COc1ccnc(COC(=O)c2cc([O-])cs2)c1 ZINC000732353065 574619369 /nfs/dbraw/zinc/61/93/69/574619369.db2.gz LJIMDQOVNWPGGT-UHFFFAOYSA-N -1 3 265.290 2.214 20 10 CECDHM O=C([O-])[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000739582656 574927633 /nfs/dbraw/zinc/92/76/33/574927633.db2.gz HHSKTPIXUMLUSD-CYBMUJFWSA-N -1 3 275.348 2.178 20 10 CECDHM O=C([O-])[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000739582656 574927634 /nfs/dbraw/zinc/92/76/34/574927634.db2.gz HHSKTPIXUMLUSD-CYBMUJFWSA-N -1 3 275.348 2.178 20 10 CECDHM CCOCCC1(CNC(=O)c2cc([O-])cs2)CC1 ZINC000752627059 575312961 /nfs/dbraw/zinc/31/29/61/575312961.db2.gz KDALBVMDVNQMGN-UHFFFAOYSA-N -1 3 269.366 2.390 20 10 CECDHM Cc1ccc(C(=O)NC[C@@H]2CCCCS2)c([O-])c1O ZINC000752798221 575315177 /nfs/dbraw/zinc/31/51/77/575315177.db2.gz QEJLICSGHZYEJG-JTQLQIEISA-N -1 3 281.377 2.422 20 10 CECDHM CCOC(=O)[C@@H](CC1CC1)NCc1ccccc1[O-] ZINC000753567691 575330392 /nfs/dbraw/zinc/33/03/92/575330392.db2.gz HKNOYABIVWWYMM-CYBMUJFWSA-N -1 3 263.337 2.214 20 10 CECDHM O=C([O-])NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834214570 605567682 /nfs/dbraw/zinc/56/76/82/605567682.db2.gz HUVMHLVWBZYRIZ-SNVBAGLBSA-N -1 3 282.315 2.011 20 10 CECDHM O=C([O-])NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834214570 605567685 /nfs/dbraw/zinc/56/76/85/605567685.db2.gz HUVMHLVWBZYRIZ-SNVBAGLBSA-N -1 3 282.315 2.011 20 10 CECDHM CN1CCCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760266 622932518 /nfs/dbraw/zinc/93/25/18/622932518.db2.gz MOBAGGDORMHEAK-LBPRGKRZSA-N -1 3 282.771 2.146 20 10 CECDHM Cn1ncc2c1CCCN(Cc1cccc(F)c1[O-])C2 ZINC000840954517 628864992 /nfs/dbraw/zinc/86/49/92/628864992.db2.gz JKSKXUTXZMKLJO-UHFFFAOYSA-N -1 3 275.327 2.213 20 10 CECDHM C[C@]1(O)CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894044662 629100671 /nfs/dbraw/zinc/10/06/71/629100671.db2.gz WJRXVKSIILZZCJ-ZDUSSCGKSA-N -1 3 257.280 2.017 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000895149602 629963798 /nfs/dbraw/zinc/96/37/98/629963798.db2.gz MCRBGJPGZZZVRF-DTORHVGOSA-N -1 3 261.218 2.367 20 10 CECDHM COC(=O)[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000895331941 630119746 /nfs/dbraw/zinc/11/97/46/630119746.db2.gz CBOSTLQVOZYHQL-JOYOIKCWSA-N -1 3 299.317 2.301 20 10 CECDHM O=C(NCc1c([O-])cccc1F)c1ncoc1C1CC1 ZINC000928705093 631127129 /nfs/dbraw/zinc/12/71/29/631127129.db2.gz DSFXUOSMJDYTDA-UHFFFAOYSA-N -1 3 276.267 2.327 20 10 CECDHM O=C(CC[C@H]1CCCO1)NCc1c([O-])cccc1F ZINC000928711567 631130530 /nfs/dbraw/zinc/13/05/30/631130530.db2.gz IZXZIOLEFNEZRQ-SNVBAGLBSA-N -1 3 267.300 2.107 20 10 CECDHM Cc1cc([O-])c(CN2CC(N3CCCC3=O)C2)c(Cl)c1 ZINC000897784991 631915730 /nfs/dbraw/zinc/91/57/30/631915730.db2.gz PGTLTDMVBBVWPZ-UHFFFAOYSA-N -1 3 294.782 2.161 20 10 CECDHM CC(C)C[C@H](C[NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC000818630423 633966481 /nfs/dbraw/zinc/96/64/81/633966481.db2.gz BCWRVGWZPKRPBQ-LLVKDONJSA-N -1 3 269.316 2.368 20 10 CECDHM CCc1nnc(CNCc2cc(Cl)cc(F)c2[O-])[nH]1 ZINC000824446077 635429882 /nfs/dbraw/zinc/42/98/82/635429882.db2.gz RASKGSKLERYGLS-UHFFFAOYSA-N -1 3 284.722 2.155 20 10 CECDHM CC[C@H]1C(=O)NCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000824708468 635482382 /nfs/dbraw/zinc/48/23/82/635482382.db2.gz FJVINDNOMOEURX-LBPRGKRZSA-N -1 3 282.771 2.064 20 10 CECDHM O=C(NCc1c([O-])cccc1F)[C@]12CCO[C@@H]1CCCC2 ZINC000830179684 637001352 /nfs/dbraw/zinc/00/13/52/637001352.db2.gz BRSGATLYQVTAEB-GDBMZVCRSA-N -1 3 293.338 2.497 20 10 CECDHM CC(C)[C@@H](CO)[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000834053064 637757426 /nfs/dbraw/zinc/75/74/26/637757426.db2.gz LQDAPRWLXUMKSF-OCCSQVGLSA-N -1 3 295.379 2.117 20 10 CECDHM [O-]c1c(CN2CCC(C3OCCO3)CC2)ccc(F)c1F ZINC000876678465 650395462 /nfs/dbraw/zinc/39/54/62/650395462.db2.gz FWTYQQOOEYVECN-UHFFFAOYSA-N -1 3 299.317 2.255 20 10 CECDHM CCO[C@@H]1CCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000837144597 639076556 /nfs/dbraw/zinc/07/65/56/639076556.db2.gz PBHQNRAHMVCCLS-DGCLKSJQSA-N -1 3 279.336 2.175 20 10 CECDHM COc1cc(NC(=O)c2cccc(O)c2[O-])cc(OC)c1 ZINC000126206997 650471459 /nfs/dbraw/zinc/47/14/59/650471459.db2.gz LXBLGLQTGZDSJX-UHFFFAOYSA-N -1 3 289.287 2.367 20 10 CECDHM CN(Cc1cccs1)C(=O)c1cccc(O)c1[O-] ZINC000126255214 650506057 /nfs/dbraw/zinc/50/60/57/650506057.db2.gz KOUCYPBXXNDIDC-UHFFFAOYSA-N -1 3 263.318 2.432 20 10 CECDHM CCNC(=O)CN(CC)Cc1c([O-])cc(C)cc1Cl ZINC000840909595 639582822 /nfs/dbraw/zinc/58/28/22/639582822.db2.gz JUZWDBKKMFEJPC-UHFFFAOYSA-N -1 3 284.787 2.312 20 10 CECDHM Cc1cc([O-])c(CN2CCN3C(=O)CC[C@@H]3C2)c(Cl)c1 ZINC000840913656 639584625 /nfs/dbraw/zinc/58/46/25/639584625.db2.gz ZRJIXOVVLGIJPH-LLVKDONJSA-N -1 3 294.782 2.161 20 10 CECDHM CCCCOCCNC(=O)NCc1c([O-])cccc1F ZINC000915119597 640514945 /nfs/dbraw/zinc/51/49/45/640514945.db2.gz USXOBYLTPIYHKX-UHFFFAOYSA-N -1 3 284.331 2.147 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000843929505 640558253 /nfs/dbraw/zinc/55/82/53/640558253.db2.gz VKNMBCOYEVQIPM-DGCLKSJQSA-N -1 3 291.347 2.129 20 10 CECDHM CSC[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000919480344 641047448 /nfs/dbraw/zinc/04/74/48/641047448.db2.gz JQYMHOXBEYDVKN-QMMMGPOBSA-N -1 3 272.345 2.082 20 10 CECDHM O=C(N[C@H](C1CC1)C1CCOCC1)c1cccc(O)c1[O-] ZINC000846427556 641301214 /nfs/dbraw/zinc/30/12/14/641301214.db2.gz SMDVXICNZLTJPN-CQSZACIVSA-N -1 3 291.347 2.033 20 10 CECDHM Cc1[nH]nc2ncc(NC(=O)c3ccc(C)c(O)c3[O-])cc12 ZINC000182228101 641637120 /nfs/dbraw/zinc/63/71/20/641637120.db2.gz MJABBXJEDLGOKK-UHFFFAOYSA-N -1 3 298.302 2.238 20 10 CECDHM Cc1ccc(C(=O)N(C)c2cccnc2)c([O-])c1O ZINC000182434213 641662890 /nfs/dbraw/zinc/66/28/90/641662890.db2.gz VIHPTRQQFHFQQV-UHFFFAOYSA-N -1 3 258.277 2.078 20 10 CECDHM Cc1cc([O-])c([C@H]2NC(=O)CN2CC(C)C)cc1Cl ZINC000849183702 642280643 /nfs/dbraw/zinc/28/06/43/642280643.db2.gz VVMVBSSHWVGQKZ-AWEZNQCLSA-N -1 3 282.771 2.440 20 10 CECDHM COCc1nnc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])[n-]1 ZINC000850514631 642736958 /nfs/dbraw/zinc/73/69/58/642736958.db2.gz ODRYNRSYVQZLNW-QMMMGPOBSA-N -1 3 296.758 2.161 20 10 CECDHM CCn1cc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])nn1 ZINC000850522345 642739144 /nfs/dbraw/zinc/73/91/44/642739144.db2.gz OVFJTOGZIVJXMU-QMMMGPOBSA-N -1 3 282.294 2.133 20 10 CECDHM [O-]c1c(F)c(F)ccc1CN1CCC[C@H](n2ccnn2)C1 ZINC000877597730 650808126 /nfs/dbraw/zinc/80/81/26/650808126.db2.gz WPXPBCBLKIAKPV-NSHDSACASA-N -1 3 294.305 2.099 20 10 CECDHM COCC(C)(C)CNC(=O)NCc1c([O-])cccc1F ZINC000922579370 643139371 /nfs/dbraw/zinc/13/93/71/643139371.db2.gz UAWPPBBREVKFKK-UHFFFAOYSA-N -1 3 284.331 2.003 20 10 CECDHM CC[C@H](C)[C@H](CNC(=O)NCc1c([O-])cccc1F)OC ZINC000922669875 643192128 /nfs/dbraw/zinc/19/21/28/643192128.db2.gz QDRCEFOEBTYZEF-HZMBPMFUSA-N -1 3 298.358 2.392 20 10 CECDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000923445832 643714687 /nfs/dbraw/zinc/71/46/87/643714687.db2.gz FEUWLRNCKUBVRN-RZGXBDKHSA-N -1 3 296.342 2.142 20 10 CECDHM O=C1N[C@H](c2cc(F)ccc2[O-])N2CCc3ccccc3[C@@H]12 ZINC000877856466 650931423 /nfs/dbraw/zinc/93/14/23/650931423.db2.gz SLQNSYOBYRLCPP-HOTGVXAUSA-N -1 3 298.317 2.259 20 10 CECDHM CO[C@@H](CNC(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC000856224634 644609641 /nfs/dbraw/zinc/60/96/41/644609641.db2.gz HPHJZVVPSLAVNY-AWEZNQCLSA-N -1 3 293.363 2.423 20 10 CECDHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccccc1O ZINC000857471915 644909399 /nfs/dbraw/zinc/90/93/99/644909399.db2.gz LUMAUGGCBBVMAA-UHFFFAOYSA-N -1 3 275.279 2.096 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCN(C)[C@@H](C)[C@@H]2C)c1[O-] ZINC000771467643 646522003 /nfs/dbraw/zinc/52/20/03/646522003.db2.gz UPKGXCBAHSKFIT-QWRGUYRKSA-N -1 3 294.370 2.258 20 10 CECDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)o1 ZINC000773282641 646722504 /nfs/dbraw/zinc/72/25/04/646722504.db2.gz ODKDNODJXSDTCK-UHFFFAOYSA-N -1 3 294.376 2.133 20 10 CECDHM O=C(Nc1cccc2c1OCCO2)c1cccc(O)c1[O-] ZINC000776634304 647080254 /nfs/dbraw/zinc/08/02/54/647080254.db2.gz KAWVVYVFFVGKRF-UHFFFAOYSA-N -1 3 287.271 2.121 20 10 CECDHM O=C(NC[C@H]1CC1(Cl)Cl)c1cccc(O)c1[O-] ZINC000790528483 648427252 /nfs/dbraw/zinc/42/72/52/648427252.db2.gz QHTLGLCRCIVNGD-ZCFIWIBFSA-N -1 3 276.119 2.021 20 10 CECDHM O=C(NCCc1nc2ccccc2o1)c1cccc(O)c1[O-] ZINC000790818312 648452607 /nfs/dbraw/zinc/45/26/07/648452607.db2.gz LJSNXTIBOUZKMU-UHFFFAOYSA-N -1 3 298.298 2.212 20 10 CECDHM Cc1[nH]nc(C(F)F)c1NC(=O)c1cccc(O)c1[O-] ZINC000790912152 648459938 /nfs/dbraw/zinc/45/99/38/648459938.db2.gz YSISNECDHPREEN-UHFFFAOYSA-N -1 3 283.234 2.319 20 10 CECDHM COCCN(CCF)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000696554329 805641214 /nfs/dbraw/zinc/64/12/14/805641214.db2.gz FCKQEGFTMIFUHE-UHFFFAOYSA-N -1 3 287.306 2.152 20 10 CECDHM Cc1cc([N-]S(=O)(=O)c2ccccc2N)cc(C)c1O ZINC001211917002 806404303 /nfs/dbraw/zinc/40/43/03/806404303.db2.gz MLVLKUJGWISLMJ-UHFFFAOYSA-N -1 3 292.360 2.392 20 10 CECDHM [O-]c1c(F)cc(F)cc1CNCc1nccs1 ZINC000708495164 803398872 /nfs/dbraw/zinc/39/88/72/803398872.db2.gz SCRNKQXQGPWRTL-UHFFFAOYSA-N -1 3 256.277 2.417 20 10 CECDHM C[C@H](NCc1cc(Cl)ccc1[O-])c1nncn1C ZINC000037017391 814983992 /nfs/dbraw/zinc/98/39/92/814983992.db2.gz QXMGXZSKWQNYIU-QMMMGPOBSA-N -1 3 266.732 2.025 20 10 CECDHM O=C(Nc1cnc2ccccc2n1)c1cccc(O)c1[O-] ZINC001148212498 814536970 /nfs/dbraw/zinc/53/69/70/814536970.db2.gz ZPPWDBMZCWEKIL-UHFFFAOYSA-N -1 3 281.271 2.293 20 10 CECDHM CN(Cc1cnc(Cl)s1)C(=O)c1cccc(O)c1[O-] ZINC001148211966 814537075 /nfs/dbraw/zinc/53/70/75/814537075.db2.gz FMGQWBOQESESHE-UHFFFAOYSA-N -1 3 298.751 2.480 20 10 CECDHM COC(C)(C)[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC001148214769 814538121 /nfs/dbraw/zinc/53/81/21/814538121.db2.gz WUALOQLDJACEIK-GFCCVEGCSA-N -1 3 279.336 2.127 20 10 CECDHM Cc1nnc(CN[C@@H](C)c2cc(Cl)ccc2[O-])n1C ZINC001116584386 814866880 /nfs/dbraw/zinc/86/68/80/814866880.db2.gz FEICXQJEXCMPHJ-QMMMGPOBSA-N -1 3 280.759 2.333 20 10 CECDHM Cn1cc(NCc2cc3ccccc3cc2[O-])ncc1=O ZINC001171404724 814901922 /nfs/dbraw/zinc/90/19/22/814901922.db2.gz KMGQPXIZFRUPKW-UHFFFAOYSA-N -1 3 281.315 2.251 20 10 CECDHM CC[C@@]12C[C@@H](CO1)N(Cc1c([O-])cccc1F)C2 ZINC001137838755 815695974 /nfs/dbraw/zinc/69/59/74/815695974.db2.gz JVXIFJSNQZOAPC-HZMBPMFUSA-N -1 3 251.301 2.285 20 10 CECDHM CCOC(=O)[C@]12C[C@H]1CCN2Cc1cc(F)ccc1[O-] ZINC001140063726 816183010 /nfs/dbraw/zinc/18/30/10/816183010.db2.gz XSRYLDMJFYZXBM-ABAIWWIYSA-N -1 3 279.311 2.059 20 10 CECDHM [O-]c1cccc(Cl)c1CN1C[C@H](CO)C[C@H](F)C1 ZINC001140338082 816234918 /nfs/dbraw/zinc/23/49/18/816234918.db2.gz UFGSKGKHTKIINO-ZJUUUORDSA-N -1 3 273.735 2.198 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCn2ccnc2C1 ZINC001140463106 816259921 /nfs/dbraw/zinc/25/99/21/816259921.db2.gz SNEHFPDZPJBEST-UHFFFAOYSA-N -1 3 263.728 2.258 20 10 CECDHM CN(Cc1cncnc1)Cc1ccc(Cl)cc1[O-] ZINC001140468330 816261843 /nfs/dbraw/zinc/26/18/43/816261843.db2.gz GHPNXXNDJBPIPD-UHFFFAOYSA-N -1 3 263.728 2.468 20 10 CECDHM CCN(Cc1ccc(Cl)cc1[O-])[C@@H](C)C(=O)OC ZINC001140468658 816263060 /nfs/dbraw/zinc/26/30/60/816263060.db2.gz SUTRINIULLZIEV-VIFPVBQESA-N -1 3 271.744 2.429 20 10 CECDHM COC(=O)[C@H]1CCCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140582407 816290302 /nfs/dbraw/zinc/29/03/02/816290302.db2.gz IGBAXKUQWSEBNX-VIFPVBQESA-N -1 3 285.290 2.055 20 10 CECDHM COC[C@H]1CCCN1Cc1c([O-])cc(F)cc1F ZINC001140583067 816291229 /nfs/dbraw/zinc/29/12/29/816291229.db2.gz VGOXXOYOMGUMBJ-SNVBAGLBSA-N -1 3 257.280 2.281 20 10 CECDHM COC(=O)[C@H]1CN(Cc2c([O-])cc(F)cc2F)CC12CC2 ZINC001140585193 816295321 /nfs/dbraw/zinc/29/53/21/816295321.db2.gz YMAUVIHKEKUGHQ-LLVKDONJSA-N -1 3 297.301 2.055 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CCCC[C@@H]1CO ZINC001142502548 816675622 /nfs/dbraw/zinc/67/56/22/816675622.db2.gz RXEISMSMFRIYMQ-SNVBAGLBSA-N -1 3 257.280 2.017 20 10 CECDHM CCCC[C@H](O)CCC(=O)NCc1c([O-])cccc1F ZINC001178413008 816743457 /nfs/dbraw/zinc/74/34/57/816743457.db2.gz KHFGVHIYQLBBTA-NSHDSACASA-N -1 3 283.343 2.479 20 10 CECDHM O=C(NCC1(CCO)CCCCC1)c1cccc(O)c1[O-] ZINC000185848198 368872302 /nfs/dbraw/zinc/87/23/02/368872302.db2.gz QNURFXUBDIWVOU-UHFFFAOYSA-N -1 3 293.363 2.161 20 10 CECDHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccccc2O)n1 ZINC000192669569 369841084 /nfs/dbraw/zinc/84/10/84/369841084.db2.gz ZXOBPHFZFKECAJ-LLVKDONJSA-N -1 3 273.336 2.389 20 10 CECDHM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(F)ccc1[O-] ZINC000248835409 371252679 /nfs/dbraw/zinc/25/26/79/371252679.db2.gz MHPRNXJMKIWPBL-ZBINZKHDSA-N -1 3 293.338 2.305 20 10 CECDHM CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000189412333 284324977 /nfs/dbraw/zinc/32/49/77/284324977.db2.gz QAVQWWOZQSWLPO-BDAKNGLRSA-N -1 3 286.322 2.188 20 10 CECDHM Cc1cccc2c1OC[C@@H](NC(=O)c1cccc(O)c1[O-])C2 ZINC000366288713 373024181 /nfs/dbraw/zinc/02/41/81/373024181.db2.gz QTCHZVTZCHQUFB-LBPRGKRZSA-N -1 3 299.326 2.140 20 10 CECDHM Cc1ccc(C(=O)N2CCOC3(CCCC3)C2)c([O-])c1O ZINC000271327419 373187140 /nfs/dbraw/zinc/18/71/40/373187140.db2.gz YJEULEITFPFSIL-UHFFFAOYSA-N -1 3 291.347 2.191 20 10 CECDHM CO[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272737994 373635579 /nfs/dbraw/zinc/63/55/79/373635579.db2.gz LLCRLGFEOLMKEZ-NWDGAFQWSA-N -1 3 279.336 2.094 20 10 CECDHM Cc1cc(CNCc2c([O-])cccc2Cl)n(C)n1 ZINC000283921945 375781055 /nfs/dbraw/zinc/78/10/55/375781055.db2.gz LFBIYNUBXYGQHS-UHFFFAOYSA-N -1 3 265.744 2.377 20 10 CECDHM CC[C@H](NCC(=O)NC(C)C)c1ccc(F)cc1[O-] ZINC000285551608 375840121 /nfs/dbraw/zinc/84/01/21/375840121.db2.gz GQHQOKXCWFKBFG-LBPRGKRZSA-N -1 3 268.332 2.097 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1c1cc[nH]n1 ZINC000286073011 296253853 /nfs/dbraw/zinc/25/38/53/296253853.db2.gz RZDWRYZIZFGQPQ-LBPRGKRZSA-N -1 3 287.319 2.188 20 10 CECDHM COC[C@H]1CCN1Cc1cc(Br)ccc1[O-] ZINC000293594591 377647941 /nfs/dbraw/zinc/64/79/41/377647941.db2.gz IRVQJVPXQHXKLP-LLVKDONJSA-N -1 3 286.169 2.375 20 10 CECDHM CN(CC(=O)NCc1cccs1)Cc1ccccc1[O-] ZINC000109769561 394735115 /nfs/dbraw/zinc/73/51/15/394735115.db2.gz NFKIWPIPJWNTEE-UHFFFAOYSA-N -1 3 290.388 2.202 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)CO)c1[O-] ZINC000132098075 394924838 /nfs/dbraw/zinc/92/48/38/394924838.db2.gz DQCWKYHCFMPLHR-MRVPVSSYSA-N -1 3 271.744 2.061 20 10 CECDHM CNC(=O)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000133341284 394948983 /nfs/dbraw/zinc/94/89/83/394948983.db2.gz ZYRLHRQJBHOYMS-UHFFFAOYSA-N -1 3 282.771 2.004 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000368034794 394976142 /nfs/dbraw/zinc/97/61/42/394976142.db2.gz CSRFEAZEEXTFOG-JSGCOSHPSA-N -1 3 297.420 2.210 20 10 CECDHM COC(C)(C)C[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182508983 395242253 /nfs/dbraw/zinc/24/22/53/395242253.db2.gz FSPOFLXZMHKUCW-JTQLQIEISA-N -1 3 281.352 2.340 20 10 CECDHM CCOc1cccc(C[NH2+][C@H](CC(C)C)C(=O)[O-])c1[O-] ZINC000043432019 175043646 /nfs/dbraw/zinc/04/36/46/175043646.db2.gz NIJNPCKHIVEKMU-GFCCVEGCSA-N -1 3 281.352 2.380 20 10 CECDHM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cccc(Cl)c1[O-] ZINC000368974792 267215181 /nfs/dbraw/zinc/21/51/81/267215181.db2.gz PEHTXSIPDAVFJP-CDMKHQONSA-N -1 3 294.782 2.131 20 10 CECDHM C[C@]1(CNC(=O)c2cccc(O)c2[O-])CCO[C@H]1C1CC1 ZINC000370497085 267323973 /nfs/dbraw/zinc/32/39/73/267323973.db2.gz AGYDRXSWERKPNB-GOEBONIOSA-N -1 3 291.347 2.033 20 10 CECDHM COC(=O)[C@]1(F)CCN(Cc2c([O-])cccc2Cl)C1 ZINC000271195886 277146349 /nfs/dbraw/zinc/14/63/49/277146349.db2.gz HKPXJEPOXSWXMA-ZDUSSCGKSA-N -1 3 287.718 2.133 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCC[C@@](F)(CO)C1 ZINC000377707702 329026397 /nfs/dbraw/zinc/02/63/97/329026397.db2.gz XCKGCFRBVOXGAC-ZDUSSCGKSA-N -1 3 273.735 2.342 20 10 CECDHM Cc1ccc(C(=O)N(C)C[C@@H]2CCCCO2)c([O-])c1O ZINC000267599860 328179384 /nfs/dbraw/zinc/17/93/84/328179384.db2.gz PBQAJADFWFDVFO-NSHDSACASA-N -1 3 279.336 2.047 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CC[C@H](n2cncn2)C1 ZINC000377282301 329009682 /nfs/dbraw/zinc/00/96/82/329009682.db2.gz DCOCZZWZPKBOJI-LBPRGKRZSA-N -1 3 278.743 2.084 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](CO)C2)c1[O-] ZINC000050132056 518279850 /nfs/dbraw/zinc/27/98/50/518279850.db2.gz JSYNLUSTSCKCJR-NSHDSACASA-N -1 3 297.782 2.453 20 10 CECDHM C[C@H]1CCN(Cc2c([O-])cccc2Cl)CC[S@]1=O ZINC000277766787 524291607 /nfs/dbraw/zinc/29/16/07/524291607.db2.gz VVHSPLFDWUCVNX-YPMLDQLKSA-N -1 3 287.812 2.389 20 10 CECDHM Cc1cc(Cl)cc(CN(C)Cc2nncn2C)c1[O-] ZINC000290131554 524860572 /nfs/dbraw/zinc/86/05/72/524860572.db2.gz JSUVRYVDQJATLY-UHFFFAOYSA-N -1 3 280.759 2.115 20 10 CECDHM Cc1ccc(C(=O)N2CCCC[C@H]2C[C@@H](C)O)c([O-])c1O ZINC000279860417 526093456 /nfs/dbraw/zinc/09/34/56/526093456.db2.gz SHXMHXYEAIPWJF-NEPJUHHUSA-N -1 3 293.363 2.172 20 10 CECDHM Cc1cccc2nc(CNC(=O)c3cc([O-])cs3)cn21 ZINC000732290824 574618307 /nfs/dbraw/zinc/61/83/07/574618307.db2.gz DBBOVQJGEMRBBJ-UHFFFAOYSA-N -1 3 287.344 2.340 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCN(Cc2ccco2)CC1 ZINC000732258490 574616091 /nfs/dbraw/zinc/61/60/91/574616091.db2.gz CRQKVZHBWJZNRW-UHFFFAOYSA-N -1 3 292.360 2.005 20 10 CECDHM O=C(NCCc1ccc(O)cc1)c1cc([O-])cs1 ZINC000732274140 574617352 /nfs/dbraw/zinc/61/73/52/574617352.db2.gz CXHKYYVMZLLADJ-UHFFFAOYSA-N -1 3 263.318 2.132 20 10 CECDHM Cc1noc(C)c1CCNC(=O)c1cc([O-])cs1 ZINC000732290171 574618538 /nfs/dbraw/zinc/61/85/38/574618538.db2.gz RKRSYRVIEKEZKS-UHFFFAOYSA-N -1 3 266.322 2.031 20 10 CECDHM O=C(COC(=O)c1cc([O-])cs1)N1CCCCCC1 ZINC000732354951 574619650 /nfs/dbraw/zinc/61/96/50/574619650.db2.gz XODCKDGJOAKSNT-UHFFFAOYSA-N -1 3 283.349 2.013 20 10 CECDHM O=C(COC(=O)c1cc([O-])cs1)OCc1ccccc1 ZINC000732355000 574619687 /nfs/dbraw/zinc/61/96/87/574619687.db2.gz ZGYPEIMJQDQTML-UHFFFAOYSA-N -1 3 292.312 2.354 20 10 CECDHM Cc1cc([O-])c(C[N@H+](C)CCCNC(=O)[O-])cc1C ZINC000740089664 574941834 /nfs/dbraw/zinc/94/18/34/574941834.db2.gz ULCVYQVFOQTRLL-UHFFFAOYSA-N -1 3 266.341 2.099 20 10 CECDHM Cc1cc([O-])c(C[N@@H+](C)CCCNC(=O)[O-])cc1C ZINC000740089664 574941835 /nfs/dbraw/zinc/94/18/35/574941835.db2.gz ULCVYQVFOQTRLL-UHFFFAOYSA-N -1 3 266.341 2.099 20 10 CECDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cn1 ZINC000751530943 575291341 /nfs/dbraw/zinc/29/13/41/575291341.db2.gz WLVOQBJLADRWEY-UHFFFAOYSA-N -1 3 274.276 2.062 20 10 CECDHM COC(=O)C1(CNC(=O)c2cc([O-])cs2)CCCCC1 ZINC000753523121 575329029 /nfs/dbraw/zinc/32/90/29/575329029.db2.gz ITLMNLXEVUAFOR-UHFFFAOYSA-N -1 3 297.376 2.307 20 10 CECDHM O=C1NC2(CO1)CCN(Cc1cccc(Cl)c1[O-])CC2 ZINC000753586884 575331175 /nfs/dbraw/zinc/33/11/75/575331175.db2.gz LOUUVIMQDPLCRA-UHFFFAOYSA-N -1 3 296.754 2.120 20 10 CECDHM O=C([O-])c1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000236486368 598195410 /nfs/dbraw/zinc/19/54/10/598195410.db2.gz VJPUVQSVJNGPPC-UHFFFAOYSA-N -1 3 257.289 2.380 20 10 CECDHM Cc1cc([O-])c(CN[C@H](C)C2N=NC(=O)N2C)c(Cl)c1 ZINC000895172261 629997074 /nfs/dbraw/zinc/99/70/74/629997074.db2.gz PDMXQOOSXCQTGB-MRVPVSSYSA-N -1 3 296.758 2.039 20 10 CECDHM Cc1cc([O-])c(CN[C@@H](C)C2N=NC(=O)N2C)c(Cl)c1 ZINC000895172262 629998043 /nfs/dbraw/zinc/99/80/43/629998043.db2.gz PDMXQOOSXCQTGB-QMMMGPOBSA-N -1 3 296.758 2.039 20 10 CECDHM O=C(NCc1c([O-])cccc1F)c1conc1C1CC1 ZINC000928707720 631128907 /nfs/dbraw/zinc/12/89/07/631128907.db2.gz HAAZPDNTTWLOSC-UHFFFAOYSA-N -1 3 276.267 2.327 20 10 CECDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000801328844 631255245 /nfs/dbraw/zinc/25/52/45/631255245.db2.gz MKLZWSWFOXLTJG-UHFFFAOYSA-N -1 3 277.242 2.416 20 10 CECDHM COc1nn(C)cc1CNCc1cc(Cl)cc(F)c1[O-] ZINC000898029424 632023547 /nfs/dbraw/zinc/02/35/47/632023547.db2.gz QVWCLIWQKKCZRG-UHFFFAOYSA-N -1 3 299.733 2.217 20 10 CECDHM CC[C@H]1C(=O)NCCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000898559186 632538290 /nfs/dbraw/zinc/53/82/90/632538290.db2.gz HXMQZOXWAAIGSJ-ZDUSSCGKSA-N -1 3 296.798 2.455 20 10 CECDHM CC1(C)CN(Cc2c([O-])cccc2Cl)C[C@H](CO)O1 ZINC000817413248 633652484 /nfs/dbraw/zinc/65/24/84/633652484.db2.gz UTVDXHXAEJKVQW-SNVBAGLBSA-N -1 3 285.771 2.017 20 10 CECDHM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)NCc1c([O-])cccc1F ZINC000830180083 637001368 /nfs/dbraw/zinc/00/13/68/637001368.db2.gz GZCBMIQHLKFUGG-NHYWBVRUSA-N -1 3 293.338 2.495 20 10 CECDHM Cc1cc(CCC(=O)NCc2c([O-])cccc2F)no1 ZINC000830180107 637001417 /nfs/dbraw/zinc/00/14/17/637001417.db2.gz HVYVLZHBWMDDBL-UHFFFAOYSA-N -1 3 278.283 2.077 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCSC[C@@H]1C1CC1 ZINC000836857078 638728659 /nfs/dbraw/zinc/72/86/59/638728659.db2.gz WZVLTTIQPIWFRZ-LLVKDONJSA-N -1 3 279.361 2.065 20 10 CECDHM CO[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000837017845 639019690 /nfs/dbraw/zinc/01/96/90/639019690.db2.gz RXDVZMVIXVRNNX-STQMWFEESA-N -1 3 291.347 2.127 20 10 CECDHM Cc1cc([O-])c(CN2CCN(C3CC3)C(=O)C2)c(Cl)c1 ZINC000840914856 639584410 /nfs/dbraw/zinc/58/44/10/639584410.db2.gz HFMOUKQDMKWUET-UHFFFAOYSA-N -1 3 294.782 2.161 20 10 CECDHM COC(=O)[C@@H](CC1CC1)NCc1cc(Cl)ccc1[O-] ZINC000840956673 639600479 /nfs/dbraw/zinc/60/04/79/639600479.db2.gz BMIQHICYDMXCGU-GFCCVEGCSA-N -1 3 283.755 2.477 20 10 CECDHM C[C@H](NCc1nnnn1C1CC1)c1ccc(Cl)cc1[O-] ZINC000841747463 639856532 /nfs/dbraw/zinc/85/65/32/639856532.db2.gz BJKUGJVATHHXQV-QMMMGPOBSA-N -1 3 293.758 2.218 20 10 CECDHM O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC000126355123 650578568 /nfs/dbraw/zinc/57/85/68/650578568.db2.gz XKDBAXDMGYLPGW-CHWSQXEVSA-N -1 3 269.300 2.384 20 10 CECDHM Cc1ccc(C(=O)Nc2ccc(O)cc2)c([O-])c1O ZINC000182618320 641683669 /nfs/dbraw/zinc/68/36/69/641683669.db2.gz QAIGIUQSMXAADB-UHFFFAOYSA-N -1 3 259.261 2.364 20 10 CECDHM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000848313490 641961118 /nfs/dbraw/zinc/96/11/18/641961118.db2.gz UTMDLZVFOXZRKK-MGCOHNPYSA-N -1 3 279.336 2.174 20 10 CECDHM CCOc1ccc(C[NH2+]C[C@@H](C(=O)[O-])C(C)C)c([O-])c1 ZINC000848639356 642084695 /nfs/dbraw/zinc/08/46/95/642084695.db2.gz IPEINWLARSXSDQ-CYBMUJFWSA-N -1 3 281.352 2.237 20 10 CECDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])CCS1 ZINC000126565780 650773683 /nfs/dbraw/zinc/77/36/83/650773683.db2.gz DGSKYRHMANZVLK-UHFFFAOYSA-N -1 3 267.350 2.065 20 10 CECDHM O=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c(F)c1[O-] ZINC000877579286 650798057 /nfs/dbraw/zinc/79/80/57/650798057.db2.gz WYXRSTGGVSEUGA-AOOOYVTPSA-N -1 3 267.275 2.366 20 10 CECDHM CC/C=C/CNC(=O)NCc1c([O-])cccc1F ZINC000922696685 643210030 /nfs/dbraw/zinc/21/00/30/643210030.db2.gz OOZGUAJWMNYXDP-ONEGZZNKSA-N -1 3 252.289 2.297 20 10 CECDHM CCn1nccc1CNCc1ccc(F)c(F)c1[O-] ZINC000877643372 650830932 /nfs/dbraw/zinc/83/09/32/650830932.db2.gz ITBVFOVLTZIRCA-UHFFFAOYSA-N -1 3 267.279 2.177 20 10 CECDHM C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cccc(O)c1[O-] ZINC000186944726 643371345 /nfs/dbraw/zinc/37/13/45/643371345.db2.gz YNHTVGKMSJAHIJ-BXUZGUMPSA-N -1 3 293.363 2.423 20 10 CECDHM O=C(NCC[C@H]1CC1(F)F)NCc1c([O-])cccc1F ZINC000923363714 643680123 /nfs/dbraw/zinc/68/01/23/643680123.db2.gz DIIHIJQISXOEIL-QMMMGPOBSA-N -1 3 288.269 2.376 20 10 CECDHM CCn1nccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000853241423 643719485 /nfs/dbraw/zinc/71/94/85/643719485.db2.gz UZVZTBGTUZAFMK-SNVBAGLBSA-N -1 3 290.323 2.368 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCCSC[C@H]1C1CC1 ZINC000888489954 644302917 /nfs/dbraw/zinc/30/29/17/644302917.db2.gz PCLNREZGKCUNLS-LBPRGKRZSA-N -1 3 293.388 2.456 20 10 CECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccon2)c1 ZINC000756639293 644676572 /nfs/dbraw/zinc/67/65/72/644676572.db2.gz ZWPQQFZAXWNQCM-SECBINFHSA-N -1 3 276.292 2.018 20 10 CECDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2csnn2)c1[O-] ZINC000839661811 644766991 /nfs/dbraw/zinc/76/69/91/644766991.db2.gz GMOOJCZUWKQPKX-SSDOTTSWSA-N -1 3 295.339 2.436 20 10 CECDHM C[C@H]1CCN(Cc2cc(Cl)ccc2[O-])CC[S@@]1=O ZINC000763488833 645550524 /nfs/dbraw/zinc/55/05/24/645550524.db2.gz FHIHVIYVTUNPMY-YPMLDQLKSA-N -1 3 287.812 2.389 20 10 CECDHM COC(=O)[C@@H](NCc1cc(F)ccc1[O-])C(C)(C)C ZINC000768518379 646133562 /nfs/dbraw/zinc/13/35/62/646133562.db2.gz CSZMJGASIIXYMD-GFCCVEGCSA-N -1 3 269.316 2.209 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)N(C)C[C@H]2C)c1[O-] ZINC000768762655 646158888 /nfs/dbraw/zinc/15/88/88/646158888.db2.gz FDJCPGBKPWYUIV-WDEREUQCSA-N -1 3 294.370 2.258 20 10 CECDHM [O-]c1c(F)cc(Cl)cc1CN1CCN(C2CC2)CC1 ZINC000775649449 646976016 /nfs/dbraw/zinc/97/60/16/646976016.db2.gz RMCNMPBKTQMUEI-UHFFFAOYSA-N -1 3 284.762 2.465 20 10 CECDHM CCC1(CC)[C@@H](NC(=O)c2cccc(O)c2[O-])C[C@@H]1OC ZINC000776678324 647082034 /nfs/dbraw/zinc/08/20/34/647082034.db2.gz SQGPWJOCDHNRRY-STQMWFEESA-N -1 3 293.363 2.421 20 10 CECDHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2ccccc2O)s1 ZINC000867835029 647973177 /nfs/dbraw/zinc/97/31/77/647973177.db2.gz ZOXCKCIXVUHMNF-MRVPVSSYSA-N -1 3 298.389 2.197 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ccccn1 ZINC000790574821 648432325 /nfs/dbraw/zinc/43/23/25/648432325.db2.gz STXOYSBTWOVGEU-CYBMUJFWSA-N -1 3 284.315 2.470 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC(Oc2ccccc2)C1 ZINC000790642213 648437108 /nfs/dbraw/zinc/43/71/08/648437108.db2.gz CAXDRHRSJSXWJT-UHFFFAOYSA-N -1 3 285.299 2.001 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCc2cccc(F)c2C1 ZINC000790910952 648459738 /nfs/dbraw/zinc/45/97/38/648459738.db2.gz HRZZNPAOTGLDMJ-UHFFFAOYSA-N -1 3 287.290 2.435 20 10 CECDHM COc1ccc(CNC(=O)c2ccccc2[O-])c(O)c1 ZINC000794379809 648860045 /nfs/dbraw/zinc/86/00/45/648860045.db2.gz WSKWXHPKGYWKPH-UHFFFAOYSA-N -1 3 273.288 2.036 20 10 CECDHM O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1cccc(O)c1[O-] ZINC000871120455 649009182 /nfs/dbraw/zinc/00/91/82/649009182.db2.gz PQBPEXYTBBTYKB-KGLIPLIRSA-N -1 3 291.347 2.175 20 10 CECDHM COC(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000124776877 649738186 /nfs/dbraw/zinc/73/81/86/649738186.db2.gz SGGQFPMKLBAVCU-NSHDSACASA-N -1 3 269.728 2.183 20 10 CECDHM COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](C(=O)[O-])C2)c1[O-] ZINC000874053478 649743136 /nfs/dbraw/zinc/74/31/36/649743136.db2.gz CWEGMFMUKNWJML-GVJMRKKJSA-N -1 3 285.727 2.007 20 10 CECDHM CC[C@H](C)NC(=O)[C@@H](C)NCc1cc(F)cc(F)c1[O-] ZINC000882941027 652278770 /nfs/dbraw/zinc/27/87/70/652278770.db2.gz GGZIDBBMDNDDGN-DTWKUNHWSA-N -1 3 286.322 2.063 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)N(C)[C@@H](C)C2)c1[O-] ZINC000135274325 652963487 /nfs/dbraw/zinc/96/34/87/652963487.db2.gz FJFLEWGXKNQYDS-PHIMTYICSA-N -1 3 294.370 2.258 20 10 CECDHM Cc1ccc(CNCc2cccc(Cl)c2[O-])nn1 ZINC000396724325 802427618 /nfs/dbraw/zinc/42/76/18/802427618.db2.gz VCGILLZPTQXWLG-UHFFFAOYSA-N -1 3 263.728 2.434 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1C[C@H](F)C[C@H](CO)C1 ZINC001140461567 802934662 /nfs/dbraw/zinc/93/46/62/802934662.db2.gz MEPVQDMQXFRZKM-JOYOIKCWSA-N -1 3 273.735 2.198 20 10 CECDHM CC(C)[C@H]1C[C@@H](CNC(=O)c2cccc(O)c2[O-])CCO1 ZINC001117826061 814957228 /nfs/dbraw/zinc/95/72/28/814957228.db2.gz LNPCZIIXEDFTEO-SMDDNHRTSA-N -1 3 293.363 2.279 20 10 CECDHM CCO[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335585 807395774 /nfs/dbraw/zinc/39/57/74/807395774.db2.gz CFKQQJACQIISCC-SECBINFHSA-N -1 3 257.280 2.281 20 10 CECDHM CC[C@@H]1COCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037329004 815143396 /nfs/dbraw/zinc/14/33/96/815143396.db2.gz RCLLFVFTAQPPON-CYBMUJFWSA-N -1 3 281.327 2.345 20 10 CECDHM O=C(Nc1ncc(C(F)(F)F)cn1)c1cccc(O)c1[O-] ZINC001148212592 814537148 /nfs/dbraw/zinc/53/71/48/814537148.db2.gz GBTMGJSSDWXHFA-UHFFFAOYSA-N -1 3 299.208 2.159 20 10 CECDHM Cn1cnc2ccc(NC(=O)c3cccc(O)c3[O-])cc21 ZINC001148219094 814537708 /nfs/dbraw/zinc/53/77/08/814537708.db2.gz RWFCZXIUOGPQTO-UHFFFAOYSA-N -1 3 283.287 2.237 20 10 CECDHM O=C(Nc1cnc(C2CC2)s1)c1cc(O)c([O-])c(O)c1 ZINC001148582250 814592303 /nfs/dbraw/zinc/59/23/03/814592303.db2.gz HFGSBWNMLAUJRF-UHFFFAOYSA-N -1 3 292.316 2.390 20 10 CECDHM O=C(NC[C@@]12C[C@@H]1CCCC2)c1cccc(O)c1[O-] ZINC000693583767 814624929 /nfs/dbraw/zinc/62/49/29/814624929.db2.gz YDGQBUJJLFFYKV-ZUZCIYMTSA-N -1 3 261.321 2.408 20 10 CECDHM [O-]c1cccc(F)c1CN1CC2(C1)CCCOC2 ZINC001137833077 815692181 /nfs/dbraw/zinc/69/21/81/815692181.db2.gz RTAURSHSUWPTNW-UHFFFAOYSA-N -1 3 251.301 2.144 20 10 CECDHM CC(C)[C@H]1CN(Cc2c([O-])cccc2F)CCO1 ZINC001137840207 815694025 /nfs/dbraw/zinc/69/40/25/815694025.db2.gz SSSZIPGBKHNQLL-CQSZACIVSA-N -1 3 253.317 2.388 20 10 CECDHM COc1cc2c(cn1)CCN(Cc1cccc(F)c1[O-])C2 ZINC001138130634 815735870 /nfs/dbraw/zinc/73/58/70/815735870.db2.gz DSPUYKFSNYZQLS-UHFFFAOYSA-N -1 3 288.322 2.493 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001139681586 816080167 /nfs/dbraw/zinc/08/01/67/816080167.db2.gz UGCOKMGVVCUIPU-RNCFNFMXSA-N -1 3 269.291 2.281 20 10 CECDHM O=C1CCN(Cc2cc(F)ccc2[O-])CC[C@H]1F ZINC001140058179 816180676 /nfs/dbraw/zinc/18/06/76/816180676.db2.gz TVPMZZMGQZBBDB-LLVKDONJSA-N -1 3 255.264 2.034 20 10 CECDHM COc1ccc(N2CCN(Cc3ccncc3[O-])CC2)cc1 ZINC001140275063 816222034 /nfs/dbraw/zinc/22/20/34/816222034.db2.gz KJAADQOSJKXYGE-UHFFFAOYSA-N -1 3 299.374 2.118 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001140337866 816237152 /nfs/dbraw/zinc/23/71/52/816237152.db2.gz JZMXZLAKEPTDNR-STQMWFEESA-N -1 3 291.725 2.290 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001140462942 816259344 /nfs/dbraw/zinc/25/93/44/816259344.db2.gz OUPVKVURRWYESI-STQMWFEESA-N -1 3 291.725 2.290 20 10 CECDHM COC(=O)[C@@]1(F)CCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140461694 816259421 /nfs/dbraw/zinc/25/94/21/816259421.db2.gz RDSXHKNQHQVBAS-CYBMUJFWSA-N -1 3 287.718 2.133 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@]12CCOC2 ZINC001142531064 816680721 /nfs/dbraw/zinc/68/07/21/816680721.db2.gz OJZAWZUYWXMHRS-ZDUSSCGKSA-N -1 3 255.264 2.035 20 10 CECDHM C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])C(=O)N(C)C ZINC000036794309 361858290 /nfs/dbraw/zinc/85/82/90/361858290.db2.gz PTMQEVNEGRCWMM-ZETCQYMHSA-N -1 3 291.178 2.265 20 10 CECDHM CCOC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])C(C)C ZINC000191441885 369714477 /nfs/dbraw/zinc/71/44/77/369714477.db2.gz DBGUIKWKXGOLFA-LBPRGKRZSA-N -1 3 281.352 2.197 20 10 CECDHM CC(=O)c1cc(F)cc(CN2[C@H](C)CC(O)C[C@H]2C)c1[O-] ZINC000191281815 369697896 /nfs/dbraw/zinc/69/78/96/369697896.db2.gz PDBJBAVLCVKFJN-NXEZZACHSA-N -1 3 295.354 2.468 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)OC[C@@H]2C)c1[O-] ZINC000218348581 370208527 /nfs/dbraw/zinc/20/85/27/370208527.db2.gz HGGGFZFMYJEXCI-VHSXEESVSA-N -1 3 281.327 2.343 20 10 CECDHM C[C@H]1CC[S@@](=O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000365446121 372860783 /nfs/dbraw/zinc/86/07/83/372860783.db2.gz GQVUBLDEHKSZSM-XTZNXHDOSA-N -1 3 287.812 2.389 20 10 CECDHM Cc1ccc(C(=O)N2CC[C@]3(C2)CCCOC3)c([O-])c1O ZINC000368600065 373249477 /nfs/dbraw/zinc/24/94/77/373249477.db2.gz ATYCVVJUYWEJRO-INIZCTEOSA-N -1 3 291.347 2.049 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)c([O-])c1O ZINC000272909362 373705808 /nfs/dbraw/zinc/70/58/08/373705808.db2.gz CVNDAMNVSGZSPF-YPMHNXCESA-N -1 3 293.363 2.340 20 10 CECDHM CCNC(=O)[C@H](C)N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000273407093 373755803 /nfs/dbraw/zinc/75/58/03/373755803.db2.gz ORFPYTFZRLAYES-BDAKNGLRSA-N -1 3 270.760 2.221 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN(C)CCCCO)c1[O-] ZINC000276446857 374233063 /nfs/dbraw/zinc/23/30/63/374233063.db2.gz VIJYNMNLWHYVDV-UHFFFAOYSA-N -1 3 285.771 2.453 20 10 CECDHM CSC[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000294701214 378014102 /nfs/dbraw/zinc/01/41/02/378014102.db2.gz QZCJEXMFFMIWDZ-JTQLQIEISA-N -1 3 281.377 2.313 20 10 CECDHM C[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(Cl)c(Cl)c1[O-] ZINC000295982601 378381346 /nfs/dbraw/zinc/38/13/46/378381346.db2.gz OWWPCNURXXSAJR-BDODKLCJSA-N -1 3 292.162 2.109 20 10 CECDHM CC[C@@H]1C(=O)NCCN1Cc1c([O-])ccc2ccccc21 ZINC000106855447 394725693 /nfs/dbraw/zinc/72/56/93/394725693.db2.gz GACDJKGFAQPAQS-OAHLLOKOSA-N -1 3 284.359 2.256 20 10 CECDHM C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000365676761 394930212 /nfs/dbraw/zinc/93/02/12/394930212.db2.gz OMSCJFPKLBGOAP-LKFCYVNXSA-N -1 3 285.299 2.350 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@]2(CCCCO2)C1 ZINC000373156083 395056195 /nfs/dbraw/zinc/05/61/95/395056195.db2.gz BSWUTWILJMJSSH-MRXNPFEDSA-N -1 3 291.347 2.273 20 10 CECDHM Cc1ncc(CN(C)C(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000182129088 395233885 /nfs/dbraw/zinc/23/38/85/395233885.db2.gz LYRKEJFIVVDDRA-UHFFFAOYSA-N -1 3 292.360 2.443 20 10 CECDHM CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])C[C@@H](C)O1 ZINC000182423995 395242126 /nfs/dbraw/zinc/24/21/26/395242126.db2.gz CHMJNRCGAMFDDZ-MNOVXSKESA-N -1 3 279.336 2.046 20 10 CECDHM C[C@@H](C[S@@](C)=O)N(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293603385 395243321 /nfs/dbraw/zinc/24/33/21/395243321.db2.gz LIBVNLIFHSXXGN-DCXZOGHSSA-N -1 3 293.791 2.384 20 10 CECDHM Cc1cc(Cl)cc(CN(CC(N)=O)C(C)C)c1[O-] ZINC000179579790 395196369 /nfs/dbraw/zinc/19/63/69/395196369.db2.gz GEZIEJDUTNSBRU-UHFFFAOYSA-N -1 3 270.760 2.050 20 10 CECDHM C[C@H](CCc1ccco1)NC(=O)c1cccc(O)c1[O-] ZINC000126321612 260349685 /nfs/dbraw/zinc/34/96/85/260349685.db2.gz HGUTYGCQOHXKCA-SNVBAGLBSA-N -1 3 275.304 2.442 20 10 CECDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000290610082 263117930 /nfs/dbraw/zinc/11/79/30/263117930.db2.gz NTKWZBJYSXVORL-JSGCOSHPSA-N -1 3 291.347 2.127 20 10 CECDHM Cn1cncc1CNCc1cccc(Br)c1[O-] ZINC000278424329 327174211 /nfs/dbraw/zinc/17/42/11/327174211.db2.gz RZSSXZKECHQOIL-UHFFFAOYSA-N -1 3 296.168 2.178 20 10 CECDHM CCCC(=O)N1CCCN(Cc2cccc(F)c2[O-])CC1 ZINC000378492227 329052585 /nfs/dbraw/zinc/05/25/85/329052585.db2.gz GJISGJSJEZOTRK-UHFFFAOYSA-N -1 3 294.370 2.366 20 10 CECDHM Cc1cnn(C2CN(Cc3cc(F)ccc3[O-])C2)c1 ZINC000378497629 329053333 /nfs/dbraw/zinc/05/33/33/329053333.db2.gz NSKCXCWYFJHBJE-UHFFFAOYSA-N -1 3 261.300 2.093 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN(CCO)C2CC2)c1[O-] ZINC000050158201 518278705 /nfs/dbraw/zinc/27/87/05/518278705.db2.gz FBPLWDNUXODBPZ-UHFFFAOYSA-N -1 3 283.755 2.205 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)CCn2cccn2)c1[O-] ZINC000079433922 518284391 /nfs/dbraw/zinc/28/43/91/518284391.db2.gz ZTJHWIQQBVAZNL-UHFFFAOYSA-N -1 3 291.326 2.062 20 10 CECDHM Cc1cc(Cl)cc(CN[C@@H](C)c2ncnn2C)c1[O-] ZINC000276537609 524870967 /nfs/dbraw/zinc/87/09/67/524870967.db2.gz XFTPGPKUHFYNSR-VIFPVBQESA-N -1 3 280.759 2.333 20 10 CECDHM Cc1ccc(C(=O)N2CCC(CCCO)CC2)c([O-])c1O ZINC000272879033 526083024 /nfs/dbraw/zinc/08/30/24/526083024.db2.gz XLWLYWGNDLWPCA-UHFFFAOYSA-N -1 3 293.363 2.031 20 10 CECDHM CN(C)c1cc(F)c(C=C2SC(=O)[N-]C2=O)cc1F ZINC000874929907 649871661 /nfs/dbraw/zinc/87/16/61/649871661.db2.gz SNWXSFLBXWGAJP-ONNFQVAWSA-N -1 3 284.287 2.355 20 10 CECDHM CN(CC(=O)Nc1ccc(O)cc1)Cc1ccccc1[O-] ZINC000731844867 574603809 /nfs/dbraw/zinc/60/38/09/574603809.db2.gz KODNWWILHRFBQN-UHFFFAOYSA-N -1 3 286.331 2.168 20 10 CECDHM COCCN(CC(C)C)C(=O)c1cc([O-])cs1 ZINC000731868526 574604889 /nfs/dbraw/zinc/60/48/89/574604889.db2.gz IGSSPWQZRVOWGX-UHFFFAOYSA-N -1 3 257.355 2.198 20 10 CECDHM CC(C)CCNC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732355474 574619751 /nfs/dbraw/zinc/61/97/51/574619751.db2.gz NYXOXFWSNOZTGF-SECBINFHSA-N -1 3 285.365 2.161 20 10 CECDHM O=C(OCCOCC(F)(F)F)c1cc([O-])cs1 ZINC000733496975 574677640 /nfs/dbraw/zinc/67/76/40/574677640.db2.gz OKSRIXBFZFNEDG-UHFFFAOYSA-N -1 3 270.228 2.189 20 10 CECDHM CCOC[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000733807008 574687378 /nfs/dbraw/zinc/68/73/78/574687378.db2.gz QKAHTQBQJHFPIN-JTQLQIEISA-N -1 3 269.366 2.342 20 10 CECDHM C[C@@H](CNC(=O)c1cc([O-])cs1)c1ccncc1 ZINC000749545909 575225024 /nfs/dbraw/zinc/22/50/24/575225024.db2.gz YBZABAQQAQXCPX-VIFPVBQESA-N -1 3 262.334 2.382 20 10 CECDHM CCO[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000751533926 575291477 /nfs/dbraw/zinc/29/14/77/575291477.db2.gz FACIIYRHSYFKCN-LLVKDONJSA-N -1 3 279.336 2.047 20 10 CECDHM O=C1NC2(CO1)CCN(Cc1cc(Cl)ccc1[O-])CC2 ZINC000753588088 575331227 /nfs/dbraw/zinc/33/12/27/575331227.db2.gz ZSFFLVZUGJFCNQ-UHFFFAOYSA-N -1 3 296.754 2.120 20 10 CECDHM Cc1cc(Br)cc(C[NH2+][C@@H](C)C(=O)[O-])c1[O-] ZINC000820954172 598219794 /nfs/dbraw/zinc/21/97/94/598219794.db2.gz PRSFBFLYGCBSHU-ZETCQYMHSA-N -1 3 288.141 2.026 20 10 CECDHM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1O ZINC000779199526 623398568 /nfs/dbraw/zinc/39/85/68/623398568.db2.gz CZLGFXCKJHLAOM-PRHODGIISA-N -1 3 273.735 2.387 20 10 CECDHM [O-]c1cccc(F)c1CNc1ccc2nnc(C3CC3)n2n1 ZINC000895832987 630370220 /nfs/dbraw/zinc/37/02/20/630370220.db2.gz SEAZVCCRKIMFLN-UHFFFAOYSA-N -1 3 299.309 2.459 20 10 CECDHM COCCCn1nccc1CNCc1c([O-])cccc1F ZINC000896638002 630622145 /nfs/dbraw/zinc/62/21/45/630622145.db2.gz MYPMZJCUIMPNKK-UHFFFAOYSA-N -1 3 293.342 2.054 20 10 CECDHM CC1(C)CO[C@H](CC(=O)NCc2c([O-])cccc2F)C1 ZINC000928710994 631129915 /nfs/dbraw/zinc/12/99/15/631129915.db2.gz OWMAXQCOHKPCMB-SNVBAGLBSA-N -1 3 281.327 2.353 20 10 CECDHM Cc1cc(Cl)nc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000800575300 631135314 /nfs/dbraw/zinc/13/53/14/631135314.db2.gz GDUPRABKMYCFDE-UHFFFAOYSA-N -1 3 292.722 2.385 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCc2cc(F)ccc21 ZINC000801545188 631287240 /nfs/dbraw/zinc/28/72/40/631287240.db2.gz JJNKGHCFRSAASK-UHFFFAOYSA-N -1 3 273.263 2.440 20 10 CECDHM CC[C@@H](NCc1cn(C)nn1)c1cccc(Cl)c1[O-] ZINC000806158760 631721991 /nfs/dbraw/zinc/72/19/91/631721991.db2.gz QTYXVUKWBOSKDP-GFCCVEGCSA-N -1 3 280.759 2.415 20 10 CECDHM CC[C@H](CS(=O)(=O)Nc1ccc([O-])c(Cl)c1)OC ZINC000817356951 633638749 /nfs/dbraw/zinc/63/87/49/633638749.db2.gz ZPOZMPSHGJXPKC-SECBINFHSA-N -1 3 293.772 2.212 20 10 CECDHM CCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000817881838 633750472 /nfs/dbraw/zinc/75/04/72/633750472.db2.gz PTDSIZIPEATBHL-AAEUAGOBSA-N -1 3 293.363 2.334 20 10 CECDHM CCOc1ccc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000817881838 633750482 /nfs/dbraw/zinc/75/04/82/633750482.db2.gz PTDSIZIPEATBHL-AAEUAGOBSA-N -1 3 293.363 2.334 20 10 CECDHM Cc1cc([O-])c(CN2CC(=O)N(C)C[C@@H]2C)cc1Cl ZINC000825628586 635680062 /nfs/dbraw/zinc/68/00/62/635680062.db2.gz AYZXHOZZUQQLIL-JTQLQIEISA-N -1 3 282.771 2.017 20 10 CECDHM Cc1nonc1CNCc1ccc(Br)cc1[O-] ZINC000825922207 635733079 /nfs/dbraw/zinc/73/30/79/635733079.db2.gz LOVDFHLSLPBJQV-UHFFFAOYSA-N -1 3 298.140 2.136 20 10 CECDHM CN(Cc1c([O-])ccc(Cl)c1F)C[C@@H]1COCCO1 ZINC000827140090 636233753 /nfs/dbraw/zinc/23/37/53/636233753.db2.gz HRGZVZMZLOMLEG-SECBINFHSA-N -1 3 289.734 2.032 20 10 CECDHM CC[C@@H](C)NC(=S)NCc1c([O-])cccc1F ZINC000905660155 636369061 /nfs/dbraw/zinc/36/90/61/636369061.db2.gz DZAYUVBICSQNSX-MRVPVSSYSA-N -1 3 256.346 2.294 20 10 CECDHM COC(=O)[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876555693 650323751 /nfs/dbraw/zinc/32/37/51/650323751.db2.gz DCONNEKUYVXDDE-SNVBAGLBSA-N -1 3 285.290 2.055 20 10 CECDHM CCN1C(=O)C(C)(C)N[C@H]1c1cc(Cl)cc(OC)c1[O-] ZINC000840837587 639558052 /nfs/dbraw/zinc/55/80/52/639558052.db2.gz JROCEZCUSDUQPR-GFCCVEGCSA-N -1 3 298.770 2.283 20 10 CECDHM Cc1nc2n(n1)CCN(Cc1c([O-])cc(C)cc1Cl)C2 ZINC000840915274 639584048 /nfs/dbraw/zinc/58/40/48/639584048.db2.gz NTBOWLCGHHCDRS-UHFFFAOYSA-N -1 3 292.770 2.270 20 10 CECDHM CC(C)(C)OCCNC(=O)NCc1c([O-])cccc1F ZINC000915373264 640552955 /nfs/dbraw/zinc/55/29/55/640552955.db2.gz YCWZZEMCCFMHQR-UHFFFAOYSA-N -1 3 284.331 2.146 20 10 CECDHM C[C@H]1CSCCCN1C(=O)c1cccc(O)c1[O-] ZINC000889922920 641723096 /nfs/dbraw/zinc/72/30/96/641723096.db2.gz FAHUNKLVZHHICP-VIFPVBQESA-N -1 3 267.350 2.065 20 10 CECDHM Cc1ccnc([C@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)c1 ZINC000848198507 641922686 /nfs/dbraw/zinc/92/26/86/641922686.db2.gz PBUMADTXWPEKOA-LBPRGKRZSA-N -1 3 298.342 2.431 20 10 CECDHM O=C(NC[C@@H]1CCC2(CCCC2)O1)c1cccc(O)c1[O-] ZINC000848356575 641968576 /nfs/dbraw/zinc/96/85/76/641968576.db2.gz CBDKYZQDNQFHAQ-NSHDSACASA-N -1 3 291.347 2.319 20 10 CECDHM C[C@H]1CN(Cc2ccc(F)c(F)c2[O-])[C@@H](C)CN1C ZINC000877407468 650709798 /nfs/dbraw/zinc/70/97/98/650709798.db2.gz RHHIUNXDXKYXAW-UWVGGRQHSA-N -1 3 270.323 2.195 20 10 CECDHM CC(C)(CCCO)CNC(=O)NCc1c([O-])cccc1F ZINC000921774351 642603606 /nfs/dbraw/zinc/60/36/06/642603606.db2.gz DPXCDWUHGMZMBO-UHFFFAOYSA-N -1 3 298.358 2.129 20 10 CECDHM CCn1cc(CN[C@H](C)c2cc(F)cc(F)c2[O-])nn1 ZINC000850522344 642739369 /nfs/dbraw/zinc/73/93/69/642739369.db2.gz OVFJTOGZIVJXMU-MRVPVSSYSA-N -1 3 282.294 2.133 20 10 CECDHM CO[C@@](C)(CNC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000922554003 643116988 /nfs/dbraw/zinc/11/69/88/643116988.db2.gz APOBUXJEJJOQDL-HNNXBMFYSA-N -1 3 296.342 2.146 20 10 CECDHM CO[C@H]([C@@H](C)NC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000922761701 643245790 /nfs/dbraw/zinc/24/57/90/643245790.db2.gz FQMAHJHAJZGIPH-YMTOWFKASA-N -1 3 296.342 2.144 20 10 CECDHM COc1c([O-])c(CN2CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000877717610 650868322 /nfs/dbraw/zinc/86/83/22/650868322.db2.gz MJFAMBGUCTXSIA-UHFFFAOYSA-N -1 3 266.297 2.151 20 10 CECDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2nc(C)no2)c1[O-] ZINC000754685960 644414753 /nfs/dbraw/zinc/41/47/53/644414753.db2.gz LSGLZGFNEOYHJS-ZETCQYMHSA-N -1 3 293.298 2.276 20 10 CECDHM Cc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])[nH]n1 ZINC000756585956 644672362 /nfs/dbraw/zinc/67/23/62/644672362.db2.gz OZAJJZAEUROZDD-SECBINFHSA-N -1 3 276.296 2.183 20 10 CECDHM C[C@H](NCc1ccn(C)n1)c1cc(F)cc(F)c1[O-] ZINC000756778734 644691620 /nfs/dbraw/zinc/69/16/20/644691620.db2.gz OXUHAYQCALAAMY-QMMMGPOBSA-N -1 3 267.279 2.255 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)N(C)C[C@@H]2C)c1[O-] ZINC000768762653 646159194 /nfs/dbraw/zinc/15/91/94/646159194.db2.gz FDJCPGBKPWYUIV-MNOVXSKESA-N -1 3 294.370 2.258 20 10 CECDHM O=C1OCC[C@H]2CN(Cc3c([O-])cccc3Cl)CCN12 ZINC000770389696 646384601 /nfs/dbraw/zinc/38/46/01/646384601.db2.gz IASOBMNVJGIZTB-JTQLQIEISA-N -1 3 296.754 2.072 20 10 CECDHM CC1(C)CCC[C@@](CO)(NC(=O)c2cccc(O)c2[O-])C1 ZINC000862845308 646582948 /nfs/dbraw/zinc/58/29/48/646582948.db2.gz AQBIVKSQJZMICV-MRXNPFEDSA-N -1 3 293.363 2.159 20 10 CECDHM COc1c([O-])c(CN2CC[C@H](C)[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000775058541 646920478 /nfs/dbraw/zinc/92/04/78/646920478.db2.gz VUYPUEZRLUGKGT-GXSJLCMTSA-N -1 3 298.314 2.489 20 10 CECDHM CCN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775638246 646975004 /nfs/dbraw/zinc/97/50/04/646975004.db2.gz FFGUSTIWGLOXNJ-UHFFFAOYSA-N -1 3 272.751 2.322 20 10 CECDHM O=C(N[C@@H](CCO)c1cccs1)c1cccc(O)c1[O-] ZINC000790907653 648460090 /nfs/dbraw/zinc/46/00/90/648460090.db2.gz JUZUKSFVHPRZBW-JTQLQIEISA-N -1 3 293.344 2.013 20 10 CECDHM CC(C)O[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000790934203 648461813 /nfs/dbraw/zinc/46/18/13/648461813.db2.gz HULBFKDSXQGKJV-QWHCGFSZSA-N -1 3 293.363 2.420 20 10 CECDHM CCOc1cc(O)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000791144176 648484954 /nfs/dbraw/zinc/48/49/54/648484954.db2.gz VZKNZHQZDTVFRF-UHFFFAOYSA-N -1 3 289.287 2.454 20 10 CECDHM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[C@H]1O ZINC000792181280 648620605 /nfs/dbraw/zinc/62/06/05/648620605.db2.gz ZSBVEHBTXQHOGB-GZMMTYOYSA-N -1 3 273.735 2.387 20 10 CECDHM COC1(CNC(=O)c2cccc(O)c2[O-])CCC(C)CC1 ZINC000794021493 648822788 /nfs/dbraw/zinc/82/27/88/648822788.db2.gz HREQSTSUBNIMMN-UHFFFAOYSA-N -1 3 293.363 2.423 20 10 CECDHM CCc1nnc([C@H](C)NCc2cc(F)cc(F)c2[O-])[nH]1 ZINC000883078321 652356551 /nfs/dbraw/zinc/35/65/51/652356551.db2.gz NFRLSOGSHMAIMM-ZETCQYMHSA-N -1 3 282.294 2.202 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CC(N2CCCCC2)C1 ZINC001142527544 806620764 /nfs/dbraw/zinc/62/07/64/806620764.db2.gz YPTAWYQHMHARFW-UHFFFAOYSA-N -1 3 282.334 2.341 20 10 CECDHM C[C@@H](NCc1cc(Cl)ccc1[O-])c1nnc2n1CCC2 ZINC000037149511 815017789 /nfs/dbraw/zinc/01/77/89/815017789.db2.gz HUYRDJXSMSYOFZ-SECBINFHSA-N -1 3 292.770 2.434 20 10 CECDHM CCO[C@@H]1CCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922793724 809183648 /nfs/dbraw/zinc/18/36/48/809183648.db2.gz HPGXOKMDXFFEFM-TZMCWYRMSA-N -1 3 296.342 2.288 20 10 CECDHM Cc1cc(CNCc2ccc(F)c(F)c2[O-])n(C)n1 ZINC000703259230 809633279 /nfs/dbraw/zinc/63/32/79/809633279.db2.gz URCQRDSREMOTRZ-UHFFFAOYSA-N -1 3 267.279 2.002 20 10 CECDHM C[C@H]1COCCN1Cc1c([O-])cccc1Br ZINC000707133947 809881235 /nfs/dbraw/zinc/88/12/35/809881235.db2.gz FFBHWKVYWQSGCA-VIFPVBQESA-N -1 3 286.169 2.375 20 10 CECDHM O=C(N[C@@H]1CCc2ccc(O)cc21)c1cccc(O)c1[O-] ZINC001147953158 814516543 /nfs/dbraw/zinc/51/65/43/814516543.db2.gz ZYPAUGUVSLLXMC-CYBMUJFWSA-N -1 3 285.299 2.221 20 10 CECDHM Cc1cc(C)n2nc(NC(=O)c3cccc(O)c3[O-])cc2n1 ZINC001148212037 814535985 /nfs/dbraw/zinc/53/59/85/814535985.db2.gz ISDNMPPNDGDVLR-UHFFFAOYSA-N -1 3 298.302 2.010 20 10 CECDHM O=C(Nc1cnc(C(F)(F)F)nc1)c1cccc(O)c1[O-] ZINC001148212699 814536687 /nfs/dbraw/zinc/53/66/87/814536687.db2.gz GKDCUFATZIUPAE-UHFFFAOYSA-N -1 3 299.208 2.159 20 10 CECDHM CC(C)CC1(NC(=O)c2cccc(O)c2[O-])CCOCC1 ZINC001148224567 814537715 /nfs/dbraw/zinc/53/77/15/814537715.db2.gz POYUQGSSCWMKPG-UHFFFAOYSA-N -1 3 293.363 2.423 20 10 CECDHM CC(C)[C@@H]1CN(Cc2c([O-])cccc2F)CCO1 ZINC001137840205 815695512 /nfs/dbraw/zinc/69/55/12/815695512.db2.gz SSSZIPGBKHNQLL-AWEZNQCLSA-N -1 3 253.317 2.388 20 10 CECDHM [O-]c1c(F)cccc1CN1CCN(c2nccs2)CC1 ZINC001138122570 815731779 /nfs/dbraw/zinc/73/17/79/815731779.db2.gz NNHHIYILQLVAFX-UHFFFAOYSA-N -1 3 293.367 2.310 20 10 CECDHM Cc1ccc(C(=O)Nc2cc(=O)c(Cl)c[nH]2)c([O-])c1O ZINC001138904218 815924501 /nfs/dbraw/zinc/92/45/01/815924501.db2.gz HQNPFOMHAUZQNU-UHFFFAOYSA-N -1 3 294.694 2.413 20 10 CECDHM [O-]c1cccc(Cl)c1CN1C[C@H](F)C[C@H](CO)C1 ZINC001140338081 816235686 /nfs/dbraw/zinc/23/56/86/816235686.db2.gz UFGSKGKHTKIINO-VHSXEESVSA-N -1 3 273.735 2.198 20 10 CECDHM Cn1cnc2c1CCN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140465396 816259395 /nfs/dbraw/zinc/25/93/95/816259395.db2.gz LULXYVRSPKBRAH-UHFFFAOYSA-N -1 3 277.755 2.337 20 10 CECDHM CCOC(=O)CN(CC)Cc1ccc(Cl)cc1[O-] ZINC001140464451 816260930 /nfs/dbraw/zinc/26/09/30/816260930.db2.gz QKBGYKHZSFIVDX-UHFFFAOYSA-N -1 3 271.744 2.431 20 10 CECDHM CCOC(=O)[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583927 816293231 /nfs/dbraw/zinc/29/32/31/816293231.db2.gz ZAMWLXUTDLZRKS-SECBINFHSA-N -1 3 285.290 2.055 20 10 CECDHM O=C(Cc1ccc2c[nH]nc2c1)NCc1c([O-])cccc1F ZINC001178412832 816744025 /nfs/dbraw/zinc/74/40/25/816744025.db2.gz HJEMNRIEKWONFX-UHFFFAOYSA-N -1 3 299.305 2.267 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN(C)C[C@H](C)O)c1[O-] ZINC000051822182 362439576 /nfs/dbraw/zinc/43/95/76/362439576.db2.gz AXJYQAFYFWRKFQ-QMMMGPOBSA-N -1 3 271.744 2.061 20 10 CECDHM CCC(=O)N1CC[C@H](NCc2c([O-])cccc2Cl)C1 ZINC000134524134 366334386 /nfs/dbraw/zinc/33/43/86/366334386.db2.gz HVCMJEOBTPHTFO-JTQLQIEISA-N -1 3 282.771 2.146 20 10 CECDHM CC[C@]1(C)CN(C(=O)c2ccc(C)c(O)c2[O-])CCO1 ZINC000135446061 366440705 /nfs/dbraw/zinc/44/07/05/366440705.db2.gz QHBBFLDHFKPETL-OAHLLOKOSA-N -1 3 279.336 2.047 20 10 CECDHM CCCC[C@H](NCc1ccccc1[O-])C(=O)OC ZINC000154564468 366779788 /nfs/dbraw/zinc/77/97/88/366779788.db2.gz SQVRWILOESUVHA-LBPRGKRZSA-N -1 3 251.326 2.214 20 10 CECDHM C[C@@H](NCc1cnnn1C)c1cc(Cl)ccc1[O-] ZINC000287264982 376191308 /nfs/dbraw/zinc/19/13/08/376191308.db2.gz IRRZEAATYVYKHG-MRVPVSSYSA-N -1 3 266.732 2.025 20 10 CECDHM C[C@@H](N1CCN(Cc2ccccc2[O-])CC1)C(F)(F)F ZINC000179585014 368342992 /nfs/dbraw/zinc/34/29/92/368342992.db2.gz DLUHCVIMZTTYMI-LLVKDONJSA-N -1 3 288.313 2.461 20 10 CECDHM CC1(O)CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180285946 368376062 /nfs/dbraw/zinc/37/60/62/368376062.db2.gz AVLJGBGVLSKEGM-UHFFFAOYSA-N -1 3 255.745 2.392 20 10 CECDHM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])C(=O)NC(C)(C)C ZINC000181235102 368435067 /nfs/dbraw/zinc/43/50/67/368435067.db2.gz MJBNQZWGYJUUEX-VHSXEESVSA-N -1 3 282.359 2.485 20 10 CECDHM C[C@H](N[C@@H](C)c1cc(Cl)ccc1[O-])C(=O)N(C)C ZINC000188998830 369440313 /nfs/dbraw/zinc/44/03/13/369440313.db2.gz DGOVIDMLXGAOSZ-IUCAKERBSA-N -1 3 270.760 2.173 20 10 CECDHM COC(=O)[C@H](C)N(Cc1ccccc1[O-])C1CCC1 ZINC000191641090 369730022 /nfs/dbraw/zinc/73/00/22/369730022.db2.gz MCOJOFSQMVLCPE-NSHDSACASA-N -1 3 263.337 2.308 20 10 CECDHM CC(C)N1C[C@H](NCc2c([O-])cccc2Cl)CC1=O ZINC000271840756 373203479 /nfs/dbraw/zinc/20/34/79/373203479.db2.gz QRGNKOVVMPWSDO-SNVBAGLBSA-N -1 3 282.771 2.145 20 10 CECDHM [O-]c1c(F)cccc1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000272240432 373377815 /nfs/dbraw/zinc/37/78/15/373377815.db2.gz GJELODGCTPPVCC-NSHDSACASA-N -1 3 279.233 2.030 20 10 CECDHM Cc1ccc(C(=O)NCC[C@H]2CCO[C@@H](C)C2)c([O-])c1O ZINC000273222725 373749751 /nfs/dbraw/zinc/74/97/51/373749751.db2.gz UBXWPYNOOZKLEU-RYUDHWBXSA-N -1 3 293.363 2.341 20 10 CECDHM C[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cnn(C)c1 ZINC000273620689 373768528 /nfs/dbraw/zinc/76/85/28/373768528.db2.gz YZIQLTDDYXBBLV-NXEZZACHSA-N -1 3 290.323 2.446 20 10 CECDHM CC[C@@H](N[C@H](C)c1ncnn1C)c1ccc(F)cc1[O-] ZINC000287385528 376219741 /nfs/dbraw/zinc/21/97/41/376219741.db2.gz ILYAREHWTBIBIW-BXKDBHETSA-N -1 3 278.331 2.462 20 10 CECDHM CCC[C@]1(NC(=O)c2ccc(C)c(O)c2[O-])CCOC1 ZINC000287932385 376344501 /nfs/dbraw/zinc/34/45/01/376344501.db2.gz QZRBASMTRGWTOJ-HNNXBMFYSA-N -1 3 279.336 2.095 20 10 CECDHM Cc1ccc(C(=O)NCC2CC(F)(F)C2)c([O-])c1O ZINC000293659577 377681902 /nfs/dbraw/zinc/68/19/02/377681902.db2.gz MMNFJBFXEXBKGY-UHFFFAOYSA-N -1 3 271.263 2.181 20 10 CECDHM COCC1(CCNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000293891638 377810859 /nfs/dbraw/zinc/81/08/59/377810859.db2.gz LXIFGGLMSCLWMZ-UHFFFAOYSA-N -1 3 279.336 2.034 20 10 CECDHM CCNC(=O)CN(CC)Cc1cc(Cl)c(F)cc1[O-] ZINC000294771490 378018694 /nfs/dbraw/zinc/01/86/94/378018694.db2.gz AZLJRCLQJZDCTC-UHFFFAOYSA-N -1 3 288.750 2.143 20 10 CECDHM CCOC[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000529664263 380182206 /nfs/dbraw/zinc/18/22/06/380182206.db2.gz CBJQHTZVNMZAEE-CYBMUJFWSA-N -1 3 285.771 2.283 20 10 CECDHM CC(=O)N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000124522986 394838791 /nfs/dbraw/zinc/83/87/91/394838791.db2.gz JGZKRDZVZSWTSC-UHFFFAOYSA-N -1 3 282.771 2.100 20 10 CECDHM CC(C)OC[C@H]1CN(Cc2ccccc2[O-])CCO1 ZINC000372115621 395034960 /nfs/dbraw/zinc/03/49/60/395034960.db2.gz FFXPHKXUXMCRPJ-CQSZACIVSA-N -1 3 265.353 2.018 20 10 CECDHM O=C(N[C@H]1C[C@H](CO)c2ccccc21)c1cccc(O)c1[O-] ZINC000372697703 395045119 /nfs/dbraw/zinc/04/51/19/395045119.db2.gz VCIJPDWQNMEANP-YGRLFVJLSA-N -1 3 299.326 2.049 20 10 CECDHM CCCC[C@H](COC)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182473994 395242293 /nfs/dbraw/zinc/24/22/93/395242293.db2.gz ZMRWDGKGOYFQFH-LLVKDONJSA-N -1 3 281.352 2.341 20 10 CECDHM CCOC[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000179498730 395194650 /nfs/dbraw/zinc/19/46/50/395194650.db2.gz LLUSQRVSLBUESV-GFCCVEGCSA-N -1 3 293.363 2.295 20 10 CECDHM CCCCN(Cc1ccccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179553085 395195486 /nfs/dbraw/zinc/19/54/86/395195486.db2.gz AZKUDQCVAGPEOM-CQSZACIVSA-N -1 3 297.420 2.181 20 10 CECDHM COCC[C@H]1COCCN1Cc1c([O-])cccc1Cl ZINC000368269148 267158241 /nfs/dbraw/zinc/15/82/41/267158241.db2.gz FPCNSCURIMKPRF-NSHDSACASA-N -1 3 285.771 2.283 20 10 CECDHM Cc1ccc(N2CCN(Cc3ccccc3[O-])CC2=O)o1 ZINC000368659676 267194746 /nfs/dbraw/zinc/19/47/46/267194746.db2.gz PJPYPGZOBFCPML-UHFFFAOYSA-N -1 3 286.331 2.142 20 10 CECDHM COC[C@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000280840396 293112573 /nfs/dbraw/zinc/11/25/73/293112573.db2.gz AMUACHAAKABINP-YUMQZZPRSA-N -1 3 294.178 2.357 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377707910 329026411 /nfs/dbraw/zinc/02/64/11/329026411.db2.gz WIZHMHRYUQUIMP-HIFRSBDPSA-N -1 3 297.782 2.425 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]([C@H](C)O)C2)c1[O-] ZINC000167858119 331308381 /nfs/dbraw/zinc/30/83/81/331308381.db2.gz GBQVITFSKDDJOC-ONGXEEELSA-N -1 3 297.782 2.451 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@](C)(O)CC2)c1[O-] ZINC000230359021 333316759 /nfs/dbraw/zinc/31/67/59/333316759.db2.gz VUDDFYGKJZSUKG-INIZCTEOSA-N -1 3 295.354 2.471 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCSCC2)c1[O-] ZINC000050133102 518287102 /nfs/dbraw/zinc/28/71/02/518287102.db2.gz IBDMOTNZICCSRP-UHFFFAOYSA-N -1 3 269.341 2.283 20 10 CECDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@H](C)N1C ZINC000141910174 525003127 /nfs/dbraw/zinc/00/31/27/525003127.db2.gz RGEIBELARWGBKE-PHIMTYICSA-N -1 3 252.333 2.056 20 10 CECDHM C[C@H]1OCC[C@@]12CN(Cc1c([O-])cccc1Cl)CCO2 ZINC000279745843 525044706 /nfs/dbraw/zinc/04/47/06/525044706.db2.gz XZBIFOWSHVFIRA-IAQYHMDHSA-N -1 3 297.782 2.425 20 10 CECDHM C[C@H](NCc1c([O-])cccc1Cl)c1nnc2n1CCC2 ZINC000083551781 525427439 /nfs/dbraw/zinc/42/74/39/525427439.db2.gz VFDNEJNHKPCRPK-VIFPVBQESA-N -1 3 292.770 2.434 20 10 CECDHM C[C@@H](N[C@@H](C)c1nncn1C)c1ccc(F)cc1[O-] ZINC000062746963 525625108 /nfs/dbraw/zinc/62/51/08/525625108.db2.gz XDYBETDOFFFZPI-BDAKNGLRSA-N -1 3 264.304 2.072 20 10 CECDHM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1ncnn1C ZINC000276642055 525659563 /nfs/dbraw/zinc/65/95/63/525659563.db2.gz OWOAHINPMHRDGC-RKDXNWHRSA-N -1 3 264.304 2.072 20 10 CECDHM [O-]c1ccc(F)cc1CN1C[C@@H](O)Cc2ccccc21 ZINC000279529853 526348795 /nfs/dbraw/zinc/34/87/95/526348795.db2.gz ZGGUBSXDNCNGGC-AWEZNQCLSA-N -1 3 273.307 2.455 20 10 CECDHM O=C1[N-]C(=O)C(=Cc2cc(F)c(F)c(F)c2)S1 ZINC000874927494 649870476 /nfs/dbraw/zinc/87/04/76/649870476.db2.gz IIXKWSSTCCKESQ-CLTKARDFSA-N -1 3 259.208 2.428 20 10 CECDHM O=C(NCCc1cccs1)c1cc([O-])cs1 ZINC000731861569 574604008 /nfs/dbraw/zinc/60/40/08/574604008.db2.gz GDDURDACMSEWIE-UHFFFAOYSA-N -1 3 253.348 2.488 20 10 CECDHM CCOc1ccc([O-])c([C@@H]2NC3(CCCC3)C(=O)N2C)c1 ZINC000731854574 574604063 /nfs/dbraw/zinc/60/40/63/574604063.db2.gz ZXFKMXMEGZOCKD-CQSZACIVSA-N -1 3 290.363 2.164 20 10 CECDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)CC(C)(C)O1 ZINC000731871460 574604312 /nfs/dbraw/zinc/60/43/12/574604312.db2.gz LRYOJMBSPQCVCY-QMMMGPOBSA-N -1 3 255.339 2.093 20 10 CECDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)NC1CCCCC1 ZINC000731912602 574606079 /nfs/dbraw/zinc/60/60/79/574606079.db2.gz UPRAFYKZVQXJIQ-VIFPVBQESA-N -1 3 297.376 2.448 20 10 CECDHM CNC(=O)c1ccc(C)c(NC(=O)c2cc([O-])cs2)c1 ZINC000732269888 574616991 /nfs/dbraw/zinc/61/69/91/574616991.db2.gz ZVAVWJLHPVYWOD-UHFFFAOYSA-N -1 3 290.344 2.374 20 10 CECDHM CN(Cc1ccc(O)cc1)C(=O)c1cc([O-])cs1 ZINC000732271486 574617050 /nfs/dbraw/zinc/61/70/50/574617050.db2.gz YZKCXPYXLMXQED-UHFFFAOYSA-N -1 3 263.318 2.432 20 10 CECDHM CCCC[C@H](COC)NC(=O)c1cc([O-])cs1 ZINC000736694870 574794884 /nfs/dbraw/zinc/79/48/84/574794884.db2.gz IXFGBBDAGQSJSJ-SECBINFHSA-N -1 3 257.355 2.389 20 10 CECDHM Cc1ccc([O-])c(C[NH2+]C2CCC(NC(=O)[O-])CC2)c1 ZINC000740144659 574945223 /nfs/dbraw/zinc/94/52/23/574945223.db2.gz UKQSRXOMIXRQLT-UHFFFAOYSA-N -1 3 278.352 2.369 20 10 CECDHM Cc1nccn1CCCCNC(=O)c1cc([O-])cs1 ZINC000743562359 575106545 /nfs/dbraw/zinc/10/65/45/575106545.db2.gz ULUYNUZWWPSCMQ-UHFFFAOYSA-N -1 3 279.365 2.169 20 10 CECDHM CCCCOC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000745002769 575130568 /nfs/dbraw/zinc/13/05/68/575130568.db2.gz PWLOTOKNXMMQAO-MRVPVSSYSA-N -1 3 272.322 2.342 20 10 CECDHM C[C@H](NC(=O)c1cc([O-])cs1)C(=O)OC1CCCC1 ZINC000752816601 575315406 /nfs/dbraw/zinc/31/54/06/575315406.db2.gz JZHJGQBWQRHTFA-QMMMGPOBSA-N -1 3 283.349 2.058 20 10 CECDHM Cc1ccc(CN(CCO)C(=O)c2cc([O-])cs2)cc1 ZINC000753477282 575327127 /nfs/dbraw/zinc/32/71/27/575327127.db2.gz ZXFBXHHLFNMBFU-UHFFFAOYSA-N -1 3 291.372 2.397 20 10 CECDHM CCC(CC)(C[NH2+]Cc1ccccc1[O-])NC(=O)[O-] ZINC000826561453 603603079 /nfs/dbraw/zinc/60/30/79/603603079.db2.gz ZVLDSYOXTFDGIO-UHFFFAOYSA-N -1 3 266.341 2.308 20 10 CECDHM O=C([O-])[C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC000405314550 605479858 /nfs/dbraw/zinc/47/98/58/605479858.db2.gz HXZOPDRXDFLEFB-GFCCVEGCSA-N -1 3 279.311 2.218 20 10 CECDHM C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000833815499 605581592 /nfs/dbraw/zinc/58/15/92/605581592.db2.gz VUAALGPKMPZBNJ-GHMZBOCLSA-N -1 3 296.342 2.399 20 10 CECDHM C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000833815499 605581595 /nfs/dbraw/zinc/58/15/95/605581595.db2.gz VUAALGPKMPZBNJ-GHMZBOCLSA-N -1 3 296.342 2.399 20 10 CECDHM CC[C@H]1CN(C)CCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000821338234 634687597 /nfs/dbraw/zinc/68/75/97/634687597.db2.gz YZECCNLEHVHZTE-AWEZNQCLSA-N -1 3 294.370 2.260 20 10 CECDHM CC(=O)OC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894031320 629090221 /nfs/dbraw/zinc/09/02/21/629090221.db2.gz VIHLYRNMAQVBOW-UHFFFAOYSA-N -1 3 285.290 2.198 20 10 CECDHM CN(Cc1cn[nH]c1)Cc1cc(F)cc(F)c1[O-] ZINC000894028971 629095951 /nfs/dbraw/zinc/09/59/51/629095951.db2.gz WDPZMJWHJXPZNP-UHFFFAOYSA-N -1 3 253.252 2.026 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CC[C@H](n2cccn2)C1 ZINC000894816837 629657903 /nfs/dbraw/zinc/65/79/03/629657903.db2.gz WTYIKXYJDVLTNK-LBPRGKRZSA-N -1 3 279.290 2.314 20 10 CECDHM COCc1nnc(NCc2c([O-])cccc2F)s1 ZINC000895832635 630369839 /nfs/dbraw/zinc/36/98/39/630369839.db2.gz JOPRTFGFBRHEHD-UHFFFAOYSA-N -1 3 269.301 2.141 20 10 CECDHM CCc1nn(C)cc1CNCc1c([O-])cccc1F ZINC000896636770 630620540 /nfs/dbraw/zinc/62/05/40/630620540.db2.gz HAMSKWVXBGCZFZ-UHFFFAOYSA-N -1 3 263.316 2.117 20 10 CECDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@](O)(C(F)F)C1 ZINC000824726139 635486465 /nfs/dbraw/zinc/48/64/65/635486465.db2.gz GHHQKXMEABFOBT-LBPRGKRZSA-N -1 3 295.688 2.387 20 10 CECDHM CC(=O)N1CCN(Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000824831668 635505896 /nfs/dbraw/zinc/50/58/96/635505896.db2.gz WJHGNJQSRQKGQX-LLVKDONJSA-N -1 3 296.798 2.407 20 10 CECDHM COC(=O)CN(Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000824919960 635525400 /nfs/dbraw/zinc/52/54/00/635525400.db2.gz CLTMXWPTQMNMOA-UHFFFAOYSA-N -1 3 283.755 2.491 20 10 CECDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@H]1c1cccnc1 ZINC000928706888 631129164 /nfs/dbraw/zinc/12/91/64/631129164.db2.gz YPKHZULKTMTGID-NWDGAFQWSA-N -1 3 286.306 2.346 20 10 CECDHM CCN(CCOCCO)Cc1c([O-])ccc(Cl)c1F ZINC000800531952 631132846 /nfs/dbraw/zinc/13/28/46/631132846.db2.gz INADACMKVPZLJT-UHFFFAOYSA-N -1 3 291.750 2.016 20 10 CECDHM [O-]c1ccc2ccncc2c1CN1CCO[C@@H](C(F)F)C1 ZINC000800852685 631149497 /nfs/dbraw/zinc/14/94/97/631149497.db2.gz LRYYFWMRHRAPAJ-CQSZACIVSA-N -1 3 294.301 2.406 20 10 CECDHM C[C@@H](NCc1cnn(C)n1)c1cc(Cl)ccc1[O-] ZINC000806167276 631723578 /nfs/dbraw/zinc/72/35/78/631723578.db2.gz PTQMVOJOKQQBAU-MRVPVSSYSA-N -1 3 266.732 2.025 20 10 CECDHM O=C(NCc1ccc(O)c(O)c1)c1cc([O-])ccc1Cl ZINC000815835871 633067736 /nfs/dbraw/zinc/06/77/36/633067736.db2.gz IIIBXBPHJRUOOS-UHFFFAOYSA-N -1 3 293.706 2.387 20 10 CECDHM O=C(NC[C@@H]1CC12CCSCC2)c1cccc(O)c1[O-] ZINC000817620076 633708927 /nfs/dbraw/zinc/70/89/27/633708927.db2.gz FYLGJCTWNCTSKW-JTQLQIEISA-N -1 3 293.388 2.361 20 10 CECDHM COc1nn(C)cc1CN[C@H](C)c1c([O-])cccc1F ZINC000903346730 635073906 /nfs/dbraw/zinc/07/39/06/635073906.db2.gz WCNRUFRXNJMIRJ-SECBINFHSA-N -1 3 279.315 2.124 20 10 CECDHM Cc1cc([O-])c(CN2CCCC[C@@H]2C(N)=O)cc1Cl ZINC000824523267 635440645 /nfs/dbraw/zinc/44/06/45/635440645.db2.gz XFLUNUHCDWZLKV-GFCCVEGCSA-N -1 3 282.771 2.194 20 10 CECDHM [O-]c1cccc(F)c1CNC(=S)NCC(F)(F)F ZINC000905660310 636368637 /nfs/dbraw/zinc/36/86/37/636368637.db2.gz HGRCPUQDRKOZIP-UHFFFAOYSA-N -1 3 282.262 2.058 20 10 CECDHM CCNC(=O)C(C)(C)NCc1c([O-])ccc(Cl)c1F ZINC000835076373 638050341 /nfs/dbraw/zinc/05/03/41/638050341.db2.gz OVUAPZZJHUGGHE-UHFFFAOYSA-N -1 3 288.750 2.189 20 10 CECDHM CN(C[Si](C)(C)C)C(=O)c1cccc(O)c1[O-] ZINC000911726667 638377987 /nfs/dbraw/zinc/37/79/87/638377987.db2.gz KINHJWIOKRPEKA-UHFFFAOYSA-N -1 3 253.374 2.047 20 10 CECDHM CS[C@@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000229412865 639698365 /nfs/dbraw/zinc/69/83/65/639698365.db2.gz MXWKXWUKBGCNCJ-RKDXNWHRSA-N -1 3 267.350 2.112 20 10 CECDHM O=C(NCCC1CC1)NCc1c([O-])cccc1F ZINC000920707797 641183155 /nfs/dbraw/zinc/18/31/55/641183155.db2.gz FCJXSKURMWQLCV-UHFFFAOYSA-N -1 3 252.289 2.131 20 10 CECDHM CC1(CNC(=O)NCc2c([O-])cccc2F)CC1 ZINC000921309478 641247611 /nfs/dbraw/zinc/24/76/11/641247611.db2.gz JPHOKPHUEGINGJ-UHFFFAOYSA-N -1 3 252.289 2.131 20 10 CECDHM O=C(N[C@@H](C1CC1)C1CCC1)c1cccc(O)c1[O-] ZINC000325331521 642114283 /nfs/dbraw/zinc/11/42/83/642114283.db2.gz ZQPDUBHZIVICSO-CYBMUJFWSA-N -1 3 261.321 2.406 20 10 CECDHM CC[C@@H]1C[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922331623 643032451 /nfs/dbraw/zinc/03/24/51/643032451.db2.gz CSNJPXJYQPEJQO-LDYMZIIASA-N -1 3 252.289 2.129 20 10 CECDHM Cc1cc([O-])c(CN[C@H](C)c2cn(C)nn2)c(Cl)c1 ZINC000922635837 643174644 /nfs/dbraw/zinc/17/46/44/643174644.db2.gz XWOCMEQWGITEOM-SECBINFHSA-N -1 3 280.759 2.333 20 10 CECDHM CCC[C@@H](CNC(=O)NCc1c([O-])cccc1F)OC ZINC000922660407 643189618 /nfs/dbraw/zinc/18/96/18/643189618.db2.gz XGRSESMENYNNCY-JTQLQIEISA-N -1 3 284.331 2.146 20 10 CECDHM CC/C=C\CNC(=O)NCc1c([O-])cccc1F ZINC000922696684 643210367 /nfs/dbraw/zinc/21/03/67/643210367.db2.gz OOZGUAJWMNYXDP-ARJAWSKDSA-N -1 3 252.289 2.297 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@]3(O)C[C@H]3C2)c1[O-] ZINC000852536961 643464107 /nfs/dbraw/zinc/46/41/07/643464107.db2.gz LJUGRRTWSHGMNX-XHDPSFHLSA-N -1 3 295.766 2.205 20 10 CECDHM O=C(NCC[C@@H]1CC1(F)F)NCc1c([O-])cccc1F ZINC000923363713 643679968 /nfs/dbraw/zinc/67/99/68/643679968.db2.gz DIIHIJQISXOEIL-MRVPVSSYSA-N -1 3 288.269 2.376 20 10 CECDHM CCn1ncc(C)c1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000855750840 644469226 /nfs/dbraw/zinc/46/92/26/644469226.db2.gz ILIOQJDVJIAOOS-UHFFFAOYSA-N -1 3 275.308 2.183 20 10 CECDHM CC1(C)[C@@H](CNC(=O)c2cccc(O)c2[O-])C1(F)F ZINC000856067391 644557379 /nfs/dbraw/zinc/55/73/79/644557379.db2.gz BAEMEKNUZJGWJL-SECBINFHSA-N -1 3 271.263 2.119 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CCSC[C@@H]1CCO ZINC000775737497 646985984 /nfs/dbraw/zinc/98/59/84/646985984.db2.gz NHWCIVDHVUGFTE-NSHDSACASA-N -1 3 287.812 2.345 20 10 CECDHM Cc1ncc(NC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000780995150 647488945 /nfs/dbraw/zinc/48/89/45/647488945.db2.gz JBVSGYRTZXAZIR-UHFFFAOYSA-N -1 3 264.306 2.423 20 10 CECDHM CN(C(=O)c1cccc(O)c1[O-])C1Cc2ccccc2C1 ZINC000790572465 648431547 /nfs/dbraw/zinc/43/15/47/648431547.db2.gz JUENQKWHVMZXLC-UHFFFAOYSA-N -1 3 283.327 2.337 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC(F)(C2CC2)CC1 ZINC000724831257 803307241 /nfs/dbraw/zinc/30/72/41/803307241.db2.gz CZMYEJSACBXYFU-UHFFFAOYSA-N -1 3 279.311 2.452 20 10 CECDHM CO[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000708424092 809929965 /nfs/dbraw/zinc/92/99/65/809929965.db2.gz WNEJPRDXZXOPBD-LLVKDONJSA-N -1 3 257.280 2.281 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCCOC[C@H]2C)c1[O-] ZINC000398896592 813687281 /nfs/dbraw/zinc/68/72/81/813687281.db2.gz BVDCVYWSPIQYKN-SNVBAGLBSA-N -1 3 281.327 2.345 20 10 CECDHM O=C(Nc1cnccc1OC(F)F)c1cccc(O)c1[O-] ZINC001148212059 814536340 /nfs/dbraw/zinc/53/63/40/814536340.db2.gz JTPPQPHAFAOZBD-UHFFFAOYSA-N -1 3 296.229 2.347 20 10 CECDHM O=C(Nc1cc(=O)[nH]c(Cl)c1)c1cccc(O)c1[O-] ZINC001148211882 814536962 /nfs/dbraw/zinc/53/69/62/814536962.db2.gz ARDBVHRGCDOXMO-UHFFFAOYSA-N -1 3 280.667 2.104 20 10 CECDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])c2cc[nH]c2n1 ZINC001148211957 814537161 /nfs/dbraw/zinc/53/71/61/814537161.db2.gz DZBZWLDTSNITPC-UHFFFAOYSA-N -1 3 283.287 2.486 20 10 CECDHM CC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC001138060729 815722757 /nfs/dbraw/zinc/72/27/57/815722757.db2.gz IDFIWVMINALSFQ-AWEZNQCLSA-N -1 3 299.326 2.028 20 10 CECDHM O=C(Cc1ccc(O)c(O)c1)[N-]OCc1ccc(F)cc1 ZINC001138145836 815737621 /nfs/dbraw/zinc/73/76/21/815737621.db2.gz BBRLDCUGKIVKHP-UHFFFAOYSA-N -1 3 291.278 2.027 20 10 CECDHM COC(=O)C[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139687536 816083694 /nfs/dbraw/zinc/08/36/94/816083694.db2.gz ONVNFVXMMZONLS-SECBINFHSA-N -1 3 285.290 2.055 20 10 CECDHM CN(Cc1ccncn1)Cc1ccc(Cl)cc1[O-] ZINC001140468262 816262772 /nfs/dbraw/zinc/26/27/72/816262772.db2.gz CTENEKDSFYBREK-UHFFFAOYSA-N -1 3 263.728 2.468 20 10 CECDHM O=C(Cc1n[nH]c2ccccc21)NCc1c([O-])cccc1F ZINC001178413203 816744105 /nfs/dbraw/zinc/74/41/05/816744105.db2.gz OLJLBAIWGQUTDK-UHFFFAOYSA-N -1 3 299.305 2.267 20 10 CECDHM CC[C@H](N[C@H](C)c1nncn1C)c1ccccc1[O-] ZINC000037016936 361884892 /nfs/dbraw/zinc/88/48/92/361884892.db2.gz QNAIQPLCZIJGER-PWSUYJOCSA-N -1 3 260.341 2.323 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)OC[C@H]2C)c1[O-] ZINC000037323453 361903948 /nfs/dbraw/zinc/90/39/48/361903948.db2.gz HGGGFZFMYJEXCI-NXEZZACHSA-N -1 3 281.327 2.343 20 10 CECDHM CNC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000179701655 344505149 /nfs/dbraw/zinc/50/51/49/344505149.db2.gz BHXHEYMHBQLDAQ-ZDUSSCGKSA-N -1 3 296.798 2.455 20 10 CECDHM C[C@@H](NCc1nnc2n1CCCC2)c1ccccc1[O-] ZINC000179897713 368357093 /nfs/dbraw/zinc/35/70/93/368357093.db2.gz MDIOSSXPSZRYDN-LLVKDONJSA-N -1 3 272.352 2.171 20 10 CECDHM CCOC(=O)[C@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000180766548 368395220 /nfs/dbraw/zinc/39/52/20/368395220.db2.gz AMCZCBNSWMSEPV-GFCCVEGCSA-N -1 3 267.300 2.059 20 10 CECDHM CCc1noc(CC)c1CNC(=O)c1cccc(O)c1[O-] ZINC000185825277 368868317 /nfs/dbraw/zinc/86/83/17/368868317.db2.gz LOKPRSBEJGUJNI-UHFFFAOYSA-N -1 3 290.319 2.141 20 10 CECDHM CCN1CCCN(Cc2cc(Cl)cc(C)c2[O-])CC1=O ZINC000191537850 369722007 /nfs/dbraw/zinc/72/20/07/369722007.db2.gz XBDGMOUBUKCPBL-UHFFFAOYSA-N -1 3 296.798 2.408 20 10 CECDHM Cc1ccc(C(=O)N2CCS[C@@H](C)CC2)c([O-])c1O ZINC000191945906 369755171 /nfs/dbraw/zinc/75/51/71/369755171.db2.gz NDNJWHVIQDELQA-JTQLQIEISA-N -1 3 281.377 2.374 20 10 CECDHM CCOC(=O)[C@H](C)N(Cc1cc(F)ccc1[O-])C1CC1 ZINC000191711451 369736043 /nfs/dbraw/zinc/73/60/43/369736043.db2.gz PXSKIMXEGDRYFE-JTQLQIEISA-N -1 3 281.327 2.447 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](Cc2ccncc2)C1 ZINC000366157895 372992178 /nfs/dbraw/zinc/99/21/78/372992178.db2.gz MVFZHDRWBMAJEG-CYBMUJFWSA-N -1 3 298.342 2.198 20 10 CECDHM COC(=O)[C@@H](CC(C)C)N(C)Cc1ccccc1[O-] ZINC000285492003 375840359 /nfs/dbraw/zinc/84/03/59/375840359.db2.gz DMPWTVODBZVYBD-CYBMUJFWSA-N -1 3 265.353 2.412 20 10 CECDHM CC[C@@H](NCCS(=O)(=O)CC)c1ccc(F)cc1[O-] ZINC000285918638 375844371 /nfs/dbraw/zinc/84/43/71/375844371.db2.gz DQYGIKNWJCKPRK-GFCCVEGCSA-N -1 3 289.372 2.007 20 10 CECDHM CN(C)C(=O)O[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000295210062 378052886 /nfs/dbraw/zinc/05/28/86/378052886.db2.gz ZZFSUIKCCKPVAF-JTQLQIEISA-N -1 3 298.770 2.318 20 10 CECDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295254705 378072566 /nfs/dbraw/zinc/07/25/66/378072566.db2.gz GIDNVBRWNXMEHP-QMMMGPOBSA-N -1 3 287.718 2.180 20 10 CECDHM COC(=O)[C@@H](c1cccnc1)N(C)Cc1ccccc1[O-] ZINC000121138330 394793013 /nfs/dbraw/zinc/79/30/13/394793013.db2.gz NDILEVZRPUKXFO-OAHLLOKOSA-N -1 3 286.331 2.133 20 10 CECDHM O=C(N[C@H]1CCN(Cc2cc(F)ccc2[O-])C1)C1CCC1 ZINC000360670543 394805256 /nfs/dbraw/zinc/80/52/56/394805256.db2.gz IIZWPQNZCNPCEW-AWEZNQCLSA-N -1 3 292.354 2.022 20 10 CECDHM COC1(c2ccccc2)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000376272344 395115289 /nfs/dbraw/zinc/11/52/89/395115289.db2.gz GNDPXBAFFFKRKH-UHFFFAOYSA-N -1 3 299.326 2.096 20 10 CECDHM Cc1ccc(C(=O)NC(C2CC2)C2CC2)c([O-])c1O ZINC000179408196 395193605 /nfs/dbraw/zinc/19/36/05/395193605.db2.gz DSAUBNJDYLZDDV-UHFFFAOYSA-N -1 3 261.321 2.325 20 10 CECDHM Cc1ccc(C(=O)NCCCOC2CCCC2)c([O-])c1O ZINC000182256107 261931427 /nfs/dbraw/zinc/93/14/27/261931427.db2.gz XHAZHHFKYIOOHV-UHFFFAOYSA-N -1 3 293.363 2.485 20 10 CECDHM COCCC(C)(C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000185025683 262038563 /nfs/dbraw/zinc/03/85/63/262038563.db2.gz PGEFIMVSBBHFEH-UHFFFAOYSA-N -1 3 281.352 2.199 20 10 CECDHM CCCCN(Cc1ccccc1[O-])[C@@H](C)c1nnnn1C ZINC000282476118 263076985 /nfs/dbraw/zinc/07/69/85/263076985.db2.gz OGEAHLUZHDOAKR-LBPRGKRZSA-N -1 3 289.383 2.279 20 10 CECDHM CC1(C)[C@H](NC(=O)c2cccc(O)c2[O-])[C@@H]2CCCO[C@H]21 ZINC000370498575 267323882 /nfs/dbraw/zinc/32/38/82/267323882.db2.gz HQOCBVIREAQORZ-ZLKJLUDKSA-N -1 3 291.347 2.031 20 10 CECDHM COC[C@H]1CCCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000375099846 329000476 /nfs/dbraw/zinc/00/04/76/329000476.db2.gz LLTDNMBSXKFUEE-LBPRGKRZSA-N -1 3 293.363 2.295 20 10 CECDHM C[C@@H]1CC(F)(F)CCN1C(=O)c1cccc(O)c1[O-] ZINC000530008408 333518294 /nfs/dbraw/zinc/51/82/94/333518294.db2.gz HTFXRPFFMOQYJV-MRVPVSSYSA-N -1 3 271.263 2.358 20 10 CECDHM CCOCc1nc([C@H](C)NCc2ccccc2[O-])no1 ZINC000291667410 520218297 /nfs/dbraw/zinc/21/82/97/520218297.db2.gz VYYHRAPDHXUOLS-JTQLQIEISA-N -1 3 277.324 2.163 20 10 CECDHM CC[C@H]1CCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000292773288 523173254 /nfs/dbraw/zinc/17/32/54/523173254.db2.gz KQXBKSGKYSWMNS-JTQLQIEISA-N -1 3 266.297 2.293 20 10 CECDHM COC(=O)[C@@]1(C)CCCN1Cc1cccc(F)c1[O-] ZINC000275117451 523829492 /nfs/dbraw/zinc/82/94/92/523829492.db2.gz GDFUYTPGTROZMO-CQSZACIVSA-N -1 3 267.300 2.059 20 10 CECDHM Cc1cc(Cl)cc(CN[C@@H](C)c2ncn(C)n2)c1[O-] ZINC000276170748 524872679 /nfs/dbraw/zinc/87/26/79/524872679.db2.gz HDMHFYLSHJOTBB-VIFPVBQESA-N -1 3 280.759 2.333 20 10 CECDHM Cc1ccc([O-])c(CNCc2ccc(N(C)C)cc2)n1 ZINC000103341113 525351324 /nfs/dbraw/zinc/35/13/24/525351324.db2.gz NZNAHIDIHCMGRR-UHFFFAOYSA-N -1 3 271.364 2.451 20 10 CECDHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1nncn1C ZINC000062746962 525530981 /nfs/dbraw/zinc/53/09/81/525530981.db2.gz XDYBETDOFFFZPI-IUCAKERBSA-N -1 3 264.304 2.072 20 10 CECDHM Cc1noc([C@@H]2CCCN2Cc2ccccc2[O-])n1 ZINC000289910494 526654582 /nfs/dbraw/zinc/65/45/82/526654582.db2.gz UYLLBROHECOVOU-LBPRGKRZSA-N -1 3 259.309 2.421 20 10 CECDHM CCC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732352693 574619485 /nfs/dbraw/zinc/61/94/85/574619485.db2.gz CDVIXKYXDPQIRC-RKDXNWHRSA-N -1 3 285.365 2.304 20 10 CECDHM CC(C)c1nc(COC(=O)c2cc([O-])cs2)no1 ZINC000732354105 574619639 /nfs/dbraw/zinc/61/96/39/574619639.db2.gz ZUOUCFHYNSCUMK-UHFFFAOYSA-N -1 3 268.294 2.317 20 10 CECDHM O=C([O-])C1CC[NH+](Cc2cc3c(cc2[O-])CCC3)CC1 ZINC000740482173 574955775 /nfs/dbraw/zinc/95/57/75/574955775.db2.gz ONDNUNFUVKGJCW-UHFFFAOYSA-N -1 3 275.348 2.178 20 10 CECDHM CCc1cnc(CCNC(=O)c2cc([O-])cs2)s1 ZINC000743738508 575109339 /nfs/dbraw/zinc/10/93/39/575109339.db2.gz JONYIWSEGNNUDH-UHFFFAOYSA-N -1 3 282.390 2.445 20 10 CECDHM CC[C@@H]1CN(C(=O)c2cc([O-])cs2)CCS1 ZINC000743801423 575109650 /nfs/dbraw/zinc/10/96/50/575109650.db2.gz OKFVFTRSMBHDAT-SECBINFHSA-N -1 3 257.380 2.421 20 10 CECDHM CN(Cc1ccc(C(=O)[O-])o1)Cc1ccccc1O ZINC000724850541 600313657 /nfs/dbraw/zinc/31/36/57/600313657.db2.gz BRGHEQJUWHUPGC-UHFFFAOYSA-N -1 3 261.277 2.315 20 10 CECDHM Cc1ccc(C(=O)N2CCOc3ccccc32)c([O-])c1O ZINC000179423517 625441601 /nfs/dbraw/zinc/44/16/01/625441601.db2.gz ZNHUNTDICSCYDM-UHFFFAOYSA-N -1 3 285.299 2.445 20 10 CECDHM O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000086773086 623350365 /nfs/dbraw/zinc/35/03/65/623350365.db2.gz YLJQNNIAIQTJNQ-GFCCVEGCSA-N -1 3 289.253 2.231 20 10 CECDHM O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000086773086 623350370 /nfs/dbraw/zinc/35/03/70/623350370.db2.gz YLJQNNIAIQTJNQ-GFCCVEGCSA-N -1 3 289.253 2.231 20 10 CECDHM Cc1nc(NCc2ccc(N(C)C)cc2)cc(=O)[n-]1 ZINC000891577286 623799287 /nfs/dbraw/zinc/79/92/87/623799287.db2.gz BAZKEGZTGDCZKN-UHFFFAOYSA-N -1 3 258.325 2.169 20 10 CECDHM CCc1cnc(CCNC(=O)c2cccc(O)c2[O-])s1 ZINC000185755296 628238056 /nfs/dbraw/zinc/23/80/56/628238056.db2.gz GDWAQONKORNBJP-UHFFFAOYSA-N -1 3 292.360 2.089 20 10 CECDHM Cc1c(CN(C)Cc2cc(F)cc(F)c2[O-])cnn1C ZINC000894597065 629555207 /nfs/dbraw/zinc/55/52/07/629555207.db2.gz SWMSBKMSUCLZKM-UHFFFAOYSA-N -1 3 281.306 2.344 20 10 CECDHM C[C@@H]1NC(=O)[C@H](C)N(Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000895113761 629914057 /nfs/dbraw/zinc/91/40/57/629914057.db2.gz KDCPPPUASINNGI-GUBZILKMSA-N -1 3 282.771 2.143 20 10 CECDHM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1O ZINC000797819270 630760336 /nfs/dbraw/zinc/76/03/36/630760336.db2.gz COIDCESVIYHHPM-UHFFFAOYSA-N -1 3 297.307 2.341 20 10 CECDHM C[C@@H]1C[C@@H](CCNC(=O)c2cccc(O)c2[O-])C[C@H](C)O1 ZINC000802196942 631400437 /nfs/dbraw/zinc/40/04/37/631400437.db2.gz BOCCQQBIJSGUPN-ZSBIGDGJSA-N -1 3 293.363 2.421 20 10 CECDHM Cc1cc([O-])c(CN2CC(N3CCCC3=O)C2)cc1Cl ZINC000897784866 631915601 /nfs/dbraw/zinc/91/56/01/631915601.db2.gz LFMNRYUHIWFJCJ-UHFFFAOYSA-N -1 3 294.782 2.161 20 10 CECDHM [O-]c1ccc2ccncc2c1CN1CCOCC(F)(F)C1 ZINC000808233478 631939609 /nfs/dbraw/zinc/93/96/09/631939609.db2.gz FBHRSYIGJGKARD-UHFFFAOYSA-N -1 3 294.301 2.408 20 10 CECDHM O=C(Nc1ccc2c(c1)C(=O)OC2)c1cccc(O)c1[O-] ZINC000813870136 632749975 /nfs/dbraw/zinc/74/99/75/632749975.db2.gz RXDPGVPGQZYKAZ-UHFFFAOYSA-N -1 3 285.255 2.021 20 10 CECDHM [O-]c1c(CNCc2nnnn2C2CC2)ccc2ccccc21 ZINC000816554944 633411951 /nfs/dbraw/zinc/41/19/51/633411951.db2.gz NYOUKUCUKZFZMH-UHFFFAOYSA-N -1 3 295.346 2.157 20 10 CECDHM COC(=O)C1(C)CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000822534768 634938762 /nfs/dbraw/zinc/93/87/62/634938762.db2.gz WOKZRNRVAFLBTA-UHFFFAOYSA-N -1 3 269.728 2.041 20 10 CECDHM C[C@@H](NCc1cn(C)cn1)c1cc(F)cc(F)c1[O-] ZINC000903352986 635081304 /nfs/dbraw/zinc/08/13/04/635081304.db2.gz YAXOTVWAQHWHGS-MRVPVSSYSA-N -1 3 267.279 2.255 20 10 CECDHM [O-]c1cc(Br)ccc1CN1CCO[C@H]2C[C@H]21 ZINC000825965274 635739207 /nfs/dbraw/zinc/73/92/07/635739207.db2.gz WYPYLHLDGIUBTA-PWSUYJOCSA-N -1 3 284.153 2.128 20 10 CECDHM COC[C@H]1CCN1Cc1ccc(Br)cc1[O-] ZINC000826011398 635745535 /nfs/dbraw/zinc/74/55/35/635745535.db2.gz HFHSQRUBQQMZRV-LLVKDONJSA-N -1 3 286.169 2.375 20 10 CECDHM COc1ccc(OC)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000126207724 650472370 /nfs/dbraw/zinc/47/23/70/650472370.db2.gz PUUYQCNXMKAFNE-UHFFFAOYSA-N -1 3 289.287 2.367 20 10 CECDHM [O-]c1ccc(Br)cc1CNCc1ccon1 ZINC000165147429 639416846 /nfs/dbraw/zinc/41/68/46/639416846.db2.gz WOYTZIUKQHTOKL-UHFFFAOYSA-N -1 3 283.125 2.433 20 10 CECDHM Cc1cc([O-])c(CN(C)CCN2CCCC2=O)c(Cl)c1 ZINC000840918814 639585575 /nfs/dbraw/zinc/58/55/75/639585575.db2.gz ZKKXVDKMXSWWCG-UHFFFAOYSA-N -1 3 296.798 2.408 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@@H](C)C[C@@H]2C(N)=O)c(Cl)c1 ZINC000840939257 639594669 /nfs/dbraw/zinc/59/46/69/639594669.db2.gz LRCYKKIQUVKECI-NOZJJQNGSA-N -1 3 296.798 2.440 20 10 CECDHM CC(C)NC(=O)[C@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000840974334 639606244 /nfs/dbraw/zinc/60/62/44/639606244.db2.gz GRORPQNOEGVUFH-QMMMGPOBSA-N -1 3 288.750 2.187 20 10 CECDHM O=C(N[C@H]1C[C@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC000126354461 650577785 /nfs/dbraw/zinc/57/77/85/650577785.db2.gz XKDBAXDMGYLPGW-STQMWFEESA-N -1 3 269.300 2.384 20 10 CECDHM CSC[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000919480342 641047702 /nfs/dbraw/zinc/04/77/02/641047702.db2.gz JQYMHOXBEYDVKN-MRVPVSSYSA-N -1 3 272.345 2.082 20 10 CECDHM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])[C@H](C)CN1C ZINC000877407467 650709982 /nfs/dbraw/zinc/70/99/82/650709982.db2.gz RHHIUNXDXKYXAW-NXEZZACHSA-N -1 3 270.323 2.195 20 10 CECDHM CC(C)SCCNC(=O)NCc1c([O-])cccc1F ZINC000922477153 643087479 /nfs/dbraw/zinc/08/74/79/643087479.db2.gz UTPWBEFAHDLCEO-UHFFFAOYSA-N -1 3 286.372 2.472 20 10 CECDHM CO[C@](C)(CNC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000922554004 643117857 /nfs/dbraw/zinc/11/78/57/643117857.db2.gz APOBUXJEJJOQDL-OAHLLOKOSA-N -1 3 296.342 2.146 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NCC1CC(F)(F)C1 ZINC000922569137 643130710 /nfs/dbraw/zinc/13/07/10/643130710.db2.gz QIGFWSAOCGTJFR-UHFFFAOYSA-N -1 3 288.269 2.376 20 10 CECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000922970357 643488594 /nfs/dbraw/zinc/48/85/94/643488594.db2.gz DLBOWJMDAFFGDQ-ILWJIGKKSA-N -1 3 264.300 2.129 20 10 CECDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2nc(C)no2)c1[O-] ZINC000754685955 644414673 /nfs/dbraw/zinc/41/46/73/644414673.db2.gz LSGLZGFNEOYHJS-SSDOTTSWSA-N -1 3 293.298 2.276 20 10 CECDHM O=C1N[C@@H](c2cc(F)ccc2[O-])N2Cc3ccccc3C[C@@H]12 ZINC000877867042 650932684 /nfs/dbraw/zinc/93/26/84/650932684.db2.gz RVCZZJKRXFHWMX-GOEBONIOSA-N -1 3 298.317 2.087 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC(c2ccon2)CC1 ZINC000856173936 644595132 /nfs/dbraw/zinc/59/51/32/644595132.db2.gz UXDGPXMRBFSUMW-UHFFFAOYSA-N -1 3 288.303 2.106 20 10 CECDHM CC(C)C[C@H](C(=O)[O-])[N@H+](C)Cc1ccccc1[O-] ZINC000863526037 646747232 /nfs/dbraw/zinc/74/72/32/646747232.db2.gz JMWZSGGTDIHCTL-GFCCVEGCSA-N -1 3 251.326 2.323 20 10 CECDHM CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[O-] ZINC000863526037 646747233 /nfs/dbraw/zinc/74/72/33/646747233.db2.gz JMWZSGGTDIHCTL-GFCCVEGCSA-N -1 3 251.326 2.323 20 10 CECDHM Cc1ncsc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780970533 647486591 /nfs/dbraw/zinc/48/65/91/647486591.db2.gz YSFAUCZUMDIBOE-UHFFFAOYSA-N -1 3 264.306 2.423 20 10 CECDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccncc1 ZINC000790863475 648456056 /nfs/dbraw/zinc/45/60/56/648456056.db2.gz BCAUGOUQAURNOI-SNVBAGLBSA-N -1 3 272.304 2.026 20 10 CECDHM Cc1cc2c(cc1NC(=O)c1cccc(O)c1[O-])OCO2 ZINC000790927873 648460985 /nfs/dbraw/zinc/46/09/85/648460985.db2.gz MNJOIWTXLWNFOR-UHFFFAOYSA-N -1 3 287.271 2.387 20 10 CECDHM Cc1[nH]nc(NC(=O)c2cccc(O)c2[O-])c1Cl ZINC000790995615 648470295 /nfs/dbraw/zinc/47/02/95/648470295.db2.gz RVLPHRIJNJKYQC-UHFFFAOYSA-N -1 3 267.672 2.035 20 10 CECDHM CC(C)(NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCCO1 ZINC000871168159 649022770 /nfs/dbraw/zinc/02/27/70/649022770.db2.gz CQJGCPRXUCWELM-LBPRGKRZSA-N -1 3 279.336 2.175 20 10 CECDHM CN(CCN1CCCC1=O)Cc1c([O-])cccc1Cl ZINC000124199490 649451078 /nfs/dbraw/zinc/45/10/78/649451078.db2.gz IMHKMLUZRUYBDS-UHFFFAOYSA-N -1 3 282.771 2.100 20 10 CECDHM CCC[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])C1CC1 ZINC000873640906 649716545 /nfs/dbraw/zinc/71/65/45/649716545.db2.gz LHYPSPZJLYWUPR-AWEZNQCLSA-N -1 3 263.337 2.467 20 10 CECDHM CCC[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])C1CC1 ZINC000873640906 649716548 /nfs/dbraw/zinc/71/65/48/649716548.db2.gz LHYPSPZJLYWUPR-AWEZNQCLSA-N -1 3 263.337 2.467 20 10 CECDHM [O-]c1c(Br)cccc1CN1CCC[C@@H](O)C1 ZINC000127988185 651347540 /nfs/dbraw/zinc/34/75/40/651347540.db2.gz LRZXUHHRIQUTRA-SNVBAGLBSA-N -1 3 286.169 2.111 20 10 CECDHM CC(C)(C)N1CC[C@H](NCc2cc(F)cc(F)c2[O-])C1=O ZINC000883152304 652381262 /nfs/dbraw/zinc/38/12/62/652381262.db2.gz QVXBCDSZISLYQX-LBPRGKRZSA-N -1 3 298.333 2.159 20 10 CECDHM COC(=O)[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CC12CC2 ZINC001142534242 806623643 /nfs/dbraw/zinc/62/36/43/806623643.db2.gz BBZCOTDNFSEEST-SNVBAGLBSA-N -1 3 297.301 2.055 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CC(N2CC[C@H](F)C2)C1 ZINC001140341545 802840553 /nfs/dbraw/zinc/84/05/53/802840553.db2.gz VGLLJSLSAKYSOS-JTQLQIEISA-N -1 3 284.762 2.274 20 10 CECDHM CO[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000188252420 803777378 /nfs/dbraw/zinc/77/73/78/803777378.db2.gz RXMDTVXAOQMAHD-CQSZACIVSA-N -1 3 287.315 2.215 20 10 CECDHM C[C@@H](NCc1cc(F)cc(F)c1[O-])C(=O)NC(C)(C)C ZINC000708393905 809929002 /nfs/dbraw/zinc/92/90/02/809929002.db2.gz LRPNPOZTSCNIQV-MRVPVSSYSA-N -1 3 286.322 2.063 20 10 CECDHM CC(C)OCC(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000396394962 812253335 /nfs/dbraw/zinc/25/33/35/812253335.db2.gz VGPUKEFBKWGTLX-UHFFFAOYSA-N -1 3 267.325 2.031 20 10 CECDHM C[C@]1(F)CCN(C(=O)c2cccc(O)c2[O-])C[C@@H]1F ZINC001148211909 814536109 /nfs/dbraw/zinc/53/61/09/814536109.db2.gz BVMFJNKQXYXVAV-GWCFXTLKSA-N -1 3 271.263 2.010 20 10 CECDHM C[C@H]1CCCCN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148582862 814592281 /nfs/dbraw/zinc/59/22/81/814592281.db2.gz OBMIAGCBLLPPAT-VIFPVBQESA-N -1 3 265.309 2.066 20 10 CECDHM [O-]c1cccc(F)c1CN1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001137832640 815690722 /nfs/dbraw/zinc/69/07/22/815690722.db2.gz BSTVVRIRLCGSGM-SCZZXKLOSA-N -1 3 293.260 2.134 20 10 CECDHM [O-]c1cccc(F)c1CN1CCc2cnccc2C1 ZINC001137831849 815691494 /nfs/dbraw/zinc/69/14/94/815691494.db2.gz PSAYUVUTPIJSJL-UHFFFAOYSA-N -1 3 258.296 2.485 20 10 CECDHM COC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1[O-] ZINC001140461129 816258619 /nfs/dbraw/zinc/25/86/19/816258619.db2.gz DTIPAEBAVJAAMT-NSHDSACASA-N -1 3 269.728 2.183 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCCC[C@@](O)(CF)C1 ZINC001140582069 816291851 /nfs/dbraw/zinc/29/18/51/816291851.db2.gz BEBGAUIEPUYFAS-CQSZACIVSA-N -1 3 289.297 2.357 20 10 CECDHM C[C@@]1(O)CCCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583869 816293259 /nfs/dbraw/zinc/29/32/59/816293259.db2.gz WSWJTIQQEPPDGL-CYBMUJFWSA-N -1 3 257.280 2.017 20 10 CECDHM COC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142508859 816677231 /nfs/dbraw/zinc/67/72/31/816677231.db2.gz OFILRTWNRQXDGQ-UHFFFAOYSA-N -1 3 257.280 2.281 20 10 CECDHM COc1ccnc(CN(C)Cc2ccccc2[O-])c1 ZINC000111235370 364724254 /nfs/dbraw/zinc/72/42/54/364724254.db2.gz LSPVHMRHCIHSTJ-UHFFFAOYSA-N -1 3 258.321 2.428 20 10 CECDHM [O-]c1ccc(F)cc1CN[C@H](CCO)c1ccco1 ZINC000187528272 369172517 /nfs/dbraw/zinc/17/25/17/369172517.db2.gz UFTYXENGSRJBPU-GFCCVEGCSA-N -1 3 265.284 2.338 20 10 CECDHM O=C(N[C@H]1COc2cccc(F)c21)c1cccc(O)c1[O-] ZINC000365757021 372926350 /nfs/dbraw/zinc/92/63/50/372926350.db2.gz GNJMRIGZQBYDBU-JTQLQIEISA-N -1 3 289.262 2.100 20 10 CECDHM Cc1cnc(N2CCN(Cc3ccccc3[O-])CC2)s1 ZINC000271247211 373185371 /nfs/dbraw/zinc/18/53/71/373185371.db2.gz CTBXYVFRPOELAH-UHFFFAOYSA-N -1 3 289.404 2.479 20 10 CECDHM Cc1cc(Cl)cc(CN(C)[C@@H]2CCN(C)C2=O)c1[O-] ZINC000271785499 373201415 /nfs/dbraw/zinc/20/14/15/373201415.db2.gz IFFDGPKKIWVVGO-GFCCVEGCSA-N -1 3 282.771 2.017 20 10 CECDHM Cc1cc(Cl)cc(CN(C)[C@H]2CCN(C)C2=O)c1[O-] ZINC000271785500 373201722 /nfs/dbraw/zinc/20/17/22/373201722.db2.gz IFFDGPKKIWVVGO-LBPRGKRZSA-N -1 3 282.771 2.017 20 10 CECDHM [O-]c1c(F)cccc1CN1CCN(CC2CC2)CC1 ZINC000272218895 373367977 /nfs/dbraw/zinc/36/79/77/373367977.db2.gz BOVADJWKAGSKJW-UHFFFAOYSA-N -1 3 264.344 2.059 20 10 CECDHM Cc1n[nH]cc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273538223 373761905 /nfs/dbraw/zinc/76/19/05/373761905.db2.gz XRJZJYKIGPGOME-VIFPVBQESA-N -1 3 276.296 2.183 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@]2(CCOC2)C1 ZINC000274416726 373913786 /nfs/dbraw/zinc/91/37/86/373913786.db2.gz KHIAVCIXDUVKGN-CQSZACIVSA-N -1 3 283.755 2.037 20 10 CECDHM O=C(N[C@H]1CCc2ccccc2OC1)c1cccc(O)c1[O-] ZINC000374877801 374634190 /nfs/dbraw/zinc/63/41/90/374634190.db2.gz MNYOXWKSNHGOAB-LBPRGKRZSA-N -1 3 299.326 2.221 20 10 CECDHM CC[C@H](NCc1nncn1CC)c1ccc(F)cc1[O-] ZINC000285687696 375842089 /nfs/dbraw/zinc/84/20/89/375842089.db2.gz OFXAXUHBDQFBEB-LBPRGKRZSA-N -1 3 278.331 2.384 20 10 CECDHM CC[C@H](NCC(=O)N(C)CC)c1ccc(F)cc1[O-] ZINC000287470244 376240470 /nfs/dbraw/zinc/24/04/70/376240470.db2.gz MICRQDDGUSWFEF-LBPRGKRZSA-N -1 3 268.332 2.050 20 10 CECDHM C[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1ncnn1C ZINC000294661365 378004116 /nfs/dbraw/zinc/00/41/16/378004116.db2.gz LOCSFSUBSGVBOY-SSDOTTSWSA-N -1 3 284.722 2.164 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CNCc1nnc(C2CC2)[nH]1 ZINC000294807128 378021614 /nfs/dbraw/zinc/02/16/14/378021614.db2.gz NKWADNCBLDGHEA-UHFFFAOYSA-N -1 3 296.733 2.470 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CNCc1n[nH]c(C2CC2)n1 ZINC000294807128 378021618 /nfs/dbraw/zinc/02/16/18/378021618.db2.gz NKWADNCBLDGHEA-UHFFFAOYSA-N -1 3 296.733 2.470 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H]1CO ZINC000295521222 378195320 /nfs/dbraw/zinc/19/53/20/378195320.db2.gz ZXNCJOYLRDQRKX-VIFPVBQESA-N -1 3 259.708 2.141 20 10 CECDHM CCn1ccnc1CN[C@@H]1CCc2cccc([O-])c21 ZINC000296452876 378537775 /nfs/dbraw/zinc/53/77/75/378537775.db2.gz MVXNVKILYRJTJG-GFCCVEGCSA-N -1 3 257.337 2.386 20 10 CECDHM COCc1cc(CN(C)Cc2ccccc2[O-])no1 ZINC000297890208 378691037 /nfs/dbraw/zinc/69/10/37/378691037.db2.gz QYJUZUKHPZMABJ-UHFFFAOYSA-N -1 3 262.309 2.159 20 10 CECDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccccc2O)n1 ZINC000120489027 394779428 /nfs/dbraw/zinc/77/94/28/394779428.db2.gz BJGCQHKOQMTSKI-UHFFFAOYSA-N -1 3 273.336 2.082 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)c2cnn(C)c2)c1[O-] ZINC000175715201 419453476 /nfs/dbraw/zinc/45/34/76/419453476.db2.gz CVZDCMBRGGFOGS-UHFFFAOYSA-N -1 3 277.299 2.104 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000037322598 260089453 /nfs/dbraw/zinc/08/94/53/260089453.db2.gz BGPVGPVXGAOJNE-AOOOYVTPSA-N -1 3 281.327 2.343 20 10 CECDHM CCCC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000272059112 263001738 /nfs/dbraw/zinc/00/17/38/263001738.db2.gz ADUFUIWCOAZCSV-UHFFFAOYSA-N -1 3 299.754 2.347 20 10 CECDHM CC[C@H](C)[C@H](CNC(=O)c1ccc(C)c(O)c1[O-])OC ZINC000296269202 263189009 /nfs/dbraw/zinc/18/90/09/263189009.db2.gz WWFXSFDOYXWQQS-CABZTGNLSA-N -1 3 281.352 2.197 20 10 CECDHM Cc1ccc(C(=O)N2CCC[C@@H]2C2CC2)c([O-])c1O ZINC000368003835 267133366 /nfs/dbraw/zinc/13/33/66/267133366.db2.gz BGVHZJJROSUDFG-GFCCVEGCSA-N -1 3 261.321 2.421 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1C[C@@H](OC)C[C@@H]1C(=O)OC ZINC000368028315 267137696 /nfs/dbraw/zinc/13/76/96/267137696.db2.gz CPLFLXXWTMOKAE-IACUBPJLSA-N -1 3 293.363 2.106 20 10 CECDHM Cc1ccc(C(=O)N2CCCO[C@@H]3CCC[C@H]32)c([O-])c1O ZINC000370367077 267312546 /nfs/dbraw/zinc/31/25/46/267312546.db2.gz SMGUPWYCTNZNAZ-CHWSQXEVSA-N -1 3 291.347 2.190 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@](C)(O)C2)c1[O-] ZINC000177371170 329183592 /nfs/dbraw/zinc/18/35/92/329183592.db2.gz SQFQIBHCRJEUSL-CQSZACIVSA-N -1 3 283.755 2.205 20 10 CECDHM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC000180287422 329219447 /nfs/dbraw/zinc/21/94/47/329219447.db2.gz ZHQBDFUDNPYIQU-FMKPAKJESA-N -1 3 295.354 2.300 20 10 CECDHM O=C(NCc1cc(Cl)ccc1[O-])NCC12CC(C1)CO2 ZINC000528234690 330316787 /nfs/dbraw/zinc/31/67/87/330316787.db2.gz LXZFYZBAVWRHGA-UHFFFAOYSA-N -1 3 296.754 2.024 20 10 CECDHM CCc1nnc(CNCc2cc(Cl)cc(OC)c2[O-])[nH]1 ZINC000296129645 334905238 /nfs/dbraw/zinc/90/52/38/334905238.db2.gz UISCHODLHMKFRZ-UHFFFAOYSA-N -1 3 296.758 2.025 20 10 CECDHM CCOCCN(CC)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278151521 519908986 /nfs/dbraw/zinc/90/89/86/519908986.db2.gz CJSSNNPPRGEEGQ-UHFFFAOYSA-N -1 3 298.339 2.167 20 10 CECDHM CCN(CCO)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000050134563 521120914 /nfs/dbraw/zinc/12/09/14/521120914.db2.gz SQJVQBHKAFYNPR-UHFFFAOYSA-N -1 3 271.744 2.062 20 10 CECDHM C[C@H]1C[C@@H](CCNC(=O)c2cccc(O)c2[O-])CCO1 ZINC000280461387 524777683 /nfs/dbraw/zinc/77/76/83/524777683.db2.gz MHNJWRMQMJXUIN-QWRGUYRKSA-N -1 3 279.336 2.033 20 10 CECDHM Cc1cc(Cl)cc(CN[C@]2(C)CCOC2=O)c1[O-] ZINC000291026795 524873886 /nfs/dbraw/zinc/87/38/86/524873886.db2.gz YEFVBDNXNVXZJM-CYBMUJFWSA-N -1 3 269.728 2.149 20 10 CECDHM C[C@@H](N[C@@H](C)c1nncn1C)c1cc(F)ccc1[O-] ZINC000094617330 525623881 /nfs/dbraw/zinc/62/38/81/525623881.db2.gz SZGGYRKQBHWMMF-BDAKNGLRSA-N -1 3 264.304 2.072 20 10 CECDHM Cc1c[nH]nc1CNCc1cccc(Br)c1[O-] ZINC000291618990 526030272 /nfs/dbraw/zinc/03/02/72/526030272.db2.gz RLWRQFJNEAVEOX-UHFFFAOYSA-N -1 3 296.168 2.476 20 10 CECDHM Cc1ccc(C(=O)N2CCCC[C@H]2C[C@H](C)O)c([O-])c1O ZINC000279860423 526093222 /nfs/dbraw/zinc/09/32/22/526093222.db2.gz SHXMHXYEAIPWJF-RYUDHWBXSA-N -1 3 293.363 2.172 20 10 CECDHM Cc1nc(NCc2c([O-])cccc2Cl)nn1C ZINC000291934421 526999241 /nfs/dbraw/zinc/99/92/41/526999241.db2.gz OVKYIZYIEDJENE-UHFFFAOYSA-N -1 3 252.705 2.095 20 10 CECDHM C[C@H](NC1COC(C)(C)OC1)c1ccc(F)cc1[O-] ZINC000757698427 574514225 /nfs/dbraw/zinc/51/42/25/574514225.db2.gz QWBOORZIFRPEPY-VIFPVBQESA-N -1 3 269.316 2.333 20 10 CECDHM CCOc1ccc([O-])c([C@H]2NC3(CCCC3)C(=O)N2C)c1 ZINC000731854573 574604059 /nfs/dbraw/zinc/60/40/59/574604059.db2.gz ZXFKMXMEGZOCKD-AWEZNQCLSA-N -1 3 290.363 2.164 20 10 CECDHM O=C(NCCOc1ccc(F)cc1)c1cc([O-])cs1 ZINC000731868311 574604881 /nfs/dbraw/zinc/60/48/81/574604881.db2.gz BTQJXLDFOJINDR-UHFFFAOYSA-N -1 3 281.308 2.402 20 10 CECDHM COC(=O)c1ccoc1COC(=O)c1cc([O-])cs1 ZINC000731911580 574605664 /nfs/dbraw/zinc/60/56/64/574605664.db2.gz MJGUKMJWVPQQAQ-UHFFFAOYSA-N -1 3 282.273 2.190 20 10 CECDHM Cc1ccc([C@@H](O)CNC(=O)c2cc([O-])cs2)cc1 ZINC000732271508 574616892 /nfs/dbraw/zinc/61/68/92/574616892.db2.gz ZUKDLOALSONIET-LBPRGKRZSA-N -1 3 277.345 2.226 20 10 CECDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)N1CCC(C)CC1 ZINC000732353791 574619374 /nfs/dbraw/zinc/61/93/74/574619374.db2.gz VPTFOHDLFRJFQN-SNVBAGLBSA-N -1 3 297.376 2.258 20 10 CECDHM CCOc1ccc(C[NH2+]C(C)(C)CC(=O)[O-])c([O-])c1 ZINC000737203321 574815988 /nfs/dbraw/zinc/81/59/88/574815988.db2.gz LCYJUWNWXMMEQR-UHFFFAOYSA-N -1 3 267.325 2.134 20 10 CECDHM CC(C)C[C@@H](CCO)CNC(=O)c1cc([O-])cs1 ZINC000748398650 575185765 /nfs/dbraw/zinc/18/57/65/575185765.db2.gz PABWVIHARIVCGT-SNVBAGLBSA-N -1 3 271.382 2.228 20 10 CECDHM C[C@H](C(=O)[O-])[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000086756416 597483055 /nfs/dbraw/zinc/48/30/55/597483055.db2.gz KCMFSNGFSVLBLA-SNVBAGLBSA-N -1 3 259.305 2.450 20 10 CECDHM C[C@H](C(=O)[O-])[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000086756416 597483057 /nfs/dbraw/zinc/48/30/57/597483057.db2.gz KCMFSNGFSVLBLA-SNVBAGLBSA-N -1 3 259.305 2.450 20 10 CECDHM O=C([O-])NC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000834221716 605569347 /nfs/dbraw/zinc/56/93/47/605569347.db2.gz WTIZCFGJLUYLLQ-GFCCVEGCSA-N -1 3 282.315 2.153 20 10 CECDHM O=C([O-])NC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000834221716 605569348 /nfs/dbraw/zinc/56/93/48/605569348.db2.gz WTIZCFGJLUYLLQ-GFCCVEGCSA-N -1 3 282.315 2.153 20 10 CECDHM C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000833816542 605691873 /nfs/dbraw/zinc/69/18/73/605691873.db2.gz ZPGGPCAAZIQHGX-VXGBXAGGSA-N -1 3 278.352 2.260 20 10 CECDHM C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000833816542 605691875 /nfs/dbraw/zinc/69/18/75/605691875.db2.gz ZPGGPCAAZIQHGX-VXGBXAGGSA-N -1 3 278.352 2.260 20 10 CECDHM C[C@@H](NCc1cc(C(N)=O)co1)c1ccc(F)cc1[O-] ZINC000187734185 628276398 /nfs/dbraw/zinc/27/63/98/628276398.db2.gz DUCMHCPMZJYJGE-MRVPVSSYSA-N -1 3 278.283 2.074 20 10 CECDHM C[C@@H](O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893995364 629075404 /nfs/dbraw/zinc/07/54/04/629075404.db2.gz VOVKTNXOGVMEHB-SECBINFHSA-N -1 3 271.307 2.263 20 10 CECDHM COCC1CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000895970385 630423087 /nfs/dbraw/zinc/42/30/87/630423087.db2.gz VEYNTNHTUBIHFA-UHFFFAOYSA-N -1 3 259.708 2.263 20 10 CECDHM Cn1c(Cl)ncc1CNCc1c([O-])cccc1F ZINC000896637337 630620575 /nfs/dbraw/zinc/62/05/75/630620575.db2.gz JJYFIXAMGJVHNM-UHFFFAOYSA-N -1 3 269.707 2.208 20 10 CECDHM Cn1cc(CNCc2c([O-])cccc2F)c(C2CC2)n1 ZINC000896640864 630622985 /nfs/dbraw/zinc/62/29/85/630622985.db2.gz SDFNSWLDFDXUTN-UHFFFAOYSA-N -1 3 275.327 2.432 20 10 CECDHM O=C([O-])N[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C12CCC2 ZINC000904211987 635521353 /nfs/dbraw/zinc/52/13/53/635521353.db2.gz ADWOOVSVIUBHSL-STQMWFEESA-N -1 3 276.336 2.061 20 10 CECDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c(C)n1C ZINC000928707709 631129343 /nfs/dbraw/zinc/12/93/43/631129343.db2.gz BAXPYQWYMHDABC-UHFFFAOYSA-N -1 3 276.311 2.417 20 10 CECDHM Cc1nonc1CNCc1cc(Cl)ccc1[O-] ZINC000809743710 632137427 /nfs/dbraw/zinc/13/74/27/632137427.db2.gz AUHVZFFXMVLZAC-UHFFFAOYSA-N -1 3 253.689 2.027 20 10 CECDHM O=C(NC[C@@H]1COc2ccccc21)c1cccc(O)c1[O-] ZINC000811562649 632401139 /nfs/dbraw/zinc/40/11/39/632401139.db2.gz IRYPHRXGEFLSPZ-SNVBAGLBSA-N -1 3 285.299 2.004 20 10 CECDHM COC(=O)C1(C)CN(Cc2c([O-])cccc2Cl)C1 ZINC000822534680 634939005 /nfs/dbraw/zinc/93/90/05/634939005.db2.gz SVNSPDFNLIZFLX-UHFFFAOYSA-N -1 3 269.728 2.041 20 10 CECDHM [O-]c1c(F)cc(Cl)cc1CNCc1nnc(C2CC2)[nH]1 ZINC000824602886 635461569 /nfs/dbraw/zinc/46/15/69/635461569.db2.gz FYIUPNPQHYQNJX-UHFFFAOYSA-N -1 3 296.733 2.470 20 10 CECDHM [O-]c1c(F)cc(Cl)cc1CNCc1n[nH]c(C2CC2)n1 ZINC000824602886 635461573 /nfs/dbraw/zinc/46/15/73/635461573.db2.gz FYIUPNPQHYQNJX-UHFFFAOYSA-N -1 3 296.733 2.470 20 10 CECDHM COC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000825666439 635689505 /nfs/dbraw/zinc/68/95/05/635689505.db2.gz JVBXNHCXBXPVBV-ZDUSSCGKSA-N -1 3 283.755 2.395 20 10 CECDHM O=C1OCCN1[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000827001040 636185842 /nfs/dbraw/zinc/18/58/42/636185842.db2.gz RONFDGVBVZTHRF-NSHDSACASA-N -1 3 296.754 2.072 20 10 CECDHM COC(=O)[C@@](C)(CCF)NCc1cc(Cl)ccc1[O-] ZINC000827352182 636302272 /nfs/dbraw/zinc/30/22/72/636302272.db2.gz ARNPOCPFFSIRJI-CYBMUJFWSA-N -1 3 289.734 2.427 20 10 CECDHM COC(=O)[C@H](C)NCc1c([O-])cc(C)cc1Cl ZINC000840942181 639595255 /nfs/dbraw/zinc/59/52/55/639595255.db2.gz UZTMYSQYCNMSMP-QMMMGPOBSA-N -1 3 257.717 2.005 20 10 CECDHM COc1cc(Cl)cc(C[N@@H+](CC(=O)[O-])CC2CC2)c1[O-] ZINC000229118188 639677274 /nfs/dbraw/zinc/67/72/74/639677274.db2.gz NWBNQIVDLLYNOL-UHFFFAOYSA-N -1 3 299.754 2.351 20 10 CECDHM COc1cc(Cl)cc(C[N@H+](CC(=O)[O-])CC2CC2)c1[O-] ZINC000229118188 639677277 /nfs/dbraw/zinc/67/72/77/639677277.db2.gz NWBNQIVDLLYNOL-UHFFFAOYSA-N -1 3 299.754 2.351 20 10 CECDHM C[C@H](NCc1cnn(C)n1)c1ccc(Cl)cc1[O-] ZINC000841758354 639859950 /nfs/dbraw/zinc/85/99/50/639859950.db2.gz SKAJOBSQWIUYPZ-QMMMGPOBSA-N -1 3 266.732 2.025 20 10 CECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC2(CCCC2)O1 ZINC000844115326 640610431 /nfs/dbraw/zinc/61/04/31/640610431.db2.gz MJOXLWIUXWEKCM-LLVKDONJSA-N -1 3 291.347 2.272 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCOc2ccccc2C1 ZINC000126404673 650630830 /nfs/dbraw/zinc/63/08/30/650630830.db2.gz RQVMMQWLFZXQSR-UHFFFAOYSA-N -1 3 285.299 2.133 20 10 CECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](C)S1 ZINC000126430206 650638379 /nfs/dbraw/zinc/63/83/79/650638379.db2.gz WMUXAFHDIHAHSI-DTORHVGOSA-N -1 3 267.350 2.064 20 10 CECDHM CCC(CC)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452079 641284980 /nfs/dbraw/zinc/28/49/80/641284980.db2.gz CSCYHTCZLICDDE-UHFFFAOYSA-N -1 3 289.372 2.387 20 10 CECDHM Cc1ccccc1CCNC(=O)c1cccc(O)c1[O-] ZINC000126477950 650677231 /nfs/dbraw/zinc/67/72/31/650677231.db2.gz OAWLYSISOVZHFB-UHFFFAOYSA-N -1 3 271.316 2.379 20 10 CECDHM O=C(NC[C@H]1CCC2(CCCC2)O1)c1cccc(O)c1[O-] ZINC000848356574 641969037 /nfs/dbraw/zinc/96/90/37/641969037.db2.gz CBDKYZQDNQFHAQ-LLVKDONJSA-N -1 3 291.347 2.319 20 10 CECDHM C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000769464729 642135351 /nfs/dbraw/zinc/13/53/51/642135351.db2.gz AABIPSPIBYVNPX-CLFVBBPSSA-N -1 3 287.812 2.387 20 10 CECDHM [O-]c1c(CN2CCn3nncc3C2)ccc2ccccc21 ZINC000848921961 642194405 /nfs/dbraw/zinc/19/44/05/642194405.db2.gz KKVWCGUDUGVSIV-UHFFFAOYSA-N -1 3 280.331 2.153 20 10 CECDHM Cc1noc([C@H](C)N(C)Cc2cc(F)ccc2[O-])n1 ZINC000848926352 642198081 /nfs/dbraw/zinc/19/80/81/642198081.db2.gz VMDNVMHVDGTZOH-QMMMGPOBSA-N -1 3 265.288 2.416 20 10 CECDHM O=C(NCC[C@H]1CCCCO1)NCc1c([O-])cccc1F ZINC000921874766 642770908 /nfs/dbraw/zinc/77/09/08/642770908.db2.gz MDNXDAUSJWZLKN-LLVKDONJSA-N -1 3 296.342 2.290 20 10 CECDHM CCc1nc(CNC(=O)NCc2c([O-])cccc2F)co1 ZINC000922742143 643241483 /nfs/dbraw/zinc/24/14/83/643241483.db2.gz DKDRKXSDYYCKQN-UHFFFAOYSA-N -1 3 293.298 2.081 20 10 CECDHM COc1cc(Cl)cc(C[NH2+]CC2(C(=O)[O-])CCC2)c1[O-] ZINC000854244545 644021836 /nfs/dbraw/zinc/02/18/36/644021836.db2.gz KHZGSRPGUNABNA-UHFFFAOYSA-N -1 3 299.754 2.399 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000770304373 646378890 /nfs/dbraw/zinc/37/88/90/646378890.db2.gz MLNIWOYNVCCFIS-LSDHHAIUSA-N -1 3 297.782 2.425 20 10 CECDHM COc1c([O-])c(CN2CC[C@H](C)[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000775058645 646920562 /nfs/dbraw/zinc/92/05/62/646920562.db2.gz VUYPUEZRLUGKGT-ONGXEEELSA-N -1 3 298.314 2.489 20 10 CECDHM O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1cccc(O)c1[O-] ZINC000790785845 648447455 /nfs/dbraw/zinc/44/74/55/648447455.db2.gz YYEGTFPKXNHGOG-TZMCWYRMSA-N -1 3 283.327 2.459 20 10 CECDHM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[C@@H]1O ZINC000792181281 648620859 /nfs/dbraw/zinc/62/08/59/648620859.db2.gz ZSBVEHBTXQHOGB-KCJUWKMLSA-N -1 3 273.735 2.387 20 10 CECDHM O=C(Nc1ccnn1CC1CCC1)c1cccc(O)c1[O-] ZINC000871192301 649027801 /nfs/dbraw/zinc/02/78/01/649027801.db2.gz DUIYZEJDBHCHFS-UHFFFAOYSA-N -1 3 287.319 2.347 20 10 CECDHM COC(=O)[C@@H]1CCCN(Cc2c([O-])cc(F)cc2F)[C@@H]1C ZINC001140583947 803183464 /nfs/dbraw/zinc/18/34/64/803183464.db2.gz ZQKNGUKDZDVGNK-MWLCHTKSSA-N -1 3 299.317 2.444 20 10 CECDHM CCc1ccc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC001148212097 814536981 /nfs/dbraw/zinc/53/69/81/814536981.db2.gz LYSVIYOIIFUJMF-UHFFFAOYSA-N -1 3 258.277 2.308 20 10 CECDHM C[C@@]1(CF)CC(F)(F)CN1C(=O)c1cccc(O)c1[O-] ZINC001148212004 814537028 /nfs/dbraw/zinc/53/70/28/814537028.db2.gz HNCUVXPYKFEQBH-LBPRGKRZSA-N -1 3 289.253 2.307 20 10 CECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC=CC1 ZINC001139126234 815965534 /nfs/dbraw/zinc/96/55/34/815965534.db2.gz CBFKGRFXDSEMBO-UHFFFAOYSA-N -1 3 257.289 2.179 20 10 CECDHM COC(=O)[C@@H]1CCCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139689291 816085151 /nfs/dbraw/zinc/08/51/51/816085151.db2.gz HTCWPOQKMPETKT-SNVBAGLBSA-N -1 3 299.317 2.446 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CC[C@@]2(CCCO2)C1 ZINC001140582223 816290381 /nfs/dbraw/zinc/29/03/81/816290381.db2.gz FERDCYFBJOKJSZ-AWEZNQCLSA-N -1 3 269.291 2.425 20 10 CECDHM COC(=O)[C@@H]1CCCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140582406 816291663 /nfs/dbraw/zinc/29/16/63/816291663.db2.gz IGBAXKUQWSEBNX-SECBINFHSA-N -1 3 285.290 2.055 20 10 CECDHM COC(=O)[C@]1(C)CCCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583554 816292291 /nfs/dbraw/zinc/29/22/91/816292291.db2.gz LGQZAPLJSWIGRX-OAHLLOKOSA-N -1 3 299.317 2.446 20 10 CECDHM CCCN1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583568 816292955 /nfs/dbraw/zinc/29/29/55/816292955.db2.gz LOFZUQMICJVJEX-UHFFFAOYSA-N -1 3 270.323 2.198 20 10 CECDHM O=C(NCc1c([O-])cccc1F)c1cccc2nccnc21 ZINC001178413056 816743822 /nfs/dbraw/zinc/74/38/22/816743822.db2.gz MBLYYFVOSKTCCO-UHFFFAOYSA-N -1 3 297.289 2.405 20 10 CECDHM CC[C@@H](N[C@@H](C)c1nncn1C)c1ccccc1[O-] ZINC000037016935 361884634 /nfs/dbraw/zinc/88/46/34/361884634.db2.gz QNAIQPLCZIJGER-CMPLNLGQSA-N -1 3 260.341 2.323 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCc3n[nH]cc3C2)c1[O-] ZINC000091077792 344151635 /nfs/dbraw/zinc/15/16/35/344151635.db2.gz ZWYQBBJCMABWAO-UHFFFAOYSA-N -1 3 289.310 2.015 20 10 CECDHM C[C@@H]1SCCN(C(=O)c2cccc(O)c2[O-])[C@H]1C ZINC000126564713 344324798 /nfs/dbraw/zinc/32/47/98/344324798.db2.gz ZDEPKSJRAPYXFR-IUCAKERBSA-N -1 3 267.350 2.064 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)CO)c1[O-] ZINC000132097899 366117735 /nfs/dbraw/zinc/11/77/35/366117735.db2.gz DQCWKYHCFMPLHR-QMMMGPOBSA-N -1 3 271.744 2.061 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC(=O)[C@@H](C)C2)c1[O-] ZINC000169149027 367366101 /nfs/dbraw/zinc/36/61/01/367366101.db2.gz ZDGMZNOKKVJGNU-VIFPVBQESA-N -1 3 279.311 2.145 20 10 CECDHM Cc1ccc(C(=O)NC[C@H](C)c2nccs2)c([O-])c1O ZINC000186018775 368906323 /nfs/dbraw/zinc/90/63/23/368906323.db2.gz AVQGZGVKKMBUOH-VIFPVBQESA-N -1 3 292.360 2.396 20 10 CECDHM C[C@@H](N[C@@H](C)c1cc(Cl)ccc1[O-])C(=O)NCCF ZINC000282791848 296149757 /nfs/dbraw/zinc/14/97/57/296149757.db2.gz QGWQSNNDESBELX-DTWKUNHWSA-N -1 3 288.750 2.170 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000226562636 370346135 /nfs/dbraw/zinc/34/61/35/370346135.db2.gz IOAPSYCCMZFNFY-GXTWGEPZSA-N -1 3 251.301 2.285 20 10 CECDHM [O-]c1c(F)cccc1CN1CCN(c2ccccn2)CC1 ZINC000272250600 373385907 /nfs/dbraw/zinc/38/59/07/373385907.db2.gz IDPZQOATHGDNCE-UHFFFAOYSA-N -1 3 287.338 2.249 20 10 CECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccnc2)c1 ZINC000273429175 373757831 /nfs/dbraw/zinc/75/78/31/373757831.db2.gz VCUDDFZGKFYGSM-LLVKDONJSA-N -1 3 286.331 2.425 20 10 CECDHM C[C@H](N[C@@H](C)c1cc(F)ccc1[O-])c1ncn(C)n1 ZINC000275774203 374219631 /nfs/dbraw/zinc/21/96/31/374219631.db2.gz VFFSEGNROMTZHP-IUCAKERBSA-N -1 3 264.304 2.072 20 10 CECDHM COC(=O)[C@H](CC(C)C)N(C)Cc1ccccc1[O-] ZINC000285492007 375840561 /nfs/dbraw/zinc/84/05/61/375840561.db2.gz DMPWTVODBZVYBD-ZDUSSCGKSA-N -1 3 265.353 2.412 20 10 CECDHM CC[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000285957146 375845648 /nfs/dbraw/zinc/84/56/48/375845648.db2.gz FIZMGABQIJXNLV-ZIAGYGMSSA-N -1 3 293.342 2.039 20 10 CECDHM C[C@H](NCc1nnc(C2CC2)[nH]1)c1ccc(F)cc1[O-] ZINC000296365748 378506757 /nfs/dbraw/zinc/50/67/57/378506757.db2.gz IYNXREODYXLYKX-QMMMGPOBSA-N -1 3 276.315 2.378 20 10 CECDHM [O-]c1cccc2c1[C@@H](NCc1nnc3n1CCCCC3)CC2 ZINC000296081235 285396829 /nfs/dbraw/zinc/39/68/29/285396829.db2.gz SPWWJESOMPBRQT-ZDUSSCGKSA-N -1 3 298.390 2.487 20 10 CECDHM O=C([O-])CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121042620 394790828 /nfs/dbraw/zinc/79/08/28/394790828.db2.gz RNAOGPLEJVTHRW-AWEZNQCLSA-N -1 3 293.363 2.238 20 10 CECDHM O=C([O-])CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121042620 394790831 /nfs/dbraw/zinc/79/08/31/394790831.db2.gz RNAOGPLEJVTHRW-AWEZNQCLSA-N -1 3 293.363 2.238 20 10 CECDHM CCCCN(CC(N)=O)Cc1c([O-])cccc1Cl ZINC000132870912 394939949 /nfs/dbraw/zinc/93/99/49/394939949.db2.gz IYIVUKPUXTZDTL-UHFFFAOYSA-N -1 3 270.760 2.133 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CC[C@]3(CCOC3)C2)c1[O-] ZINC000153729527 395016938 /nfs/dbraw/zinc/01/69/38/395016938.db2.gz VJXNEIFKSOSLIL-INIZCTEOSA-N -1 3 293.338 2.346 20 10 CECDHM CCn1nc(C)c(NC(=O)c2ccc(C)c(O)c2[O-])c1C ZINC000182515791 395243960 /nfs/dbraw/zinc/24/39/60/395243960.db2.gz WFCDOMJDRPEWLC-UHFFFAOYSA-N -1 3 289.335 2.492 20 10 CECDHM COC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(C)o1 ZINC000185787358 262070877 /nfs/dbraw/zinc/07/08/77/262070877.db2.gz KHCBQMMHRSLEEH-LLVKDONJSA-N -1 3 291.303 2.117 20 10 CECDHM CCO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000187129826 262125200 /nfs/dbraw/zinc/12/52/00/262125200.db2.gz KNTVIICLYNTGCU-CHWSQXEVSA-N -1 3 291.347 2.175 20 10 CECDHM CN(Cc1cccc(Cl)c1[O-])[C@H]1CCCCNC1=O ZINC000367725073 267113687 /nfs/dbraw/zinc/11/36/87/267113687.db2.gz RCDGQFZHILSYSC-LBPRGKRZSA-N -1 3 282.771 2.146 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCOC[C@@]12CCOC2 ZINC000370736814 267343160 /nfs/dbraw/zinc/34/31/60/267343160.db2.gz HCJLVHMEJJYBNH-ZBFHGGJFSA-N -1 3 277.364 2.335 20 10 CECDHM CC[C@H]1CO[C@H](C)CN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272751952 288331386 /nfs/dbraw/zinc/33/13/86/288331386.db2.gz OKXXILFZTPUCTP-MNOVXSKESA-N -1 3 279.336 2.046 20 10 CECDHM CCN(CC(=O)OC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000273731428 328206023 /nfs/dbraw/zinc/20/60/23/328206023.db2.gz KFBMPDXHDRJVAP-UHFFFAOYSA-N -1 3 287.743 2.049 20 10 CECDHM CCOC(=O)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180016265 329214468 /nfs/dbraw/zinc/21/44/68/329214468.db2.gz HOLHSHRXTVNFQO-UHFFFAOYSA-N -1 3 296.342 2.196 20 10 CECDHM CC[C@H](NCc1cnnn1CC)c1ccc(F)cc1[O-] ZINC000527915755 330295274 /nfs/dbraw/zinc/29/52/74/330295274.db2.gz MSBLNYNGEXADCH-ZDUSSCGKSA-N -1 3 278.331 2.384 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H]3CCC[C@@H]32)c1[O-] ZINC000043426177 518286030 /nfs/dbraw/zinc/28/60/30/518286030.db2.gz HEHKYMDNPCEWQI-LSDHHAIUSA-N -1 3 293.338 2.487 20 10 CECDHM CC(C)(C)[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000279833108 518980945 /nfs/dbraw/zinc/98/09/45/518980945.db2.gz NLPJMUYKDWDPCR-GXFFZTMASA-N -1 3 293.363 2.421 20 10 CECDHM CC[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@@H](C)[S@@]1=O ZINC000289678367 523447673 /nfs/dbraw/zinc/44/76/73/523447673.db2.gz NVPUNPQTVMJWEV-NMLGDKRHSA-N -1 3 285.384 2.263 20 10 CECDHM C[C@H](NCC1(C)OCCCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000277101389 525315634 /nfs/dbraw/zinc/31/56/34/525315634.db2.gz HBCAINVKUQRSTG-JTQLQIEISA-N -1 3 296.323 2.104 20 10 CECDHM Cc1ccc(C(=O)N2CCC[C@@]2(C)CCCO)c([O-])c1O ZINC000273347329 526102136 /nfs/dbraw/zinc/10/21/36/526102136.db2.gz SDGDCKABDGNMKT-INIZCTEOSA-N -1 3 293.363 2.173 20 10 CECDHM Cc1cc(Br)cc(CN2CCO[C@H]3C[C@H]32)c1[O-] ZINC000366536951 526158665 /nfs/dbraw/zinc/15/86/65/526158665.db2.gz ZRRMYKNGDBAMGV-NEPJUHHUSA-N -1 3 298.180 2.436 20 10 CECDHM COc1ccccc1CNC(=O)c1cc([O-])cs1 ZINC000731863654 574604191 /nfs/dbraw/zinc/60/41/91/574604191.db2.gz ANDUUARPQMXJCR-UHFFFAOYSA-N -1 3 263.318 2.392 20 10 CECDHM Cc1cc(C)c(CNC(=O)c2cc([O-])cs2)c(=O)[nH]1 ZINC000731866125 574604248 /nfs/dbraw/zinc/60/42/48/574604248.db2.gz RDHGYXATOBAGAI-UHFFFAOYSA-N -1 3 278.333 2.101 20 10 CECDHM Cc1nn(C)c2ncc(NC(=O)c3cc([O-])cs3)cc12 ZINC000731867329 574605064 /nfs/dbraw/zinc/60/50/64/574605064.db2.gz GDHBOOUCKQYKIQ-UHFFFAOYSA-N -1 3 288.332 2.296 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC[C@@H](n2ccnc2)C1 ZINC000732285673 574618003 /nfs/dbraw/zinc/61/80/03/574618003.db2.gz FKQPLHUQNMQGIK-SNVBAGLBSA-N -1 3 277.349 2.128 20 10 CECDHM CCCc1nc(COC(=O)c2cc([O-])cs2)no1 ZINC000732353111 574619349 /nfs/dbraw/zinc/61/93/49/574619349.db2.gz CVFUREMIVXQYRN-UHFFFAOYSA-N -1 3 268.294 2.146 20 10 CECDHM CCC[C@H](C)NC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732352692 574619558 /nfs/dbraw/zinc/61/95/58/574619558.db2.gz CDVIXKYXDPQIRC-IUCAKERBSA-N -1 3 285.365 2.304 20 10 CECDHM O=C(Nc1ccc2c(c1)CC(=O)N2)c1cc([O-])cs1 ZINC000733807486 574687262 /nfs/dbraw/zinc/68/72/62/574687262.db2.gz WXALYEZRNIDGBZ-UHFFFAOYSA-N -1 3 274.301 2.201 20 10 CECDHM CN(Cc1nc(-c2cccnc2)no1)Cc1ccccc1[O-] ZINC000734148586 574701513 /nfs/dbraw/zinc/70/15/13/574701513.db2.gz ATXSBPWXXMRQKW-UHFFFAOYSA-N -1 3 296.330 2.469 20 10 CECDHM Cc1csc(N(C)C(=O)c2cc([O-])cs2)n1 ZINC000734865109 574733106 /nfs/dbraw/zinc/73/31/06/574733106.db2.gz MOMVJNSAKOTYIO-UHFFFAOYSA-N -1 3 254.336 2.495 20 10 CECDHM CCN(CC)c1ccc(CN[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000739415168 574917202 /nfs/dbraw/zinc/91/72/02/574917202.db2.gz TZUAWZJTUNJYNE-AWEZNQCLSA-N -1 3 291.395 2.375 20 10 CECDHM C[N@@H+](Cc1ccccc1[O-])CC1CCN(C(=O)[O-])CC1 ZINC000739713250 574932237 /nfs/dbraw/zinc/93/22/37/574932237.db2.gz CHOZPXJZLYNHOA-UHFFFAOYSA-N -1 3 278.352 2.214 20 10 CECDHM C[N@H+](Cc1ccccc1[O-])CC1CCN(C(=O)[O-])CC1 ZINC000739713250 574932238 /nfs/dbraw/zinc/93/22/38/574932238.db2.gz CHOZPXJZLYNHOA-UHFFFAOYSA-N -1 3 278.352 2.214 20 10 CECDHM CCCCOC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000745002770 575130455 /nfs/dbraw/zinc/13/04/55/575130455.db2.gz PWLOTOKNXMMQAO-QMMMGPOBSA-N -1 3 272.322 2.342 20 10 CECDHM Cc1ccc(C(=O)NC[C@H]2CCCCS2)c([O-])c1O ZINC000752798223 575315245 /nfs/dbraw/zinc/31/52/45/575315245.db2.gz QEJLICSGHZYEJG-SNVBAGLBSA-N -1 3 281.377 2.422 20 10 CECDHM O=C([O-])NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000834221717 605568713 /nfs/dbraw/zinc/56/87/13/605568713.db2.gz WTIZCFGJLUYLLQ-LBPRGKRZSA-N -1 3 282.315 2.153 20 10 CECDHM O=C([O-])NC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000834221717 605568716 /nfs/dbraw/zinc/56/87/16/605568716.db2.gz WTIZCFGJLUYLLQ-LBPRGKRZSA-N -1 3 282.315 2.153 20 10 CECDHM C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000833834182 605592489 /nfs/dbraw/zinc/59/24/89/605592489.db2.gz MVVSZLAYPMXOIY-ZJUUUORDSA-N -1 3 282.315 2.009 20 10 CECDHM C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000833834182 605592492 /nfs/dbraw/zinc/59/24/92/605592492.db2.gz MVVSZLAYPMXOIY-ZJUUUORDSA-N -1 3 282.315 2.009 20 10 CECDHM CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000229118978 625068781 /nfs/dbraw/zinc/06/87/81/625068781.db2.gz HFEURJWHHNUKSG-SNVBAGLBSA-N -1 3 287.743 2.349 20 10 CECDHM CC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000229118978 625068788 /nfs/dbraw/zinc/06/87/88/625068788.db2.gz HFEURJWHHNUKSG-SNVBAGLBSA-N -1 3 287.743 2.349 20 10 CECDHM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1[O-] ZINC000183447219 628184505 /nfs/dbraw/zinc/18/45/05/628184505.db2.gz OABZPUZUQYWSTC-JTQLQIEISA-N -1 3 287.315 2.164 20 10 CECDHM CC(=O)N1CCN(Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000840907450 628366687 /nfs/dbraw/zinc/36/66/87/628366687.db2.gz FBNBZRSSVROKNE-UHFFFAOYSA-N -1 3 282.771 2.018 20 10 CECDHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc(N(C)C)cc1)C2 ZINC000931313991 628515383 /nfs/dbraw/zinc/51/53/83/628515383.db2.gz UNSUTGZSCQXXKQ-UHFFFAOYSA-N -1 3 284.363 2.072 20 10 CECDHM C[C@@H](NCc1csc(N)n1)c1ccc(F)cc1[O-] ZINC000902498681 634692040 /nfs/dbraw/zinc/69/20/40/634692040.db2.gz IJZDMNMKOASHGI-SSDOTTSWSA-N -1 3 267.329 2.421 20 10 CECDHM CO[C@H](CC(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928706322 631128620 /nfs/dbraw/zinc/12/86/20/631128620.db2.gz QNYCVJHSRWISDM-CYBMUJFWSA-N -1 3 269.316 2.209 20 10 CECDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCOC2(CCC2)C1 ZINC000928709921 631130113 /nfs/dbraw/zinc/13/01/13/631130113.db2.gz IVDMELFKLNHGAI-NSHDSACASA-N -1 3 293.338 2.497 20 10 CECDHM CSC[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928711818 631131353 /nfs/dbraw/zinc/13/13/53/631131353.db2.gz LLAPAEGBBRAMHB-QMMMGPOBSA-N -1 3 257.330 2.147 20 10 CECDHM CC[C@@H]1C(=O)NCCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000898547605 632532964 /nfs/dbraw/zinc/53/29/64/632532964.db2.gz HXMQZOXWAAIGSJ-CYBMUJFWSA-N -1 3 296.798 2.455 20 10 CECDHM CCOc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c([O-])c1 ZINC000817881187 633750400 /nfs/dbraw/zinc/75/04/00/633750400.db2.gz PXPYQAUBFOOFLS-DGCLKSJQSA-N -1 3 293.363 2.476 20 10 CECDHM CCOc1ccc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c([O-])c1 ZINC000817881187 633750409 /nfs/dbraw/zinc/75/04/09/633750409.db2.gz PXPYQAUBFOOFLS-DGCLKSJQSA-N -1 3 293.363 2.476 20 10 CECDHM O=C(NCc1c([O-])cccc1F)OCC(F)(F)F ZINC000902946248 634898576 /nfs/dbraw/zinc/89/85/76/634898576.db2.gz ZGHDGTQIIGJZDK-UHFFFAOYSA-N -1 3 267.178 2.320 20 10 CECDHM Cc1cc([O-])c(CN(C)Cc2nncn2C)cc1Cl ZINC000825940321 635736124 /nfs/dbraw/zinc/73/61/24/635736124.db2.gz TVKIDUJPDJXPEN-UHFFFAOYSA-N -1 3 280.759 2.115 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](O)[C@H]2C)c1[O-] ZINC000832219216 637521314 /nfs/dbraw/zinc/52/13/14/637521314.db2.gz ATSBHQFTHVERKS-AMIZOPFISA-N -1 3 283.755 2.203 20 10 CECDHM O=C(NC[C@@H]1CCCC2(CCC2)O1)c1cccc(O)c1[O-] ZINC000832316050 637543040 /nfs/dbraw/zinc/54/30/40/637543040.db2.gz UACMXTKUPNLKAS-NSHDSACASA-N -1 3 291.347 2.319 20 10 CECDHM Cc1cc([O-])c(CN(C)CC(=O)N2CCCC2)c(Cl)c1 ZINC000840909284 639582357 /nfs/dbraw/zinc/58/23/57/639582357.db2.gz GBEJPWKJGNXWOF-UHFFFAOYSA-N -1 3 296.798 2.408 20 10 CECDHM COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000229118071 639677238 /nfs/dbraw/zinc/67/72/38/639677238.db2.gz FDRSPHAVGHFRCV-SECBINFHSA-N -1 3 299.754 2.351 20 10 CECDHM COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000229118071 639677240 /nfs/dbraw/zinc/67/72/40/639677240.db2.gz FDRSPHAVGHFRCV-SECBINFHSA-N -1 3 299.754 2.351 20 10 CECDHM CCC[N@H+](CC(=O)[O-])Cc1cc(Cl)cc(OC)c1[O-] ZINC000229118701 639677405 /nfs/dbraw/zinc/67/74/05/639677405.db2.gz GGQAUHUMAPZPKY-UHFFFAOYSA-N -1 3 287.743 2.351 20 10 CECDHM CCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)cc(OC)c1[O-] ZINC000229118701 639677407 /nfs/dbraw/zinc/67/74/07/639677407.db2.gz GGQAUHUMAPZPKY-UHFFFAOYSA-N -1 3 287.743 2.351 20 10 CECDHM CC1(C)C[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000918316410 640953811 /nfs/dbraw/zinc/95/38/11/640953811.db2.gz DXRIRUMBULGPJM-SECBINFHSA-N -1 3 266.316 2.377 20 10 CECDHM COC[C@H](NC(=O)NCc1c([O-])cccc1F)C(C)C ZINC000920368217 641142647 /nfs/dbraw/zinc/14/26/47/641142647.db2.gz NGKGTMLEMOVKHX-LBPRGKRZSA-N -1 3 284.331 2.002 20 10 CECDHM C[C@@H]1CC[C@H](O)CN1Cc1ccc(F)c(F)c1[O-] ZINC000877595628 650807556 /nfs/dbraw/zinc/80/75/56/650807556.db2.gz GQVLXUBQAHIAQP-SCZZXKLOSA-N -1 3 257.280 2.016 20 10 CECDHM CC(C)O[C@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000922827560 643278055 /nfs/dbraw/zinc/27/80/55/643278055.db2.gz GEKOADSRAKIWKD-PHIMTYICSA-N -1 3 296.342 2.287 20 10 CECDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2ccn(C)n2)c1[O-] ZINC000839195740 644188933 /nfs/dbraw/zinc/18/89/33/644188933.db2.gz GOBPVSOEHDXBPD-SECBINFHSA-N -1 3 291.326 2.318 20 10 CECDHM CCc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])[nH]n1 ZINC000756572118 644670516 /nfs/dbraw/zinc/67/05/16/644670516.db2.gz IYBOEXSTJQWRQZ-VIFPVBQESA-N -1 3 290.323 2.437 20 10 CECDHM COC[C@]1(C)CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000862551815 646496414 /nfs/dbraw/zinc/49/64/14/646496414.db2.gz PXOPGFTWFVIEBR-AWEZNQCLSA-N -1 3 285.771 2.283 20 10 CECDHM Cc1cn2c(n1)CN(Cc1c([O-])ccc3ccncc31)CC2 ZINC000782273290 647607858 /nfs/dbraw/zinc/60/78/58/647607858.db2.gz ATHOHYDGQLSRCR-UHFFFAOYSA-N -1 3 294.358 2.461 20 10 CECDHM COc1ccc(NC(=O)C2=CC(=O)CS2)c([O-])c1 ZINC000785425723 647927604 /nfs/dbraw/zinc/92/76/04/647927604.db2.gz VAUBWAGOHHCVCZ-UHFFFAOYSA-N -1 3 265.290 2.420 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ccccn1 ZINC000790574822 648432455 /nfs/dbraw/zinc/43/24/55/648432455.db2.gz STXOYSBTWOVGEU-ZDUSSCGKSA-N -1 3 284.315 2.470 20 10 CECDHM O=C(N[C@H]1CCc2c1cccc2O)c1cccc(O)c1[O-] ZINC000790640323 648437245 /nfs/dbraw/zinc/43/72/45/648437245.db2.gz NNOPQGDJZSPKEQ-LBPRGKRZSA-N -1 3 285.299 2.221 20 10 CECDHM O=C(NCCC[C@H]1CCCC[C@@H]1O)c1cccc(O)c1[O-] ZINC000790898096 648459045 /nfs/dbraw/zinc/45/90/45/648459045.db2.gz UTCRJTFWVIYGDX-YPMHNXCESA-N -1 3 293.363 2.159 20 10 CECDHM CN(Cc1ccncn1)Cc1cc(F)c(F)cc1[O-] ZINC001142534569 806623561 /nfs/dbraw/zinc/62/35/61/806623561.db2.gz OGGCNBVOETXRRG-UHFFFAOYSA-N -1 3 265.263 2.092 20 10 CECDHM C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC000693476269 802956713 /nfs/dbraw/zinc/95/67/13/802956713.db2.gz QICSZPXYAPWXBW-SKDRFNHKSA-N -1 3 267.300 2.074 20 10 CECDHM C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC000693476269 802956719 /nfs/dbraw/zinc/95/67/19/802956719.db2.gz QICSZPXYAPWXBW-SKDRFNHKSA-N -1 3 267.300 2.074 20 10 CECDHM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cccc(O)c1[O-] ZINC000694453980 803555754 /nfs/dbraw/zinc/55/57/54/803555754.db2.gz OHTMKTYSCNXAAD-JBLDHEPKSA-N -1 3 261.321 2.264 20 10 CECDHM C[C@H]1COCCCN1Cc1ccc(F)c(F)c1[O-] ZINC000703518018 809653666 /nfs/dbraw/zinc/65/36/66/809653666.db2.gz OIERIRVEXLUALV-VIFPVBQESA-N -1 3 257.280 2.281 20 10 CECDHM CC(=O)[C@H]1CCCCN1Cc1c([O-])cccc1F ZINC001137839137 809816980 /nfs/dbraw/zinc/81/69/80/809816980.db2.gz SVLQBTDETIJWAH-CYBMUJFWSA-N -1 3 251.301 2.475 20 10 CECDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@H](C)N1C ZINC000708383357 809928082 /nfs/dbraw/zinc/92/80/82/809928082.db2.gz LNEYSMPLTLXQPB-AOOOYVTPSA-N -1 3 270.323 2.195 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1Cc1ccccn1 ZINC001148214492 814537582 /nfs/dbraw/zinc/53/75/82/814537582.db2.gz URMKVRNYQGDBOV-CYBMUJFWSA-N -1 3 298.342 2.340 20 10 CECDHM C[C@@H](CCCC(C)(C)O)NC(=O)c1cccc(O)c1[O-] ZINC001148219842 814538410 /nfs/dbraw/zinc/53/84/10/814538410.db2.gz BEOXYBDNGOCYNU-JTQLQIEISA-N -1 3 281.352 2.157 20 10 CECDHM O=C(Nc1cccc2nsnc21)c1cccc(O)c1[O-] ZINC001148213153 814538750 /nfs/dbraw/zinc/53/87/50/814538750.db2.gz YDEOKLSCVWYITO-UHFFFAOYSA-N -1 3 287.300 2.355 20 10 CECDHM O=C(Nc1cc(C(F)(F)F)no1)c1cccc(O)c1[O-] ZINC001148212983 814538836 /nfs/dbraw/zinc/53/88/36/814538836.db2.gz TZEPSHZWTVBQNN-UHFFFAOYSA-N -1 3 288.181 2.357 20 10 CECDHM O=C1OCCC12CCN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139686567 816083191 /nfs/dbraw/zinc/08/31/91/816083191.db2.gz AWJVGBMULWJNCM-UHFFFAOYSA-N -1 3 297.301 2.200 20 10 CECDHM CCN1CCN(Cc2c(F)ccc(F)c2[O-])C[C@H]1C ZINC001139689194 816085355 /nfs/dbraw/zinc/08/53/55/816085355.db2.gz FENVDKRVTVLZKR-SNVBAGLBSA-N -1 3 270.323 2.196 20 10 CECDHM [O-]c1cccc(Br)c1CN1C[C@H]2C[C@@H](C1)O2 ZINC001140101481 816189743 /nfs/dbraw/zinc/18/97/43/816189743.db2.gz VBHUSZVNTQBJJD-DTORHVGOSA-N -1 3 284.153 2.128 20 10 CECDHM COC(=O)[C@]1(F)CCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140461695 816260859 /nfs/dbraw/zinc/26/08/59/816260859.db2.gz RDSXHKNQHQVBAS-ZDUSSCGKSA-N -1 3 287.718 2.133 20 10 CECDHM CCOC(=O)[C@@H]1CCCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583512 816293358 /nfs/dbraw/zinc/29/33/58/816293358.db2.gz JGBXMILBFHPZSM-SNVBAGLBSA-N -1 3 299.317 2.446 20 10 CECDHM Cc1ccc(C(=O)NCc2cccc(O)c2O)c([O-])c1 ZINC001176565755 816442805 /nfs/dbraw/zinc/44/28/05/816442805.db2.gz OUOBONKGPFXBRQ-UHFFFAOYSA-N -1 3 273.288 2.042 20 10 CECDHM C[C@H]1COCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508575 816677494 /nfs/dbraw/zinc/67/74/94/816677494.db2.gz DDMKKRXUFFLNCO-SECBINFHSA-N -1 3 257.280 2.139 20 10 CECDHM CCOC(=O)C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142512849 816678868 /nfs/dbraw/zinc/67/88/68/816678868.db2.gz NMGIUQANSQZYMA-UHFFFAOYSA-N -1 3 299.317 2.446 20 10 CECDHM [O-]c1ccccc1CN1CCN(CC(F)(F)F)CC1 ZINC000134084684 366285323 /nfs/dbraw/zinc/28/53/23/366285323.db2.gz PCXJCGAKPNDVNA-UHFFFAOYSA-N -1 3 274.286 2.072 20 10 CECDHM CC[C@H](C)NC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000171937414 367643579 /nfs/dbraw/zinc/64/35/79/367643579.db2.gz YDLASLMHDCAUCL-RYUDHWBXSA-N -1 3 264.369 2.127 20 10 CECDHM CC[C@@H]1C(=O)NCCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000180037562 368364709 /nfs/dbraw/zinc/36/47/09/368364709.db2.gz GSBPWYSENOXXGZ-GFCCVEGCSA-N -1 3 282.771 2.064 20 10 CECDHM CC(C)C(=O)NCCN(C)Cc1cccc(Cl)c1[O-] ZINC000180797756 368396522 /nfs/dbraw/zinc/39/65/22/368396522.db2.gz WNRPYVKKQHYSST-UHFFFAOYSA-N -1 3 284.787 2.250 20 10 CECDHM CCC[C@]1(C)C(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC000189038187 369447061 /nfs/dbraw/zinc/44/70/61/369447061.db2.gz AYEZAVFSGNKBKM-OAHLLOKOSA-N -1 3 280.343 2.022 20 10 CECDHM O=C(NCCC[C@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000193163686 369900695 /nfs/dbraw/zinc/90/06/95/369900695.db2.gz ZWQQGNXRUCRVGP-LLVKDONJSA-N -1 3 279.336 2.177 20 10 CECDHM COC1(C)CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000272975722 373738921 /nfs/dbraw/zinc/73/89/21/373738921.db2.gz LIUBRYYWSJJIRP-UHFFFAOYSA-N -1 3 279.336 2.047 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCC(O)(C(F)(F)F)CC1 ZINC000274389965 373904421 /nfs/dbraw/zinc/90/44/21/373904421.db2.gz VDRWQVTXRDGELZ-UHFFFAOYSA-N -1 3 293.260 2.421 20 10 CECDHM C[C@@H](N[C@@H](C)c1ncn(C)n1)c1cc(F)ccc1[O-] ZINC000275774197 374220837 /nfs/dbraw/zinc/22/08/37/374220837.db2.gz VFFSEGNROMTZHP-BDAKNGLRSA-N -1 3 264.304 2.072 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@]23CCOC3)c1[O-] ZINC000375272134 374649247 /nfs/dbraw/zinc/64/92/47/374649247.db2.gz KRAHWQHVRKLGNZ-INIZCTEOSA-N -1 3 293.338 2.489 20 10 CECDHM COC[C@@H](CO)N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000280840388 375339660 /nfs/dbraw/zinc/33/96/60/375339660.db2.gz AMUACHAAKABINP-HTQZYQBOSA-N -1 3 294.178 2.357 20 10 CECDHM CCCCN(CC(=O)OC)Cc1ccccc1[O-] ZINC000282523184 375506508 /nfs/dbraw/zinc/50/65/08/375506508.db2.gz UFRGWYPNHRPSNN-UHFFFAOYSA-N -1 3 251.326 2.167 20 10 CECDHM CC[C@@H](NC1CN(C(=O)OC)C1)c1ccc(F)cc1[O-] ZINC000286078808 375847266 /nfs/dbraw/zinc/84/72/66/375847266.db2.gz LLAQXFYSPUEOTR-GFCCVEGCSA-N -1 3 282.315 2.023 20 10 CECDHM CC(C)[C@H](NCc1cc(F)ccc1[O-])c1nncn1C ZINC000289316140 376391897 /nfs/dbraw/zinc/39/18/97/376391897.db2.gz FFCNUVNSBKVHII-ZDUSSCGKSA-N -1 3 278.331 2.147 20 10 CECDHM [O-]c1ccccc1CN1CCOc2cc(O)ccc2C1 ZINC000289262610 376391954 /nfs/dbraw/zinc/39/19/54/376391954.db2.gz FTGVMZABHBZYDY-UHFFFAOYSA-N -1 3 271.316 2.492 20 10 CECDHM C[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1nncn1C ZINC000293570468 377634502 /nfs/dbraw/zinc/63/45/02/377634502.db2.gz IYQFRNROGRKGDU-SSDOTTSWSA-N -1 3 284.722 2.164 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCN(CC(F)F)CC1 ZINC000120585775 394780529 /nfs/dbraw/zinc/78/05/29/394780529.db2.gz RUGDVXJWQMXWAA-UHFFFAOYSA-N -1 3 290.741 2.428 20 10 CECDHM Cc1ccc(C(=O)NCC2(O)CCCCCC2)c([O-])c1O ZINC000179506742 395195386 /nfs/dbraw/zinc/19/53/86/395195386.db2.gz XMWSQDLMVJPNST-UHFFFAOYSA-N -1 3 293.363 2.221 20 10 CECDHM Cc1ccc(C(=O)NCCCc2ccccn2)c([O-])c1O ZINC000182849415 261953443 /nfs/dbraw/zinc/95/34/43/261953443.db2.gz FORPJKZLBZYZNZ-UHFFFAOYSA-N -1 3 286.331 2.164 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1cccnc1 ZINC000365559833 262370595 /nfs/dbraw/zinc/37/05/95/262370595.db2.gz KIWYCEXORSLUQT-ZDUSSCGKSA-N -1 3 284.315 2.470 20 10 CECDHM CC[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000376635526 268004365 /nfs/dbraw/zinc/00/43/65/268004365.db2.gz WYFYEAXGEKGHOA-ZBFHGGJFSA-N -1 3 295.354 2.301 20 10 CECDHM CC[C@H](N[C@@H](C(N)=O)c1ccccn1)c1ccc(C)cc1[O-] ZINC000296639294 280948644 /nfs/dbraw/zinc/94/86/44/280948644.db2.gz BYABNYRLPRWFOO-XJKSGUPXSA-N -1 3 299.374 2.363 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](O)[C@@H]2C)c1[O-] ZINC000296260174 327093549 /nfs/dbraw/zinc/09/35/49/327093549.db2.gz OBMZPLKYTFYXFN-XPTSAGLGSA-N -1 3 281.327 2.079 20 10 CECDHM CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000369094250 328942846 /nfs/dbraw/zinc/94/28/46/328942846.db2.gz GZZTYOAJOXNKQT-QCZZGDTMSA-N -1 3 291.347 2.031 20 10 CECDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2cn[nH]c2)c1[O-] ZINC000275159181 518286926 /nfs/dbraw/zinc/28/69/26/518286926.db2.gz ILUQFEFEQFQFEJ-QMMMGPOBSA-N -1 3 277.299 2.308 20 10 CECDHM CCCN(Cc1ccccc1[O-])[C@H](C)C(=O)OC ZINC000076074134 521690922 /nfs/dbraw/zinc/69/09/22/521690922.db2.gz VWOTUGMBMLPKQS-LLVKDONJSA-N -1 3 251.326 2.166 20 10 CECDHM COCCC1(CNC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000193133908 523058872 /nfs/dbraw/zinc/05/88/72/523058872.db2.gz VFTXTOHRFHLEJW-UHFFFAOYSA-N -1 3 293.363 2.425 20 10 CECDHM Cc1ccc(C(=O)NCC[C@@H]2CCO[C@@H](C)C2)c([O-])c1O ZINC000273222723 526169959 /nfs/dbraw/zinc/16/99/59/526169959.db2.gz UBXWPYNOOZKLEU-NWDGAFQWSA-N -1 3 293.363 2.341 20 10 CECDHM O=C1[N-]C(=O)C(=Cc2cc(F)c(F)c(F)c2)S1 ZINC000874927495 649870367 /nfs/dbraw/zinc/87/03/67/649870367.db2.gz IIXKWSSTCCKESQ-XVNBXDOJSA-N -1 3 259.208 2.428 20 10 CECDHM CN(CCNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731865158 574604154 /nfs/dbraw/zinc/60/41/54/574604154.db2.gz GVHAJNFSCHFCLA-UHFFFAOYSA-N -1 3 276.361 2.320 20 10 CECDHM O=C(Nc1ccc2c(c1)OCCO2)c1cc([O-])cs1 ZINC000731861686 574604260 /nfs/dbraw/zinc/60/42/60/574604260.db2.gz JUEGPFIFFJDPSW-UHFFFAOYSA-N -1 3 277.301 2.477 20 10 CECDHM CC[C@@H]1CCCCN1C(=O)COC(=O)c1cc([O-])cs1 ZINC000731910482 574605673 /nfs/dbraw/zinc/60/56/73/574605673.db2.gz RVHYRIMOMOAMEP-SNVBAGLBSA-N -1 3 297.376 2.402 20 10 CECDHM O=C(COC(=O)c1cc([O-])cs1)Nc1cccc(F)c1 ZINC000731912277 574605970 /nfs/dbraw/zinc/60/59/70/574605970.db2.gz SYDOOKWKVAMPFJ-UHFFFAOYSA-N -1 3 295.291 2.388 20 10 CECDHM CCCn1cc(NC(=O)c2cc([O-])cs2)ccc1=O ZINC000732273708 574616800 /nfs/dbraw/zinc/61/68/00/574616800.db2.gz AIAAISWHJPDHBD-UHFFFAOYSA-N -1 3 278.333 2.278 20 10 CECDHM COC(=O)CCN(CC(C)C)C(=O)c1cc([O-])cs1 ZINC000732274112 574617323 /nfs/dbraw/zinc/61/73/23/574617323.db2.gz KQAOTJOFKDWBRQ-UHFFFAOYSA-N -1 3 285.365 2.115 20 10 CECDHM CC(C)[C@H](OC(=O)c1cc([O-])cs1)C(=O)N1CCCC1 ZINC000732355959 574619637 /nfs/dbraw/zinc/61/96/37/574619637.db2.gz WMNLOPGZPTUGGU-LBPRGKRZSA-N -1 3 297.376 2.258 20 10 CECDHM Cn1c(Cl)cnc1COC(=O)c1cc([O-])cs1 ZINC000732354973 574619763 /nfs/dbraw/zinc/61/97/63/574619763.db2.gz YIEKUFRYRHQODM-UHFFFAOYSA-N -1 3 272.713 2.198 20 10 CECDHM CCCCCNC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732354813 574619788 /nfs/dbraw/zinc/61/97/88/574619788.db2.gz RYIKDSMVJKQHTB-VIFPVBQESA-N -1 3 285.365 2.305 20 10 CECDHM C[C@](O)(CNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000734023891 574698867 /nfs/dbraw/zinc/69/88/67/574698867.db2.gz QJYKSZZXIPEMBL-AWEZNQCLSA-N -1 3 277.345 2.091 20 10 CECDHM COc1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1C ZINC000735408169 574757366 /nfs/dbraw/zinc/75/73/66/574757366.db2.gz ROENPQYBQZYWAB-UHFFFAOYSA-N -1 3 287.367 2.076 20 10 CECDHM COc1ccc(CNC2(c3nnn[n-]3)CCCC2)cc1C ZINC000735408169 574757368 /nfs/dbraw/zinc/75/73/68/574757368.db2.gz ROENPQYBQZYWAB-UHFFFAOYSA-N -1 3 287.367 2.076 20 10 CECDHM O=C(Nc1ccc2nccn2c1)c1cc([O-])cs1 ZINC000738540276 574867310 /nfs/dbraw/zinc/86/73/10/574867310.db2.gz HXVPBEYZAOVOGS-UHFFFAOYSA-N -1 3 259.290 2.354 20 10 CECDHM CC(C)n1ccc(CNC(=O)c2cc([O-])cs2)n1 ZINC000738547906 574867644 /nfs/dbraw/zinc/86/76/44/574867644.db2.gz GIRQVTIFIOVDNS-UHFFFAOYSA-N -1 3 265.338 2.161 20 10 CECDHM CN(C)c1ccc(CNC[C@@H]2CCCN2C(=O)[O-])cc1F ZINC000739617288 574928496 /nfs/dbraw/zinc/92/84/96/574928496.db2.gz GLDDOWCDICXZQB-LBPRGKRZSA-N -1 3 295.358 2.124 20 10 CECDHM Cc1cc([O-])c(C[NH+]2CCC(C(=O)[O-])CC2)cc1C ZINC000740088255 574941762 /nfs/dbraw/zinc/94/17/62/574941762.db2.gz GDDXTRJTTSWCJI-UHFFFAOYSA-N -1 3 263.337 2.306 20 10 CECDHM CCCCOCCOCCNC(=O)c1cc([O-])cs1 ZINC000743801018 575109644 /nfs/dbraw/zinc/10/96/44/575109644.db2.gz RMKJHFSHAWQZEI-UHFFFAOYSA-N -1 3 287.381 2.017 20 10 CECDHM CO[C@H]1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000753466382 575326992 /nfs/dbraw/zinc/32/69/92/575326992.db2.gz DSELPCKNGHKXIG-JTQLQIEISA-N -1 3 255.339 2.095 20 10 CECDHM C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000833816540 605691832 /nfs/dbraw/zinc/69/18/32/605691832.db2.gz ZPGGPCAAZIQHGX-NWDGAFQWSA-N -1 3 278.352 2.260 20 10 CECDHM C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000833816540 605691834 /nfs/dbraw/zinc/69/18/34/605691834.db2.gz ZPGGPCAAZIQHGX-NWDGAFQWSA-N -1 3 278.352 2.260 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCc2ncncc2C1 ZINC000895722363 630315286 /nfs/dbraw/zinc/31/52/86/630315286.db2.gz IBABQGYEQYNWKG-UHFFFAOYSA-N -1 3 275.739 2.394 20 10 CECDHM [O-]c1cccc(F)c1CNc1ncnc2c1CCC2 ZINC000895832793 630369852 /nfs/dbraw/zinc/36/98/52/630369852.db2.gz MLYGGTWPPYWSJZ-UHFFFAOYSA-N -1 3 259.284 2.422 20 10 CECDHM COCC1CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000895970423 630423416 /nfs/dbraw/zinc/42/34/16/630423416.db2.gz XPROOKAJFDGUEK-UHFFFAOYSA-N -1 3 259.708 2.263 20 10 CECDHM CCCCO[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928712636 631131419 /nfs/dbraw/zinc/13/14/19/631131419.db2.gz UYQUCFGUMGMVAK-JTQLQIEISA-N -1 3 269.316 2.353 20 10 CECDHM CC[C@H](NCc1cn(C)nn1)c1cccc(Cl)c1[O-] ZINC000806158761 631721773 /nfs/dbraw/zinc/72/17/73/631721773.db2.gz QTYXVUKWBOSKDP-LBPRGKRZSA-N -1 3 280.759 2.415 20 10 CECDHM COC(=O)[C@H]1[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])C[C@@H]21 ZINC000816616670 633451075 /nfs/dbraw/zinc/45/10/75/633451075.db2.gz CESMVWIWYVBBFM-WOFXILAISA-N -1 3 299.729 2.036 20 10 CECDHM O=C(Nc1noc2c1CCCC2)c1cccc(O)c1[O-] ZINC000900780324 633845149 /nfs/dbraw/zinc/84/51/49/633845149.db2.gz NKRFXJLZAYBOOP-UHFFFAOYSA-N -1 3 274.276 2.217 20 10 CECDHM CCc1nnc(CNCc2c([O-])ccc(Cl)c2F)[nH]1 ZINC000824445910 635429714 /nfs/dbraw/zinc/42/97/14/635429714.db2.gz OSWRORVWWFMWSU-UHFFFAOYSA-N -1 3 284.722 2.155 20 10 CECDHM CCc1nc(CNCc2c([O-])ccc(Cl)c2F)n[nH]1 ZINC000824445910 635429719 /nfs/dbraw/zinc/42/97/19/635429719.db2.gz OSWRORVWWFMWSU-UHFFFAOYSA-N -1 3 284.722 2.155 20 10 CECDHM COc1ccc(CCNC(=O)c2cccc(O)c2[O-])cc1 ZINC000126205514 650470417 /nfs/dbraw/zinc/47/04/17/650470417.db2.gz WDIATTAZKDKATE-UHFFFAOYSA-N -1 3 287.315 2.079 20 10 CECDHM Cc1ccc(CN(C)C(=O)c2cccc(O)c2[O-])o1 ZINC000126254695 650506234 /nfs/dbraw/zinc/50/62/34/650506234.db2.gz BKLHHGUAVOUVNG-UHFFFAOYSA-N -1 3 261.277 2.271 20 10 CECDHM COc1cccc(CN(C)C(=O)c2cccc(O)c2[O-])c1 ZINC000126281787 650531987 /nfs/dbraw/zinc/53/19/87/650531987.db2.gz ATJHUHFJNRUMDE-UHFFFAOYSA-N -1 3 287.315 2.379 20 10 CECDHM C[C@@H](NCc1nnnn1C1CC1)c1ccc(Cl)cc1[O-] ZINC000841747461 639857452 /nfs/dbraw/zinc/85/74/52/639857452.db2.gz BJKUGJVATHHXQV-MRVPVSSYSA-N -1 3 293.758 2.218 20 10 CECDHM C[C@@H](Cc1ccco1)NC(=O)c1cccc(O)c1[O-] ZINC000126300927 650538049 /nfs/dbraw/zinc/53/80/49/650538049.db2.gz JRKXEWBNNAZOSH-VIFPVBQESA-N -1 3 261.277 2.052 20 10 CECDHM CC(C)OCCCNC(=O)NCc1c([O-])cccc1F ZINC000913858526 640140240 /nfs/dbraw/zinc/14/02/40/640140240.db2.gz QWQPKEJISZDEER-UHFFFAOYSA-N -1 3 284.331 2.146 20 10 CECDHM CC(C)C1(S(=O)(=O)NCc2c([O-])cccc2F)CC1 ZINC000921451837 641284061 /nfs/dbraw/zinc/28/40/61/641284061.db2.gz WZBRUXQGPZRFJV-UHFFFAOYSA-N -1 3 287.356 2.139 20 10 CECDHM Cc1ccc(C(=O)Nc2ccc(F)cn2)c([O-])c1O ZINC000182127633 641625743 /nfs/dbraw/zinc/62/57/43/641625743.db2.gz FLLNWUPYXWKBST-UHFFFAOYSA-N -1 3 262.240 2.193 20 10 CECDHM Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cn1 ZINC000182843362 641697169 /nfs/dbraw/zinc/69/71/69/641697169.db2.gz YVDVUSDFHOSDFE-UHFFFAOYSA-N -1 3 258.277 2.362 20 10 CECDHM C[C@@H]1CC(NC(=O)NCc2c([O-])cccc2F)C[C@@H](C)O1 ZINC000921740288 642568471 /nfs/dbraw/zinc/56/84/71/642568471.db2.gz JUCKBHAUXHKKOP-NXEZZACHSA-N -1 3 296.342 2.287 20 10 CECDHM O=C(NCCOCC1CCC1)NCc1c([O-])cccc1F ZINC000921988028 642827195 /nfs/dbraw/zinc/82/71/95/642827195.db2.gz YWLZAKSKWLOGAT-UHFFFAOYSA-N -1 3 296.342 2.147 20 10 CECDHM CC(C)(C)c1nc(CNCc2ccc(F)c(F)c2[O-])n[nH]1 ZINC000877583264 650800509 /nfs/dbraw/zinc/80/05/09/650800509.db2.gz NNQLMOFXOGWVHW-UHFFFAOYSA-N -1 3 296.321 2.376 20 10 CECDHM COCC1(CNC(=O)NCc2c([O-])cccc2F)CCC1 ZINC000922354073 643044656 /nfs/dbraw/zinc/04/46/56/643044656.db2.gz DQLZTJRVVXGZPT-UHFFFAOYSA-N -1 3 296.342 2.147 20 10 CECDHM CCOc1ccccc1CNC(=O)c1cccc(O)c1[O-] ZINC000186999124 643384357 /nfs/dbraw/zinc/38/43/57/643384357.db2.gz FAWGKPGJQXNGNS-UHFFFAOYSA-N -1 3 287.315 2.427 20 10 CECDHM COCCCOC1CN(Cc2c([O-])cccc2Cl)C1 ZINC000839133248 644169732 /nfs/dbraw/zinc/16/97/32/644169732.db2.gz NDLDJTFKAIPBPE-UHFFFAOYSA-N -1 3 285.771 2.283 20 10 CECDHM O=C1N[C@H](c2cc(F)ccc2[O-])N2CCc3ccccc3[C@H]12 ZINC000877856465 650931363 /nfs/dbraw/zinc/93/13/63/650931363.db2.gz SLQNSYOBYRLCPP-CVEARBPZSA-N -1 3 298.317 2.259 20 10 CECDHM O=C1OCC[C@H]2CN(Cc3cc(Cl)ccc3[O-])CCN12 ZINC000770391107 646385846 /nfs/dbraw/zinc/38/58/46/646385846.db2.gz LASUETFLHWTQCI-LBPRGKRZSA-N -1 3 296.754 2.072 20 10 CECDHM O=C1OCC[C@@H]2CN(Cc3cc(Cl)ccc3[O-])CCN12 ZINC000770391106 646386293 /nfs/dbraw/zinc/38/62/93/646386293.db2.gz LASUETFLHWTQCI-GFCCVEGCSA-N -1 3 296.754 2.072 20 10 CECDHM COC[C@@]1(C)CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000862551756 646496175 /nfs/dbraw/zinc/49/61/75/646496175.db2.gz PELUDTXMFJBPHP-CQSZACIVSA-N -1 3 285.771 2.283 20 10 CECDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](n2cncn2)C1 ZINC000777219153 647121535 /nfs/dbraw/zinc/12/15/35/647121535.db2.gz CXHUEAZMHUOKTD-LLVKDONJSA-N -1 3 296.733 2.223 20 10 CECDHM Cc1ccc(C(=O)Nc2ccc3nccn3c2)c([O-])c1O ZINC000780938691 647482783 /nfs/dbraw/zinc/48/27/83/647482783.db2.gz IXOFTYZJYBTVHR-UHFFFAOYSA-N -1 3 283.287 2.306 20 10 CECDHM C[C@@H]1C[C@H](O)CN1Cc1cccc(Br)c1[O-] ZINC000788269423 648167922 /nfs/dbraw/zinc/16/79/22/648167922.db2.gz NOUQDWOFXMRTLC-SCZZXKLOSA-N -1 3 286.169 2.110 20 10 CECDHM Cc1ccc(C(=O)Nc2nc(C3CC3)c[nH]2)c([O-])c1O ZINC000869171845 648366906 /nfs/dbraw/zinc/36/69/06/648366906.db2.gz ZJJPJNPUWIRBHA-UHFFFAOYSA-N -1 3 273.292 2.259 20 10 CECDHM C[C@@H](Cc1cccc(O)c1)NC(=O)c1cccc(O)c1[O-] ZINC000790893276 648458596 /nfs/dbraw/zinc/45/85/96/648458596.db2.gz FZAGSVJMONFGNK-JTQLQIEISA-N -1 3 287.315 2.164 20 10 CECDHM O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1cccc(O)c1[O-] ZINC000790898093 648459428 /nfs/dbraw/zinc/45/94/28/648459428.db2.gz UTCRJTFWVIYGDX-AAEUAGOBSA-N -1 3 293.363 2.159 20 10 CECDHM O=C(N[C@@H](c1cccnc1)C1CC1)c1cccc(O)c1[O-] ZINC000790904926 648460097 /nfs/dbraw/zinc/46/00/97/648460097.db2.gz HXLIWRSTSDYPPM-CQSZACIVSA-N -1 3 284.315 2.374 20 10 CECDHM C[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccnn1C ZINC000883199281 652397511 /nfs/dbraw/zinc/39/75/11/652397511.db2.gz AHDOTTCENOBLBX-MRVPVSSYSA-N -1 3 267.279 2.255 20 10 CECDHM CN(C)c1ccc(C=Cc2nccc(=O)[n-]2)cc1F ZINC000131796944 652464513 /nfs/dbraw/zinc/46/45/13/652464513.db2.gz DCHPMOSFNRYDOK-GQCTYLIASA-N -1 3 259.284 2.145 20 10 CECDHM COC(=O)C[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142527334 806620833 /nfs/dbraw/zinc/62/08/33/806620833.db2.gz RQYXTEDIXFWRGG-SNVBAGLBSA-N -1 3 299.317 2.446 20 10 CECDHM C[C@]1(CO)CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001119508286 815123182 /nfs/dbraw/zinc/12/31/82/815123182.db2.gz ZIFBZRCDHCBMMR-AWEZNQCLSA-N -1 3 271.307 2.265 20 10 CECDHM O=C(NC/C=C/C1CC1)NCc1c([O-])cccc1F ZINC001119683924 815149529 /nfs/dbraw/zinc/14/95/29/815149529.db2.gz VTLYKPWZSVQSTR-NSCUHMNNSA-N -1 3 264.300 2.297 20 10 CECDHM O=C(N[C@@H]1CCC(F)(F)C1)c1cccc(O)c1[O-] ZINC000394676085 813440200 /nfs/dbraw/zinc/44/02/00/813440200.db2.gz VRWVWCCUEFBMOA-SSDOTTSWSA-N -1 3 257.236 2.015 20 10 CECDHM CN(CCC(F)(F)F)C(=O)c1cccc(O)c1[O-] ZINC000126458230 814263204 /nfs/dbraw/zinc/26/32/04/814263204.db2.gz SQTGAZGSJONZPM-UHFFFAOYSA-N -1 3 263.215 2.122 20 10 CECDHM Cc1nc(Cl)cc(NC(=O)c2cccc(O)c2[O-])n1 ZINC001148212580 814536541 /nfs/dbraw/zinc/53/65/41/814536541.db2.gz FGHVOEGXFGKTDT-UHFFFAOYSA-N -1 3 279.683 2.102 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001148212574 814537090 /nfs/dbraw/zinc/53/70/90/814537090.db2.gz FAFKNIURDJJIFJ-CMPLNLGQSA-N -1 3 289.331 2.072 20 10 CECDHM C[C@@H]1CCCCN(C(=O)c2cc(O)c([O-])c(O)c2)C1 ZINC001148582861 814591958 /nfs/dbraw/zinc/59/19/58/814591958.db2.gz OBMIAGCBLLPPAT-SECBINFHSA-N -1 3 265.309 2.066 20 10 CECDHM [O-]c1cccc(F)c1CN1CC[C@](O)(C(F)(F)F)C1 ZINC001137832671 815690971 /nfs/dbraw/zinc/69/09/71/815690971.db2.gz DAFGVVOHWMVTNQ-LLVKDONJSA-N -1 3 279.233 2.030 20 10 CECDHM COC(=O)[C@H](C(C)C)N(C)Cc1cccc(F)c1[O-] ZINC001138129464 815734759 /nfs/dbraw/zinc/73/47/59/815734759.db2.gz DXMMPMXNHCVICS-LBPRGKRZSA-N -1 3 269.316 2.161 20 10 CECDHM CCN(CCC(=O)OC)Cc1c(F)ccc(F)c1[O-] ZINC001139686535 816084199 /nfs/dbraw/zinc/08/41/99/816084199.db2.gz ABXIECJWEHAYDY-UHFFFAOYSA-N -1 3 273.279 2.055 20 10 CECDHM CN(Cc1c([O-])cccc1Br)C1(C)COC1 ZINC001140101176 816189192 /nfs/dbraw/zinc/18/91/92/816189192.db2.gz LLMUYNBVZQWQRS-UHFFFAOYSA-N -1 3 286.169 2.375 20 10 CECDHM COC(=O)CC1CN(Cc2c([O-])cccc2Cl)C1 ZINC001140341617 816237641 /nfs/dbraw/zinc/23/76/41/816237641.db2.gz ZMGVDKYKJHVJOU-UHFFFAOYSA-N -1 3 269.728 2.041 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@H]2C[C@@H](CO)C[C@@H]21 ZINC001140339794 816238905 /nfs/dbraw/zinc/23/89/05/816238905.db2.gz YKDYHIUEJJVANL-XEGUGMAKSA-N -1 3 297.782 2.017 20 10 CECDHM COC1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140580010 816288803 /nfs/dbraw/zinc/28/88/03/816288803.db2.gz OFOWEIVWUZHQFX-UHFFFAOYSA-N -1 3 257.280 2.281 20 10 CECDHM CCOC(=O)[C@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583928 816292468 /nfs/dbraw/zinc/29/24/68/816292468.db2.gz ZAMWLXUTDLZRKS-VIFPVBQESA-N -1 3 285.290 2.055 20 10 CECDHM O=C1CCC[C@@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@H]12 ZINC001140584862 816295191 /nfs/dbraw/zinc/29/51/91/816295191.db2.gz HRLDVVDQBMDTME-KOLCDFICSA-N -1 3 281.302 2.471 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CCC2(CC1)OCCO2 ZINC001142512789 816679430 /nfs/dbraw/zinc/67/94/30/816679430.db2.gz KYMNFLAFZLUIIN-UHFFFAOYSA-N -1 3 285.290 2.009 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCC(CO)CC1 ZINC000127075612 365731668 /nfs/dbraw/zinc/73/16/68/365731668.db2.gz LERAQKBPUFMWHG-UHFFFAOYSA-N -1 3 255.745 2.250 20 10 CECDHM COCCN1CCN(Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000179641644 368347564 /nfs/dbraw/zinc/34/75/64/368347564.db2.gz UQTWXSTUSHQQBF-UHFFFAOYSA-N -1 3 298.814 2.118 20 10 CECDHM Cc1cc(Cl)cc(CN2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000187536047 369174160 /nfs/dbraw/zinc/17/41/60/369174160.db2.gz XWDKPWYKKCEYHZ-HNNXBMFYSA-N -1 3 297.782 2.345 20 10 CECDHM CCOC[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])C(C)C ZINC000191441900 369714336 /nfs/dbraw/zinc/71/43/36/369714336.db2.gz DBGUIKWKXGOLFA-GFCCVEGCSA-N -1 3 281.352 2.197 20 10 CECDHM COC(=O)[C@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(F)ccc1[O-] ZINC000191674306 369732491 /nfs/dbraw/zinc/73/24/91/369732491.db2.gz MHPRNXJMKIWPBL-RIEGTJTDSA-N -1 3 293.338 2.305 20 10 CECDHM CC(C)N1C[C@@H](NCc2c([O-])cccc2Cl)CC1=O ZINC000271840753 373203449 /nfs/dbraw/zinc/20/34/49/373203449.db2.gz QRGNKOVVMPWSDO-JTQLQIEISA-N -1 3 282.771 2.145 20 10 CECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2cn[nH]c2)c1 ZINC000273345738 373751197 /nfs/dbraw/zinc/75/11/97/373751197.db2.gz APJAPZIGPJPQAQ-ZJUUUORDSA-N -1 3 289.335 2.314 20 10 CECDHM CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000273407098 373754759 /nfs/dbraw/zinc/75/47/59/373754759.db2.gz ORFPYTFZRLAYES-DTWKUNHWSA-N -1 3 270.760 2.221 20 10 CECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2c[nH]nc2C)c1 ZINC000273539509 373761836 /nfs/dbraw/zinc/76/18/36/373761836.db2.gz XZUXJPIYJLBESL-JTQLQIEISA-N -1 3 289.335 2.061 20 10 CECDHM C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000273536954 373762121 /nfs/dbraw/zinc/76/21/21/373762121.db2.gz XOEKHWIGISUDCH-RNCFNFMXSA-N -1 3 295.770 2.163 20 10 CECDHM Cc1ccc(C(=O)Nc2ccn(C(C)C)n2)c([O-])c1O ZINC000281765206 375396105 /nfs/dbraw/zinc/39/61/05/375396105.db2.gz KNRUFBPSFPZIFC-UHFFFAOYSA-N -1 3 275.308 2.436 20 10 CECDHM Cc1noc(C(C)(C)NCc2cc(F)ccc2[O-])n1 ZINC000284986313 375832648 /nfs/dbraw/zinc/83/26/48/375832648.db2.gz IUQQXOMATXRMBJ-UHFFFAOYSA-N -1 3 265.288 2.248 20 10 CECDHM Cc1ccc(C(=O)NC[C@@]2(O)CCCC2(C)C)c([O-])c1O ZINC000294457911 377989215 /nfs/dbraw/zinc/98/92/15/377989215.db2.gz QHNIBODIIUYRCP-INIZCTEOSA-N -1 3 293.363 2.077 20 10 CECDHM Cc1ccc(C(=O)N2CC[C@H](O)CC(C)(C)C2)c([O-])c1O ZINC000297128195 378665885 /nfs/dbraw/zinc/66/58/85/378665885.db2.gz ZDERLNSJFAMHEZ-NSHDSACASA-N -1 3 293.363 2.029 20 10 CECDHM CC(=O)NCC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000224467583 394466065 /nfs/dbraw/zinc/46/60/65/394466065.db2.gz CHWJMGPAWWIOAW-UHFFFAOYSA-N -1 3 296.798 2.394 20 10 CECDHM Cc1ccccc1CNC(=O)CN(C)Cc1ccccc1[O-] ZINC000109770138 394734982 /nfs/dbraw/zinc/73/49/82/394734982.db2.gz FPWBGVFJEVLOFP-UHFFFAOYSA-N -1 3 298.386 2.449 20 10 CECDHM COC(=O)[C@H](C)CN(C)Cc1c([O-])cccc1Cl ZINC000120610875 394781594 /nfs/dbraw/zinc/78/15/94/394781594.db2.gz HBXGOIGTMBVYJI-SECBINFHSA-N -1 3 271.744 2.287 20 10 CECDHM CCCN(CC(=O)N(C)C)Cc1cccc(Cl)c1[O-] ZINC000124564616 394838646 /nfs/dbraw/zinc/83/86/46/394838646.db2.gz GTHKUGKQYDTCCI-UHFFFAOYSA-N -1 3 284.787 2.346 20 10 CECDHM CC(C)N(C)C(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000177676258 395154490 /nfs/dbraw/zinc/15/44/90/395154490.db2.gz RHZVYSYXWARPKK-GFCCVEGCSA-N -1 3 264.369 2.079 20 10 CECDHM Cc1ccc(C(=O)N2CCCC3(CC3)C2)c([O-])c1O ZINC000184115647 262009945 /nfs/dbraw/zinc/00/99/45/262009945.db2.gz OJKZNKJELCQYPE-UHFFFAOYSA-N -1 3 261.321 2.422 20 10 CECDHM Cc1nnc([C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000274277779 263022678 /nfs/dbraw/zinc/02/26/78/263022678.db2.gz YEJYTNZYQZQXEH-SSDOTTSWSA-N -1 3 293.348 2.057 20 10 CECDHM Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1ccccc1[O-] ZINC000368461529 267175654 /nfs/dbraw/zinc/17/56/54/267175654.db2.gz JEJWTSKKHFZQOF-CQSZACIVSA-N -1 3 287.363 2.306 20 10 CECDHM CCn1cnnc1CN[C@H](C)c1ccc(C)cc1[O-] ZINC000230658865 333319822 /nfs/dbraw/zinc/31/98/22/333319822.db2.gz AFNPACMXWDRCHT-LLVKDONJSA-N -1 3 260.341 2.163 20 10 CECDHM CCOCc1nc([C@@H](C)NCc2cc(F)ccc2[O-])no1 ZINC000290966844 520216113 /nfs/dbraw/zinc/21/61/13/520216113.db2.gz RZSYVXCIMVNVGN-SECBINFHSA-N -1 3 295.314 2.302 20 10 CECDHM COC1CCC(N(C)C(=O)c2cccc(O)c2[O-])CC1 ZINC000279271726 522682679 /nfs/dbraw/zinc/68/26/79/522682679.db2.gz KLSXWEAXFADWJO-UHFFFAOYSA-N -1 3 279.336 2.127 20 10 CECDHM COCCN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000127124449 523619672 /nfs/dbraw/zinc/61/96/72/523619672.db2.gz ZFMXNCYKQZKUJS-UHFFFAOYSA-N -1 3 274.704 2.032 20 10 CECDHM COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cc(F)ccc1[O-] ZINC000274895472 523761888 /nfs/dbraw/zinc/76/18/88/523761888.db2.gz FSDKHJHPBZQUHO-GWCFXTLKSA-N -1 3 281.327 2.305 20 10 CECDHM C[C@@H]1C[C@@H](CCNC(=O)c2cccc(O)c2[O-])CCO1 ZINC000280461379 525233052 /nfs/dbraw/zinc/23/30/52/525233052.db2.gz MHNJWRMQMJXUIN-MNOVXSKESA-N -1 3 279.336 2.033 20 10 CECDHM O=C(NCCc1cn2ccccc2n1)c1cc([O-])cs1 ZINC000731867250 574604884 /nfs/dbraw/zinc/60/48/84/574604884.db2.gz PETCFTKDDUZMBM-UHFFFAOYSA-N -1 3 287.344 2.074 20 10 CECDHM O=C(NC[C@H]1COc2ccccc2O1)c1cc([O-])cs1 ZINC000731867212 574605055 /nfs/dbraw/zinc/60/50/55/574605055.db2.gz ZMVFHHWBCZTRPL-JTQLQIEISA-N -1 3 291.328 2.024 20 10 CECDHM CCN(C)c1ccc(CN2CCC(NC(=O)[O-])CC2)cc1 ZINC000739384074 574915178 /nfs/dbraw/zinc/91/51/78/574915178.db2.gz CBFXLOYAYGADIQ-UHFFFAOYSA-N -1 3 291.395 2.375 20 10 CECDHM CCN(CC)c1ccc(CN[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000739415170 574916989 /nfs/dbraw/zinc/91/69/89/574916989.db2.gz TZUAWZJTUNJYNE-CQSZACIVSA-N -1 3 291.395 2.375 20 10 CECDHM Cc1nc(CNC(=O)c2cc([O-])cs2)sc1C ZINC000743813608 575109977 /nfs/dbraw/zinc/10/99/77/575109977.db2.gz COWZSPUSXNZRSV-UHFFFAOYSA-N -1 3 268.363 2.457 20 10 CECDHM O=C(OCC[C@H]1CCCC1=O)c1cc([O-])cs1 ZINC000748187684 575179972 /nfs/dbraw/zinc/17/99/72/575179972.db2.gz FJSXWWNZSZEQQH-MRVPVSSYSA-N -1 3 254.307 2.370 20 10 CECDHM CC[N@H+](CC(=O)[O-])Cc1c([O-])ccc2ccccc21 ZINC000086775035 600027610 /nfs/dbraw/zinc/02/76/10/600027610.db2.gz CGRBMPBVLYLERR-UHFFFAOYSA-N -1 3 259.305 2.452 20 10 CECDHM CC[N@@H+](CC(=O)[O-])Cc1c([O-])ccc2ccccc21 ZINC000086775035 600027613 /nfs/dbraw/zinc/02/76/13/600027613.db2.gz CGRBMPBVLYLERR-UHFFFAOYSA-N -1 3 259.305 2.452 20 10 CECDHM O=C1NC(=S)S/C1=C\c1cc(F)c([O-])c(F)c1 ZINC000255216605 623393885 /nfs/dbraw/zinc/39/38/85/623393885.db2.gz FMOXPNURWJZUOX-CLTKARDFSA-N -1 3 273.285 2.159 20 10 CECDHM CNC(=O)CC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894045302 629100876 /nfs/dbraw/zinc/10/08/76/629100876.db2.gz YFNYIDUTOUPPHF-UHFFFAOYSA-N -1 3 298.333 2.019 20 10 CECDHM CO[C@H]1CCCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928706974 631128861 /nfs/dbraw/zinc/12/88/61/631128861.db2.gz YTCUBTUQVFLYBA-YGRLFVJLSA-N -1 3 281.327 2.353 20 10 CECDHM O=C1NCc2c1cccc2NCc1cccc(F)c1[O-] ZINC000809721880 632132494 /nfs/dbraw/zinc/13/24/94/632132494.db2.gz DRJHIACJLKQNTM-UHFFFAOYSA-N -1 3 272.279 2.387 20 10 CECDHM [O-]c1ccc(Cl)c(F)c1CNCc1nnc(C2CC2)[nH]1 ZINC000824602890 635460942 /nfs/dbraw/zinc/46/09/42/635460942.db2.gz GBKWIRGMVYJJSU-UHFFFAOYSA-N -1 3 296.733 2.470 20 10 CECDHM [O-]c1ccc(Cl)c(F)c1CNCc1n[nH]c(C2CC2)n1 ZINC000824602890 635460946 /nfs/dbraw/zinc/46/09/46/635460946.db2.gz GBKWIRGMVYJJSU-UHFFFAOYSA-N -1 3 296.733 2.470 20 10 CECDHM Cc1cc([O-])c(CNCC(F)(F)CO)cc1Cl ZINC000825529831 635654135 /nfs/dbraw/zinc/65/41/35/635654135.db2.gz HLCDLCOMVSABTL-UHFFFAOYSA-N -1 3 265.687 2.071 20 10 CECDHM Cc1ccc(C(=O)Nc2cc(CC3CC3)[nH]n2)c([O-])c1O ZINC000830881111 637186926 /nfs/dbraw/zinc/18/69/26/637186926.db2.gz AXGLCIGVEKDKQL-UHFFFAOYSA-N -1 3 287.319 2.334 20 10 CECDHM CN1CCN(Cc2ccc(F)c(F)c2[O-])C(C)(C)C1 ZINC000876747237 650417064 /nfs/dbraw/zinc/41/70/64/650417064.db2.gz YSHCXQFAKUXSMW-UHFFFAOYSA-N -1 3 270.323 2.196 20 10 CECDHM COc1ccccc1CNC(=O)c1cccc(O)c1[O-] ZINC000126200011 650453447 /nfs/dbraw/zinc/45/34/47/650453447.db2.gz PIOIEHIURBNPCK-UHFFFAOYSA-N -1 3 273.288 2.036 20 10 CECDHM O=C(NCCC1CC(F)(F)C1)c1cccc(O)c1[O-] ZINC000837219655 639131410 /nfs/dbraw/zinc/13/14/10/639131410.db2.gz FDHDNUVCXOOVAA-UHFFFAOYSA-N -1 3 271.263 2.263 20 10 CECDHM Cc1cnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC000126222429 650476107 /nfs/dbraw/zinc/47/61/07/650476107.db2.gz AXMNMHJGKOTEOA-UHFFFAOYSA-N -1 3 250.279 2.115 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCc2ccccc2C1 ZINC000126226846 650477191 /nfs/dbraw/zinc/47/71/91/650477191.db2.gz CYAMUHKQNQVPIN-UHFFFAOYSA-N -1 3 269.300 2.296 20 10 CECDHM Cc1cc([O-])c(CN(CCO)CC(F)F)c(Cl)c1 ZINC000840941219 639594218 /nfs/dbraw/zinc/59/42/18/639594218.db2.gz RTTXIKGZDJUHIF-UHFFFAOYSA-N -1 3 279.714 2.413 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1[C@@H]1CCCOC1 ZINC000843929515 640558081 /nfs/dbraw/zinc/55/80/81/640558081.db2.gz VKNMBCOYEVQIPM-YPMHNXCESA-N -1 3 291.347 2.129 20 10 CECDHM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1[O-] ZINC000183447235 641741639 /nfs/dbraw/zinc/74/16/39/641741639.db2.gz OABZPUZUQYWSTC-SNVBAGLBSA-N -1 3 287.315 2.164 20 10 CECDHM CCN(Cc1ccccn1)C(=O)c1cccc(O)c1[O-] ZINC000126485524 650694789 /nfs/dbraw/zinc/69/47/89/650694789.db2.gz ODKJILCJXWLVGC-UHFFFAOYSA-N -1 3 272.304 2.155 20 10 CECDHM C[C@]1(CNC(=O)c2cccc(O)c2[O-])CCCS1 ZINC000126491842 650696043 /nfs/dbraw/zinc/69/60/43/650696043.db2.gz XGCHQXWFLQDZME-CYBMUJFWSA-N -1 3 267.350 2.113 20 10 CECDHM C[C@H](CC(=O)c1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000185838658 642038395 /nfs/dbraw/zinc/03/83/95/642038395.db2.gz VQZIBCUEERTCCP-LLVKDONJSA-N -1 3 299.326 2.489 20 10 CECDHM Cc1noc(CN(C)Cc2c([O-])cccc2Cl)n1 ZINC000848927998 642197863 /nfs/dbraw/zinc/19/78/63/642197863.db2.gz SWCOWNWPSPZEHF-UHFFFAOYSA-N -1 3 267.716 2.369 20 10 CECDHM CO[C@@H]1CCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000921804466 642653826 /nfs/dbraw/zinc/65/38/26/642653826.db2.gz KSTMBIPJRDBUQC-QMTHXVAHSA-N -1 3 296.342 2.146 20 10 CECDHM O=C(NCCC[C@@H]1CCOC1)NCc1c([O-])cccc1F ZINC000922769288 643249698 /nfs/dbraw/zinc/24/96/98/643249698.db2.gz VKWKOUXRYVMUCL-LLVKDONJSA-N -1 3 296.342 2.147 20 10 CECDHM CC1(C)C[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922875101 643301917 /nfs/dbraw/zinc/30/19/17/643301917.db2.gz HJIVAHPQHTUBLT-NSHDSACASA-N -1 3 252.289 2.129 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)Cc2nnc(C)o2)c1[O-] ZINC000852471998 643435938 /nfs/dbraw/zinc/43/59/38/643435938.db2.gz SCBYTCUZWGZHPW-UHFFFAOYSA-N -1 3 293.298 2.057 20 10 CECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cnc(C)o2)c1 ZINC000840794097 643971499 /nfs/dbraw/zinc/97/14/99/643971499.db2.gz CRTIEIFWDXZLMG-SECBINFHSA-N -1 3 290.319 2.326 20 10 CECDHM CC(C)Cc1nsc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000855706539 644444659 /nfs/dbraw/zinc/44/46/59/644444659.db2.gz KGKGNZXUPXSRFD-UHFFFAOYSA-N -1 3 293.348 2.400 20 10 CECDHM C[C@]1(CCNC(=O)c2cccc(O)c2[O-])CC1(F)F ZINC000855806118 644492024 /nfs/dbraw/zinc/49/20/24/644492024.db2.gz HXOLTUUQVPGRLJ-LBPRGKRZSA-N -1 3 271.263 2.263 20 10 CECDHM COC1(C)CN(Cc2c([O-])cccc2Br)C1 ZINC000862369431 646419114 /nfs/dbraw/zinc/41/91/14/646419114.db2.gz UBYWUDYOVVNUCI-UHFFFAOYSA-N -1 3 286.169 2.375 20 10 CECDHM COc1c([O-])c(CN2CC[C@@H](C)[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000775058644 646920876 /nfs/dbraw/zinc/92/08/76/646920876.db2.gz VUYPUEZRLUGKGT-MWLCHTKSSA-N -1 3 298.314 2.489 20 10 CECDHM Cc1nc(NC(=O)c2ccc(C)c(O)c2[O-])cs1 ZINC000780995951 647489713 /nfs/dbraw/zinc/48/97/13/647489713.db2.gz VZFXTQLNEPYLKG-UHFFFAOYSA-N -1 3 264.306 2.423 20 10 CECDHM CCN(Cc1cn(C)nn1)Cc1c([O-])ccc2ccncc21 ZINC000781578838 647539612 /nfs/dbraw/zinc/53/96/12/647539612.db2.gz ONXYFGNGQQCDOB-UHFFFAOYSA-N -1 3 297.362 2.091 20 10 CECDHM C[S@@](=O)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790790561 648448413 /nfs/dbraw/zinc/44/84/13/648448413.db2.gz MSEHROJJRQOATB-HXUWFJFHSA-N -1 3 291.328 2.088 20 10 CECDHM O=C(NCCC[C@@H]1CCCC[C@H]1O)c1cccc(O)c1[O-] ZINC000790898095 648459187 /nfs/dbraw/zinc/45/91/87/648459187.db2.gz UTCRJTFWVIYGDX-WCQYABFASA-N -1 3 293.363 2.159 20 10 CECDHM COC(=O)[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792163362 648617337 /nfs/dbraw/zinc/61/73/37/648617337.db2.gz XEKLZABLUJCCKM-QMMMGPOBSA-N -1 3 287.718 2.180 20 10 CECDHM O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1cccc(O)c1[O-] ZINC000871120457 649008817 /nfs/dbraw/zinc/00/88/17/649008817.db2.gz PQBPEXYTBBTYKB-ZIAGYGMSSA-N -1 3 291.347 2.175 20 10 CECDHM O=C(N[C@H](C1CCC1)[C@@H]1CCOC1)c1cccc(O)c1[O-] ZINC000871304033 649059646 /nfs/dbraw/zinc/05/96/46/649059646.db2.gz XPPZILUNGLTWBE-BXUZGUMPSA-N -1 3 291.347 2.033 20 10 CECDHM CC(C)[C@@H](NCc1cc(F)cc(F)c1[O-])c1nncn1C ZINC000883117403 652367428 /nfs/dbraw/zinc/36/74/28/652367428.db2.gz YIGYDZGOVVHVIW-GFCCVEGCSA-N -1 3 296.321 2.286 20 10 CECDHM C[C@H](NCc1cc(F)cc(F)c1[O-])c1ccn(C)n1 ZINC000883145172 652378037 /nfs/dbraw/zinc/37/80/37/652378037.db2.gz QJEZKCXSVLSYEY-QMMMGPOBSA-N -1 3 267.279 2.255 20 10 CECDHM [O-]c1c(Br)cccc1CN1CCCOCC1 ZINC000132726765 652550967 /nfs/dbraw/zinc/55/09/67/652550967.db2.gz KMPFLCJNELWZIR-UHFFFAOYSA-N -1 3 286.169 2.377 20 10 CECDHM CC(=O)N1CCN(Cc2c([O-])cccc2Cl)C[C@@H]1C ZINC001140341908 802840469 /nfs/dbraw/zinc/84/04/69/802840469.db2.gz KCYWKCAJRCHAFG-JTQLQIEISA-N -1 3 282.771 2.098 20 10 CECDHM C[C@H]1CCCN(Cc2c([O-])cc(F)cc2F)[C@@H]1CO ZINC001140582632 803177395 /nfs/dbraw/zinc/17/73/95/803177395.db2.gz KYJZTGISGSSQKK-TVQRCGJNSA-N -1 3 271.307 2.263 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@@]12CCOC2 ZINC001140584629 803186062 /nfs/dbraw/zinc/18/60/62/803186062.db2.gz ZTQZQQMHUHEWMH-AWEZNQCLSA-N -1 3 269.291 2.425 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC(C2CC2)CC1 ZINC000724830685 803306622 /nfs/dbraw/zinc/30/66/22/803306622.db2.gz PWKFUKHSQTVZIZ-UHFFFAOYSA-N -1 3 261.321 2.360 20 10 CECDHM COC(=O)[C@@H]1CCCN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232267089 807239019 /nfs/dbraw/zinc/23/90/19/807239019.db2.gz WEAKVZKJFTVFPV-NSHDSACASA-N -1 3 299.754 2.192 20 10 CECDHM CO[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000703586111 809666700 /nfs/dbraw/zinc/66/67/00/809666700.db2.gz OBPQHMHHBSDPOM-JTQLQIEISA-N -1 3 257.280 2.281 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](c2nccs2)C1 ZINC000710491840 809988894 /nfs/dbraw/zinc/98/88/94/809988894.db2.gz FBISEYPVKYYFKD-SECBINFHSA-N -1 3 290.344 2.184 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](O)[C@@H](C)C2)c1[O-] ZINC000388201526 813231688 /nfs/dbraw/zinc/23/16/88/813231688.db2.gz SETBJLIDWUZGBW-SDBXPKJASA-N -1 3 283.755 2.061 20 10 CECDHM O=C(Nc1nsc2ncccc12)c1cccc(O)c1[O-] ZINC001148212317 814536714 /nfs/dbraw/zinc/53/67/14/814536714.db2.gz XCHSTJGYOILCLS-UHFFFAOYSA-N -1 3 287.300 2.355 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001148212576 814536944 /nfs/dbraw/zinc/53/69/44/814536944.db2.gz FAFKNIURDJJIFJ-PWSUYJOCSA-N -1 3 289.331 2.072 20 10 CECDHM Cc1noc2ccc(CNC(=O)c3cccc(O)c3[O-])cc12 ZINC001148224871 814538150 /nfs/dbraw/zinc/53/81/50/814538150.db2.gz YDDUNRLXFFAGEI-UHFFFAOYSA-N -1 3 298.298 2.477 20 10 CECDHM CCCC1CCN(C(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148584266 814591811 /nfs/dbraw/zinc/59/18/11/814591811.db2.gz QHDFKJFQADIXAR-UHFFFAOYSA-N -1 3 279.336 2.456 20 10 CECDHM Cc1cc2n(n1)c(=O)cc(C)n2Cc1c([O-])cccc1F ZINC001137837309 815693114 /nfs/dbraw/zinc/69/31/14/815693114.db2.gz ANKMPUMUFANOJX-UHFFFAOYSA-N -1 3 287.294 2.006 20 10 CECDHM C[C@@H]1C[C@H](O)CCN1Cc1c([O-])c(F)ccc1F ZINC001139685895 816077794 /nfs/dbraw/zinc/07/77/94/816077794.db2.gz DHJFFNCNIHIWOK-RKDXNWHRSA-N -1 3 257.280 2.016 20 10 CECDHM CC1(C)CN(Cc2cc(F)ccc2[O-])CCC1=O ZINC001140055060 816179258 /nfs/dbraw/zinc/17/92/58/816179258.db2.gz GHOCAVUSFFOUCO-UHFFFAOYSA-N -1 3 251.301 2.332 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCO[C@@H](c2ccncc2)C1 ZINC001140059124 816181114 /nfs/dbraw/zinc/18/11/14/816181114.db2.gz TZGYNJREZKORPK-MRXNPFEDSA-N -1 3 288.322 2.500 20 10 CECDHM [O-]c1cccc(Br)c1CN1CCO[C@@H]2C[C@@H]21 ZINC001140103709 816190894 /nfs/dbraw/zinc/19/08/94/816190894.db2.gz SKRRIQCQUCONEO-CMPLNLGQSA-N -1 3 284.153 2.128 20 10 CECDHM CO[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H]1F ZINC001140337819 816237180 /nfs/dbraw/zinc/23/71/80/816237180.db2.gz GYNHYKUMGYBDSZ-CMPLNLGQSA-N -1 3 259.708 2.214 20 10 CECDHM COC(CN(C)Cc1c([O-])cccc1Cl)OC ZINC001140341374 816237546 /nfs/dbraw/zinc/23/75/46/816237546.db2.gz KSCXWSHRGOXNDC-UHFFFAOYSA-N -1 3 259.733 2.096 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CC2(CC(O)C2)C1 ZINC001140338092 816237687 /nfs/dbraw/zinc/23/76/87/816237687.db2.gz UUFWABGQOPMIKZ-UHFFFAOYSA-N -1 3 253.729 2.002 20 10 CECDHM COC(=O)[C@@H]1CN(Cc2c([O-])cc(F)cc2F)CC12CC2 ZINC001140585194 816294553 /nfs/dbraw/zinc/29/45/53/816294553.db2.gz YMAUVIHKEKUGHQ-NSHDSACASA-N -1 3 297.301 2.055 20 10 CECDHM COC(=O)C[C@H]1CSCCN1Cc1cc(F)ccc1[O-] ZINC000180191294 368371027 /nfs/dbraw/zinc/37/10/27/368371027.db2.gz MCMCWNDOCSUJJZ-LBPRGKRZSA-N -1 3 299.367 2.012 20 10 CECDHM CCOCCN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000181482993 368461728 /nfs/dbraw/zinc/46/17/28/368461728.db2.gz PQNRWDDIEVSOGO-UHFFFAOYSA-N -1 3 288.731 2.422 20 10 CECDHM CC(C)Cn1ccnc1NC(=O)c1cccc(O)c1[O-] ZINC000187047109 369092376 /nfs/dbraw/zinc/09/23/76/369092376.db2.gz BCODGQZHSCZLFH-UHFFFAOYSA-N -1 3 275.308 2.203 20 10 CECDHM Cc1cc(Cl)cc(CN(CCO)CC(F)F)c1[O-] ZINC000193020580 369884151 /nfs/dbraw/zinc/88/41/51/369884151.db2.gz ZJMBBYUIUBJSDQ-UHFFFAOYSA-N -1 3 279.714 2.413 20 10 CECDHM CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000193128203 369897049 /nfs/dbraw/zinc/89/70/49/369897049.db2.gz QBNRMKAMMVJUBS-ABAIWWIYSA-N -1 3 293.363 2.279 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c([O-])c1O ZINC000248405133 371187398 /nfs/dbraw/zinc/18/73/98/371187398.db2.gz AMOOOVSWESBBRV-RRFJBIMHSA-N -1 3 295.338 2.474 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]2[C@H]1[C@H]2C(F)(F)F ZINC000365708033 372917679 /nfs/dbraw/zinc/91/76/79/372917679.db2.gz UYELJQMGKLPWOK-JUWDTYFHSA-N -1 3 287.237 2.121 20 10 CECDHM C[C@H]1C(=O)NCCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271209460 373183131 /nfs/dbraw/zinc/18/31/31/373183131.db2.gz TYICDPMUMNCOOH-ZDUSSCGKSA-N -1 3 296.370 2.380 20 10 CECDHM COCC[C@@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000368265164 373230798 /nfs/dbraw/zinc/23/07/98/373230798.db2.gz IHJYIDALGMFVMA-CYBMUJFWSA-N -1 3 285.771 2.283 20 10 CECDHM [O-]c1c(F)cccc1CN1CCOC[C@H]1C1CC1 ZINC000272217373 373365109 /nfs/dbraw/zinc/36/51/09/373365109.db2.gz BJLXRWOJAKGRRB-ZDUSSCGKSA-N -1 3 251.301 2.142 20 10 CECDHM Cc1nnc2n1CCN(Cc1c([O-])ccc3ccccc31)C2 ZINC000371635020 373938234 /nfs/dbraw/zinc/93/82/34/373938234.db2.gz QXNIZOODTKMRCC-UHFFFAOYSA-N -1 3 294.358 2.461 20 10 CECDHM O=C1NC[C@]2(CCCN(Cc3cccc(Cl)c3[O-])C2)O1 ZINC000375556962 374661872 /nfs/dbraw/zinc/66/18/72/374661872.db2.gz JNQWIBPNLRDHBA-AWEZNQCLSA-N -1 3 296.754 2.120 20 10 CECDHM CO[C@H](C)CN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000285626991 375842370 /nfs/dbraw/zinc/84/23/70/375842370.db2.gz KQBWNNXHICDQHB-SECBINFHSA-N -1 3 269.316 2.201 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CC[C@H](CO)C[C@@H]2C)c1[O-] ZINC000289123816 376386578 /nfs/dbraw/zinc/38/65/78/376386578.db2.gz XFHDNPOIZXVPTJ-JQWIXIFHSA-N -1 3 295.354 2.327 20 10 CECDHM C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@H]1CO ZINC000294776900 378018235 /nfs/dbraw/zinc/01/82/35/378018235.db2.gz UDLXFKWUZKPUGS-PELKAZGASA-N -1 3 273.735 2.387 20 10 CECDHM CCn1ncc(CNCc2cc(Cl)cc(C)c2[O-])n1 ZINC000529638224 380181288 /nfs/dbraw/zinc/18/12/88/380181288.db2.gz IXNUBUMWYSOPMS-UHFFFAOYSA-N -1 3 280.759 2.255 20 10 CECDHM CCC[C@](C)(NCc1ccccc1[O-])C(=O)OC ZINC000184047294 262006190 /nfs/dbraw/zinc/00/61/90/262006190.db2.gz YGWILXRFXOJXCL-AWEZNQCLSA-N -1 3 251.326 2.214 20 10 CECDHM CN(Cc1nncn1C)Cc1c([O-])ccc2ccccc21 ZINC000288708229 395064836 /nfs/dbraw/zinc/06/48/36/395064836.db2.gz VCQXANZXDCLRCN-UHFFFAOYSA-N -1 3 282.347 2.306 20 10 CECDHM O=C(N[C@@H]1C[C@H](CO)c2ccccc21)c1cccc(O)c1[O-] ZINC000372697702 395045122 /nfs/dbraw/zinc/04/51/22/395045122.db2.gz VCIJPDWQNMEANP-QMTHXVAHSA-N -1 3 299.326 2.049 20 10 CECDHM CSC1(CNC(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000194664693 395445928 /nfs/dbraw/zinc/44/59/28/395445928.db2.gz VXNUQMSVWPKAIR-UHFFFAOYSA-N -1 3 267.350 2.032 20 10 CECDHM Cc1ccc(C(=O)N(C)C[C@@H]2CCCC[C@@H]2O)c([O-])c1O ZINC000183004920 261960085 /nfs/dbraw/zinc/96/00/85/261960085.db2.gz XCZYSHINIRNKFF-AAEUAGOBSA-N -1 3 293.363 2.029 20 10 CECDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@@H]1[C@@H]1CCCO1 ZINC000290610079 263117904 /nfs/dbraw/zinc/11/79/04/263117904.db2.gz NTKWZBJYSXVORL-GXTWGEPZSA-N -1 3 291.347 2.127 20 10 CECDHM C[C@]1(O)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294151044 265000037 /nfs/dbraw/zinc/00/00/37/265000037.db2.gz HZBQKMDNUDLUAX-LBPRGKRZSA-N -1 3 259.708 2.141 20 10 CECDHM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cccc(Cl)c1[O-] ZINC000368974798 267215692 /nfs/dbraw/zinc/21/56/92/267215692.db2.gz PEHTXSIPDAVFJP-GAFUQQFSSA-N -1 3 294.782 2.131 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCn2cncc2C1 ZINC000370666406 267336128 /nfs/dbraw/zinc/33/61/28/267336128.db2.gz HBLOGTXWRXVGCY-UHFFFAOYSA-N -1 3 263.728 2.258 20 10 CECDHM C[C@@]12CCN(C(=O)c3cccc(O)c3[O-])C[C@@H]1C2(F)F ZINC000294517068 289226384 /nfs/dbraw/zinc/22/63/84/289226384.db2.gz BWPNAKZPMZQSHS-GXFFZTMASA-N -1 3 283.274 2.215 20 10 CECDHM CO[C@@H]1[C@H](C)[C@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000369094247 328942828 /nfs/dbraw/zinc/94/28/28/328942828.db2.gz GZZTYOAJOXNKQT-BIGNPOOSSA-N -1 3 291.347 2.031 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](O)c2ccccc2C1 ZINC000369144279 328943337 /nfs/dbraw/zinc/94/33/37/328943337.db2.gz OCGCSLOQAMJDNO-AWEZNQCLSA-N -1 3 299.326 2.177 20 10 CECDHM COC[C@@H]1CCCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000375099845 329000619 /nfs/dbraw/zinc/00/06/19/329000619.db2.gz LLTDNMBSXKFUEE-GFCCVEGCSA-N -1 3 293.363 2.295 20 10 CECDHM Cc1ccc(C(=O)N2CCC3(CC3)CC2)c([O-])c1O ZINC000378554823 329054549 /nfs/dbraw/zinc/05/45/49/329054549.db2.gz BVNKDUVTMVXDNQ-UHFFFAOYSA-N -1 3 261.321 2.422 20 10 CECDHM CN(C(=O)/C=C\c1cncc([O-])c1)c1ccc2c(c1)OCO2 ZINC000492517208 332401100 /nfs/dbraw/zinc/40/11/00/332401100.db2.gz DRIPKYDQLZOCFO-DJWKRKHSSA-N -1 3 298.298 2.192 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H]3CCC[C@H]32)c1[O-] ZINC000227156252 333277425 /nfs/dbraw/zinc/27/74/25/333277425.db2.gz HEHKYMDNPCEWQI-HUUCEWRRSA-N -1 3 293.338 2.487 20 10 CECDHM CCN1CCN(Cc2cccc(F)c2[O-])[C@H](C)C1 ZINC000289863817 521689349 /nfs/dbraw/zinc/68/93/49/521689349.db2.gz VNDCJBLCRTXFGI-LLVKDONJSA-N -1 3 252.333 2.057 20 10 CECDHM CC(C)[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000279778171 519805703 /nfs/dbraw/zinc/80/57/03/519805703.db2.gz HDFMFNKDXKKDHA-MFKMUULPSA-N -1 3 279.336 2.031 20 10 CECDHM CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@@H](C)OC ZINC000291105870 521329742 /nfs/dbraw/zinc/32/97/42/521329742.db2.gz SCVCCTFNHRRPPQ-SNVBAGLBSA-N -1 3 298.339 2.166 20 10 CECDHM CO[C@]1(C)CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000280125341 521749930 /nfs/dbraw/zinc/74/99/30/521749930.db2.gz WBNTZWJBCJNTHN-OAHLLOKOSA-N -1 3 279.336 2.129 20 10 CECDHM CC[C@@H]1CCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000292773293 523344221 /nfs/dbraw/zinc/34/42/21/523344221.db2.gz KQXBKSGKYSWMNS-SNVBAGLBSA-N -1 3 266.297 2.293 20 10 CECDHM C[C@@H]1OCC[C@@]12CN(Cc1c([O-])cccc1Cl)CCO2 ZINC000279745847 525586212 /nfs/dbraw/zinc/58/62/12/525586212.db2.gz XZBIFOWSHVFIRA-XHDPSFHLSA-N -1 3 297.782 2.425 20 10 CECDHM O=C(CSc1nnc(C2CC2)[nH]1)c1ccc([O-])c(O)c1 ZINC000030627630 527054258 /nfs/dbraw/zinc/05/42/58/527054258.db2.gz ICVGQMYQSORTRW-UHFFFAOYSA-N -1 3 291.332 2.068 20 10 CECDHM O=C(CSc1nc(C2CC2)n[nH]1)c1ccc([O-])c(O)c1 ZINC000030627630 527054263 /nfs/dbraw/zinc/05/42/63/527054263.db2.gz ICVGQMYQSORTRW-UHFFFAOYSA-N -1 3 291.332 2.068 20 10 CECDHM CN(C)[C@@H](CNC(=O)c1cc([O-])cs1)c1ccco1 ZINC000731864484 574604211 /nfs/dbraw/zinc/60/42/11/574604211.db2.gz XXAOFMAJZROVLH-JTQLQIEISA-N -1 3 280.349 2.079 20 10 CECDHM O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc([O-])cs1 ZINC000731870503 574604490 /nfs/dbraw/zinc/60/44/90/574604490.db2.gz JZJOAVNPEUYBJW-UHFFFAOYSA-N -1 3 278.289 2.292 20 10 CECDHM O=C(NC[C@@H](O)c1ccc(F)cc1)c1cc([O-])cs1 ZINC000732271630 574616877 /nfs/dbraw/zinc/61/68/77/574616877.db2.gz MKRQINGJTSRJBK-LLVKDONJSA-N -1 3 281.308 2.056 20 10 CECDHM O=C(NC[C@H](O)c1ccc(F)cc1)c1cc([O-])cs1 ZINC000732271631 574616925 /nfs/dbraw/zinc/61/69/25/574616925.db2.gz MKRQINGJTSRJBK-NSHDSACASA-N -1 3 281.308 2.056 20 10 CECDHM CN(C[C@H]1CCCCO1)C(=O)c1cc([O-])cs1 ZINC000732276978 574617148 /nfs/dbraw/zinc/61/71/48/574617148.db2.gz YZFTWWNEEFJDLI-SNVBAGLBSA-N -1 3 255.339 2.095 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCOc2ccccc2C1 ZINC000732274640 574617312 /nfs/dbraw/zinc/61/73/12/574617312.db2.gz JWMMWPHIWZPOLF-UHFFFAOYSA-N -1 3 275.329 2.489 20 10 CECDHM O=C(NCCN1Cc2ccccc2C1)c1cc([O-])cs1 ZINC000732278306 574617728 /nfs/dbraw/zinc/61/77/28/574617728.db2.gz HKVKJTBQNAOYME-UHFFFAOYSA-N -1 3 288.372 2.199 20 10 CECDHM CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732353509 574619380 /nfs/dbraw/zinc/61/93/80/574619380.db2.gz RYEJRXNMZQJJNQ-MRVPVSSYSA-N -1 3 285.365 2.304 20 10 CECDHM C[C@H]1C[C@H](CCNC(=O)c2cc([O-])cs2)CCO1 ZINC000753507919 575328322 /nfs/dbraw/zinc/32/83/22/575328322.db2.gz QKOYZSWSSLWGAU-VHSXEESVSA-N -1 3 269.366 2.389 20 10 CECDHM O=C(NCC1CCSCC1)c1cc([O-])cs1 ZINC000733366136 574666268 /nfs/dbraw/zinc/66/62/68/574666268.db2.gz MMHWFGXCQIPLOM-UHFFFAOYSA-N -1 3 257.380 2.327 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000749296937 575212741 /nfs/dbraw/zinc/21/27/41/575212741.db2.gz IJEIFDSNLQICEB-GHMZBOCLSA-N -1 3 281.377 2.342 20 10 CECDHM O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000821541342 598213096 /nfs/dbraw/zinc/21/30/96/598213096.db2.gz SQGMFLMJQDNPIH-AWEZNQCLSA-N -1 3 289.306 2.317 20 10 CECDHM O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1[O-] ZINC000086760120 604465596 /nfs/dbraw/zinc/46/55/96/604465596.db2.gz HZDHFSFCOFNRRJ-HNNXBMFYSA-N -1 3 283.327 2.404 20 10 CECDHM O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1[O-] ZINC000086760120 604465600 /nfs/dbraw/zinc/46/56/00/604465600.db2.gz HZDHFSFCOFNRRJ-HNNXBMFYSA-N -1 3 283.327 2.404 20 10 CECDHM O=C([O-])N1CC[C@H]([N@H+](Cc2cc(F)ccc2[O-])C2CC2)C1 ZINC000834083396 605587882 /nfs/dbraw/zinc/58/78/82/605587882.db2.gz OTRWXRZDWTYEAR-ZDUSSCGKSA-N -1 3 294.326 2.248 20 10 CECDHM O=C([O-])N1CC[C@H]([N@@H+](Cc2cc(F)ccc2[O-])C2CC2)C1 ZINC000834083396 605587886 /nfs/dbraw/zinc/58/78/86/605587886.db2.gz OTRWXRZDWTYEAR-ZDUSSCGKSA-N -1 3 294.326 2.248 20 10 CECDHM CN(Cc1ncc[nH]1)Cc1cc(Cl)ccc1[O-] ZINC000894583482 629545658 /nfs/dbraw/zinc/54/56/58/629545658.db2.gz BHPYUKLHKJIAEB-UHFFFAOYSA-N -1 3 251.717 2.401 20 10 CECDHM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1cc(Cl)ccc1[O-] ZINC000895113768 629913930 /nfs/dbraw/zinc/91/39/30/629913930.db2.gz KDCPPPUASINNGI-IVZWLZJFSA-N -1 3 282.771 2.143 20 10 CECDHM CCOC1(C(=O)NCc2c([O-])cccc2F)CCC1 ZINC000928711755 631130370 /nfs/dbraw/zinc/13/03/70/631130370.db2.gz PNDGZYJQCLSQQU-UHFFFAOYSA-N -1 3 267.300 2.107 20 10 CECDHM CN(CCS(C)(=O)=O)Cc1ccc2ccccc2c1[O-] ZINC000816487324 633398837 /nfs/dbraw/zinc/39/88/37/633398837.db2.gz JMTRVQFKMTXMQI-UHFFFAOYSA-N -1 3 293.388 2.022 20 10 CECDHM CO[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816513287 633405599 /nfs/dbraw/zinc/40/55/99/633405599.db2.gz LWCATZPRPJUNRX-VIFPVBQESA-N -1 3 259.708 2.405 20 10 CECDHM C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[C@@H]1O ZINC000816574989 633416151 /nfs/dbraw/zinc/41/61/51/633416151.db2.gz YQQODRUZYAVXDW-UFBFGSQYSA-N -1 3 273.735 2.387 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NC1CCCC1 ZINC000902944780 634897337 /nfs/dbraw/zinc/89/73/37/634897337.db2.gz MKMZGILQYDFYRQ-UHFFFAOYSA-N -1 3 252.289 2.273 20 10 CECDHM Cc1cc([O-])c(CN2CCN(C)C(=O)[C@@H]2C)cc1Cl ZINC000825567650 635666618 /nfs/dbraw/zinc/66/66/18/635666618.db2.gz LDRAZUVECSAIAK-JTQLQIEISA-N -1 3 282.771 2.017 20 10 CECDHM CC(=O)OC1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876742200 650415944 /nfs/dbraw/zinc/41/59/44/650415944.db2.gz ZGSSLMUITBRERE-UHFFFAOYSA-N -1 3 285.290 2.198 20 10 CECDHM COCc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000126311670 650542309 /nfs/dbraw/zinc/54/23/09/650542309.db2.gz ZTWMSPFIGIXMPV-UHFFFAOYSA-N -1 3 273.288 2.497 20 10 CECDHM O=C(NCCCOCC1CC1)NCc1c([O-])cccc1F ZINC000913940051 640173663 /nfs/dbraw/zinc/17/36/63/640173663.db2.gz UBKKOHFABCKETM-UHFFFAOYSA-N -1 3 296.342 2.147 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1[C@H]1CCCOC1 ZINC000843929510 640558446 /nfs/dbraw/zinc/55/84/46/640558446.db2.gz VKNMBCOYEVQIPM-WCQYABFASA-N -1 3 291.347 2.129 20 10 CECDHM CC1(C)CN(Cc2c([O-])cccc2Cl)[C@@H]2COC[C@H]2O1 ZINC000846117829 641191379 /nfs/dbraw/zinc/19/13/79/641191379.db2.gz HFNGPMLCSJQKHW-TZMCWYRMSA-N -1 3 297.782 2.424 20 10 CECDHM O=C(N[C@@H](C1CC1)C1CCOCC1)c1cccc(O)c1[O-] ZINC000846427555 641301014 /nfs/dbraw/zinc/30/10/14/641301014.db2.gz SMDVXICNZLTJPN-AWEZNQCLSA-N -1 3 291.347 2.033 20 10 CECDHM COCc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000182419379 641658631 /nfs/dbraw/zinc/65/86/31/641658631.db2.gz VKXPQYULGDKXFK-UHFFFAOYSA-N -1 3 293.344 2.339 20 10 CECDHM COC[C@@H](CC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000848313920 641960970 /nfs/dbraw/zinc/96/09/70/641960970.db2.gz ZJZDYQSOHOXEMZ-SNVBAGLBSA-N -1 3 281.352 2.279 20 10 CECDHM C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877409261 650710777 /nfs/dbraw/zinc/71/07/77/650710777.db2.gz ONXPVPDQPZDQQE-VHSXEESVSA-N -1 3 270.323 2.195 20 10 CECDHM CC[C@H]1CN(C)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877553263 650784064 /nfs/dbraw/zinc/78/40/64/650784064.db2.gz MCQLTHJRSSJYCY-NSHDSACASA-N -1 3 270.323 2.196 20 10 CECDHM CC[C@@H]1CN(C)CCN1Cc1ccc(F)c(F)c1[O-] ZINC000877553262 650784345 /nfs/dbraw/zinc/78/43/45/650784345.db2.gz MCQLTHJRSSJYCY-LLVKDONJSA-N -1 3 270.323 2.196 20 10 CECDHM Cc1ccccc1OCCNC(=O)c1cccc(O)c1[O-] ZINC000186991518 643383263 /nfs/dbraw/zinc/38/32/63/643383263.db2.gz ADSWAUQXJZERIN-UHFFFAOYSA-N -1 3 287.315 2.215 20 10 CECDHM CC[C@@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000922933980 643462595 /nfs/dbraw/zinc/46/25/95/643462595.db2.gz MLIFAKOOXFKZMP-WDEREUQCSA-N -1 3 296.342 2.288 20 10 CECDHM O=C(NCC1=CCCC1)NCc1c([O-])cccc1F ZINC000923324677 643663445 /nfs/dbraw/zinc/66/34/45/643663445.db2.gz YXOWPRWSZSZNQD-UHFFFAOYSA-N -1 3 264.300 2.441 20 10 CECDHM C[C@@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1nncn1C ZINC000756531717 644659992 /nfs/dbraw/zinc/65/99/92/644659992.db2.gz BKZSRBIOODAJTN-JGVFFNPUSA-N -1 3 282.294 2.211 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC(Cc2ccsc2)C1 ZINC000857410460 644903999 /nfs/dbraw/zinc/90/39/99/644903999.db2.gz SJLOGPIGJWPAIA-UHFFFAOYSA-N -1 3 289.356 2.474 20 10 CECDHM C[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])CC[S@@]1=O ZINC000763488832 645550970 /nfs/dbraw/zinc/55/09/70/645550970.db2.gz FHIHVIYVTUNPMY-MGNBDDOMSA-N -1 3 287.812 2.389 20 10 CECDHM CN(Cc1c([O-])cccc1Br)C1(CO)CC1 ZINC000862417731 646452737 /nfs/dbraw/zinc/45/27/37/646452737.db2.gz HLBJWVSRTAPOTH-UHFFFAOYSA-N -1 3 286.169 2.111 20 10 CECDHM CC1(C)CCC[C@@](O)(CNC(=O)c2cccc(O)c2[O-])C1 ZINC000783769633 647760120 /nfs/dbraw/zinc/76/01/20/647760120.db2.gz OZGMIKPGUVHQNE-INIZCTEOSA-N -1 3 293.363 2.159 20 10 CECDHM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cccc(O)c1[O-] ZINC000790729294 648443199 /nfs/dbraw/zinc/44/31/99/648443199.db2.gz KIKYJSCYJJPCSC-ZDUSSCGKSA-N -1 3 299.330 2.004 20 10 CECDHM CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000874044572 649740274 /nfs/dbraw/zinc/74/02/74/649740274.db2.gz FUIIINFQGTVPPX-LBPRGKRZSA-N -1 3 279.336 2.088 20 10 CECDHM CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000874044572 649740276 /nfs/dbraw/zinc/74/02/76/649740276.db2.gz FUIIINFQGTVPPX-LBPRGKRZSA-N -1 3 279.336 2.088 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@H](O)CC(C)(C)C2)c1[O-] ZINC000879619926 651331411 /nfs/dbraw/zinc/33/14/11/651331411.db2.gz GDXRIVNBVLVDHQ-CYBMUJFWSA-N -1 3 295.354 2.327 20 10 CECDHM C[C@@H]1C[C@H](O)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142525073 806618525 /nfs/dbraw/zinc/61/85/25/806618525.db2.gz WAKAIZQAGFHRFC-PSASIEDQSA-N -1 3 257.280 2.016 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCN(CCF)CC1 ZINC000402754703 802866616 /nfs/dbraw/zinc/86/66/16/802866616.db2.gz DSMJGYVFPHJWKW-UHFFFAOYSA-N -1 3 272.751 2.133 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCO[C@H]2C[C@@H](CO)C[C@H]21 ZINC001140463088 802936897 /nfs/dbraw/zinc/93/68/97/802936897.db2.gz SBFLZAIFJFICIW-ZBINZKHDSA-N -1 3 297.782 2.017 20 10 CECDHM O=C([O-])[C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000701548585 809442873 /nfs/dbraw/zinc/44/28/73/809442873.db2.gz JBADHVNPCHHDQZ-SWLSCSKDSA-N -1 3 261.321 2.079 20 10 CECDHM O=C([O-])[C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000701548585 809442879 /nfs/dbraw/zinc/44/28/79/809442879.db2.gz JBADHVNPCHHDQZ-SWLSCSKDSA-N -1 3 261.321 2.079 20 10 CECDHM O=C(N[C@@H]1CCCC(F)(F)C1)c1cccc(O)c1[O-] ZINC000702569238 809565614 /nfs/dbraw/zinc/56/56/14/809565614.db2.gz YENDHSIZSHYYIC-MRVPVSSYSA-N -1 3 271.263 2.406 20 10 CECDHM CCOC(=O)C1(F)CCN(Cc2c([O-])cccc2F)CC1 ZINC001137837732 809782488 /nfs/dbraw/zinc/78/24/88/809782488.db2.gz SFDBYIFJJANYNJ-UHFFFAOYSA-N -1 3 299.317 2.399 20 10 CECDHM CCN1CCN(Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000708397967 809928740 /nfs/dbraw/zinc/92/87/40/809928740.db2.gz DQPHJUPGPOCJOB-JTQLQIEISA-N -1 3 270.323 2.196 20 10 CECDHM CCO[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000708402171 809930373 /nfs/dbraw/zinc/93/03/73/809930373.db2.gz VDOJYVMIZHZEMO-NSHDSACASA-N -1 3 257.280 2.281 20 10 CECDHM O=C(Nc1cc(-c2ccccn2)no1)c1cccc(O)c1[O-] ZINC001148211984 814536857 /nfs/dbraw/zinc/53/68/57/814536857.db2.gz GJRZEWUREDWBQK-UHFFFAOYSA-N -1 3 297.270 2.400 20 10 CECDHM O=C(Nc1ccc2ncncc2c1)c1cccc(O)c1[O-] ZINC001148218870 814538382 /nfs/dbraw/zinc/53/83/82/814538382.db2.gz LHCGOCUVDGWSPO-UHFFFAOYSA-N -1 3 281.271 2.293 20 10 CECDHM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148580630 814590395 /nfs/dbraw/zinc/59/03/95/814590395.db2.gz JBFWWFIANHRUQS-RKDXNWHRSA-N -1 3 265.309 2.207 20 10 CECDHM O=C(NC[C@@H]1CCc2ccccc21)c1cc(O)c([O-])c(O)c1 ZINC001148590129 814591504 /nfs/dbraw/zinc/59/15/04/814591504.db2.gz BYSFJTFKNGTHSR-NSHDSACASA-N -1 3 299.326 2.263 20 10 CECDHM CCc1nccc(C)c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583278 814592399 /nfs/dbraw/zinc/59/23/99/814592399.db2.gz WLPKSAQQLSPIRK-UHFFFAOYSA-N -1 3 288.303 2.322 20 10 CECDHM Cc1nnc(CN[C@H](C)c2cc(Cl)ccc2[O-])n1C ZINC001116584384 814866530 /nfs/dbraw/zinc/86/65/30/814866530.db2.gz FEICXQJEXCMPHJ-MRVPVSSYSA-N -1 3 280.759 2.333 20 10 CECDHM CC(=O)N1CCC[C@@H](N(C)Cc2c(F)ccc(F)c2[O-])C1 ZINC001139687853 816084239 /nfs/dbraw/zinc/08/42/39/816084239.db2.gz RUWCEJCKEDAXRG-LLVKDONJSA-N -1 3 298.333 2.113 20 10 CECDHM [O-]c1ccc(F)cc1CN1CC(F)(F)CC[C@H]1CO ZINC001140057660 816181193 /nfs/dbraw/zinc/18/11/93/816181193.db2.gz JJPOHZOPVIWZQR-NSHDSACASA-N -1 3 275.270 2.123 20 10 CECDHM CCOC(=O)[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524672 816679482 /nfs/dbraw/zinc/67/94/82/816679482.db2.gz GCXICCGHVLNFBL-SECBINFHSA-N -1 3 285.290 2.055 20 10 CECDHM COc1cccc(CN(C)Cc2ccccc2[O-])n1 ZINC000171829351 367624185 /nfs/dbraw/zinc/62/41/85/367624185.db2.gz QMSGROHMCUJADE-UHFFFAOYSA-N -1 3 258.321 2.428 20 10 CECDHM CCCN(CCS(=O)(=O)C(C)C)Cc1ccccc1[O-] ZINC000178235268 368293158 /nfs/dbraw/zinc/29/31/58/368293158.db2.gz APJCSXUNWVHXRB-UHFFFAOYSA-N -1 3 299.436 2.427 20 10 CECDHM Cc1cnc(CCN(C)C(=O)c2cccc(O)c2[O-])s1 ZINC000187204367 369120377 /nfs/dbraw/zinc/12/03/77/369120377.db2.gz DGWYASBTFUZUFF-UHFFFAOYSA-N -1 3 292.360 2.177 20 10 CECDHM CCOC1CC(CCNC(=O)c2cccc(O)c2[O-])C1 ZINC000191105946 369678344 /nfs/dbraw/zinc/67/83/44/369678344.db2.gz QQZDKWJEKQXAJT-UHFFFAOYSA-N -1 3 279.336 2.033 20 10 CECDHM CCCC[C@H](COC)NC(=O)c1cccc(O)c1[O-] ZINC000193078930 369890860 /nfs/dbraw/zinc/89/08/60/369890860.db2.gz CTFLXYVINLZVSA-SNVBAGLBSA-N -1 3 267.325 2.033 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000226562644 370345839 /nfs/dbraw/zinc/34/58/39/370345839.db2.gz IOAPSYCCMZFNFY-JSGCOSHPSA-N -1 3 251.301 2.285 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC(OCC2CC2)CC1 ZINC000365555391 372890008 /nfs/dbraw/zinc/89/00/08/372890008.db2.gz FMATUHIJERTJMF-UHFFFAOYSA-N -1 3 291.347 2.129 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCOCC2(CCCC2)C1 ZINC000366159515 372994515 /nfs/dbraw/zinc/99/45/15/372994515.db2.gz PZCGUUVMFJUCEK-UHFFFAOYSA-N -1 3 291.347 2.131 20 10 CECDHM Cc1ccc(C(=O)NC[C@@H](O)C2CCCCC2)c([O-])c1O ZINC000272711702 373625170 /nfs/dbraw/zinc/62/51/70/373625170.db2.gz FCWNMBGZWZZBJI-CYBMUJFWSA-N -1 3 293.363 2.077 20 10 CECDHM CCO[C@@H]1C[C@@H](NCc2c([O-])cccc2Cl)[C@@H]1OC ZINC000273813025 373772818 /nfs/dbraw/zinc/77/28/18/373772818.db2.gz WXHMOZLARJAACE-BNOWGMLFSA-N -1 3 285.771 2.328 20 10 CECDHM CCCCN1CC(=O)N[C@H]1c1cc(Cl)cc(OC)c1[O-] ZINC000273477943 373760664 /nfs/dbraw/zinc/76/06/64/373760664.db2.gz IFKFWFIOFQAWID-CQSZACIVSA-N -1 3 298.770 2.285 20 10 CECDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])CC(C)(C)O1 ZINC000275944165 374222616 /nfs/dbraw/zinc/22/26/16/374222616.db2.gz CRLJQSNRQDYEFV-UHFFFAOYSA-N -1 3 279.336 2.127 20 10 CECDHM CC(C)[C@@H](NCc1ccccc1[O-])c1nncn1C ZINC000285517402 375840321 /nfs/dbraw/zinc/84/03/21/375840321.db2.gz OAAGFPCYIWSBFV-CYBMUJFWSA-N -1 3 260.341 2.008 20 10 CECDHM CNC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000291993674 377220337 /nfs/dbraw/zinc/22/03/37/377220337.db2.gz WWDLUARULBCKJR-RQJHMYQMSA-N -1 3 291.178 2.484 20 10 CECDHM CCc1nocc1CN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000293953998 377845172 /nfs/dbraw/zinc/84/51/72/377845172.db2.gz HXNINPKFFFDMDR-UHFFFAOYSA-N -1 3 290.319 2.229 20 10 CECDHM CCCN(CC(=O)NC)Cc1cc(Cl)c(F)cc1[O-] ZINC000295415567 378146901 /nfs/dbraw/zinc/14/69/01/378146901.db2.gz RVPZVZDAORPUDG-UHFFFAOYSA-N -1 3 288.750 2.143 20 10 CECDHM O=C(N[C@H]1CCN(Cc2cccc(F)c2[O-])C1)C1CCC1 ZINC000360673759 394805224 /nfs/dbraw/zinc/80/52/24/394805224.db2.gz RRLNHMOPRXEVCF-ZDUSSCGKSA-N -1 3 292.354 2.022 20 10 CECDHM CO[C@H]1Cc2ccccc2N(C(=O)c2cccc(O)c2[O-])C1 ZINC000374405301 395081698 /nfs/dbraw/zinc/08/16/98/395081698.db2.gz XMAXNVMFULWLHB-LBPRGKRZSA-N -1 3 299.326 2.316 20 10 CECDHM CCCN(CC(=O)OCC)Cc1ccccc1[O-] ZINC000160160714 261206628 /nfs/dbraw/zinc/20/66/28/261206628.db2.gz DKCMAVONTCUPOP-UHFFFAOYSA-N -1 3 251.326 2.167 20 10 CECDHM Cc1ccc(C(=O)N(CC(F)F)C2CC2)c([O-])c1O ZINC000179485757 261791113 /nfs/dbraw/zinc/79/11/13/261791113.db2.gz RBYAQDWPGABWSO-UHFFFAOYSA-N -1 3 271.263 2.276 20 10 CECDHM C[C@H](NCC(=O)NCC1CC1)c1cc(Cl)ccc1[O-] ZINC000186505072 262095599 /nfs/dbraw/zinc/09/55/99/262095599.db2.gz XXUTUSRTLOCXRN-VIFPVBQESA-N -1 3 282.771 2.222 20 10 CECDHM CCCN(CC(F)F)C(=O)c1cccc(O)c1[O-] ZINC000187049901 262377179 /nfs/dbraw/zinc/37/71/79/262377179.db2.gz QGHVBDMMXIWGCT-UHFFFAOYSA-N -1 3 259.252 2.215 20 10 CECDHM CCC(CC)(CCO)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000283046557 263080580 /nfs/dbraw/zinc/08/05/80/263080580.db2.gz IRCFEKDCYXYFAK-UHFFFAOYSA-N -1 3 281.352 2.077 20 10 CECDHM CNC(=O)OC[C@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000290213874 263115415 /nfs/dbraw/zinc/11/54/15/263115415.db2.gz QVCGJCBMOXOCTF-GFCCVEGCSA-N -1 3 296.342 2.242 20 10 CECDHM CC[C@](C)(NCc1cc(F)cc(C(C)=O)c1[O-])C(=O)OC ZINC000293057855 263137779 /nfs/dbraw/zinc/13/77/79/263137779.db2.gz GHDWCWSZHAEFOP-HNNXBMFYSA-N -1 3 297.326 2.165 20 10 CECDHM C[C@@H](N[C@@H]1COC[C@H]1O)c1cc(Cl)c(Cl)cc1[O-] ZINC000296048840 265034766 /nfs/dbraw/zinc/03/47/66/265034766.db2.gz UYTKFSKIBQWVCK-KXHDPYLZSA-N -1 3 292.162 2.109 20 10 CECDHM CC[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000376635525 268004266 /nfs/dbraw/zinc/00/42/66/268004266.db2.gz WYFYEAXGEKGHOA-HOCLYGCPSA-N -1 3 295.354 2.301 20 10 CECDHM C[C@@H]1OCC[C@@]12CN(Cc1cc(Cl)ccc1[O-])CCO2 ZINC000377274183 268063178 /nfs/dbraw/zinc/06/31/78/268063178.db2.gz WNSLEDALAUGYPI-XHDPSFHLSA-N -1 3 297.782 2.425 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCO[C@H](CC(=O)OC)C1 ZINC000372568313 281025295 /nfs/dbraw/zinc/02/52/95/281025295.db2.gz HLPFVWWIOBYCES-TZMCWYRMSA-N -1 3 293.363 2.107 20 10 CECDHM C[C@H](NCc1cccc(Cl)c1[O-])C(=O)N1CCCC1 ZINC000135778666 334138582 /nfs/dbraw/zinc/13/85/82/334138582.db2.gz XMFBNJKUVSYTEO-JTQLQIEISA-N -1 3 282.771 2.146 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC([C@H](C)O)CC2)c1[O-] ZINC000079433945 518284457 /nfs/dbraw/zinc/28/44/57/518284457.db2.gz XVDODVLSCFOBAF-JTQLQIEISA-N -1 3 295.354 2.327 20 10 CECDHM CC(C)(C)c1cnc(CNC(=O)c2cccc(O)c2[O-])o1 ZINC000276384222 519070652 /nfs/dbraw/zinc/07/06/52/519070652.db2.gz DWSMAWZNRFRANC-UHFFFAOYSA-N -1 3 290.319 2.313 20 10 CECDHM CCCCN1CC(=O)N[C@@H]1c1cc(OCC)ccc1[O-] ZINC000298772310 520568243 /nfs/dbraw/zinc/56/82/43/520568243.db2.gz FSCXCYDZOBZPTQ-HNNXBMFYSA-N -1 3 278.352 2.021 20 10 CECDHM CCCC[C@@H](NCc1cc(F)ccc1[O-])C(=O)OC ZINC000083513793 521100603 /nfs/dbraw/zinc/10/06/03/521100603.db2.gz WHHNFODDGNJQLS-GFCCVEGCSA-N -1 3 269.316 2.353 20 10 CECDHM COc1c([O-])c(CN2CCS[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278323485 521870667 /nfs/dbraw/zinc/87/06/67/521870667.db2.gz YJJVKXZYHHHKAB-SECBINFHSA-N -1 3 298.364 2.246 20 10 CECDHM CN(Cc1nnc2n1CCCCC2)Cc1ccccc1[O-] ZINC000264694077 523610841 /nfs/dbraw/zinc/61/08/41/523610841.db2.gz IAJLXRRQGCUASJ-UHFFFAOYSA-N -1 3 286.379 2.342 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](c2ccco2)C1 ZINC000364828490 526772430 /nfs/dbraw/zinc/77/24/30/526772430.db2.gz FJYYXSQLAXSWEL-SNVBAGLBSA-N -1 3 273.288 2.321 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCc3c[nH]nc3C2)c1[O-] ZINC000750720688 574458555 /nfs/dbraw/zinc/45/85/55/574458555.db2.gz ROCALYSMZIJKCF-UHFFFAOYSA-N -1 3 289.310 2.015 20 10 CECDHM COc1ccc(CCNC(=O)c2cc([O-])cs2)cc1 ZINC000731865301 574604250 /nfs/dbraw/zinc/60/42/50/574604250.db2.gz AUAGWHUGEISSSP-UHFFFAOYSA-N -1 3 277.345 2.435 20 10 CECDHM C[C@@H]1c2cccn2CCN1C(=O)c1cc([O-])cs1 ZINC000731868146 574604851 /nfs/dbraw/zinc/60/48/51/574604851.db2.gz NUBMXCQIDKKAKB-SECBINFHSA-N -1 3 262.334 2.472 20 10 CECDHM CS(=O)(=O)c1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000731867509 574604862 /nfs/dbraw/zinc/60/48/62/574604862.db2.gz LTDOTMYMVQYRRU-UHFFFAOYSA-N -1 3 297.357 2.110 20 10 CECDHM O=C(NCc1cn2ccccc2n1)c1cc([O-])cs1 ZINC000732262296 574616135 /nfs/dbraw/zinc/61/61/35/574616135.db2.gz UDTXPTHZXUPFRB-UHFFFAOYSA-N -1 3 273.317 2.031 20 10 CECDHM O=C(NCCc1ccsc1)c1cc([O-])cs1 ZINC000732269086 574616517 /nfs/dbraw/zinc/61/65/17/574616517.db2.gz PXXKHOOHBPLCID-UHFFFAOYSA-N -1 3 253.348 2.488 20 10 CECDHM C[C@@H](O)c1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000732276712 574617226 /nfs/dbraw/zinc/61/72/26/574617226.db2.gz YBDGMBZQYAJCGI-SECBINFHSA-N -1 3 277.345 2.437 20 10 CECDHM CCC(CC)(CNC(=O)[O-])[NH2+]Cc1ccccc1[O-] ZINC000739253216 574903710 /nfs/dbraw/zinc/90/37/10/574903710.db2.gz DILXZWUCLOFTAV-UHFFFAOYSA-N -1 3 266.341 2.308 20 10 CECDHM Cc1cc([O-])c(C[N@@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1C ZINC000740089386 574941817 /nfs/dbraw/zinc/94/18/17/574941817.db2.gz SFXZXOCTAJWMBI-JSGCOSHPSA-N -1 3 292.379 2.487 20 10 CECDHM Cc1cc([O-])c(C[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)cc1C ZINC000740089386 574941818 /nfs/dbraw/zinc/94/18/18/574941818.db2.gz SFXZXOCTAJWMBI-JSGCOSHPSA-N -1 3 292.379 2.487 20 10 CECDHM Cc1ccoc1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000742368939 575017373 /nfs/dbraw/zinc/01/73/73/575017373.db2.gz RURNXQDPZGXOBP-UHFFFAOYSA-N -1 3 262.265 2.492 20 10 CECDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@H](C)S1 ZINC000743728759 575109193 /nfs/dbraw/zinc/10/91/93/575109193.db2.gz WJLWLTNRXXZISF-OCAPTIKFSA-N -1 3 257.380 2.420 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCCC2(CCOCC2)C1 ZINC000743674713 575108284 /nfs/dbraw/zinc/10/82/84/575108284.db2.gz SQXFNQRUQIAATK-UHFFFAOYSA-N -1 3 281.377 2.487 20 10 CECDHM CC(C)N1CCC[C@H](OC(=O)c2cc([O-])cs2)C1=O ZINC000748191690 575180120 /nfs/dbraw/zinc/18/01/20/575180120.db2.gz SOYLFRQGXNRNMV-JTQLQIEISA-N -1 3 283.349 2.010 20 10 CECDHM C[C@H](Cc1ccncc1)NC(=O)c1cc([O-])cs1 ZINC000749543277 575224829 /nfs/dbraw/zinc/22/48/29/575224829.db2.gz DNMSUCCBRPKFNG-SECBINFHSA-N -1 3 262.334 2.210 20 10 CECDHM Cc1ccc(C(=O)NC[C@H]2Cc3ccccc3O2)c([O-])c1O ZINC000751534647 575291464 /nfs/dbraw/zinc/29/14/64/575291464.db2.gz YUICTCHXHRFLRG-GFCCVEGCSA-N -1 3 299.326 2.140 20 10 CECDHM COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000820870837 598151449 /nfs/dbraw/zinc/15/14/49/598151449.db2.gz BQQQVIKUJYRXAJ-NSHDSACASA-N -1 3 279.336 2.088 20 10 CECDHM COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000820870837 598151450 /nfs/dbraw/zinc/15/14/50/598151450.db2.gz BQQQVIKUJYRXAJ-NSHDSACASA-N -1 3 279.336 2.088 20 10 CECDHM O=C([O-])N1CC[C@@H]([N@H+](Cc2cc(F)ccc2[O-])C2CC2)C1 ZINC000834083394 605587905 /nfs/dbraw/zinc/58/79/05/605587905.db2.gz OTRWXRZDWTYEAR-CYBMUJFWSA-N -1 3 294.326 2.248 20 10 CECDHM O=C([O-])N1CC[C@@H]([N@@H+](Cc2cc(F)ccc2[O-])C2CC2)C1 ZINC000834083394 605587908 /nfs/dbraw/zinc/58/79/08/605587908.db2.gz OTRWXRZDWTYEAR-CYBMUJFWSA-N -1 3 294.326 2.248 20 10 CECDHM O=C(N[C@H](c1ccncc1)C1CC1)c1cccc(O)c1[O-] ZINC000890907227 623058335 /nfs/dbraw/zinc/05/83/35/623058335.db2.gz CNNUKYSGXCZDBI-AWEZNQCLSA-N -1 3 284.315 2.374 20 10 CECDHM CC[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1O ZINC000775744006 628334886 /nfs/dbraw/zinc/33/48/86/628334886.db2.gz IUZGPEAUTYMTSY-QPUJVOFHSA-N -1 3 273.735 2.387 20 10 CECDHM C[C@@H]1CC[C@@H](O)CN1Cc1cc(F)cc(F)c1[O-] ZINC000895033817 629806832 /nfs/dbraw/zinc/80/68/32/629806832.db2.gz KLMSAFJZYVNVNK-LDYMZIIASA-N -1 3 257.280 2.016 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@@H](n2ccnn2)C1 ZINC000895053700 629826504 /nfs/dbraw/zinc/82/65/04/629826504.db2.gz SGFOYIFBXGRSCW-GFCCVEGCSA-N -1 3 294.305 2.099 20 10 CECDHM O=C1CCC2=C(CCN(Cc3cc(F)cc(F)c3[O-])C2)N1 ZINC000895226087 630044786 /nfs/dbraw/zinc/04/47/86/630044786.db2.gz SXODUTQSNQDZIS-UHFFFAOYSA-N -1 3 294.301 2.040 20 10 CECDHM CO[C@H]1CN(Cc2ccc3ccccc3c2[O-])CCO1 ZINC000895962160 630415550 /nfs/dbraw/zinc/41/55/50/630415550.db2.gz HRSBVAOXDWTHKX-OAHLLOKOSA-N -1 3 273.332 2.350 20 10 CECDHM Cn1nc2c(c1CNCc1c([O-])cccc1F)CCC2 ZINC000896636695 630620853 /nfs/dbraw/zinc/62/08/53/630620853.db2.gz ANWNGVVFYSKVCQ-UHFFFAOYSA-N -1 3 275.327 2.043 20 10 CECDHM O=C(NC[C@@H](CO)CC1CCCC1)c1cccc(O)c1[O-] ZINC000799052729 630966218 /nfs/dbraw/zinc/96/62/18/630966218.db2.gz JIJAHFZAPDEPJN-LBPRGKRZSA-N -1 3 293.363 2.016 20 10 CECDHM O=C(NCc1c([O-])cccc1F)[C@]12CCC[C@H]1OCC2 ZINC000928709933 631129810 /nfs/dbraw/zinc/12/98/10/631129810.db2.gz OCFKQXFRZADDFG-HIFRSBDPSA-N -1 3 279.311 2.107 20 10 CECDHM [O-]c1c(Cl)cccc1CNCc1cc2n(n1)CCC2 ZINC000898214561 632091309 /nfs/dbraw/zinc/09/13/09/632091309.db2.gz DGZYUDLUESDGPM-UHFFFAOYSA-N -1 3 277.755 2.478 20 10 CECDHM C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])N(C)C ZINC000813684033 632724571 /nfs/dbraw/zinc/72/45/71/632724571.db2.gz JLHNGCJCYZIKQE-ZETCQYMHSA-N -1 3 291.178 2.265 20 10 CECDHM COC(=O)[C@H]1[C@@H]2CN(Cc3cc(Cl)cc(F)c3[O-])C[C@@H]21 ZINC000814173032 632799594 /nfs/dbraw/zinc/79/95/94/632799594.db2.gz GWBCBIBZJFOLER-IAZYJMLFSA-N -1 3 299.729 2.036 20 10 CECDHM C[C@H]1C[C@@H](O)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816589428 633418058 /nfs/dbraw/zinc/41/80/58/633418058.db2.gz XZTQOGJHLMCUMH-IONNQARKSA-N -1 3 259.708 2.140 20 10 CECDHM [O-]c1ccc(F)cc1CNCc1ncn(-c2ccccc2)n1 ZINC000816665135 633459757 /nfs/dbraw/zinc/45/97/57/633459757.db2.gz UKFCHIHMAUDALS-UHFFFAOYSA-N -1 3 298.321 2.402 20 10 CECDHM CCOc1ccc(C[NH2+]CCC(C)(C)C(=O)[O-])c([O-])c1 ZINC000818629259 633966574 /nfs/dbraw/zinc/96/65/74/633966574.db2.gz YLUGZLVHGZAYII-UHFFFAOYSA-N -1 3 281.352 2.381 20 10 CECDHM Cc1cc([O-])c(CN(C)CC(=O)N2CCCC2)cc1Cl ZINC000824542173 635446711 /nfs/dbraw/zinc/44/67/11/635446711.db2.gz PONDRFGIJIJKOR-UHFFFAOYSA-N -1 3 296.798 2.408 20 10 CECDHM C[C@@H]1[C@H](O)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000825104425 635569904 /nfs/dbraw/zinc/56/99/04/635569904.db2.gz WSQJKDSDCGYTTG-GMSGAONNSA-N -1 3 259.708 2.140 20 10 CECDHM COC[C@@H]1CCN1Cc1ccc(Br)cc1[O-] ZINC000826011405 635745383 /nfs/dbraw/zinc/74/53/83/635745383.db2.gz HFHSQRUBQQMZRV-NSHDSACASA-N -1 3 286.169 2.375 20 10 CECDHM CSCCCNC(=S)NCc1c([O-])cccc1F ZINC000905661693 636369911 /nfs/dbraw/zinc/36/99/11/636369911.db2.gz PEGPEAILHPNAID-UHFFFAOYSA-N -1 3 288.413 2.249 20 10 CECDHM CC1(NC(=S)NCc2c([O-])cccc2F)CC1 ZINC000905661718 636370267 /nfs/dbraw/zinc/37/02/67/636370267.db2.gz PVEJZLQLZSFWRK-UHFFFAOYSA-N -1 3 254.330 2.048 20 10 CECDHM Cc1noc(C)c1CNC(=O)NCc1c([O-])cccc1F ZINC000914381938 640337958 /nfs/dbraw/zinc/33/79/58/640337958.db2.gz FSJZSZMXDRGXOV-UHFFFAOYSA-N -1 3 293.298 2.136 20 10 CECDHM COCC1=CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877415516 650713132 /nfs/dbraw/zinc/71/31/32/650713132.db2.gz DYCJERGNLKIMBD-UHFFFAOYSA-N -1 3 269.291 2.449 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NOCCC(F)(F)F ZINC000922092714 642875399 /nfs/dbraw/zinc/87/53/99/642875399.db2.gz KXVKNFUFWMTNOS-UHFFFAOYSA-N -1 3 296.220 2.215 20 10 CECDHM COC(OC)[C@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000922313497 643024446 /nfs/dbraw/zinc/02/44/46/643024446.db2.gz QPCQAGOUBSETRE-ZETCQYMHSA-N -1 3 277.723 2.282 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCCSC1 ZINC000922491427 643095542 /nfs/dbraw/zinc/09/55/42/643095542.db2.gz MNKAZFQJOZQSSW-JTQLQIEISA-N -1 3 298.383 2.474 20 10 CECDHM CCN1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC000110728055 643491216 /nfs/dbraw/zinc/49/12/16/643491216.db2.gz MJWFMJYFGAXSON-NSHDSACASA-N -1 3 294.370 2.260 20 10 CECDHM C[C@@H]1CCC[C@@H](CNC(=O)NCc2c([O-])cccc2F)O1 ZINC000923285567 643639650 /nfs/dbraw/zinc/63/96/50/643639650.db2.gz HTWHAIBOAVLXRG-MNOVXSKESA-N -1 3 296.342 2.288 20 10 CECDHM Cc1noc(C2CN(Cc3c([O-])cccc3Cl)C2)n1 ZINC000839130802 644167884 /nfs/dbraw/zinc/16/78/84/644167884.db2.gz HFMRGIRCBFVEGL-UHFFFAOYSA-N -1 3 279.727 2.336 20 10 CECDHM C[C@@H](NCc1ccc(F)c(F)c1[O-])c1ccnn1C ZINC000877761329 650900855 /nfs/dbraw/zinc/90/08/55/650900855.db2.gz FNLSRCUDCWNBMH-MRVPVSSYSA-N -1 3 267.279 2.255 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCc2n[nH]cc2C1 ZINC000857877000 644994072 /nfs/dbraw/zinc/99/40/72/644994072.db2.gz KUUQJRFHYJCHTF-UHFFFAOYSA-N -1 3 263.728 2.327 20 10 CECDHM CC1(C)C[C@@H](CNC(=O)c2cccc(O)c2[O-])C(C)(C)O1 ZINC000885839361 646882293 /nfs/dbraw/zinc/88/22/93/646882293.db2.gz IMGVLCNKKDGLRA-JTQLQIEISA-N -1 3 293.363 2.421 20 10 CECDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H](O)C1 ZINC000775638523 646975056 /nfs/dbraw/zinc/97/50/56/646975056.db2.gz JNVRLOSADIINSY-JTQLQIEISA-N -1 3 259.708 2.141 20 10 CECDHM CN(C(=O)c1cccc(O)c1[O-])c1ccc2c(c1)OCO2 ZINC000776677978 647081911 /nfs/dbraw/zinc/08/19/11/647081911.db2.gz ZOGQCOQLURAPSB-UHFFFAOYSA-N -1 3 287.271 2.103 20 10 CECDHM COc1nn(C)cc1N[C@@H](C)c1ccc(F)cc1[O-] ZINC000788983794 648241809 /nfs/dbraw/zinc/24/18/09/648241809.db2.gz GZSQXVJRNFXEKX-QMMMGPOBSA-N -1 3 265.288 2.447 20 10 CECDHM O=C(NCc1ccc2c(c1)COC2)c1cccc(O)c1[O-] ZINC000790893942 648458398 /nfs/dbraw/zinc/45/83/98/648458398.db2.gz ABDLPVJNKSPPSS-UHFFFAOYSA-N -1 3 285.299 2.058 20 10 CECDHM C[C@]1(O)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792171183 648619180 /nfs/dbraw/zinc/61/91/80/648619180.db2.gz ZCCCZDYLRPORFD-LBPRGKRZSA-N -1 3 259.708 2.141 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@@H](O)CC(C)(C)C2)c1[O-] ZINC000879619927 651331211 /nfs/dbraw/zinc/33/12/11/651331211.db2.gz GDXRIVNBVLVDHQ-ZDUSSCGKSA-N -1 3 295.354 2.327 20 10 CECDHM CCOC(=O)CN(C)Cc1cc(Cl)ccc1[O-] ZINC000128565371 651486947 /nfs/dbraw/zinc/48/69/47/651486947.db2.gz LCHWXTNAMQNVMF-UHFFFAOYSA-N -1 3 257.717 2.041 20 10 CECDHM CCC[C@@H](CNC(=O)c1cccc(O)c1[O-])OCC ZINC000705329046 809779260 /nfs/dbraw/zinc/77/92/60/809779260.db2.gz VEYFHLXJENYXER-JTQLQIEISA-N -1 3 267.325 2.033 20 10 CECDHM O=C(NC[C@@H]1CCCC12CC2)c1cccc(O)c1[O-] ZINC000706288004 809816821 /nfs/dbraw/zinc/81/68/21/809816821.db2.gz FZWPLRGCAFOEIG-JTQLQIEISA-N -1 3 261.321 2.408 20 10 CECDHM Cc1nnc([C@@H](C)NCc2c([O-])cccc2Cl)[nH]1 ZINC000392455909 813304132 /nfs/dbraw/zinc/30/41/32/813304132.db2.gz JATIDGNHJOTHGO-SSDOTTSWSA-N -1 3 266.732 2.323 20 10 CECDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])CC(F)(F)F ZINC000397047226 813596538 /nfs/dbraw/zinc/59/65/38/813596538.db2.gz PZSDBAJIBBAYLB-SSDOTTSWSA-N -1 3 277.242 2.416 20 10 CECDHM CCOc1ncc(NC(=O)c2cccc(O)c2[O-])cc1F ZINC001148212515 814536849 /nfs/dbraw/zinc/53/68/49/814536849.db2.gz AZKVYOYVIIZWEM-UHFFFAOYSA-N -1 3 292.266 2.283 20 10 CECDHM Cc1ccc(C2(NC(=O)c3cccc(O)c3[O-])COC2)cc1 ZINC001148220065 814537862 /nfs/dbraw/zinc/53/78/62/814537862.db2.gz NULWXHALUXCTIT-UHFFFAOYSA-N -1 3 299.326 2.062 20 10 CECDHM Cn1cc(NCc2cc3ccccc3cc2[O-])cnc1=O ZINC001171404383 814901536 /nfs/dbraw/zinc/90/15/36/814901536.db2.gz BWZUEUGECKWUHI-UHFFFAOYSA-N -1 3 281.315 2.251 20 10 CECDHM C[C@H]1CCN(Cc2c([O-])cccc2F)CCC1=O ZINC001137832976 815692360 /nfs/dbraw/zinc/69/23/60/815692360.db2.gz OIZCUQYNXLVCMP-JTQLQIEISA-N -1 3 251.301 2.332 20 10 CECDHM COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1cccc(F)c1[O-] ZINC001138131295 815736406 /nfs/dbraw/zinc/73/64/06/815736406.db2.gz VEEVCJGPLVKKGJ-CDMKHQONSA-N -1 3 279.311 2.057 20 10 CECDHM COc1ccc(N2CCN(Cc3ncccc3[O-])CC2)cc1 ZINC001138391783 815786114 /nfs/dbraw/zinc/78/61/14/815786114.db2.gz YAQKZSVMJJOZHP-UHFFFAOYSA-N -1 3 299.374 2.118 20 10 CECDHM O=C1CN(Cc2cc(F)ccc2[O-])CCN1C1CCCC1 ZINC001140055353 816179171 /nfs/dbraw/zinc/17/91/71/816179171.db2.gz DYQTUHBQBHYOCT-UHFFFAOYSA-N -1 3 292.354 2.118 20 10 CECDHM [O-]c1cccc(Cl)c1CN1C[C@H](CO)CC(F)(F)C1 ZINC001140337706 816235655 /nfs/dbraw/zinc/23/56/55/816235655.db2.gz AFKUELMWXFDNNE-SECBINFHSA-N -1 3 291.725 2.495 20 10 CECDHM COC(=O)CC1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140581668 816290867 /nfs/dbraw/zinc/29/08/67/816290867.db2.gz WTKYSROVMPNVIY-UHFFFAOYSA-N -1 3 299.317 2.446 20 10 CECDHM CCCC[C@@H](O)CCC(=O)NCc1c([O-])cccc1F ZINC001178413007 816744216 /nfs/dbraw/zinc/74/42/16/816744216.db2.gz KHFGVHIYQLBBTA-LLVKDONJSA-N -1 3 283.343 2.479 20 10 CECDHM CN(CC(=O)NCCC(C)(C)C)Cc1ccccc1[O-] ZINC000111235600 364724463 /nfs/dbraw/zinc/72/44/63/364724463.db2.gz CNIQCEKWNFTBFD-UHFFFAOYSA-N -1 3 278.396 2.376 20 10 CECDHM CC(C)N1CC[C@@H](N[C@H](C)c2ccc(F)c(F)c2[O-])C1=O ZINC000187784450 369221012 /nfs/dbraw/zinc/22/10/12/369221012.db2.gz VREDKPUJCTVFGL-BXKDBHETSA-N -1 3 298.333 2.330 20 10 CECDHM COC(=O)c1ccc(CN(C)Cc2ccccc2[O-])[nH]1 ZINC000272766114 373649461 /nfs/dbraw/zinc/64/94/61/373649461.db2.gz RHHCVYXCNWDWOZ-UHFFFAOYSA-N -1 3 274.320 2.139 20 10 CECDHM C[C@@H](N[C@@H](C)c1cn[nH]c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273531995 373761961 /nfs/dbraw/zinc/76/19/61/373761961.db2.gz WMIBIIURXLJGQY-DTWKUNHWSA-N -1 3 276.296 2.435 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H](C)C2)c1[O-] ZINC000374351429 374547849 /nfs/dbraw/zinc/54/78/49/374547849.db2.gz CIHHSNJUYBTYFB-SNVBAGLBSA-N -1 3 281.327 2.202 20 10 CECDHM CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1[O-] ZINC000374872749 374632908 /nfs/dbraw/zinc/63/29/08/374632908.db2.gz FHZMKZZZAMLHNW-INIZCTEOSA-N -1 3 296.370 2.065 20 10 CECDHM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc(O)c1[O-] ZINC000403472980 375377358 /nfs/dbraw/zinc/37/73/58/375377358.db2.gz PHGCYQRDWZFMEO-OUAUKWLOSA-N -1 3 261.321 2.264 20 10 CECDHM Cc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n(C)n1 ZINC000284281517 375826068 /nfs/dbraw/zinc/82/60/68/375826068.db2.gz JUWOBELYKLAJHC-JTQLQIEISA-N -1 3 290.323 2.193 20 10 CECDHM C[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CC(=O)N1 ZINC000294970949 378032580 /nfs/dbraw/zinc/03/25/80/378032580.db2.gz JCEGTORNQQGRAD-CYBMUJFWSA-N -1 3 296.370 2.380 20 10 CECDHM CN(C)C(=O)O[C@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000294817035 378021122 /nfs/dbraw/zinc/02/11/22/378021122.db2.gz ONXPXXXYXOCQCZ-ZDUSSCGKSA-N -1 3 296.342 2.194 20 10 CECDHM CC(C)NC(=O)OC1CN(Cc2c([O-])cccc2Cl)C1 ZINC000297350205 378682310 /nfs/dbraw/zinc/68/23/10/378682310.db2.gz GMOWIENXVRDORV-UHFFFAOYSA-N -1 3 298.770 2.364 20 10 CECDHM COCCN(CC(C)C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000177670654 395154458 /nfs/dbraw/zinc/15/44/58/395154458.db2.gz JINSXXSPVGDWQK-UHFFFAOYSA-N -1 3 281.352 2.151 20 10 CECDHM C[C@@H]1CN=C(N2CCN(Cc3ccccc3[O-])CC2)S1 ZINC000179579990 395196590 /nfs/dbraw/zinc/19/65/90/395196590.db2.gz JHYRBPCEXMLIGX-GFCCVEGCSA-N -1 3 291.420 2.001 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCS(=O)(=O)C[C@H](C)C1 ZINC000368034796 260591854 /nfs/dbraw/zinc/59/18/54/260591854.db2.gz CSRFEAZEEXTFOG-TZMCWYRMSA-N -1 3 297.420 2.210 20 10 CECDHM CCC[C@@](C)(NCc1ccccc1[O-])C(=O)OC ZINC000184047313 262006175 /nfs/dbraw/zinc/00/61/75/262006175.db2.gz YGWILXRFXOJXCL-CQSZACIVSA-N -1 3 251.326 2.214 20 10 CECDHM CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(F)cc1[O-] ZINC000186029890 262075999 /nfs/dbraw/zinc/07/59/99/262075999.db2.gz OAINZQAJJNTLQL-NXEZZACHSA-N -1 3 289.372 2.005 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000368028316 267137217 /nfs/dbraw/zinc/13/72/17/267137217.db2.gz CPLFLXXWTMOKAE-MRVWCRGKSA-N -1 3 293.363 2.106 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1CCOC[C@@]12CCOC2 ZINC000370736813 267343179 /nfs/dbraw/zinc/34/31/79/267343179.db2.gz HCJLVHMEJJYBNH-HOCLYGCPSA-N -1 3 277.364 2.335 20 10 CECDHM O=C1NCCN(Cc2ccccc2[O-])[C@H]1c1ccccc1 ZINC000179565358 329209903 /nfs/dbraw/zinc/20/99/03/329209903.db2.gz MRWGIRNOXRCLPU-INIZCTEOSA-N -1 3 282.343 2.065 20 10 CECDHM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC000180287390 329219325 /nfs/dbraw/zinc/21/93/25/329219325.db2.gz ZHQBDFUDNPYIQU-IIAWOOMASA-N -1 3 295.354 2.300 20 10 CECDHM CC[C@@H](NCc1cnn(CC)n1)c1ccc(F)cc1[O-] ZINC000527924489 330296426 /nfs/dbraw/zinc/29/64/26/330296426.db2.gz PUJBKMNMDXHMCK-CYBMUJFWSA-N -1 3 278.331 2.384 20 10 CECDHM CC(C)CSCCNC(=O)c1cccc(O)c1[O-] ZINC000280011455 519769516 /nfs/dbraw/zinc/76/95/16/519769516.db2.gz WDUYRGUZGSRJMZ-UHFFFAOYSA-N -1 3 269.366 2.217 20 10 CECDHM CCn1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cn1 ZINC000278499486 523436398 /nfs/dbraw/zinc/43/63/98/523436398.db2.gz NMSXTSMHGQWJOC-UHFFFAOYSA-N -1 3 292.295 2.138 20 10 CECDHM CO[C@@]1(C)CCCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000279990874 523805006 /nfs/dbraw/zinc/80/50/06/523805006.db2.gz LSJGEARBYGQDDX-INIZCTEOSA-N -1 3 293.363 2.437 20 10 CECDHM CN1CCN(C(=O)c2cccc(O)c2[O-])Cc2ccccc21 ZINC000364809620 523883461 /nfs/dbraw/zinc/88/34/61/523883461.db2.gz JGRJTFXDSRVEPH-UHFFFAOYSA-N -1 3 298.342 2.190 20 10 CECDHM Cc1cc(Cl)cc(CN2CC(=O)N(CC3CC3)C2)c1[O-] ZINC000279515150 524862016 /nfs/dbraw/zinc/86/20/16/524862016.db2.gz XRTUQBDMBOFGET-UHFFFAOYSA-N -1 3 294.782 2.366 20 10 CECDHM O=C(Nc1ccc(N2CCCC2)cn1)c1cccc(O)c1[O-] ZINC000275175737 527222331 /nfs/dbraw/zinc/22/23/31/527222331.db2.gz XESGXSSLKKKIAX-UHFFFAOYSA-N -1 3 299.330 2.345 20 10 CECDHM O=C(NC[C@H]1COc2ccccc2C1)c1cc([O-])cs1 ZINC000731871453 574604496 /nfs/dbraw/zinc/60/44/96/574604496.db2.gz LLNICFJGCWJOSX-JTQLQIEISA-N -1 3 289.356 2.435 20 10 CECDHM CNC(=O)c1cccc(NC(=O)c2cc([O-])cs2)c1C ZINC000731869407 574604853 /nfs/dbraw/zinc/60/48/53/574604853.db2.gz GYBWQOUXBDKJIX-UHFFFAOYSA-N -1 3 290.344 2.374 20 10 CECDHM CC1CCC(NC(=O)COC(=O)c2cc([O-])cs2)CC1 ZINC000731911016 574605714 /nfs/dbraw/zinc/60/57/14/574605714.db2.gz YPQSAIWJPZQOHN-UHFFFAOYSA-N -1 3 297.376 2.305 20 10 CECDHM Cc1nc(C)c(CCNC(=O)c2cc([O-])cs2)s1 ZINC000732290078 574618321 /nfs/dbraw/zinc/61/83/21/574618321.db2.gz HRDZOMOZNJBOFJ-UHFFFAOYSA-N -1 3 282.390 2.500 20 10 CECDHM O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1cc([O-])cs1 ZINC000732267366 574616533 /nfs/dbraw/zinc/61/65/33/574616533.db2.gz ZIZQGVLLIAURDE-LLVKDONJSA-N -1 3 290.344 2.362 20 10 CECDHM COc1ccc(N(C)C(=O)c2cc([O-])cs2)cn1 ZINC000732277020 574617239 /nfs/dbraw/zinc/61/72/39/574617239.db2.gz AYKPLODOKCYEGC-UHFFFAOYSA-N -1 3 264.306 2.134 20 10 CECDHM CC(C)OC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732289165 574618484 /nfs/dbraw/zinc/61/84/84/574618484.db2.gz DFEHSPHZNKTWFX-UHFFFAOYSA-N -1 3 269.366 2.483 20 10 CECDHM C[C@@H]1[C@H](C)SCCN1C(=O)c1cc([O-])cs1 ZINC000735703791 574764829 /nfs/dbraw/zinc/76/48/29/574764829.db2.gz LCPMQBCVHTZGOD-SFYZADRCSA-N -1 3 257.380 2.420 20 10 CECDHM CCOc1ccc([O-])c(C[NH2+]C(C)(C)CC(=O)[O-])c1 ZINC000737203175 574815965 /nfs/dbraw/zinc/81/59/65/574815965.db2.gz JXIQLIIMSJYIIL-UHFFFAOYSA-N -1 3 267.325 2.134 20 10 CECDHM CCOc1cccc(C[NH2+]C(C)(C)CC(=O)[O-])c1[O-] ZINC000737209647 574815934 /nfs/dbraw/zinc/81/59/34/574815934.db2.gz ADZKXMQRZKMJNY-UHFFFAOYSA-N -1 3 267.325 2.134 20 10 CECDHM CCc1cnc(CNC(=O)c2cc([O-])cs2)s1 ZINC000743738418 575109233 /nfs/dbraw/zinc/10/92/33/575109233.db2.gz HGIAFQHZVFGHGB-UHFFFAOYSA-N -1 3 268.363 2.403 20 10 CECDHM COC(=O)[C@H](CNC(=O)c1cc([O-])cs1)CC(C)C ZINC000743630236 575107789 /nfs/dbraw/zinc/10/77/89/575107789.db2.gz QICMELIVTOVUIO-VIFPVBQESA-N -1 3 285.365 2.019 20 10 CECDHM CN(C)c1cc(NC(=O)c2cc([O-])cs2)ccn1 ZINC000748509722 575188269 /nfs/dbraw/zinc/18/82/69/575188269.db2.gz HIOAWECTWZGVGC-UHFFFAOYSA-N -1 3 263.322 2.167 20 10 CECDHM COc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)c([O-])c1 ZINC000818591626 597136516 /nfs/dbraw/zinc/13/65/16/597136516.db2.gz SHSFMVGCIARIRV-UHFFFAOYSA-N -1 3 287.315 2.389 20 10 CECDHM CSCCCC(=O)NCc1c([O-])cccc1F ZINC000928704827 631126701 /nfs/dbraw/zinc/12/67/01/631126701.db2.gz FEDRQUHAGFUUTB-UHFFFAOYSA-N -1 3 257.330 2.291 20 10 CECDHM CCOC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000158387171 624537108 /nfs/dbraw/zinc/53/71/08/624537108.db2.gz UVOIOERYTHFHTO-UHFFFAOYSA-N -1 3 298.770 2.320 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CCN(CC2CC2)CC1 ZINC000893962568 629059152 /nfs/dbraw/zinc/05/91/52/629059152.db2.gz NHCYXEDEISBOHV-UHFFFAOYSA-N -1 3 282.334 2.198 20 10 CECDHM CCC(=O)N1CCCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893967146 629067185 /nfs/dbraw/zinc/06/71/85/629067185.db2.gz JFPCGKHFGGTTJI-UHFFFAOYSA-N -1 3 298.333 2.115 20 10 CECDHM CC[C@@H]1C(=O)NCCCN1Cc1cc(Cl)ccc1[O-] ZINC000898541798 632532030 /nfs/dbraw/zinc/53/20/30/632532030.db2.gz PIBUCFILIBMYDU-GFCCVEGCSA-N -1 3 282.771 2.146 20 10 CECDHM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[C@H]1O ZINC000816574987 633416083 /nfs/dbraw/zinc/41/60/83/633416083.db2.gz YQQODRUZYAVXDW-PRHODGIISA-N -1 3 273.735 2.387 20 10 CECDHM CN1CC2(CN(Cc3ccc4ccccc4c3[O-])C2)OC1=O ZINC000817414336 633653472 /nfs/dbraw/zinc/65/34/72/633653472.db2.gz HOEMINGQIIFUNU-UHFFFAOYSA-N -1 3 298.342 2.182 20 10 CECDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])cn2ccnc12 ZINC000818043413 633847688 /nfs/dbraw/zinc/84/76/88/633847688.db2.gz DGFLNYBLSNAPCP-UHFFFAOYSA-N -1 3 283.287 2.306 20 10 CECDHM CCC[C@@H]1C(=O)NCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000824895121 635518876 /nfs/dbraw/zinc/51/88/76/635518876.db2.gz QRYKZVNFVHVMKR-CYBMUJFWSA-N -1 3 296.798 2.455 20 10 CECDHM COC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC000825666438 635689128 /nfs/dbraw/zinc/68/91/28/635689128.db2.gz JVBXNHCXBXPVBV-CYBMUJFWSA-N -1 3 283.755 2.395 20 10 CECDHM O=C1OCCN1[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000827001039 636185649 /nfs/dbraw/zinc/18/56/49/636185649.db2.gz RONFDGVBVZTHRF-LLVKDONJSA-N -1 3 296.754 2.072 20 10 CECDHM COC(=O)[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876555692 650323980 /nfs/dbraw/zinc/32/39/80/650323980.db2.gz DCONNEKUYVXDDE-JTQLQIEISA-N -1 3 285.290 2.055 20 10 CECDHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccccc1[O-] ZINC000229240208 639685532 /nfs/dbraw/zinc/68/55/32/639685532.db2.gz WMYDXHOLOBUQMB-OSMZGAPFSA-N -1 3 261.321 2.077 20 10 CECDHM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccccc1[O-] ZINC000229240208 639685535 /nfs/dbraw/zinc/68/55/35/639685535.db2.gz WMYDXHOLOBUQMB-OSMZGAPFSA-N -1 3 261.321 2.077 20 10 CECDHM COc1ccccc1CN(C)C(=O)c1cccc(O)c1[O-] ZINC000126282047 650532058 /nfs/dbraw/zinc/53/20/58/650532058.db2.gz PIGANCYPXUHQEX-UHFFFAOYSA-N -1 3 287.315 2.379 20 10 CECDHM C[C@@H]1C(=O)N(C)CN1Cc1c([O-])ccc2ccccc21 ZINC000842639108 640130085 /nfs/dbraw/zinc/13/00/85/640130085.db2.gz CBYCGNZOCPPRQY-LLVKDONJSA-N -1 3 270.332 2.165 20 10 CECDHM C[C@H](O)CC(C)(C)CNC(=O)NCc1c([O-])cccc1F ZINC000920308570 641135441 /nfs/dbraw/zinc/13/54/41/641135441.db2.gz AIDAJBAYZHDGDX-JTQLQIEISA-N -1 3 298.358 2.128 20 10 CECDHM CO[C@@H](CNC(=O)NCc1c([O-])cccc1F)C(C)C ZINC000921048334 641223671 /nfs/dbraw/zinc/22/36/71/641223671.db2.gz LHHCAHWXTUJKMD-ZDUSSCGKSA-N -1 3 284.331 2.002 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCCS1 ZINC000921415867 641271182 /nfs/dbraw/zinc/27/11/82/641271182.db2.gz VTFUPPHAQNLVHN-SECBINFHSA-N -1 3 284.356 2.226 20 10 CECDHM NC(=O)CN(Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000180141954 641422482 /nfs/dbraw/zinc/42/24/82/641422482.db2.gz VKLLBPACFLXHGO-UHFFFAOYSA-N -1 3 288.322 2.019 20 10 CECDHM CCCc1cc(NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000126648372 650850582 /nfs/dbraw/zinc/85/05/82/650850582.db2.gz OBQZBNORISOFJD-UHFFFAOYSA-N -1 3 261.281 2.026 20 10 CECDHM CC(C)C1(O)CN(Cc2c([O-])cccc2Cl)C1 ZINC000839132945 644169441 /nfs/dbraw/zinc/16/94/41/644169441.db2.gz NUEVEOMNJNGZQB-UHFFFAOYSA-N -1 3 255.745 2.248 20 10 CECDHM Cc1ccc(C(=O)Nc2cnn(C)c2C2CC2)c([O-])c1O ZINC000771488227 646525352 /nfs/dbraw/zinc/52/53/52/646525352.db2.gz LBYQJLFHFOYBAH-UHFFFAOYSA-N -1 3 287.319 2.269 20 10 CECDHM CC[C@@H](NCc1ncn(C)n1)c1cc(Cl)ccc1[O-] ZINC000775526579 646962566 /nfs/dbraw/zinc/96/25/66/646962566.db2.gz SFVUMUDOPATPNR-LLVKDONJSA-N -1 3 280.759 2.415 20 10 CECDHM COC(=O)[C@H](NCc1cc(Cl)ccc1[O-])C1CC1 ZINC000789573820 648318375 /nfs/dbraw/zinc/31/83/75/648318375.db2.gz PXNPMRZSODWFNK-GFCCVEGCSA-N -1 3 269.728 2.087 20 10 CECDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])C1CCOCC1 ZINC000790827575 648454241 /nfs/dbraw/zinc/45/42/41/648454241.db2.gz UVLGULKIKFEDRI-GFCCVEGCSA-N -1 3 279.336 2.033 20 10 CECDHM Cc1noc([C@H](C)NCc2cc(F)ccc2[O-])n1 ZINC000792177101 648619564 /nfs/dbraw/zinc/61/95/64/648619564.db2.gz RXFXBRREXPVTKZ-ZETCQYMHSA-N -1 3 251.261 2.074 20 10 CECDHM Cc1ccncc1CN(C)C(=O)c1cccc(O)c1[O-] ZINC000794200242 648838718 /nfs/dbraw/zinc/83/87/18/648838718.db2.gz HRBNIJRKNJDJBH-UHFFFAOYSA-N -1 3 272.304 2.073 20 10 CECDHM CN(C)c1cccnc1CNCc1cc(F)cc(F)c1[O-] ZINC000883122516 652368663 /nfs/dbraw/zinc/36/86/63/652368663.db2.gz QNWISRIYWMZHFU-UHFFFAOYSA-N -1 3 293.317 2.421 20 10 CECDHM CC(=O)N(C)C1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140584631 803185750 /nfs/dbraw/zinc/18/57/50/803185750.db2.gz ZVDLOYWIGINYHM-UHFFFAOYSA-N -1 3 298.333 2.113 20 10 CECDHM [O-]c1ccc(F)c(Cl)c1CN1CCC[C@@H](O)C1 ZINC001237121052 808193999 /nfs/dbraw/zinc/19/39/99/808193999.db2.gz KBSQDKBOGSWNTC-MRVPVSSYSA-N -1 3 259.708 2.141 20 10 CECDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])CC(F)(F)F ZINC000397047227 813597516 /nfs/dbraw/zinc/59/75/16/813597516.db2.gz PZSDBAJIBBAYLB-ZETCQYMHSA-N -1 3 277.242 2.416 20 10 CECDHM O=C(Nc1ccccc1-c1nc[nH]n1)c1cccc(O)c1[O-] ZINC001148218749 814538554 /nfs/dbraw/zinc/53/85/54/814538554.db2.gz KBWUCGYUPVRLGC-UHFFFAOYSA-N -1 3 296.286 2.135 20 10 CECDHM O=C(Nc1ccc(C(F)F)cn1)c1cc(O)c([O-])c(O)c1 ZINC001148582218 814592211 /nfs/dbraw/zinc/59/22/11/814592211.db2.gz FYRFYASLXVZCRR-UHFFFAOYSA-N -1 3 296.229 2.388 20 10 CECDHM O=C(Nc1cc(O)cc(Cl)c1)c1cc(O)c([O-])c(O)c1 ZINC001148586676 814592448 /nfs/dbraw/zinc/59/24/48/814592448.db2.gz SUSMDHQAIZMNLK-UHFFFAOYSA-N -1 3 295.678 2.415 20 10 CECDHM O=C(NC[C@]12C[C@H]1CCCC2)c1cccc(O)c1[O-] ZINC000693583759 814625036 /nfs/dbraw/zinc/62/50/36/814625036.db2.gz YDGQBUJJLFFYKV-BMIGLBTASA-N -1 3 261.321 2.408 20 10 CECDHM COC(=O)C[C@@H]1CCCN1Cc1c(F)ccc(F)c1[O-] ZINC001139685951 816082147 /nfs/dbraw/zinc/08/21/47/816082147.db2.gz HCUBJRAQVWRHNF-VIFPVBQESA-N -1 3 285.290 2.198 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001140339793 816237732 /nfs/dbraw/zinc/23/77/32/816237732.db2.gz YKDYHIUEJJVANL-VZJVUDMVSA-N -1 3 297.782 2.017 20 10 CECDHM CCOC(=O)CCN(C)Cc1c([O-])cc(F)cc1F ZINC001140583614 816292829 /nfs/dbraw/zinc/29/28/29/816292829.db2.gz NYRLROZZODMBTC-UHFFFAOYSA-N -1 3 273.279 2.055 20 10 CECDHM CCOC(=O)[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524673 816678764 /nfs/dbraw/zinc/67/87/64/816678764.db2.gz GCXICCGHVLNFBL-VIFPVBQESA-N -1 3 285.290 2.055 20 10 CECDHM COC(=O)[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000123236566 365636210 /nfs/dbraw/zinc/63/62/10/365636210.db2.gz BLBFACVYZJUFHU-SNVBAGLBSA-N -1 3 283.755 2.431 20 10 CECDHM CCN1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000124502426 365652839 /nfs/dbraw/zinc/65/28/39/365652839.db2.gz NSDKRWOJUWYVIX-UHFFFAOYSA-N -1 3 254.761 2.183 20 10 CECDHM CN(Cc1cc(Cl)ccc1[O-])[C@H]1CCCCNC1=O ZINC000123894261 365642981 /nfs/dbraw/zinc/64/29/81/365642981.db2.gz IQNHRNGXEUZUEM-LBPRGKRZSA-N -1 3 282.771 2.146 20 10 CECDHM Cc1ccc([C@@H](C)N[C@H](C)c2nncn2C)c([O-])c1 ZINC000037016330 361883591 /nfs/dbraw/zinc/88/35/91/361883591.db2.gz XQLGGOPIOYJTTG-GHMZBOCLSA-N -1 3 260.341 2.241 20 10 CECDHM Cc1cc(Cl)cc(CN(C)CC(=O)NC2CC2)c1[O-] ZINC000179607021 368345251 /nfs/dbraw/zinc/34/52/51/368345251.db2.gz GVNAEWRAIJADFV-UHFFFAOYSA-N -1 3 282.771 2.064 20 10 CECDHM CCC[C@@]1(C)C(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC000189038208 369447143 /nfs/dbraw/zinc/44/71/43/369447143.db2.gz AYEZAVFSGNKBKM-HNNXBMFYSA-N -1 3 280.343 2.022 20 10 CECDHM Cc1ccc(C(=O)NCC(F)(F)C(F)F)c([O-])c1O ZINC000192024889 369765723 /nfs/dbraw/zinc/76/57/23/369765723.db2.gz LODNOHJAAJIIBU-UHFFFAOYSA-N -1 3 281.205 2.036 20 10 CECDHM C[C@@H]1c2cccn2CCN1C(=O)c1cccc(O)c1[O-] ZINC000192971013 369877363 /nfs/dbraw/zinc/87/73/63/369877363.db2.gz KVGMPSCCPUSZND-SNVBAGLBSA-N -1 3 272.304 2.116 20 10 CECDHM O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cccc(O)c1[O-] ZINC000193138265 369898560 /nfs/dbraw/zinc/89/85/60/369898560.db2.gz HGFLDTDVMMWBPT-LZWOXQAQSA-N -1 3 295.338 2.414 20 10 CECDHM COCC[C@@H]1CCCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000365769451 372928819 /nfs/dbraw/zinc/92/88/19/372928819.db2.gz UZSURFIGXJZITH-LBPRGKRZSA-N -1 3 293.363 2.377 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@H]2CCOC[C@@H]21 ZINC000366495798 373071445 /nfs/dbraw/zinc/07/14/45/373071445.db2.gz HLQVSQIXWPTQQA-JSGCOSHPSA-N -1 3 283.755 2.035 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000272214342 373364656 /nfs/dbraw/zinc/36/46/56/373364656.db2.gz AZXDYLMBUQEZTF-CMPLNLGQSA-N -1 3 293.260 2.419 20 10 CECDHM CCNC(=O)[C@@H](C)N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000273407106 373755603 /nfs/dbraw/zinc/75/56/03/373755603.db2.gz ORFPYTFZRLAYES-RKDXNWHRSA-N -1 3 270.760 2.221 20 10 CECDHM COC(=O)[C@@H](C)CN(C)Cc1c([O-])cccc1Cl ZINC000120610682 394781398 /nfs/dbraw/zinc/78/13/98/394781398.db2.gz HBXGOIGTMBVYJI-VIFPVBQESA-N -1 3 271.744 2.287 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]3OCC[C@H]32)c1[O-] ZINC000373603743 395063526 /nfs/dbraw/zinc/06/35/26/395063526.db2.gz LDALWVIDDVAKIC-HUUCEWRRSA-N -1 3 293.338 2.487 20 10 CECDHM Cc1ccc(C(=O)N(C)C2CCC(CO)CC2)c([O-])c1O ZINC000182604057 395245727 /nfs/dbraw/zinc/24/57/27/395245727.db2.gz CPXUOIZOUFJBRY-UHFFFAOYSA-N -1 3 293.363 2.029 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)c([O-])c1O ZINC000183002844 395249633 /nfs/dbraw/zinc/24/96/33/395249633.db2.gz XJLZSUIYQFJVFT-LLVKDONJSA-N -1 3 293.363 2.482 20 10 CECDHM COC[C@H](C)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179368086 395192326 /nfs/dbraw/zinc/19/23/26/395192326.db2.gz WBKQTZAFUPJABD-QMMMGPOBSA-N -1 3 288.731 2.421 20 10 CECDHM Cc1ccc(C(=O)N(C[C@@H]2CCOC2)C2CC2)c([O-])c1O ZINC000179454974 395193395 /nfs/dbraw/zinc/19/33/95/395193395.db2.gz OSCHYEOXHOGNOT-NSHDSACASA-N -1 3 291.347 2.047 20 10 CECDHM Cc1ccc(C(=O)N(C[C@H]2CCOC2)C2CC2)c([O-])c1O ZINC000179454984 395194101 /nfs/dbraw/zinc/19/41/01/395194101.db2.gz OSCHYEOXHOGNOT-LLVKDONJSA-N -1 3 291.347 2.047 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CCCN(C)CC2)c1[O-] ZINC000037322870 260088216 /nfs/dbraw/zinc/08/82/16/260088216.db2.gz LUIJLOWTDRCMAR-UHFFFAOYSA-N -1 3 296.798 2.386 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000377709677 329026193 /nfs/dbraw/zinc/02/61/93/329026193.db2.gz ZGDGDKWTMBQIAX-ZFWWWQNUSA-N -1 3 297.782 2.425 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCC[C@](F)(CO)C1 ZINC000377707701 329026477 /nfs/dbraw/zinc/02/64/77/329026477.db2.gz XCKGCFRBVOXGAC-CYBMUJFWSA-N -1 3 273.735 2.342 20 10 CECDHM CCCC(=O)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000378491656 329052478 /nfs/dbraw/zinc/05/24/78/329052478.db2.gz FQEJHENDJARQHP-UHFFFAOYSA-N -1 3 294.370 2.366 20 10 CECDHM Cc1ccc(C(=O)N2CCCC23CCOCC3)c([O-])c1O ZINC000378570620 329055244 /nfs/dbraw/zinc/05/52/44/329055244.db2.gz SRSFTMDRPCRTGN-UHFFFAOYSA-N -1 3 291.347 2.191 20 10 CECDHM CC[C@@H](NCc1cnnn1CC)c1ccc(F)cc1[O-] ZINC000527915754 330295192 /nfs/dbraw/zinc/29/51/92/330295192.db2.gz MSBLNYNGEXADCH-CYBMUJFWSA-N -1 3 278.331 2.384 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)c2ccn(C)n2)c1[O-] ZINC000274841411 518284156 /nfs/dbraw/zinc/28/41/56/518284156.db2.gz MGZPTMXSZAYKSO-UHFFFAOYSA-N -1 3 277.299 2.104 20 10 CECDHM CC[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@@H](C)[S@]1=O ZINC000289678372 523450251 /nfs/dbraw/zinc/45/02/51/523450251.db2.gz NVPUNPQTVMJWEV-FTNGCUSPSA-N -1 3 285.384 2.263 20 10 CECDHM C[C@H](CCO)C1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000279686107 524199291 /nfs/dbraw/zinc/19/92/91/524199291.db2.gz BDNAXXFQLUIBBY-LLVKDONJSA-N -1 3 293.363 2.016 20 10 CECDHM C[C@@H](c1nc(N)nc(Cl)n1)N(C)Cc1ccccc1[O-] ZINC000289482996 526169917 /nfs/dbraw/zinc/16/99/17/526169917.db2.gz BUDQKIBVMKUNPX-QMMMGPOBSA-N -1 3 293.758 2.006 20 10 CECDHM Cc1ccc(C(=O)NC[C@@H]2CCCSC2)c([O-])c1O ZINC000292190420 526174834 /nfs/dbraw/zinc/17/48/34/526174834.db2.gz FYDJNCLSAMLYGT-JTQLQIEISA-N -1 3 281.377 2.279 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCOC2(CCCCC2)C1 ZINC000279259643 526772386 /nfs/dbraw/zinc/77/23/86/526772386.db2.gz JDXFXNLKBZBZQI-UHFFFAOYSA-N -1 3 291.347 2.273 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCC(F)(F)[C@H](CO)C1 ZINC000291272370 527595273 /nfs/dbraw/zinc/59/52/73/527595273.db2.gz NWZDAGSNKHUFKO-VIFPVBQESA-N -1 3 291.725 2.495 20 10 CECDHM O=[N+]([O-])c1ccc([O-])c(CNCc2cnn3ccccc23)c1 ZINC000729679575 574490482 /nfs/dbraw/zinc/49/04/82/574490482.db2.gz JUECXDYWSIBTNN-UHFFFAOYSA-N -1 3 298.302 2.238 20 10 CECDHM COc1ccc(NC(=O)c2cc([O-])cs2)cn1 ZINC000731861502 574604010 /nfs/dbraw/zinc/60/40/10/574604010.db2.gz DKRYCAAZMCSYCA-UHFFFAOYSA-N -1 3 250.279 2.110 20 10 CECDHM CCCCOCCCNC(=O)c1cc([O-])cs1 ZINC000731865257 574604146 /nfs/dbraw/zinc/60/41/46/574604146.db2.gz MMUADHZNDQPEKK-UHFFFAOYSA-N -1 3 257.355 2.390 20 10 CECDHM O=C(Nn1cnc2ccccc21)c1cc([O-])cs1 ZINC000731865444 574604265 /nfs/dbraw/zinc/60/42/65/574604265.db2.gz KAYVBWVCVGWAOK-UHFFFAOYSA-N -1 3 259.290 2.187 20 10 CECDHM COc1cc(CNC(=O)c2cc([O-])cs2)ccc1O ZINC000731869610 574604435 /nfs/dbraw/zinc/60/44/35/574604435.db2.gz SVMNWMWYEDJVMW-UHFFFAOYSA-N -1 3 279.317 2.098 20 10 CECDHM CN(C(=O)COC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731910737 574605612 /nfs/dbraw/zinc/60/56/12/574605612.db2.gz BKDGFKNLLNLWFC-UHFFFAOYSA-N -1 3 291.328 2.274 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000732278110 574617347 /nfs/dbraw/zinc/61/73/47/574617347.db2.gz XVEJMHJHAWFSNU-VIFPVBQESA-N -1 3 277.349 2.197 20 10 CECDHM Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)cc1C ZINC000738464035 574864717 /nfs/dbraw/zinc/86/47/17/574864717.db2.gz XRBAXAITTVTPRO-LBPRGKRZSA-N -1 3 263.337 2.306 20 10 CECDHM Cc1cc([O-])c(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1C ZINC000738464035 574864718 /nfs/dbraw/zinc/86/47/18/574864718.db2.gz XRBAXAITTVTPRO-LBPRGKRZSA-N -1 3 263.337 2.306 20 10 CECDHM CCC(CC)(CNC(=O)[O-])[NH2+]Cc1cccc(OC)c1[O-] ZINC000739255188 574903603 /nfs/dbraw/zinc/90/36/03/574903603.db2.gz XQFMTBWNISPMEL-UHFFFAOYSA-N -1 3 296.367 2.317 20 10 CECDHM CC[C@@H](NC(=O)c1cc([O-])cs1)C1CCOCC1 ZINC000746409850 575155696 /nfs/dbraw/zinc/15/56/96/575155696.db2.gz PGRAXECRVYRFCS-LLVKDONJSA-N -1 3 269.366 2.389 20 10 CECDHM Cc1ccc(C(=O)Nc2ncccc2C)c([O-])c1O ZINC000751530923 575291353 /nfs/dbraw/zinc/29/13/53/575291353.db2.gz WFXUETSGSHMSAI-UHFFFAOYSA-N -1 3 258.277 2.362 20 10 CECDHM Cc1cc(O)c(CN2CC[C@](F)(C(=O)[O-])C2)cc1C ZINC000832897994 601372373 /nfs/dbraw/zinc/37/23/73/601372373.db2.gz AKLNVZSHVCLECD-CQSZACIVSA-N -1 3 267.300 2.008 20 10 CECDHM CCOC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000313490719 628610038 /nfs/dbraw/zinc/61/00/38/628610038.db2.gz YZFRCBYINRQAES-NSHDSACASA-N -1 3 279.336 2.129 20 10 CECDHM CN(Cc1cc(F)ccc1[O-])[C@H]1CC(C)(C)OC1=O ZINC000814179794 629210626 /nfs/dbraw/zinc/21/06/26/629210626.db2.gz YTQRJAPZALYETI-NSHDSACASA-N -1 3 267.300 2.057 20 10 CECDHM C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(F)cc(F)c1[O-] ZINC000894482279 629481454 /nfs/dbraw/zinc/48/14/54/629481454.db2.gz BJVQHGVLABQZIC-VHSXEESVSA-N -1 3 270.323 2.195 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CCC(C2(O)CC2)CC1 ZINC000895133768 629942802 /nfs/dbraw/zinc/94/28/02/629942802.db2.gz PABJLTMVHPZASQ-UHFFFAOYSA-N -1 3 283.318 2.407 20 10 CECDHM COc1c([O-])c(CN2CCC(F)CC2)ccc1[N+](=O)[O-] ZINC000895547085 630238831 /nfs/dbraw/zinc/23/88/31/630238831.db2.gz KWIYZVYLPPOXBR-UHFFFAOYSA-N -1 3 284.287 2.243 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCc2ncncc2C1 ZINC000895722578 630315568 /nfs/dbraw/zinc/31/55/68/630315568.db2.gz JSHQRINXJMXFMR-UHFFFAOYSA-N -1 3 275.739 2.394 20 10 CECDHM CCc1nocc1CNCc1c([O-])cccc1F ZINC000896636286 630620255 /nfs/dbraw/zinc/62/02/55/630620255.db2.gz AAYIRWFFZYUILQ-UHFFFAOYSA-N -1 3 250.273 2.372 20 10 CECDHM O=C(NC[C@H](CO)CC1CCCC1)c1cccc(O)c1[O-] ZINC000799052728 630965992 /nfs/dbraw/zinc/96/59/92/630965992.db2.gz JIJAHFZAPDEPJN-GFCCVEGCSA-N -1 3 293.363 2.016 20 10 CECDHM O=C([O-])N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C12CCC2 ZINC000904211985 635520875 /nfs/dbraw/zinc/52/08/75/635520875.db2.gz ADWOOVSVIUBHSL-OLZOCXBDSA-N -1 3 276.336 2.061 20 10 CECDHM CCCn1ccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000897540359 631726689 /nfs/dbraw/zinc/72/66/89/631726689.db2.gz QAQQDDUKKANEEV-UHFFFAOYSA-N -1 3 274.320 2.239 20 10 CECDHM COC(=O)[C@H]1[C@@H]2CN(Cc3c([O-])ccc(Cl)c3F)C[C@@H]21 ZINC000814173629 632799408 /nfs/dbraw/zinc/79/94/08/632799408.db2.gz UDIPKJMMHZOGKZ-JDICNCQASA-N -1 3 299.729 2.036 20 10 CECDHM Cc1ccc(C(=O)N2C[C@@H](CO)c3ccccc32)c([O-])c1O ZINC000817796481 633742820 /nfs/dbraw/zinc/74/28/20/633742820.db2.gz MVCNPJVNKFNINQ-NSHDSACASA-N -1 3 299.326 2.143 20 10 CECDHM CCn1nc(C)c(CNCc2cc(Cl)c(F)cc2[O-])n1 ZINC000822494888 634931375 /nfs/dbraw/zinc/93/13/75/634931375.db2.gz XFJZKWMEQSXADG-UHFFFAOYSA-N -1 3 298.749 2.394 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@]2(CCSC2)C1 ZINC000837100490 639047482 /nfs/dbraw/zinc/04/74/82/639047482.db2.gz WPZXMPTXCNXEEW-OAHLLOKOSA-N -1 3 293.388 2.457 20 10 CECDHM Cc1csc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000126234717 650478975 /nfs/dbraw/zinc/47/89/75/650478975.db2.gz OXHHCFQTUDYAKW-UHFFFAOYSA-N -1 3 250.279 2.115 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](O)[C@H](C)C2)c1[O-] ZINC000166462204 639466046 /nfs/dbraw/zinc/46/60/46/639466046.db2.gz VTBQXRCTSKGYLT-OTYXRUKQSA-N -1 3 297.782 2.451 20 10 CECDHM CN(Cc1ccsc1)C(=O)c1cccc(O)c1[O-] ZINC000126255429 650506246 /nfs/dbraw/zinc/50/62/46/650506246.db2.gz PVJFPUVEHBOUAX-UHFFFAOYSA-N -1 3 263.318 2.432 20 10 CECDHM O=C(NCCOC1CCCC1)NCc1c([O-])cccc1F ZINC000914258528 640290152 /nfs/dbraw/zinc/29/01/52/640290152.db2.gz XXRJGWZQMGLJOK-UHFFFAOYSA-N -1 3 296.342 2.290 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1[C@H]1CCCOC1 ZINC000843929501 640558134 /nfs/dbraw/zinc/55/81/34/640558134.db2.gz VKNMBCOYEVQIPM-AAEUAGOBSA-N -1 3 291.347 2.129 20 10 CECDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])s1 ZINC000126372448 650604529 /nfs/dbraw/zinc/60/45/29/650604529.db2.gz QKISTCLPAQPHHW-UHFFFAOYSA-N -1 3 263.318 2.398 20 10 CECDHM CO[C@H](CNC(=O)NCc1c([O-])cccc1F)C(C)C ZINC000921048333 641223531 /nfs/dbraw/zinc/22/35/31/641223531.db2.gz LHHCAHWXTUJKMD-CYBMUJFWSA-N -1 3 284.331 2.002 20 10 CECDHM Cc1ccc(C(=O)Nc2cccc(O)c2)c([O-])c1O ZINC000181765207 641589720 /nfs/dbraw/zinc/58/97/20/641589720.db2.gz HBZCXGOCPOYMFP-UHFFFAOYSA-N -1 3 259.261 2.364 20 10 CECDHM CCOc1ncccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000181959239 641611975 /nfs/dbraw/zinc/61/19/75/641611975.db2.gz IWSODICCJOCRDM-UHFFFAOYSA-N -1 3 288.303 2.452 20 10 CECDHM COc1ccc(N(C)C(=O)c2ccc(C)c(O)c2[O-])cn1 ZINC000182235088 641636029 /nfs/dbraw/zinc/63/60/29/641636029.db2.gz ZAPZDXJOFUASQH-UHFFFAOYSA-N -1 3 288.303 2.086 20 10 CECDHM Nc1ccc(CC(=O)[N-]OCc2ccccc2)cc1 ZINC000070286733 641653864 /nfs/dbraw/zinc/65/38/64/641653864.db2.gz NUUCTJWCBUGSPR-UHFFFAOYSA-N -1 3 256.305 2.059 20 10 CECDHM Cc1ccc(C(=O)Nc2cnn(CC3CC3)c2)c([O-])c1O ZINC000182530878 641669803 /nfs/dbraw/zinc/66/98/03/641669803.db2.gz WYWAXIJTRAJPFC-UHFFFAOYSA-N -1 3 287.319 2.265 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCOc2cc(F)ccc21 ZINC000185688018 642016562 /nfs/dbraw/zinc/01/65/62/642016562.db2.gz MPTZNBJBNSCGQD-UHFFFAOYSA-N -1 3 289.262 2.276 20 10 CECDHM COc1cc(Cl)cc(C[N@H+](CC(=O)[O-])C2CCC2)c1[O-] ZINC000848640349 642085945 /nfs/dbraw/zinc/08/59/45/642085945.db2.gz QKYDEIRFWNUEKM-UHFFFAOYSA-N -1 3 299.754 2.493 20 10 CECDHM COc1cc(Cl)cc(C[N@@H+](CC(=O)[O-])C2CCC2)c1[O-] ZINC000848640349 642085951 /nfs/dbraw/zinc/08/59/51/642085951.db2.gz QKYDEIRFWNUEKM-UHFFFAOYSA-N -1 3 299.754 2.493 20 10 CECDHM CC[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@@H]1CCCO1 ZINC000921647455 642384446 /nfs/dbraw/zinc/38/44/46/642384446.db2.gz CWGBKPCXLIPQRC-OCCSQVGLSA-N -1 3 296.342 2.288 20 10 CECDHM [O-]c1c(CNCc2cnc3n2CCCC3)ccc(F)c1F ZINC000877507419 650756079 /nfs/dbraw/zinc/75/60/79/650756079.db2.gz DYLDBRLTPFFFBU-UHFFFAOYSA-N -1 3 293.317 2.493 20 10 CECDHM C[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1ccc(F)cc1[O-] ZINC000850499709 642732904 /nfs/dbraw/zinc/73/29/04/642732904.db2.gz VUHAXVKXIJVWJF-AUTRQRHGSA-N -1 3 276.315 2.479 20 10 CECDHM [O-]c1ccc(Cl)c(F)c1CNCC1OCCCO1 ZINC000922278492 642996722 /nfs/dbraw/zinc/99/67/22/642996722.db2.gz AIZCVLJZUZCDQU-UHFFFAOYSA-N -1 3 275.707 2.037 20 10 CECDHM CO[C@@H](CNC(=O)NCc1c([O-])cccc1F)CC(C)C ZINC000922914035 643447565 /nfs/dbraw/zinc/44/75/65/643447565.db2.gz BNJXOFQXSBUHTQ-LLVKDONJSA-N -1 3 298.358 2.392 20 10 CECDHM CC[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000922933976 643462800 /nfs/dbraw/zinc/46/28/00/643462800.db2.gz MLIFAKOOXFKZMP-MNOVXSKESA-N -1 3 296.342 2.288 20 10 CECDHM O=C(NCC[C@@H]1CCSC1)NCc1c([O-])cccc1F ZINC000923509960 643745412 /nfs/dbraw/zinc/74/54/12/643745412.db2.gz RIFHRRBQVXLGRW-SNVBAGLBSA-N -1 3 298.383 2.474 20 10 CECDHM CCc1noc(C)c1NC(=O)c1cccc(O)c1[O-] ZINC000187205411 643777465 /nfs/dbraw/zinc/77/74/65/643777465.db2.gz MIEFFVGUFSFBMC-UHFFFAOYSA-N -1 3 262.265 2.209 20 10 CECDHM CO[N-]C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000858299957 645110276 /nfs/dbraw/zinc/11/02/76/645110276.db2.gz GHMYCICNDNZMQS-UHFFFAOYSA-N -1 3 286.331 2.127 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)N(C)C[C@H]2C)c1[O-] ZINC000768762652 646158705 /nfs/dbraw/zinc/15/87/05/646158705.db2.gz FDJCPGBKPWYUIV-GHMZBOCLSA-N -1 3 294.370 2.258 20 10 CECDHM Cc1ccc(O)c(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000862755085 646556643 /nfs/dbraw/zinc/55/66/43/646556643.db2.gz CBWAWQMBLSECBN-UHFFFAOYSA-N -1 3 299.330 2.004 20 10 CECDHM CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c([O-])c1 ZINC000863740559 646803319 /nfs/dbraw/zinc/80/33/19/646803319.db2.gz XREQEGMGYBCZHH-BXUZGUMPSA-N -1 3 293.363 2.334 20 10 CECDHM CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c([O-])c1 ZINC000863740559 646803321 /nfs/dbraw/zinc/80/33/21/646803321.db2.gz XREQEGMGYBCZHH-BXUZGUMPSA-N -1 3 293.363 2.334 20 10 CECDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H](CO)C1 ZINC000775634043 646974363 /nfs/dbraw/zinc/97/43/63/646974363.db2.gz NZKFMDLVPZTAMB-SECBINFHSA-N -1 3 273.735 2.389 20 10 CECDHM CO[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775702286 646982729 /nfs/dbraw/zinc/98/27/29/646982729.db2.gz NLKMLUOZKVJBPG-SNVBAGLBSA-N -1 3 259.708 2.405 20 10 CECDHM [O-]c1c(F)cc(Cl)cc1CN1CCc2cn[nH]c2C1 ZINC000775712266 646983705 /nfs/dbraw/zinc/98/37/05/646983705.db2.gz FYAHCDIDZZFLRB-UHFFFAOYSA-N -1 3 281.718 2.466 20 10 CECDHM CC(C)C[C@@]1(CO)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000789874530 648350845 /nfs/dbraw/zinc/35/08/45/648350845.db2.gz LBMHJMQBQGACSZ-MRXNPFEDSA-N -1 3 293.363 2.111 20 10 CECDHM O=C(NCCOc1ccc(F)cc1)c1cccc(O)c1[O-] ZINC000790527633 648427358 /nfs/dbraw/zinc/42/73/58/648427358.db2.gz IEQWKUCOFWPYLU-UHFFFAOYSA-N -1 3 291.278 2.046 20 10 CECDHM Cc1ccncc1[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000790912147 648460334 /nfs/dbraw/zinc/46/03/34/648460334.db2.gz NTYIQDVXMZZKAI-JTQLQIEISA-N -1 3 272.304 2.292 20 10 CECDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](C)S1=O ZINC000792191973 648622286 /nfs/dbraw/zinc/62/22/86/648622286.db2.gz GYAJGRXKHQECDZ-UWVGGRQHSA-N -1 3 287.812 2.387 20 10 CECDHM Cc1cc([O-])c(CN2C[C@@H]3C[C@H]2CO3)cc1Br ZINC001237677649 808238537 /nfs/dbraw/zinc/23/85/37/808238537.db2.gz ABZXLPKHPYHCNZ-QWRGUYRKSA-N -1 3 298.180 2.436 20 10 CECDHM O=C(NCCC1(F)CCC1)c1cccc(O)c1[O-] ZINC000702471776 809559571 /nfs/dbraw/zinc/55/95/71/809559571.db2.gz PMVLBLXZZFTKRV-UHFFFAOYSA-N -1 3 253.273 2.110 20 10 CECDHM CO[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000703586114 809667049 /nfs/dbraw/zinc/66/70/49/809667049.db2.gz OBPQHMHHBSDPOM-SNVBAGLBSA-N -1 3 257.280 2.281 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](O)C[C@@H]2C)c1[O-] ZINC000384957723 813126417 /nfs/dbraw/zinc/12/64/17/813126417.db2.gz RCWKPYKVBCRYOH-QPUJVOFHSA-N -1 3 283.755 2.203 20 10 CECDHM CC(C)Cc1nnc(-c2cc(O)c([O-])c(O)c2)o1 ZINC001256412134 814385524 /nfs/dbraw/zinc/38/55/24/814385524.db2.gz DRIOUXLFCYCLOO-UHFFFAOYSA-N -1 3 250.254 2.052 20 10 CECDHM O=C(Nc1c[nH]c2cccnc12)c1cccc(O)c1[O-] ZINC001148211870 814536384 /nfs/dbraw/zinc/53/63/84/814536384.db2.gz AFOPNUDRWVMSRE-UHFFFAOYSA-N -1 3 269.260 2.226 20 10 CECDHM O=C(N[C@H]1CCCC(F)(F)C1)c1cc(O)c([O-])c(O)c1 ZINC001148589599 814592085 /nfs/dbraw/zinc/59/20/85/814592085.db2.gz DIDILNXDYNUKGR-QMMMGPOBSA-N -1 3 287.262 2.111 20 10 CECDHM COC[C@H]1CCCN1Cc1c(F)ccc(F)c1[O-] ZINC001139683189 814730239 /nfs/dbraw/zinc/73/02/39/814730239.db2.gz BBWVDAMQUPJCSN-SECBINFHSA-N -1 3 257.280 2.281 20 10 CECDHM CN(Cc1c(F)ccc(F)c1[O-])[C@@H]1CCCOC1 ZINC001139690692 816085490 /nfs/dbraw/zinc/08/54/90/816085490.db2.gz ZRVVSINFTZRPJK-SECBINFHSA-N -1 3 257.280 2.281 20 10 CECDHM O=C1CN(Cc2c([O-])cccc2Cl)CC2(CCCC2)N1 ZINC001140342794 816236988 /nfs/dbraw/zinc/23/69/88/816236988.db2.gz YTMFIHJLJNLWGX-UHFFFAOYSA-N -1 3 294.782 2.290 20 10 CECDHM CN(Cc1cncnc1)Cc1c([O-])cccc1Cl ZINC001140342255 816237849 /nfs/dbraw/zinc/23/78/49/816237849.db2.gz AGHTWOBNPUOQAV-UHFFFAOYSA-N -1 3 263.728 2.468 20 10 CECDHM CCC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461691 816260218 /nfs/dbraw/zinc/26/02/18/816260218.db2.gz QXTTWOXUKIRXTM-UHFFFAOYSA-N -1 3 282.771 2.100 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@](F)(CO)CC1 ZINC001140582652 816290222 /nfs/dbraw/zinc/29/02/22/816290222.db2.gz LQYQZKBFRIBUSZ-CQSZACIVSA-N -1 3 289.297 2.357 20 10 CECDHM C[C@@H]1CN(Cc2c([O-])cc(F)cc2F)C[C@H](C)N1C ZINC001140583231 816291597 /nfs/dbraw/zinc/29/15/97/816291597.db2.gz ACCHNIKYOZGNOG-AOOOYVTPSA-N -1 3 270.323 2.195 20 10 CECDHM CCC1(O)CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140583470 816293519 /nfs/dbraw/zinc/29/35/19/816293519.db2.gz ICMWHLVQWNROTN-UHFFFAOYSA-N -1 3 271.307 2.407 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CC2(C1)CCCOC2 ZINC001142508540 816677409 /nfs/dbraw/zinc/67/74/09/816677409.db2.gz CKDZZQWNQZELEW-UHFFFAOYSA-N -1 3 269.291 2.283 20 10 CECDHM CCC(=O)N[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531250 816680821 /nfs/dbraw/zinc/68/08/21/816680821.db2.gz QAURVDOFDDJUHP-LLVKDONJSA-N -1 3 298.333 2.161 20 10 CECDHM CC(=O)[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531480 816682601 /nfs/dbraw/zinc/68/26/01/816682601.db2.gz YOQRBJXUTJZCSK-SECBINFHSA-N -1 3 255.264 2.081 20 10 CECDHM Cc1ccc2nc(C(=O)NCc3c([O-])cccc3F)cn2c1 ZINC001178413343 816743277 /nfs/dbraw/zinc/74/32/77/816743277.db2.gz QVRIMIVKADKIES-UHFFFAOYSA-N -1 3 299.305 2.417 20 10 CECDHM C[C@H]1SCCN(C(=O)c2cccc(O)c2[O-])[C@@H]1C ZINC000126564904 344324832 /nfs/dbraw/zinc/32/48/32/344324832.db2.gz ZDEPKSJRAPYXFR-RKDXNWHRSA-N -1 3 267.350 2.064 20 10 CECDHM O=C1NCCC[C@@H]1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000050394428 362418842 /nfs/dbraw/zinc/41/88/42/362418842.db2.gz LZOJVOJGDNYVEQ-JTQLQIEISA-N -1 3 289.162 2.067 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN(C)C[C@@H](C)O)c1[O-] ZINC000051822183 362441119 /nfs/dbraw/zinc/44/11/19/362441119.db2.gz AXJYQAFYFWRKFQ-MRVPVSSYSA-N -1 3 271.744 2.061 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCC[C@H](CO)C1 ZINC000154597425 366780298 /nfs/dbraw/zinc/78/02/98/366780298.db2.gz ADIQKCAZCFJNSG-JTQLQIEISA-N -1 3 255.745 2.250 20 10 CECDHM C[C@@H](CN(C)C(=O)c1cccc(O)c1[O-])c1nccs1 ZINC000193161868 369900717 /nfs/dbraw/zinc/90/07/17/369900717.db2.gz TZWLWPAOSYDKAD-VIFPVBQESA-N -1 3 292.360 2.430 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](O)c2ccccc2C1 ZINC000369144282 373343552 /nfs/dbraw/zinc/34/35/52/373343552.db2.gz OCGCSLOQAMJDNO-CQSZACIVSA-N -1 3 299.326 2.177 20 10 CECDHM Cc1ccc(C(=O)N2CCC[C@]2(C)CCCO)c([O-])c1O ZINC000273347338 373751014 /nfs/dbraw/zinc/75/10/14/373751014.db2.gz SDGDCKABDGNMKT-MRXNPFEDSA-N -1 3 293.363 2.173 20 10 CECDHM C[C@@H](N[C@@H](C)c1cc(F)ccc1[O-])c1ncn(C)n1 ZINC000275774200 374221163 /nfs/dbraw/zinc/22/11/63/374221163.db2.gz VFFSEGNROMTZHP-DTWKUNHWSA-N -1 3 264.304 2.072 20 10 CECDHM COc1c([O-])c(CN2CCC=C(C)C2)ccc1[N+](=O)[O-] ZINC000281685164 375391883 /nfs/dbraw/zinc/39/18/83/375391883.db2.gz BAQHYHMSQOVWHE-UHFFFAOYSA-N -1 3 278.308 2.461 20 10 CECDHM C[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@@H]1CO ZINC000294776918 378018641 /nfs/dbraw/zinc/01/86/41/378018641.db2.gz UDLXFKWUZKPUGS-QPUJVOFHSA-N -1 3 273.735 2.387 20 10 CECDHM COC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000184677135 262026184 /nfs/dbraw/zinc/02/61/84/262026184.db2.gz ICSANPPJAMARJO-NSHDSACASA-N -1 3 299.754 2.192 20 10 CECDHM CC[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1O ZINC000294148592 265000450 /nfs/dbraw/zinc/00/04/50/265000450.db2.gz HWRJLWMOYKWSPW-SDBXPKJASA-N -1 3 273.735 2.387 20 10 CECDHM Cn1ncc(Br)c1CNCc1ccccc1[O-] ZINC000278538952 327175025 /nfs/dbraw/zinc/17/50/25/327175025.db2.gz SWNHXWIFKOXPIE-UHFFFAOYSA-N -1 3 296.168 2.178 20 10 CECDHM COC(=O)[C@H]1CCCCCN1Cc1ccccc1[O-] ZINC000360020602 329070077 /nfs/dbraw/zinc/07/00/77/329070077.db2.gz VBBUSTCZADCLRS-CYBMUJFWSA-N -1 3 263.337 2.310 20 10 CECDHM O=C1OCC[C@]12CCCN2Cc1cc(Cl)ccc1[O-] ZINC000190041558 329392056 /nfs/dbraw/zinc/39/20/56/329392056.db2.gz YQJAWSBKJNDSLQ-CQSZACIVSA-N -1 3 281.739 2.327 20 10 CECDHM CCn1ncc(CN[C@H]2C[C@@H](C)c3c2c([O-])ccc3F)n1 ZINC000527922431 330295948 /nfs/dbraw/zinc/29/59/48/330295948.db2.gz GIGFOFMCJJMEQM-SKDRFNHKSA-N -1 3 290.342 2.481 20 10 CECDHM Cc1ccc(C(=O)N2CC(Cc3ccco3)C2)c([O-])c1O ZINC000529862374 333511815 /nfs/dbraw/zinc/51/18/15/333511815.db2.gz OSYPVPIBXLNKAG-UHFFFAOYSA-N -1 3 287.315 2.314 20 10 CECDHM CC(C)C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000279800893 519418676 /nfs/dbraw/zinc/41/86/76/519418676.db2.gz JSRXZQFCXUNGMN-RYUDHWBXSA-N -1 3 293.363 2.421 20 10 CECDHM CCCOc1ccc(CN[C@H](C)c2ncn(C)n2)c([O-])c1 ZINC000275389852 520374740 /nfs/dbraw/zinc/37/47/40/520374740.db2.gz ASLMEZMWLFPQNJ-LLVKDONJSA-N -1 3 290.367 2.160 20 10 CECDHM COC[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C)O1 ZINC000275876568 522508533 /nfs/dbraw/zinc/50/85/33/522508533.db2.gz ATGVBTCDJBRBAD-MNOVXSKESA-N -1 3 285.771 2.281 20 10 CECDHM CC[C@H](NCc1nnc2n1CCC2)c1ccc(C)cc1[O-] ZINC000280274379 522673119 /nfs/dbraw/zinc/67/31/19/522673119.db2.gz YBQXWSZLMSXMTD-ZDUSSCGKSA-N -1 3 286.379 2.479 20 10 CECDHM CC[C@@H](NCc1ncn(C)n1)c1ccc(C)cc1[O-] ZINC000280269150 522896512 /nfs/dbraw/zinc/89/65/12/522896512.db2.gz XTQQBYSEMVMVCG-GFCCVEGCSA-N -1 3 260.341 2.070 20 10 CECDHM CC[C@@H]1CN(Cc2ccccc2[O-])C[C@H](C)[S@@]1=O ZINC000289586373 523456888 /nfs/dbraw/zinc/45/68/88/523456888.db2.gz KFAVSSOQVPJPMO-WHWRDJHUSA-N -1 3 267.394 2.124 20 10 CECDHM Cc1cccnc1C1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000366061264 525504419 /nfs/dbraw/zinc/50/44/19/525504419.db2.gz ODCBSSKUAIQJQN-UHFFFAOYSA-N -1 3 298.342 2.263 20 10 CECDHM Cc1ccc(C(=O)N[C@H](C2CC2)C(F)(F)F)c([O-])c1O ZINC000291719905 526210508 /nfs/dbraw/zinc/21/05/08/526210508.db2.gz HEIYYZQMSBSZME-LLVKDONJSA-N -1 3 289.253 2.477 20 10 CECDHM CN(C)c1cc(F)c(C=C2SC(=O)[N-]C2=O)cc1F ZINC000874929909 649871508 /nfs/dbraw/zinc/87/15/08/649871508.db2.gz SNWXSFLBXWGAJP-WMZJFQQLSA-N -1 3 284.287 2.355 20 10 CECDHM CCC[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732352690 574619563 /nfs/dbraw/zinc/61/95/63/574619563.db2.gz CDVIXKYXDPQIRC-BDAKNGLRSA-N -1 3 285.365 2.304 20 10 CECDHM Cc1nnc([C@H](C)OC(=O)c2cc([O-])cs2)o1 ZINC000732353725 574619577 /nfs/dbraw/zinc/61/95/77/574619577.db2.gz SXUKGZOFMMAXJL-YFKPBYRVSA-N -1 3 254.267 2.063 20 10 CECDHM COC(=O)c1coc(COC(=O)c2cc([O-])cs2)c1 ZINC000732354127 574619791 /nfs/dbraw/zinc/61/97/91/574619791.db2.gz DWDWNCIXOXTCNN-UHFFFAOYSA-N -1 3 282.273 2.190 20 10 CECDHM O=C(NCc1ccc([O-])c(F)c1)NCc1ccccc1O ZINC000738992490 574888570 /nfs/dbraw/zinc/88/85/70/574888570.db2.gz VRNJGZFNCXVIBW-UHFFFAOYSA-N -1 3 290.294 2.236 20 10 CECDHM Cc1cc([O-])c(C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1C ZINC000740089388 574941602 /nfs/dbraw/zinc/94/16/02/574941602.db2.gz SFXZXOCTAJWMBI-TZMCWYRMSA-N -1 3 292.379 2.487 20 10 CECDHM Cc1cc([O-])c(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)cc1C ZINC000740089388 574941604 /nfs/dbraw/zinc/94/16/04/574941604.db2.gz SFXZXOCTAJWMBI-TZMCWYRMSA-N -1 3 292.379 2.487 20 10 CECDHM Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000740142998 574945188 /nfs/dbraw/zinc/94/51/88/574945188.db2.gz ICTJWBWXLMATHP-LBPRGKRZSA-N -1 3 278.352 2.180 20 10 CECDHM Cc1ccc([O-])c(C[NH2+]CC2CCN(C(=O)[O-])CC2)c1 ZINC000740143426 574945246 /nfs/dbraw/zinc/94/52/46/574945246.db2.gz MAMABXNNJVKAIG-UHFFFAOYSA-N -1 3 278.352 2.180 20 10 CECDHM O=C(NC[C@H](O)c1c(F)cccc1F)c1cc([O-])cs1 ZINC000740933649 574971303 /nfs/dbraw/zinc/97/13/03/574971303.db2.gz VMLAXPQMOXYGDI-JTQLQIEISA-N -1 3 299.298 2.195 20 10 CECDHM Cc1cc(Br)cc(C[NH2+]CCC(=O)[O-])c1[O-] ZINC000820953799 598193225 /nfs/dbraw/zinc/19/32/25/598193225.db2.gz CZUGHYIVXZLFBF-UHFFFAOYSA-N -1 3 288.141 2.027 20 10 CECDHM CCCN(C)S(=O)(=O)Nc1cc(F)c([O-])cc1Cl ZINC000901962877 634383730 /nfs/dbraw/zinc/38/37/30/634383730.db2.gz MPTFBURFDVBTLG-UHFFFAOYSA-N -1 3 296.751 2.183 20 10 CECDHM Oc1ccccc1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC000826511410 608377096 /nfs/dbraw/zinc/37/70/96/608377096.db2.gz OLMCHQMVPGLMQW-UHFFFAOYSA-N -1 3 285.282 2.324 20 10 CECDHM Oc1ccccc1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC000826511410 608377099 /nfs/dbraw/zinc/37/70/99/608377099.db2.gz OLMCHQMVPGLMQW-UHFFFAOYSA-N -1 3 285.282 2.324 20 10 CECDHM Cc1ccc(C(=O)Nn2cnc3ccccc32)c([O-])c1O ZINC000177663603 625807238 /nfs/dbraw/zinc/80/72/38/625807238.db2.gz KUSTXLYWDDVZSG-UHFFFAOYSA-N -1 3 283.287 2.140 20 10 CECDHM CCOC(=O)[C@@H]1CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000893867256 629021717 /nfs/dbraw/zinc/02/17/17/629021717.db2.gz TWRFHKGCBDTIIE-SNVBAGLBSA-N -1 3 299.317 2.446 20 10 CECDHM C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1C(=O)[O-] ZINC000311402403 629437400 /nfs/dbraw/zinc/43/74/00/629437400.db2.gz VOGLVGPFZYPHDD-CABZTGNLSA-N -1 3 267.300 2.074 20 10 CECDHM C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1C(=O)[O-] ZINC000311402403 629437401 /nfs/dbraw/zinc/43/74/01/629437401.db2.gz VOGLVGPFZYPHDD-CABZTGNLSA-N -1 3 267.300 2.074 20 10 CECDHM C[C@@H]1CC[C@H](O)CN1Cc1cc(F)cc(F)c1[O-] ZINC000895033815 629807080 /nfs/dbraw/zinc/80/70/80/629807080.db2.gz KLMSAFJZYVNVNK-KCJUWKMLSA-N -1 3 257.280 2.016 20 10 CECDHM CC[C@@H](NCc1cc(C(N)=O)co1)c1ccc(F)cc1[O-] ZINC000796954875 630082847 /nfs/dbraw/zinc/08/28/47/630082847.db2.gz RAVVNWPVEVAEKF-CYBMUJFWSA-N -1 3 292.310 2.464 20 10 CECDHM CC(C)Cn1nccc1C(=O)NCc1c([O-])cccc1F ZINC000928705366 631127879 /nfs/dbraw/zinc/12/78/79/631127879.db2.gz HRLADASKBVMSLY-UHFFFAOYSA-N -1 3 291.326 2.314 20 10 CECDHM C[C@@H](C(=O)NCc1c([O-])cccc1F)C(=O)OC(C)(C)C ZINC000928705866 631128275 /nfs/dbraw/zinc/12/82/75/631128275.db2.gz MBSSGEKPVMCZMT-VIFPVBQESA-N -1 3 297.326 2.125 20 10 CECDHM COC1(CC(=O)NCc2c([O-])cccc2F)CCC1 ZINC000928709205 631129665 /nfs/dbraw/zinc/12/96/65/631129665.db2.gz YMEOSHMQBZQLEX-UHFFFAOYSA-N -1 3 267.300 2.107 20 10 CECDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCOC2(CCC2)C1 ZINC000928709919 631130126 /nfs/dbraw/zinc/13/01/26/631130126.db2.gz IVDMELFKLNHGAI-LLVKDONJSA-N -1 3 293.338 2.497 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](C2CCC2)C1 ZINC000839949971 631370643 /nfs/dbraw/zinc/37/06/43/631370643.db2.gz VWYMMKXLNQAZLJ-NSHDSACASA-N -1 3 261.321 2.360 20 10 CECDHM Cc1nc2n(n1)CCN(Cc1ccc3ccccc3c1[O-])C2 ZINC000816513050 633404220 /nfs/dbraw/zinc/40/42/20/633404220.db2.gz DOGBCRYNLDZNKV-UHFFFAOYSA-N -1 3 294.358 2.461 20 10 CECDHM NC(=O)c1coc(CNCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816574313 633416014 /nfs/dbraw/zinc/41/60/14/633416014.db2.gz CYBXIWXSOUQUAT-UHFFFAOYSA-N -1 3 298.701 2.166 20 10 CECDHM CC(C)(C)c1nnc(C(=O)NCc2c([O-])cccc2F)o1 ZINC000902943651 634896590 /nfs/dbraw/zinc/89/65/90/634896590.db2.gz ACDFERBXHRUYLO-UHFFFAOYSA-N -1 3 293.298 2.142 20 10 CECDHM CCN1CCN(Cc2cc(Cl)c(C)cc2[O-])CC1=O ZINC000825509978 635649184 /nfs/dbraw/zinc/64/91/84/635649184.db2.gz SZZSEYIKOSCCKI-UHFFFAOYSA-N -1 3 282.771 2.018 20 10 CECDHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccccc1[O-] ZINC000229240190 639685560 /nfs/dbraw/zinc/68/55/60/639685560.db2.gz WMYDXHOLOBUQMB-QKCSRTOESA-N -1 3 261.321 2.077 20 10 CECDHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccccc1[O-] ZINC000229240190 639685561 /nfs/dbraw/zinc/68/55/61/639685561.db2.gz WMYDXHOLOBUQMB-QKCSRTOESA-N -1 3 261.321 2.077 20 10 CECDHM O=C(Nc1nc2c(s1)CCC2)c1cccc(O)c1[O-] ZINC000126317529 650543537 /nfs/dbraw/zinc/54/35/37/650543537.db2.gz IGPODNJTAQRSJU-UHFFFAOYSA-N -1 3 276.317 2.295 20 10 CECDHM O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC000126354890 650578419 /nfs/dbraw/zinc/57/84/19/650578419.db2.gz XKDBAXDMGYLPGW-QWHCGFSZSA-N -1 3 269.300 2.384 20 10 CECDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC2(CCCC2)O1 ZINC000844115327 640610771 /nfs/dbraw/zinc/61/07/71/640610771.db2.gz MJOXLWIUXWEKCM-NSHDSACASA-N -1 3 291.347 2.272 20 10 CECDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCCSC1 ZINC000921316790 641245449 /nfs/dbraw/zinc/24/54/49/641245449.db2.gz LCUVAMDFFCIHOQ-VIFPVBQESA-N -1 3 284.356 2.226 20 10 CECDHM O=C1NC(=S)S/C1=C/c1cc(F)c([O-])c(F)c1 ZINC000175315733 641323363 /nfs/dbraw/zinc/32/33/63/641323363.db2.gz FMOXPNURWJZUOX-XVNBXDOJSA-N -1 3 273.285 2.159 20 10 CECDHM CC[C@@H](C)[C@@H](CNC(=O)NCc1c([O-])cccc1F)OC ZINC000922669878 643192111 /nfs/dbraw/zinc/19/21/11/643192111.db2.gz QDRCEFOEBTYZEF-QMTHXVAHSA-N -1 3 298.358 2.392 20 10 CECDHM O=C(NCCCC1(O)CCC1)NCc1c([O-])cccc1F ZINC000922934760 643462735 /nfs/dbraw/zinc/46/27/35/643462735.db2.gz UIZILAQKUCZAPQ-UHFFFAOYSA-N -1 3 296.342 2.026 20 10 CECDHM Cc1cc(Br)c([O-])c(CNCc2ncc[nH]2)c1 ZINC000877672324 650844542 /nfs/dbraw/zinc/84/45/42/650844542.db2.gz BVLSHMXDDOKTML-UHFFFAOYSA-N -1 3 296.168 2.476 20 10 CECDHM COc1c([O-])c(CN2CC3(CC(F)C3)C2)ccc1[N+](=O)[O-] ZINC000839139498 644171535 /nfs/dbraw/zinc/17/15/35/644171535.db2.gz HBDXAZIOXOQIDB-UHFFFAOYSA-N -1 3 296.298 2.243 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC2(CCCC2=O)CC1 ZINC000856016417 644542674 /nfs/dbraw/zinc/54/26/74/644542674.db2.gz HRCLLQFZZMUWJS-UHFFFAOYSA-N -1 3 289.331 2.073 20 10 CECDHM C[C@H](NCC(=O)NC1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000756705571 644684045 /nfs/dbraw/zinc/68/40/45/644684045.db2.gz LFOQMRXRGAXYFR-VIFPVBQESA-N -1 3 298.333 2.380 20 10 CECDHM CCOC(=O)CN(Cc1cc(F)ccc1[O-])C1CCC1 ZINC000768531047 646135664 /nfs/dbraw/zinc/13/56/64/646135664.db2.gz RKYIMSAYMKIVOE-UHFFFAOYSA-N -1 3 281.327 2.449 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H]3C[C@]3(CO)C2)c1[O-] ZINC000782624097 647645739 /nfs/dbraw/zinc/64/57/39/647645739.db2.gz IYPIZGZGDFTJOX-XHDPSFHLSA-N -1 3 295.766 2.062 20 10 CECDHM O=C(Nc1n[nH]c2cc(F)ccc21)c1cccc(O)c1[O-] ZINC000789885935 648352183 /nfs/dbraw/zinc/35/21/83/648352183.db2.gz BWJVEIIWHXXCGW-UHFFFAOYSA-N -1 3 287.250 2.366 20 10 CECDHM O=C(NC[C@H]1COc2ccccc2C1)c1cccc(O)c1[O-] ZINC000790483602 648422182 /nfs/dbraw/zinc/42/21/82/648422182.db2.gz JJOLBJABQQTOEK-NSHDSACASA-N -1 3 299.326 2.079 20 10 CECDHM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[C@H]1O ZINC000792181285 648620821 /nfs/dbraw/zinc/62/08/21/648620821.db2.gz ZSBVEHBTXQHOGB-LDYMZIIASA-N -1 3 273.735 2.387 20 10 CECDHM O=C(N[C@H](C1CC1)[C@H]1CCCOC1)c1cccc(O)c1[O-] ZINC000885478663 653013132 /nfs/dbraw/zinc/01/31/32/653013132.db2.gz KXYONVXVCDZRLG-SMDDNHRTSA-N -1 3 291.347 2.033 20 10 CECDHM CO[C@H](CNC(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC000692957239 802383731 /nfs/dbraw/zinc/38/37/31/802383731.db2.gz GNGGTTPZXHHFFX-CYBMUJFWSA-N -1 3 279.336 2.033 20 10 CECDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCOC1 ZINC000723839519 802942820 /nfs/dbraw/zinc/94/28/20/802942820.db2.gz JPEJGNBFKZIYIU-ZYHUDNBSSA-N -1 3 279.336 2.033 20 10 CECDHM O=C(N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)c1cccc(O)c1[O-] ZINC001167570572 803139187 /nfs/dbraw/zinc/13/91/87/803139187.db2.gz FYAACXNDGJVQLZ-VHDGCEQUSA-N -1 3 299.301 2.305 20 10 CECDHM O=C(NC/C=C\C1CC1)NCc1c([O-])cccc1F ZINC001119683923 815149324 /nfs/dbraw/zinc/14/93/24/815149324.db2.gz VTLYKPWZSVQSTR-IHWYPQMZSA-N -1 3 264.300 2.297 20 10 CECDHM CC(C)[C@@H]1COCCN1Cc1c([O-])cccc1F ZINC001137838810 809812102 /nfs/dbraw/zinc/81/21/02/809812102.db2.gz KUGHZYRUFILNIO-ZDUSSCGKSA-N -1 3 253.317 2.388 20 10 CECDHM C[C@]1(F)CCN(C(=O)c2cccc(O)c2[O-])C[C@H]1F ZINC001148211911 814536810 /nfs/dbraw/zinc/53/68/10/814536810.db2.gz BVMFJNKQXYXVAV-MFKMUULPSA-N -1 3 271.263 2.010 20 10 CECDHM COc1c(O)cccc1NC(=O)c1cccc(O)c1[O-] ZINC001148220060 814537725 /nfs/dbraw/zinc/53/77/25/814537725.db2.gz NRTVPQYDDNIMJP-UHFFFAOYSA-N -1 3 275.260 2.064 20 10 CECDHM [O-]c1cccc(F)c1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC001137832791 815693373 /nfs/dbraw/zinc/69/33/73/815693373.db2.gz HUOMGOFINHYMJA-LBPRGKRZSA-N -1 3 293.260 2.278 20 10 CECDHM C[C@@H]1C[C@@H](O)CCN1Cc1c([O-])c(F)ccc1F ZINC001139685892 816081905 /nfs/dbraw/zinc/08/19/05/816081905.db2.gz DHJFFNCNIHIWOK-BDAKNGLRSA-N -1 3 257.280 2.016 20 10 CECDHM [O-]c1ccc(F)cc1CN1CC2(C1)CCCCO2 ZINC001140063673 816182937 /nfs/dbraw/zinc/18/29/37/816182937.db2.gz UZPZNKSMLMDNEA-UHFFFAOYSA-N -1 3 251.301 2.286 20 10 CECDHM O=C(NCc1c([O-])cccc1F)[C@@H]1Cc2ccccc21 ZINC001178412835 816743495 /nfs/dbraw/zinc/74/34/95/816743495.db2.gz HQYAACGHEYGPGU-GFCCVEGCSA-N -1 3 271.291 2.487 20 10 CECDHM CCCN(CC(=O)NC)Cc1cccc(Cl)c1[O-] ZINC000124564064 283101561 /nfs/dbraw/zinc/10/15/61/283101561.db2.gz VFMRGIRZDBJWKV-UHFFFAOYSA-N -1 3 270.760 2.004 20 10 CECDHM COc1ccc(N2CCN(CCCCC(=O)[O-])CC2)cc1 ZINC000020474640 361583494 /nfs/dbraw/zinc/58/34/94/361583494.db2.gz ATJAVHAYKZBBOW-UHFFFAOYSA-N -1 3 292.379 2.072 20 10 CECDHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])C(=O)NC(C)(C)C ZINC000181235072 368435054 /nfs/dbraw/zinc/43/50/54/368435054.db2.gz MJBNQZWGYJUUEX-UWVGGRQHSA-N -1 3 282.359 2.485 20 10 CECDHM Cc1ccc(C(=O)NC[C@@H](C)c2nccs2)c([O-])c1O ZINC000186018756 368906498 /nfs/dbraw/zinc/90/64/98/368906498.db2.gz AVQGZGVKKMBUOH-SECBINFHSA-N -1 3 292.360 2.396 20 10 CECDHM CN(C(=O)c1cccc(O)c1[O-])C(C1CC1)C1CC1 ZINC000188324901 369338799 /nfs/dbraw/zinc/33/87/99/369338799.db2.gz NLGFOGDYXGVQSF-UHFFFAOYSA-N -1 3 261.321 2.358 20 10 CECDHM O=C(NCCC[C@@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000193163674 369900663 /nfs/dbraw/zinc/90/06/63/369900663.db2.gz ZWQQGNXRUCRVGP-NSHDSACASA-N -1 3 279.336 2.177 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000211694877 370162891 /nfs/dbraw/zinc/16/28/91/370162891.db2.gz IWWPYCCXSYCWFH-TXEJJXNPSA-N -1 3 253.729 2.409 20 10 CECDHM CC(C)C(=O)NC1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000272341025 373439667 /nfs/dbraw/zinc/43/96/67/373439667.db2.gz YSWCRHYQXUBDHL-UHFFFAOYSA-N -1 3 294.370 2.268 20 10 CECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cccnc2)c1 ZINC000273429177 373757938 /nfs/dbraw/zinc/75/79/38/373757938.db2.gz VCUDDFZGKFYGSM-NSHDSACASA-N -1 3 286.331 2.425 20 10 CECDHM CC[C@H](NC1CN(C(=O)OC)C1)c1ccc(F)cc1[O-] ZINC000286078812 375847442 /nfs/dbraw/zinc/84/74/42/375847442.db2.gz LLAQXFYSPUEOTR-LBPRGKRZSA-N -1 3 282.315 2.023 20 10 CECDHM CN(Cc1c([O-])cccc1Cl)[C@@H]1CCC[C@H]1O ZINC000289806217 376508797 /nfs/dbraw/zinc/50/87/97/376508797.db2.gz SPSWUJVOUBUPIZ-DGCLKSJQSA-N -1 3 255.745 2.391 20 10 CECDHM CC(C)n1cnnc1CN(C)Cc1ccccc1[O-] ZINC000292798820 377287849 /nfs/dbraw/zinc/28/78/49/377287849.db2.gz NHJSJMGXMHWRDM-UHFFFAOYSA-N -1 3 260.341 2.197 20 10 CECDHM COc1cc(Cl)cc(CN2C[C@@H](O)C3(CC3)C2)c1[O-] ZINC000364445104 262241317 /nfs/dbraw/zinc/24/13/17/262241317.db2.gz DFVNGGBDUORXOW-GFCCVEGCSA-N -1 3 283.755 2.011 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)C[C@H]2CCCO2)c1[O-] ZINC000048948792 394539578 /nfs/dbraw/zinc/53/95/78/394539578.db2.gz CRMYWSYTPMZNBC-CYBMUJFWSA-N -1 3 281.327 2.345 20 10 CECDHM [O-]c1ccc(Br)cc1CN1C[C@H](O)C2(CC2)C1 ZINC000372369567 395040760 /nfs/dbraw/zinc/04/07/60/395040760.db2.gz UXBVKRDKPRRPGQ-LBPRGKRZSA-N -1 3 298.180 2.111 20 10 CECDHM CCCCOCCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000177664273 395153423 /nfs/dbraw/zinc/15/34/23/395153423.db2.gz BMKDQUNUGKTDLE-UHFFFAOYSA-N -1 3 281.352 2.343 20 10 CECDHM CCC[C@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CCO1 ZINC000182943691 395249623 /nfs/dbraw/zinc/24/96/23/395249623.db2.gz GKOJOZCGPQNVIR-NSHDSACASA-N -1 3 279.336 2.047 20 10 CECDHM CC(C)Cn1ncnc1CN(C)Cc1ccccc1[O-] ZINC000182873096 395250448 /nfs/dbraw/zinc/25/04/48/395250448.db2.gz CEGOTAYHGADPRC-UHFFFAOYSA-N -1 3 274.368 2.272 20 10 CECDHM CN(C)c1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000175769820 261246180 /nfs/dbraw/zinc/24/61/80/261246180.db2.gz YTCSKXZHIBZMRT-UHFFFAOYSA-N -1 3 278.249 2.269 20 10 CECDHM COc1cc(Cl)cc(CN2CCC[C@H](O)C2)c1[O-] ZINC000184672324 262026064 /nfs/dbraw/zinc/02/60/64/262026064.db2.gz IECNEQCDMDGQGS-NSHDSACASA-N -1 3 271.744 2.011 20 10 CECDHM COCC[C@@H]1COCCN1Cc1c([O-])cccc1Cl ZINC000368269147 267158216 /nfs/dbraw/zinc/15/82/16/267158216.db2.gz FPCNSCURIMKPRF-LLVKDONJSA-N -1 3 285.771 2.283 20 10 CECDHM Cc1ccc(C(=O)N2CC[C@@H](C3CC3)C2)c([O-])c1O ZINC000370360076 267312027 /nfs/dbraw/zinc/31/20/27/267312027.db2.gz QYNQGTDHNXLWDH-LLVKDONJSA-N -1 3 261.321 2.278 20 10 CECDHM CC[C@H](N[C@H](C)c1ncnn1C)c1ccc(F)cc1[O-] ZINC000287385535 280969555 /nfs/dbraw/zinc/96/95/55/280969555.db2.gz ILYAREHWTBIBIW-SKDRFNHKSA-N -1 3 278.331 2.462 20 10 CECDHM CC(C)c1nnc2n1CCN(Cc1cc(F)ccc1[O-])C2 ZINC000378495438 329052876 /nfs/dbraw/zinc/05/28/76/329052876.db2.gz MDGQOPKPTFJTSO-UHFFFAOYSA-N -1 3 290.342 2.262 20 10 CECDHM CC[C@H](NCc1cnn(CC)n1)c1ccc(F)cc1[O-] ZINC000527924491 330296434 /nfs/dbraw/zinc/29/64/34/330296434.db2.gz PUJBKMNMDXHMCK-ZDUSSCGKSA-N -1 3 278.331 2.384 20 10 CECDHM CCC(C)(C)OC1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000529809126 333509658 /nfs/dbraw/zinc/50/96/58/333509658.db2.gz WORQOTRUHLAHTE-UHFFFAOYSA-N -1 3 279.336 2.127 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2CO)c1[O-] ZINC000050150264 518278337 /nfs/dbraw/zinc/27/83/37/518278337.db2.gz NVXKLFSVGPGGNS-GFCCVEGCSA-N -1 3 283.755 2.205 20 10 CECDHM CCC[C@@]1(CO)CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000293015912 520963378 /nfs/dbraw/zinc/96/33/78/520963378.db2.gz MNHXDLLQWIGMKU-MRXNPFEDSA-N -1 3 293.363 2.031 20 10 CECDHM COCC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000280033986 521854152 /nfs/dbraw/zinc/85/41/52/521854152.db2.gz YJRDRUKMSZIBAO-LLVKDONJSA-N -1 3 291.303 2.198 20 10 CECDHM COC(=O)c1ccoc1CN(C)Cc1ccccc1[O-] ZINC000264628454 522301676 /nfs/dbraw/zinc/30/16/76/522301676.db2.gz UFYSIZQHIDYNPH-UHFFFAOYSA-N -1 3 275.304 2.404 20 10 CECDHM CC[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@H](C)[S@@]1=O ZINC000289678374 523449525 /nfs/dbraw/zinc/44/95/25/523449525.db2.gz NVPUNPQTVMJWEV-KEVGGSHVSA-N -1 3 285.384 2.263 20 10 CECDHM COC(=O)[C@H](CC(F)(F)F)NCc1cc(F)ccc1[O-] ZINC000276548584 523897004 /nfs/dbraw/zinc/89/70/04/523897004.db2.gz YTTDSMNCUPRHEF-VIFPVBQESA-N -1 3 295.232 2.115 20 10 CECDHM C[C@H](N[C@@H](C)c1cc(F)ccc1[O-])c1nncn1C ZINC000094617329 525527995 /nfs/dbraw/zinc/52/79/95/525527995.db2.gz SZGGYRKQBHWMMF-IUCAKERBSA-N -1 3 264.304 2.072 20 10 CECDHM C[C@H](N[C@@H](C)c1cc(F)ccc1[O-])c1ncnn1C ZINC000276605538 525528108 /nfs/dbraw/zinc/52/81/08/525528108.db2.gz KTBUECQUUILUHK-IUCAKERBSA-N -1 3 264.304 2.072 20 10 CECDHM C[C@@H]1OCC[C@]12CN(Cc1cc(F)ccc1[O-])C[C@@H](C)O2 ZINC000280358013 525604353 /nfs/dbraw/zinc/60/43/53/525604353.db2.gz CJWQGBYLMDNNLE-WQGACYEGSA-N -1 3 295.354 2.300 20 10 CECDHM Cc1cc([O-])c(C[N@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)cc1C ZINC000740089856 574440944 /nfs/dbraw/zinc/44/09/44/574440944.db2.gz ZNOJWMWIHPRZAV-ZDUSSCGKSA-N -1 3 292.379 2.441 20 10 CECDHM Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)cc1C ZINC000740089856 574440946 /nfs/dbraw/zinc/44/09/46/574440946.db2.gz ZNOJWMWIHPRZAV-ZDUSSCGKSA-N -1 3 292.379 2.441 20 10 CECDHM COc1ccc(OCCNC(=O)c2cc([O-])cs2)cc1 ZINC000731865197 574604255 /nfs/dbraw/zinc/60/42/55/574604255.db2.gz IJLHGZKTFXQWGY-UHFFFAOYSA-N -1 3 293.344 2.271 20 10 CECDHM CCNC(=O)c1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000731871299 574604538 /nfs/dbraw/zinc/60/45/38/574604538.db2.gz AHTAMLIGZOHFCH-UHFFFAOYSA-N -1 3 290.344 2.456 20 10 CECDHM C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc([O-])cs1 ZINC000731909622 574605645 /nfs/dbraw/zinc/60/56/45/574605645.db2.gz GKSJEZQWNXRTQR-AOOOYVTPSA-N -1 3 297.376 2.400 20 10 CECDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NC1CCCC1 ZINC000731912285 574605920 /nfs/dbraw/zinc/60/59/20/574605920.db2.gz UATRQCWIPCMXEB-MRVPVSSYSA-N -1 3 283.349 2.058 20 10 CECDHM CC(C)(C)CCNC(=O)COC(=O)c1cc([O-])cs1 ZINC000732354318 574619741 /nfs/dbraw/zinc/61/97/41/574619741.db2.gz JOHQHZAKMRSNGF-UHFFFAOYSA-N -1 3 285.365 2.163 20 10 CECDHM CCc1nnc([C@@H](C)OC(=O)c2cc([O-])cs2)o1 ZINC000732354577 574619765 /nfs/dbraw/zinc/61/97/65/574619765.db2.gz WEPMWROIWCODID-ZCFIWIBFSA-N -1 3 268.294 2.317 20 10 CECDHM CC(=O)NCc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000733363832 574666717 /nfs/dbraw/zinc/66/67/17/574666717.db2.gz JNIUKGGHQOKXBB-UHFFFAOYSA-N -1 3 290.344 2.342 20 10 CECDHM CS[C@H]1CC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000743729394 575109199 /nfs/dbraw/zinc/10/91/99/575109199.db2.gz ZNOMKMHAWVCANX-CBAPKCEASA-N -1 3 257.380 2.468 20 10 CECDHM O=C(NC[C@H](O)CCc1ccccc1)c1cc([O-])cs1 ZINC000753522589 575328672 /nfs/dbraw/zinc/32/86/72/575328672.db2.gz GKZCHOJDXIBIBM-GFCCVEGCSA-N -1 3 291.372 2.177 20 10 CECDHM Cc1csc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000177665396 625810128 /nfs/dbraw/zinc/81/01/28/625810128.db2.gz VKBKSGPCQDHAHF-UHFFFAOYSA-N -1 3 264.306 2.423 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1C[C@@H]2C[C@H]1CS2 ZINC000894986174 629785603 /nfs/dbraw/zinc/78/56/03/629785603.db2.gz VFVGGSBCHREQFB-UWVGGRQHSA-N -1 3 257.305 2.360 20 10 CECDHM COc1ncc(CNCc2c([O-])cccc2F)s1 ZINC000896637934 630621598 /nfs/dbraw/zinc/62/15/98/630621598.db2.gz MDPXJTCZKRQDBM-UHFFFAOYSA-N -1 3 268.313 2.286 20 10 CECDHM Cc1nc(C)c(CNCc2c([O-])cccc2F)o1 ZINC000896638948 630621631 /nfs/dbraw/zinc/62/16/31/630621631.db2.gz SDMIGXXHQSGYFF-UHFFFAOYSA-N -1 3 250.273 2.426 20 10 CECDHM CCc1ncc(CNCc2c([O-])cccc2F)cn1 ZINC000896639594 630622412 /nfs/dbraw/zinc/62/24/12/630622412.db2.gz WWXPRLGYAAIXHX-UHFFFAOYSA-N -1 3 261.300 2.174 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CC[C@@](O)(C(F)F)C1 ZINC000824726812 635486222 /nfs/dbraw/zinc/48/62/22/635486222.db2.gz VEMPGLMSLQDNPB-LBPRGKRZSA-N -1 3 277.698 2.248 20 10 CECDHM O=C(CCC(F)(F)F)NCc1c([O-])cccc1F ZINC000928705224 631127856 /nfs/dbraw/zinc/12/78/56/631127856.db2.gz HTFWYQPGLPHDTF-UHFFFAOYSA-N -1 3 265.206 2.490 20 10 CECDHM O=C(CCCn1cccc1)NCc1c([O-])cccc1F ZINC000928706491 631128922 /nfs/dbraw/zinc/12/89/22/631128922.db2.gz UOBBGYVLBCIGCH-UHFFFAOYSA-N -1 3 276.311 2.429 20 10 CECDHM O=C(NCC1(C(F)(F)F)CC1)c1cccc(O)c1[O-] ZINC000804605054 631711908 /nfs/dbraw/zinc/71/19/08/631711908.db2.gz AWVJTVLQUBKLOL-UHFFFAOYSA-N -1 3 275.226 2.170 20 10 CECDHM COC1(C)CN(Cc2ccc(Br)cc2[O-])C1 ZINC000825935471 635734803 /nfs/dbraw/zinc/73/48/03/635734803.db2.gz VFXSWEFSFYSMFA-UHFFFAOYSA-N -1 3 286.169 2.375 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(O)CC1 ZINC000816482139 633397573 /nfs/dbraw/zinc/39/75/73/633397573.db2.gz WEIUUWJCTRFXEV-UHFFFAOYSA-N -1 3 259.708 2.141 20 10 CECDHM COC[C@H]1CCN1Cc1c([O-])ccc(Cl)c1F ZINC000816636811 633453628 /nfs/dbraw/zinc/45/36/28/633453628.db2.gz ITQFIWVDYZGJKN-MRVPVSSYSA-N -1 3 259.708 2.405 20 10 CECDHM CCn1nc(C)c(CNCc2cc(Cl)ccc2[O-])n1 ZINC000818221678 633887776 /nfs/dbraw/zinc/88/77/76/633887776.db2.gz SBNCTSHHWFYVBE-UHFFFAOYSA-N -1 3 280.759 2.255 20 10 CECDHM [O-]c1ccc(Cl)cc1CN(C1CC1)C1COC1 ZINC000824472320 635434170 /nfs/dbraw/zinc/43/41/70/635434170.db2.gz PTWOYYRYOYXCMC-UHFFFAOYSA-N -1 3 253.729 2.409 20 10 CECDHM CNC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000824560983 635451889 /nfs/dbraw/zinc/45/18/89/635451889.db2.gz NSQFUWVIFRKDLZ-ZDUSSCGKSA-N -1 3 296.798 2.455 20 10 CECDHM C[C@@H](O)CN(Cc1c([O-])cccc1Cl)CC(F)F ZINC000825098224 635565520 /nfs/dbraw/zinc/56/55/20/635565520.db2.gz DGDOPTOYDLAHTD-MRVPVSSYSA-N -1 3 279.714 2.494 20 10 CECDHM Cc1cc([O-])c(CN[C@H](C)c2ncn(C)n2)cc1Cl ZINC000825621139 635678128 /nfs/dbraw/zinc/67/81/28/635678128.db2.gz JOVKVGKOSNRUIY-SECBINFHSA-N -1 3 280.759 2.333 20 10 CECDHM Cc1cc([O-])c(CN(CCO)CC(F)F)cc1Cl ZINC000825744814 635706089 /nfs/dbraw/zinc/70/60/89/635706089.db2.gz RQEBIAHIWXTQHO-UHFFFAOYSA-N -1 3 279.714 2.413 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CCC2(COC2)C1 ZINC000827646056 636375215 /nfs/dbraw/zinc/37/52/15/636375215.db2.gz YVJVOSYKDYCLMR-UHFFFAOYSA-N -1 3 271.719 2.407 20 10 CECDHM CCCCN(C)S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC000830184415 637002303 /nfs/dbraw/zinc/00/23/03/637002303.db2.gz DVVBMXZOTPFSLS-UHFFFAOYSA-N -1 3 294.323 2.059 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000836884445 638735893 /nfs/dbraw/zinc/73/58/93/638735893.db2.gz FWGULYOLKMTTJQ-OCCSQVGLSA-N -1 3 273.332 2.358 20 10 CECDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000126234488 650478619 /nfs/dbraw/zinc/47/86/19/650478619.db2.gz IXKGYRFTEKOSMA-UHFFFAOYSA-N -1 3 259.261 2.359 20 10 CECDHM COc1cc(Cl)cc(C[N@@H+]2CCC[C@]2(C)C(=O)[O-])c1[O-] ZINC000229119170 639677363 /nfs/dbraw/zinc/67/73/63/639677363.db2.gz DCSFJFXEPGBOJS-CQSZACIVSA-N -1 3 299.754 2.493 20 10 CECDHM COc1cc(Cl)cc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])c1[O-] ZINC000229119170 639677364 /nfs/dbraw/zinc/67/73/64/639677364.db2.gz DCSFJFXEPGBOJS-CQSZACIVSA-N -1 3 299.754 2.493 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](C(F)(F)F)C1 ZINC000311665256 639979689 /nfs/dbraw/zinc/97/96/89/639979689.db2.gz YEKFGXRPVAKUAN-SSDOTTSWSA-N -1 3 275.226 2.122 20 10 CECDHM C[C@H]1C(=O)N(C)CN1Cc1ccc2ccccc2c1[O-] ZINC000843434549 640429733 /nfs/dbraw/zinc/42/97/33/640429733.db2.gz AFIOEXSTDDZRPS-NSHDSACASA-N -1 3 270.332 2.165 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1Cc2ccccc2C1 ZINC000126377740 650606268 /nfs/dbraw/zinc/60/62/68/650606268.db2.gz RIGLTJKZWXEFRS-UHFFFAOYSA-N -1 3 255.273 2.254 20 10 CECDHM COC[C@H](CC(C)(C)C)NC(=O)c1cccc(O)c1[O-] ZINC000848313919 641961154 /nfs/dbraw/zinc/96/11/54/641961154.db2.gz ZJZDYQSOHOXEMZ-JTQLQIEISA-N -1 3 281.352 2.279 20 10 CECDHM C[C@H](Cc1ccc(O)cc1)NC(=O)c1cccc(O)c1[O-] ZINC000185869757 642043029 /nfs/dbraw/zinc/04/30/29/642043029.db2.gz YWXFEHUNLXBLSG-SNVBAGLBSA-N -1 3 287.315 2.164 20 10 CECDHM COC(=O)[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])[C@@H]1C ZINC000877465847 650731597 /nfs/dbraw/zinc/73/15/97/650731597.db2.gz BWDSSCRGXJQJRZ-PSASIEDQSA-N -1 3 285.290 2.054 20 10 CECDHM CO[C@H]1CCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000921804464 642653394 /nfs/dbraw/zinc/65/33/94/642653394.db2.gz KSTMBIPJRDBUQC-HZMBPMFUSA-N -1 3 296.342 2.146 20 10 CECDHM C[C@H]1C[C@@H](NCc2cc(Cl)ccc2[O-])c2ncnn21 ZINC000850351404 642677147 /nfs/dbraw/zinc/67/71/47/642677147.db2.gz BCLSRAVUHGHHLY-GZMMTYOYSA-N -1 3 278.743 2.433 20 10 CECDHM CCOC(C)(C)CNC(=O)NCc1c([O-])cccc1F ZINC000922117128 642889113 /nfs/dbraw/zinc/88/91/13/642889113.db2.gz YLCJCKSVRWBYRG-UHFFFAOYSA-N -1 3 284.331 2.146 20 10 CECDHM C[C@@H]1COCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000922443288 643073938 /nfs/dbraw/zinc/07/39/38/643073938.db2.gz BLIZROBDQVGRFE-MNOVXSKESA-N -1 3 296.342 2.003 20 10 CECDHM C[C@@H]1C[C@H](CNC(=O)NCc2c([O-])cccc2F)[C@@H](C)O1 ZINC000922891559 643337117 /nfs/dbraw/zinc/33/71/17/643337117.db2.gz LUVXTAJLIJHDKX-GMTAPVOTSA-N -1 3 296.342 2.144 20 10 CECDHM COc1ncc(C)cc1NC(=O)c1cccc(O)c1[O-] ZINC000187160689 643701228 /nfs/dbraw/zinc/70/12/28/643701228.db2.gz WANCTVITFHIMJK-UHFFFAOYSA-N -1 3 274.276 2.062 20 10 CECDHM CC(C)CCO[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000187174424 643737487 /nfs/dbraw/zinc/73/74/87/643737487.db2.gz ISVTXYUROVNYQM-GFCCVEGCSA-N -1 3 293.363 2.375 20 10 CECDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2ccn(C)n2)c1[O-] ZINC000839195741 644189463 /nfs/dbraw/zinc/18/94/63/644189463.db2.gz GOBPVSOEHDXBPD-VIFPVBQESA-N -1 3 291.326 2.318 20 10 CECDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2nnc(C)o2)c1[O-] ZINC000755142875 644478569 /nfs/dbraw/zinc/47/85/69/644478569.db2.gz OAVAMSPBWSJBAF-ZETCQYMHSA-N -1 3 293.298 2.276 20 10 CECDHM C[C@@H](C[S@](C)=O)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000776521222 647067634 /nfs/dbraw/zinc/06/76/34/647067634.db2.gz MTEGTTYOVKBNKL-ASCAZGACSA-N -1 3 293.791 2.384 20 10 CECDHM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccnn1C ZINC000866615283 647842774 /nfs/dbraw/zinc/84/27/74/647842774.db2.gz TYZSFRZYFFKMPI-UWVGGRQHSA-N -1 3 290.323 2.446 20 10 CECDHM COC(=O)[C@@H](CC(F)F)NCc1cc(Cl)ccc1[O-] ZINC000789578652 648319121 /nfs/dbraw/zinc/31/91/21/648319121.db2.gz DAVQYYFAEWXULT-SECBINFHSA-N -1 3 293.697 2.332 20 10 CECDHM CC1(C)CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1O ZINC000790937120 648462090 /nfs/dbraw/zinc/46/20/90/648462090.db2.gz ILEWJOYIRCRQCV-LLVKDONJSA-N -1 3 273.735 2.387 20 10 CECDHM CN(C)c1cccc(CNCc2cc(F)cc(F)c2[O-])n1 ZINC000883075962 652356214 /nfs/dbraw/zinc/35/62/14/652356214.db2.gz QCOVGLKLYOUJSF-UHFFFAOYSA-N -1 3 293.317 2.421 20 10 CECDHM COCCN(CCF)Cc1cc(Cl)ccc1[O-] ZINC000697048215 806128300 /nfs/dbraw/zinc/12/83/00/806128300.db2.gz SBULRCGZYXBXFW-UHFFFAOYSA-N -1 3 261.724 2.464 20 10 CECDHM C[C@H]1CCC[C@H](C)N1NC(=O)c1cccc(O)c1[O-] ZINC000126515204 805346885 /nfs/dbraw/zinc/34/68/85/805346885.db2.gz VDUXSSSDDWVTPZ-UWVGGRQHSA-N -1 3 264.325 2.006 20 10 CECDHM Cc1ccc(C(=O)[N-]c2c3nonc3ccc2Cl)nn1 ZINC001128607533 809278246 /nfs/dbraw/zinc/27/82/46/809278246.db2.gz UYHZNFLLGOBJPO-UHFFFAOYSA-N -1 3 289.682 2.227 20 10 CECDHM [O-]c1cccc(F)c1CN1CCN(Cc2ccco2)CC1 ZINC001137837619 809781470 /nfs/dbraw/zinc/78/14/70/809781470.db2.gz NWNWKDVDNFBKSY-UHFFFAOYSA-N -1 3 290.338 2.442 20 10 CECDHM Cc1nocc1CNCc1cc(F)cc(F)c1[O-] ZINC000708481333 809928156 /nfs/dbraw/zinc/92/81/56/809928156.db2.gz CFFDJENYGLOXKQ-UHFFFAOYSA-N -1 3 254.236 2.257 20 10 CECDHM CCc1nc(CN(C)C(=O)c2cccc(O)c2[O-])cs1 ZINC000381394093 810400698 /nfs/dbraw/zinc/40/06/98/810400698.db2.gz NGMPHNNBXGJNOF-UHFFFAOYSA-N -1 3 292.360 2.389 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)C[C@H]2C)c1[O-] ZINC000384957719 813125838 /nfs/dbraw/zinc/12/58/38/813125838.db2.gz RCWKPYKVBCRYOH-PELKAZGASA-N -1 3 283.755 2.203 20 10 CECDHM Cc1ccc(O)c(CNC(=O)c2cccc(O)c2[O-])c1 ZINC001147957873 814518191 /nfs/dbraw/zinc/51/81/91/814518191.db2.gz ZNWMEDCOLWBFQX-UHFFFAOYSA-N -1 3 273.288 2.042 20 10 CECDHM O=C(Nc1nc(C2CC2)cs1)c1cc(O)c([O-])c(O)c1 ZINC001148581726 814590968 /nfs/dbraw/zinc/59/09/68/814590968.db2.gz STNAHNGBJLMPAV-UHFFFAOYSA-N -1 3 292.316 2.390 20 10 CECDHM CN(CCc1cccs1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584289 814591859 /nfs/dbraw/zinc/59/18/59/814591859.db2.gz RCTHFUXCGPBFTL-UHFFFAOYSA-N -1 3 293.344 2.180 20 10 CECDHM Cc1cc(O)cc(C)c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148585852 814591898 /nfs/dbraw/zinc/59/18/98/814591898.db2.gz AUCZFZPXVQEGFX-UHFFFAOYSA-N -1 3 289.287 2.378 20 10 CECDHM CN1CCN(Cc2c(F)ccc(F)c2[O-])CC1(C)C ZINC001139686018 816081051 /nfs/dbraw/zinc/08/10/51/816081051.db2.gz JUKSUBYDJIDICR-UHFFFAOYSA-N -1 3 270.323 2.196 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CCC[C@]12CCOC2 ZINC001139685176 816081636 /nfs/dbraw/zinc/08/16/36/816081636.db2.gz ALIQTSIQBIPJBC-CQSZACIVSA-N -1 3 269.291 2.425 20 10 CECDHM Cc1noc([C@H]2CCN(Cc3c(F)ccc(F)c3[O-])C2)n1 ZINC001139686284 816084464 /nfs/dbraw/zinc/08/44/64/816084464.db2.gz SDKSAOFMHQNCPC-VIFPVBQESA-N -1 3 295.289 2.351 20 10 CECDHM O=C1CCCN(Cc2cc(F)ccc2[O-])C[C@H]1F ZINC001140057796 816181636 /nfs/dbraw/zinc/18/16/36/816181636.db2.gz MVAAWYXNJJOQFW-LLVKDONJSA-N -1 3 255.264 2.034 20 10 CECDHM CC(=O)N1CCN(Cc2c([O-])cccc2Cl)[C@@H](C)C1 ZINC001140342100 816237427 /nfs/dbraw/zinc/23/74/27/816237427.db2.gz UYIYMNPYXIJFQY-JTQLQIEISA-N -1 3 282.771 2.098 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@H](CCO)C1 ZINC001140583274 816290159 /nfs/dbraw/zinc/29/01/59/816290159.db2.gz CIDZQVLMZBBNGK-SNVBAGLBSA-N -1 3 271.307 2.265 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCCC[C@H](O)C1 ZINC001140582784 816290902 /nfs/dbraw/zinc/29/09/02/816290902.db2.gz MXNQRXGIAAMEJF-JTQLQIEISA-N -1 3 257.280 2.017 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@@H](CCO)C1 ZINC001140583273 816292014 /nfs/dbraw/zinc/29/20/14/816292014.db2.gz CIDZQVLMZBBNGK-JTQLQIEISA-N -1 3 271.307 2.265 20 10 CECDHM COC(=O)[C@H]1C[C@@H](C)CN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583841 816293462 /nfs/dbraw/zinc/29/34/62/816293462.db2.gz VQZQXCVOLYTZCY-ZJUUUORDSA-N -1 3 299.317 2.301 20 10 CECDHM Cc1ccc([C@@H](C)N[C@@H](C)c2nncn2C)c([O-])c1 ZINC000037016328 361883132 /nfs/dbraw/zinc/88/31/32/361883132.db2.gz XQLGGOPIOYJTTG-MNOVXSKESA-N -1 3 260.341 2.241 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)OC[C@H]2C)c1[O-] ZINC000037323455 361903360 /nfs/dbraw/zinc/90/33/60/361903360.db2.gz HGGGFZFMYJEXCI-ZJUUUORDSA-N -1 3 281.327 2.343 20 10 CECDHM CNC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(C)c1[O-] ZINC000179701640 344505156 /nfs/dbraw/zinc/50/51/56/344505156.db2.gz BHXHEYMHBQLDAQ-CYBMUJFWSA-N -1 3 296.798 2.455 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCOCC23CCC3)c1[O-] ZINC000135511378 366448964 /nfs/dbraw/zinc/44/89/64/366448964.db2.gz SGWGPQDLLVUKNB-UHFFFAOYSA-N -1 3 293.338 2.489 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCOC2(CCOCC2)C1 ZINC000091895199 364072763 /nfs/dbraw/zinc/07/27/63/364072763.db2.gz ZXJUZPDHCFEAHS-UHFFFAOYSA-N -1 3 297.782 2.427 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CCC[C@@H](OCCO)C1 ZINC000180175730 368369919 /nfs/dbraw/zinc/36/99/19/368369919.db2.gz VZQRWYJKPOHIEG-GFCCVEGCSA-N -1 3 285.771 2.019 20 10 CECDHM Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3C2)c([O-])c1O ZINC000179543269 368341564 /nfs/dbraw/zinc/34/15/64/368341564.db2.gz NFMZEQBWZNSXTN-QWRGUYRKSA-N -1 3 261.321 2.278 20 10 CECDHM CC(C)N1CC[C@@H](N[C@@H](C)c2ccc(F)c(F)c2[O-])C1=O ZINC000187784413 369221483 /nfs/dbraw/zinc/22/14/83/369221483.db2.gz VREDKPUJCTVFGL-JOYOIKCWSA-N -1 3 298.333 2.330 20 10 CECDHM COCCO[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000188822480 369413711 /nfs/dbraw/zinc/41/37/11/369413711.db2.gz BDFFASQGVBDFCF-GFCCVEGCSA-N -1 3 285.771 2.283 20 10 CECDHM C[C@@H](N[C@@H](C)C(=O)NCCF)c1cc(Cl)ccc1[O-] ZINC000282791843 296143900 /nfs/dbraw/zinc/14/39/00/296143900.db2.gz QGWQSNNDESBELX-BDAKNGLRSA-N -1 3 288.750 2.170 20 10 CECDHM Cn1nccc1CNCc1cc(Br)ccc1[O-] ZINC000227437146 370371105 /nfs/dbraw/zinc/37/11/05/370371105.db2.gz SHMAOKKEPXDETA-UHFFFAOYSA-N -1 3 296.168 2.178 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000269865268 372583115 /nfs/dbraw/zinc/58/31/15/372583115.db2.gz XAEDWTJQQPEQQD-YGRLFVJLSA-N -1 3 295.354 2.469 20 10 CECDHM CC[C@@H]1CO[C@H](C)CN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272751950 373641380 /nfs/dbraw/zinc/64/13/80/373641380.db2.gz OKXXILFZTPUCTP-GHMZBOCLSA-N -1 3 279.336 2.046 20 10 CECDHM CCC1(CNC(=O)c2ccc(C)c(O)c2[O-])CCOCC1 ZINC000272765155 373648207 /nfs/dbraw/zinc/64/82/07/373648207.db2.gz RCGJCXGNWNTOKA-UHFFFAOYSA-N -1 3 293.363 2.343 20 10 CECDHM CCO[C@@H]1C[C@H](NCc2c([O-])cccc2Cl)[C@@H]1OC ZINC000273813031 373772281 /nfs/dbraw/zinc/77/22/81/373772281.db2.gz WXHMOZLARJAACE-YUTCNCBUSA-N -1 3 285.771 2.328 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN(C)C2(CO)CC2)c1[O-] ZINC000285408771 375837917 /nfs/dbraw/zinc/83/79/17/375837917.db2.gz FTXQECRWJIIOFF-UHFFFAOYSA-N -1 3 283.755 2.205 20 10 CECDHM CC[C@@H](NCC(=O)NCC1CC1)c1ccc(F)cc1[O-] ZINC000285959158 375845178 /nfs/dbraw/zinc/84/51/78/375845178.db2.gz FKFLIXLFNJKGDW-CYBMUJFWSA-N -1 3 280.343 2.098 20 10 CECDHM CC[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000285957138 375845581 /nfs/dbraw/zinc/84/55/81/375845581.db2.gz FIZMGABQIJXNLV-KBPBESRZSA-N -1 3 293.342 2.039 20 10 CECDHM Cc1noc(C)c1C(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000286277878 375897342 /nfs/dbraw/zinc/89/73/42/375897342.db2.gz DUUMETUBLGJXGP-UHFFFAOYSA-N -1 3 290.319 2.368 20 10 CECDHM CCn1cc([C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cn1 ZINC000296890344 378657226 /nfs/dbraw/zinc/65/72/26/378657226.db2.gz IGGZXIUKQGKTIX-SNVBAGLBSA-N -1 3 289.335 2.114 20 10 CECDHM CCOC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000529664264 380182274 /nfs/dbraw/zinc/18/22/74/380182274.db2.gz CBJQHTZVNMZAEE-ZDUSSCGKSA-N -1 3 285.771 2.283 20 10 CECDHM CCOC[C@@H]1CN(Cc2ccc(OCC)cc2[O-])CCO1 ZINC000529667406 380183158 /nfs/dbraw/zinc/18/31/58/380183158.db2.gz VCQWALQHYVSISL-HNNXBMFYSA-N -1 3 295.379 2.028 20 10 CECDHM CN(Cc1nc(-c2ccccn2)no1)Cc1ccccc1[O-] ZINC000365216453 394921281 /nfs/dbraw/zinc/92/12/81/394921281.db2.gz FNGAURUBBGPTQE-UHFFFAOYSA-N -1 3 296.330 2.469 20 10 CECDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000132477719 394931451 /nfs/dbraw/zinc/93/14/51/394931451.db2.gz RILUYMCRAZKUSL-SECBINFHSA-N -1 3 286.169 2.375 20 10 CECDHM Cc1ccc(C(=O)NCC2(C3CC3)CC2)c([O-])c1O ZINC000182891456 395249578 /nfs/dbraw/zinc/24/95/78/395249578.db2.gz QAOWFUBMUDENKM-UHFFFAOYSA-N -1 3 261.321 2.326 20 10 CECDHM Cc1c(/C=C/C(=O)N2CCCc3cccc([O-])c32)cnn1C ZINC000182918169 395250269 /nfs/dbraw/zinc/25/02/69/395250269.db2.gz AOXPXQBXSAMSSB-CMDGGOBGSA-N -1 3 297.358 2.427 20 10 CECDHM CC(C)OC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000179582652 395197214 /nfs/dbraw/zinc/19/72/14/395197214.db2.gz AZSYBAHNTZHIHR-LLVKDONJSA-N -1 3 251.326 2.164 20 10 CECDHM Cc1ccc([C@@H](C)NCc2nnc3n2CCCC3)c([O-])c1 ZINC000183847766 395265055 /nfs/dbraw/zinc/26/50/55/395265055.db2.gz ZDDSEGMPELQJAR-GFCCVEGCSA-N -1 3 286.379 2.479 20 10 CECDHM C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126645631 260355191 /nfs/dbraw/zinc/35/51/91/260355191.db2.gz ISWNNDCOUCXOFK-VXGBXAGGSA-N -1 3 293.363 2.254 20 10 CECDHM O=C(N[C@@H]1CCCc2occc21)c1cccc(O)c1[O-] ZINC000186882716 262114406 /nfs/dbraw/zinc/11/44/06/262114406.db2.gz RWIQILIFYAWJPI-LLVKDONJSA-N -1 3 273.288 2.498 20 10 CECDHM CC1(C)CCN(C(=O)c2cccc(O)c2[O-])CCS1 ZINC000228670971 329059108 /nfs/dbraw/zinc/05/91/08/329059108.db2.gz WLZZNOKVRSCKEG-UHFFFAOYSA-N -1 3 281.377 2.456 20 10 CECDHM Cc1c(CNCc2cccc(Cl)c2[O-])cnn1C ZINC000224941230 329248543 /nfs/dbraw/zinc/24/85/43/329248543.db2.gz WICMSAIFQDBSMB-UHFFFAOYSA-N -1 3 265.744 2.377 20 10 CECDHM CCCN1CCCN(Cc2cc(Cl)ccc2[O-])CC1=O ZINC000189206920 329377224 /nfs/dbraw/zinc/37/72/24/329377224.db2.gz KGDSRGUJVILJDQ-UHFFFAOYSA-N -1 3 296.798 2.490 20 10 CECDHM O=C(/C=C\c1cncc([O-])c1)N1CCc2ccccc21 ZINC000254987197 334498030 /nfs/dbraw/zinc/49/80/30/334498030.db2.gz INUIVIADPMVBGZ-WAYWQWQTSA-N -1 3 266.300 2.390 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CC[C@H](O)C[C@@H]2C)c1[O-] ZINC000292520163 518287041 /nfs/dbraw/zinc/28/70/41/518287041.db2.gz WFTRKBLXRFUNDE-ZANVPECISA-N -1 3 281.327 2.079 20 10 CECDHM COCCN(Cc1cccnc1)Cc1ccccc1[O-] ZINC000289445795 523760501 /nfs/dbraw/zinc/76/05/01/523760501.db2.gz MNUNPNDGGPWCPH-UHFFFAOYSA-N -1 3 272.348 2.436 20 10 CECDHM CO[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000234888618 523996068 /nfs/dbraw/zinc/99/60/68/523996068.db2.gz VQKYPDCQZGSHNW-LBPRGKRZSA-N -1 3 283.755 2.469 20 10 CECDHM C[C@H]1CCCCN1C(=O)COC(=O)c1cc([O-])cs1 ZINC000731910919 574605707 /nfs/dbraw/zinc/60/57/07/574605707.db2.gz WSZSKUQCGCKYDN-VIFPVBQESA-N -1 3 283.349 2.012 20 10 CECDHM Cc1cc(C(=O)COC(=O)c2cc([O-])cs2)c(C)[nH]1 ZINC000731910223 574605757 /nfs/dbraw/zinc/60/57/57/574605757.db2.gz PEESFNLMSYJIIZ-UHFFFAOYSA-N -1 3 279.317 2.438 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000732285066 574618014 /nfs/dbraw/zinc/61/80/14/574618014.db2.gz PLOIYHZBTGHMMB-VIFPVBQESA-N -1 3 277.349 2.197 20 10 CECDHM COc1cccnc1NC(=O)c1cc([O-])cs1 ZINC000732281505 574618086 /nfs/dbraw/zinc/61/80/86/574618086.db2.gz MMVGIMOWYDHXOQ-UHFFFAOYSA-N -1 3 250.279 2.110 20 10 CECDHM CCOC(=O)C1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000732275275 574617359 /nfs/dbraw/zinc/61/73/59/574617359.db2.gz HUVYSYFLSWYXCI-UHFFFAOYSA-N -1 3 297.376 2.305 20 10 CECDHM CC[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@H](C)O1 ZINC000732301706 574617701 /nfs/dbraw/zinc/61/77/01/574617701.db2.gz GTDGNVRAKDBQDW-WCBMZHEXSA-N -1 3 255.339 2.093 20 10 CECDHM CCCCCCNC(=O)COC(=O)c1cc([O-])cs1 ZINC000732354076 574619662 /nfs/dbraw/zinc/61/96/62/574619662.db2.gz OFZRUWUCCHGHFG-UHFFFAOYSA-N -1 3 285.365 2.307 20 10 CECDHM CC(C)[C@@H](CNCc1ccc(N(C)C)c(F)c1)NC(=O)[O-] ZINC000738791815 574879050 /nfs/dbraw/zinc/87/90/50/574879050.db2.gz FRAREGYCWQDTSP-CYBMUJFWSA-N -1 3 297.374 2.274 20 10 CECDHM CCN(CC)c1ccc(CNCCN(C)C(=O)[O-])cc1 ZINC000739415453 574917379 /nfs/dbraw/zinc/91/73/79/574917379.db2.gz VNNBQXYRAIZOSJ-UHFFFAOYSA-N -1 3 279.384 2.232 20 10 CECDHM COC(=O)CN(Cc1c([O-])ccc2ccncc21)C1CC1 ZINC000751954425 575302455 /nfs/dbraw/zinc/30/24/55/575302455.db2.gz WJJYETOSHZHZRC-UHFFFAOYSA-N -1 3 286.331 2.078 20 10 CECDHM Cc1ccc(C(=O)Nc2cccc3c2COC3=O)c([O-])c1O ZINC000752867339 575315773 /nfs/dbraw/zinc/31/57/73/575315773.db2.gz PORGMRJWOPGTAN-UHFFFAOYSA-N -1 3 299.282 2.329 20 10 CECDHM O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000821540116 598213027 /nfs/dbraw/zinc/21/30/27/598213027.db2.gz SQGMFLMJQDNPIH-CQSZACIVSA-N -1 3 289.306 2.317 20 10 CECDHM O=C(Nc1ccc2oc(=O)ccc2c1)c1cccc(O)c1[O-] ZINC000186990805 628264038 /nfs/dbraw/zinc/26/40/38/628264038.db2.gz AMMYKGBHDOUYCS-UHFFFAOYSA-N -1 3 297.266 2.457 20 10 CECDHM Cc1cc([O-])c(CN2CC(=O)N(C)[C@H](C)C2)c(Cl)c1 ZINC000840942972 628802117 /nfs/dbraw/zinc/80/21/17/628802117.db2.gz NNVQCVOOVVQZPL-SNVBAGLBSA-N -1 3 282.771 2.017 20 10 CECDHM C[C@@H]1[C@H](C)N(C)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894488386 629486823 /nfs/dbraw/zinc/48/68/23/629486823.db2.gz XBYUOHUIUPMNBG-VHSXEESVSA-N -1 3 270.323 2.195 20 10 CECDHM COCc1nc(NCc2c([O-])cccc2F)cc(OC)n1 ZINC000895832843 630369989 /nfs/dbraw/zinc/36/99/89/630369989.db2.gz NZDKGGQBUKPONF-UHFFFAOYSA-N -1 3 293.298 2.088 20 10 CECDHM Cc1nc([C@@H]2CCN(Cc3cc(F)cc(F)c3[O-])C2)no1 ZINC000896232066 630504202 /nfs/dbraw/zinc/50/42/02/630504202.db2.gz WAYFBVOBXKLWIK-SECBINFHSA-N -1 3 295.289 2.351 20 10 CECDHM [O-]c1cccc(F)c1CNCc1nccn1C1CC1 ZINC000896640517 630622724 /nfs/dbraw/zinc/62/27/24/630622724.db2.gz RHHDZMSNYRZTAZ-UHFFFAOYSA-N -1 3 261.300 2.353 20 10 CECDHM [O-]c1cccc(F)c1CNCc1cc2n(n1)CCCC2 ZINC000896639481 630622727 /nfs/dbraw/zinc/62/27/27/630622727.db2.gz VEHINFLRDAABSX-UHFFFAOYSA-N -1 3 275.327 2.354 20 10 CECDHM COc1cc(NC(=O)c2cccc(O)c2[O-])ccc1O ZINC000798097425 630812640 /nfs/dbraw/zinc/81/26/40/630812640.db2.gz FHIIPLBRLLPEOU-UHFFFAOYSA-N -1 3 275.260 2.064 20 10 CECDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@](O)(C(F)F)C1 ZINC000824726138 635485696 /nfs/dbraw/zinc/48/56/96/635485696.db2.gz GHHQKXMEABFOBT-GFCCVEGCSA-N -1 3 295.688 2.387 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](C2CCC2)C1 ZINC000839949969 631370924 /nfs/dbraw/zinc/37/09/24/631370924.db2.gz VWYMMKXLNQAZLJ-LLVKDONJSA-N -1 3 261.321 2.360 20 10 CECDHM Cc1cc([O-])c(CN2CCNC(=O)C[C@H]2C)cc1Cl ZINC000825935166 635735093 /nfs/dbraw/zinc/73/50/93/635735093.db2.gz NZZGDKQIIMBVBE-SNVBAGLBSA-N -1 3 282.771 2.064 20 10 CECDHM O=C(NC[C@@H]1CCC2(CCC2)CO1)c1cccc(O)c1[O-] ZINC000899465296 632868934 /nfs/dbraw/zinc/86/89/34/632868934.db2.gz CQVTYPVMLGDLDX-NSHDSACASA-N -1 3 291.347 2.177 20 10 CECDHM CO[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1OC ZINC000816591334 633418726 /nfs/dbraw/zinc/41/87/26/633418726.db2.gz BPBQZBVYFMLLLA-BETUJISGSA-N -1 3 289.734 2.030 20 10 CECDHM Cc1cc([O-])c(CN2CC(=O)N(C)C[C@H]2C)cc1Cl ZINC000825628587 635679261 /nfs/dbraw/zinc/67/92/61/635679261.db2.gz AYZXHOZZUQQLIL-SNVBAGLBSA-N -1 3 282.771 2.017 20 10 CECDHM Cc1nnc(CN(C)Cc2cc(F)ccc2[O-])s1 ZINC000827805337 636428703 /nfs/dbraw/zinc/42/87/03/636428703.db2.gz ITPOAUQPXDMCCR-UHFFFAOYSA-N -1 3 267.329 2.323 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1C(F)(F)F ZINC000913020756 639189333 /nfs/dbraw/zinc/18/93/33/639189333.db2.gz YJIBPRBVSGBNEM-VIFPVBQESA-N -1 3 275.226 2.265 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC=CC12CCCC2 ZINC000913202714 639217561 /nfs/dbraw/zinc/21/75/61/639217561.db2.gz JKUDJWINZWIHLJ-UHFFFAOYSA-N -1 3 259.305 2.423 20 10 CECDHM O=C(OCc1cc(=O)[n-]c(C2CC2)n1)C1=CC(=O)CS1 ZINC000837516556 639262859 /nfs/dbraw/zinc/26/28/59/639262859.db2.gz ZRTODNRQMPKIHV-UHFFFAOYSA-N -1 3 292.316 2.184 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@@](F)(CO)C2)c(Cl)c1 ZINC000840943191 639595029 /nfs/dbraw/zinc/59/50/29/639595029.db2.gz LEKCCCYIEBEQOH-ZDUSSCGKSA-N -1 3 273.735 2.260 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](O)[C@@H](C)C2)c1[O-] ZINC000230635060 639775906 /nfs/dbraw/zinc/77/59/06/639775906.db2.gz VTBQXRCTSKGYLT-LKFCYVNXSA-N -1 3 297.782 2.451 20 10 CECDHM C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])[C@@H](C)CN1C ZINC000877407470 650710067 /nfs/dbraw/zinc/71/00/67/650710067.db2.gz RHHIUNXDXKYXAW-ZJUUUORDSA-N -1 3 270.323 2.195 20 10 CECDHM C[C@@H](Cc1ccc(O)c(O)c1)[N-]C(=O)C(F)(F)C(F)F ZINC000186441379 642537692 /nfs/dbraw/zinc/53/76/92/642537692.db2.gz BBQPQIVUUFBFKP-LURJTMIESA-N -1 3 295.232 2.045 20 10 CECDHM CN(Cc1ccc(O)cc1)C(=O)c1cccc(O)c1[O-] ZINC000126574000 650777061 /nfs/dbraw/zinc/77/70/61/650777061.db2.gz FFQXHHJGXULQII-UHFFFAOYSA-N -1 3 273.288 2.076 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCSC1 ZINC000922253454 642982860 /nfs/dbraw/zinc/98/28/60/642982860.db2.gz UGBKSAPVXPPUKG-SECBINFHSA-N -1 3 284.356 2.084 20 10 CECDHM C[C@@H]1SCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000923047113 643531363 /nfs/dbraw/zinc/53/13/63/643531363.db2.gz VHAYBNMOMCLXGF-GZMMTYOYSA-N -1 3 284.356 2.225 20 10 CECDHM COCCCOC1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000839132953 644168905 /nfs/dbraw/zinc/16/89/05/644168905.db2.gz ICJKFGNDKXWVNU-UHFFFAOYSA-N -1 3 285.771 2.283 20 10 CECDHM C[C@H](NCc1ccc(F)c(F)c1[O-])c1ccnn1C ZINC000877761330 650900923 /nfs/dbraw/zinc/90/09/23/650900923.db2.gz FNLSRCUDCWNBMH-QMMMGPOBSA-N -1 3 267.279 2.255 20 10 CECDHM C[C@@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1ncnn1C ZINC000788983939 644248216 /nfs/dbraw/zinc/24/82/16/644248216.db2.gz PDIGLSXGYMHENW-JGVFFNPUSA-N -1 3 282.294 2.211 20 10 CECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccon2)c1 ZINC000756639295 644676956 /nfs/dbraw/zinc/67/69/56/644676956.db2.gz ZWPQQFZAXWNQCM-VIFPVBQESA-N -1 3 276.292 2.018 20 10 CECDHM [O-]c1cccc(Br)c1CN(CCO)C1CC1 ZINC000862220465 646368592 /nfs/dbraw/zinc/36/85/92/646368592.db2.gz OFNDRYULFNGSNY-UHFFFAOYSA-N -1 3 286.169 2.111 20 10 CECDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])c(O)c1 ZINC000785426958 647927520 /nfs/dbraw/zinc/92/75/20/647927520.db2.gz UZKZSLVYDRWNQS-UHFFFAOYSA-N -1 3 275.260 2.064 20 10 CECDHM C[C@H]1C[C@H](O)CN1Cc1cccc(Br)c1[O-] ZINC000788269425 648168218 /nfs/dbraw/zinc/16/82/18/648168218.db2.gz NOUQDWOFXMRTLC-WPRPVWTQSA-N -1 3 286.169 2.110 20 10 CECDHM C[C@H]1C[C@@H](O)CN1Cc1c([O-])ccc(Cl)c1F ZINC000792178049 648619813 /nfs/dbraw/zinc/61/98/13/648619813.db2.gz BMONHJFPXHJTOK-JGVFFNPUSA-N -1 3 259.708 2.140 20 10 CECDHM C[C@H]1c2nncn2CCN1Cc1cc(Cl)ccc1[O-] ZINC000792186037 648621455 /nfs/dbraw/zinc/62/14/55/648621455.db2.gz FVUBGDPXKDVLLW-VIFPVBQESA-N -1 3 278.743 2.214 20 10 CECDHM CC(C)c1ncc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000794417162 648864326 /nfs/dbraw/zinc/86/43/26/648864326.db2.gz YRSHWZQRNYJPRE-UHFFFAOYSA-N -1 3 273.292 2.264 20 10 CECDHM C[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccn(C)n1 ZINC000883145171 652377920 /nfs/dbraw/zinc/37/79/20/652377920.db2.gz QJEZKCXSVLSYEY-MRVPVSSYSA-N -1 3 267.279 2.255 20 10 CECDHM [O-]c1cccc(Br)c1CN1CC2(CCO2)C1 ZINC001140101018 802600226 /nfs/dbraw/zinc/60/02/26/802600226.db2.gz HGXMQFBFTUYHOS-UHFFFAOYSA-N -1 3 284.153 2.129 20 10 CECDHM C[C@@H](NCc1cc(Cl)ccc1[O-])c1nncn1C ZINC000037017392 814984269 /nfs/dbraw/zinc/98/42/69/814984269.db2.gz QXMGXZSKWQNYIU-MRVPVSSYSA-N -1 3 266.732 2.025 20 10 CECDHM COC(=O)C(C)(C)NCc1cc(Cl)ccc1[O-] ZINC000037085576 814993474 /nfs/dbraw/zinc/99/34/74/814993474.db2.gz YMLVICYWHCUIGS-UHFFFAOYSA-N -1 3 257.717 2.087 20 10 CECDHM CCCN1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708402216 809930058 /nfs/dbraw/zinc/93/00/58/809930058.db2.gz VTDADACKVUIHHW-UHFFFAOYSA-N -1 3 270.323 2.198 20 10 CECDHM CC(C)[C@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC000709021840 809939837 /nfs/dbraw/zinc/93/98/37/809939837.db2.gz TVJRZWJXQRSRLM-CYBMUJFWSA-N -1 3 253.317 2.388 20 10 CECDHM Cc1ccc(NCc2ccc(O)c(O)c2)cc1-c1nnn[n-]1 ZINC001169997216 811878296 /nfs/dbraw/zinc/87/82/96/811878296.db2.gz VXDXHUOOKBOILW-UHFFFAOYSA-N -1 3 297.318 2.198 20 10 CECDHM Cc1ccc(NCc2ccc(O)c(O)c2)cc1-c1nn[n-]n1 ZINC001169997216 811878304 /nfs/dbraw/zinc/87/83/04/811878304.db2.gz VXDXHUOOKBOILW-UHFFFAOYSA-N -1 3 297.318 2.198 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@@H](O)C2)c1[O-] ZINC000388201525 813231542 /nfs/dbraw/zinc/23/15/42/813231542.db2.gz SETBJLIDWUZGBW-OQPBUACISA-N -1 3 283.755 2.061 20 10 CECDHM Cc1nnc([C@H](C)NCc2c([O-])cccc2Cl)[nH]1 ZINC000392455911 813304016 /nfs/dbraw/zinc/30/40/16/813304016.db2.gz JATIDGNHJOTHGO-ZETCQYMHSA-N -1 3 266.732 2.323 20 10 CECDHM CC(C)N(C(=O)c1cc(O)c([O-])c(O)c1)C(C)C ZINC000170190506 813511727 /nfs/dbraw/zinc/51/17/27/813511727.db2.gz UOZVQVPICDBCPR-UHFFFAOYSA-N -1 3 253.298 2.062 20 10 CECDHM C[C@]1(CF)CC(F)(F)CN1C(=O)c1cccc(O)c1[O-] ZINC001148212003 814536028 /nfs/dbraw/zinc/53/60/28/814536028.db2.gz HNCUVXPYKFEQBH-GFCCVEGCSA-N -1 3 289.253 2.307 20 10 CECDHM O=C(N[C@@H]1COCc2ccccc21)c1cccc(O)c1[O-] ZINC001148224672 814538456 /nfs/dbraw/zinc/53/84/56/814538456.db2.gz RWVXLAOSNLQQPL-CYBMUJFWSA-N -1 3 285.299 2.099 20 10 CECDHM Cc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)c2cc[nH]c2n1 ZINC001148581863 814590645 /nfs/dbraw/zinc/59/06/45/814590645.db2.gz DPWIUEMEEJCDET-UHFFFAOYSA-N -1 3 299.286 2.192 20 10 CECDHM CC(C)[C@H]1COCCN1Cc1cccc(F)c1[O-] ZINC001138128331 815734775 /nfs/dbraw/zinc/73/47/75/815734775.db2.gz DCNWOZQDCPLVCL-CYBMUJFWSA-N -1 3 253.317 2.388 20 10 CECDHM CC(C)N1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139685639 816077352 /nfs/dbraw/zinc/07/73/52/816077352.db2.gz RDEGYAMKZYTSSW-UHFFFAOYSA-N -1 3 270.323 2.196 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CC(N2CCCCC2)C1 ZINC001139686382 816083260 /nfs/dbraw/zinc/08/32/60/816083260.db2.gz WZKJBOBLPRPZHQ-UHFFFAOYSA-N -1 3 282.334 2.341 20 10 CECDHM O=C1CCN(Cc2c([O-])cccc2Br)CC1 ZINC001140099200 816189066 /nfs/dbraw/zinc/18/90/66/816189066.db2.gz ZSTPSRNLGPTQDF-UHFFFAOYSA-N -1 3 284.153 2.320 20 10 CECDHM CC(=O)CN(C)Cc1c([O-])cccc1Br ZINC001140098977 816189266 /nfs/dbraw/zinc/18/92/66/816189266.db2.gz VUXKAZZAQJCGJY-UHFFFAOYSA-N -1 3 272.142 2.176 20 10 CECDHM COC(=O)[C@@H]1CC[C@@H](C)N(Cc2c([O-])cc(F)cc2F)C1 ZINC001140582972 816291509 /nfs/dbraw/zinc/29/15/09/816291509.db2.gz RMJSMVDEFHGWEJ-NXEZZACHSA-N -1 3 299.317 2.444 20 10 CECDHM COC(=O)[C@H]1CCCN(Cc2c([O-])cc(F)cc2F)[C@@H]1C ZINC001140583946 816293423 /nfs/dbraw/zinc/29/34/23/816293423.db2.gz ZQKNGUKDZDVGNK-KOLCDFICSA-N -1 3 299.317 2.444 20 10 CECDHM COC(=O)[C@@]1(C)CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140585459 816294392 /nfs/dbraw/zinc/29/43/92/816294392.db2.gz JGPLTGMHSACRFE-AWEZNQCLSA-N -1 3 285.290 2.055 20 10 CECDHM O=C(Cc1ccc(O)c(F)c1)NCc1c([O-])cccc1F ZINC001178413726 816743505 /nfs/dbraw/zinc/74/35/05/816743505.db2.gz YCNMJXWPHKOQIJ-UHFFFAOYSA-N -1 3 293.269 2.235 20 10 CECDHM CN1CCN(C(=O)/C=C/c2cncc([O-])c2)c2ccccc21 ZINC000182005294 344507216 /nfs/dbraw/zinc/50/72/16/344507216.db2.gz JSMJIQIVVIPCFJ-VOTSOKGWSA-N -1 3 295.342 2.283 20 10 CECDHM CCN(Cc1cc2c(cc1[O-])OCO2)CC(F)F ZINC000184093388 344508407 /nfs/dbraw/zinc/50/84/07/344508407.db2.gz WAYPJGGYUDKNCJ-UHFFFAOYSA-N -1 3 259.252 2.208 20 10 CECDHM CCC[N@H+](Cc1ccccc1[O-])[C@@H](CC)C(=O)[O-] ZINC000191414307 283297269 /nfs/dbraw/zinc/29/72/69/283297269.db2.gz NYDNPOMZOHZKCO-LBPRGKRZSA-N -1 3 251.326 2.467 20 10 CECDHM CCC[N@@H+](Cc1ccccc1[O-])[C@@H](CC)C(=O)[O-] ZINC000191414307 283297272 /nfs/dbraw/zinc/29/72/72/283297272.db2.gz NYDNPOMZOHZKCO-LBPRGKRZSA-N -1 3 251.326 2.467 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN(C)CC[C@H](C)O)c1[O-] ZINC000135821978 366474995 /nfs/dbraw/zinc/47/49/95/366474995.db2.gz XCTPEGDQZXIWKF-VIFPVBQESA-N -1 3 285.771 2.451 20 10 CECDHM COC(=O)c1ccc(CN(C)Cc2ccccc2[O-])o1 ZINC000111235934 364724405 /nfs/dbraw/zinc/72/44/05/364724405.db2.gz QUXXJMDCLFAPHM-UHFFFAOYSA-N -1 3 275.304 2.404 20 10 CECDHM COC(=O)c1occc1CN(C)Cc1ccccc1[O-] ZINC000111235729 364724611 /nfs/dbraw/zinc/72/46/11/364724611.db2.gz RSTJFUWAPLDWJM-UHFFFAOYSA-N -1 3 275.304 2.404 20 10 CECDHM COC(=O)C[C@@H]1CSCCN1Cc1cc(F)ccc1[O-] ZINC000180191148 368371980 /nfs/dbraw/zinc/37/19/80/368371980.db2.gz MCMCWNDOCSUJJZ-GFCCVEGCSA-N -1 3 299.367 2.012 20 10 CECDHM Cc1cc(Cl)cc(CN2CCC[C@H]2C(=O)N(C)C)c1[O-] ZINC000179637777 368345834 /nfs/dbraw/zinc/34/58/34/368345834.db2.gz KISJMOUQZHSGOR-ZDUSSCGKSA-N -1 3 296.798 2.407 20 10 CECDHM CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2ccccc2[O-])C1 ZINC000190144627 369599011 /nfs/dbraw/zinc/59/90/11/369599011.db2.gz GNUMFMBTXTXXMK-CHWSQXEVSA-N -1 3 289.335 2.046 20 10 CECDHM Cc1cc(Cl)cc(CN2CC(n3ccnn3)C2)c1[O-] ZINC000359996920 371497332 /nfs/dbraw/zinc/49/73/32/371497332.db2.gz SJUQYOXRAGMOLB-UHFFFAOYSA-N -1 3 278.743 2.002 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Cc2ccncc2)C1 ZINC000366157897 372993470 /nfs/dbraw/zinc/99/34/70/372993470.db2.gz MVFZHDRWBMAJEG-ZDUSSCGKSA-N -1 3 298.342 2.198 20 10 CECDHM O=C(Nc1cccc2c1OCCC2=O)c1cccc(O)c1[O-] ZINC000366172025 372996583 /nfs/dbraw/zinc/99/65/83/372996583.db2.gz OZTJAETXQDVVIB-UHFFFAOYSA-N -1 3 299.282 2.315 20 10 CECDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])CC2(CCOCC2)O1 ZINC000366732920 373115172 /nfs/dbraw/zinc/11/51/72/373115172.db2.gz YIYCFMMUBYVGCB-GFCCVEGCSA-N -1 3 295.354 2.301 20 10 CECDHM COC(=O)CN(Cc1c([O-])cccc1Cl)C1CC1 ZINC000271310763 373187190 /nfs/dbraw/zinc/18/71/90/373187190.db2.gz WYCYISZMNUHFMZ-UHFFFAOYSA-N -1 3 269.728 2.183 20 10 CECDHM CC[C@@H](NCc1nnc2n1CCC2)c1ccccc1[O-] ZINC000271710368 373197134 /nfs/dbraw/zinc/19/71/34/373197134.db2.gz OGRSJQWURRJHPC-GFCCVEGCSA-N -1 3 272.352 2.171 20 10 CECDHM C[C@H](NCc1nnc2n1CCC2)c1cc(Cl)ccc1[O-] ZINC000273361414 373753469 /nfs/dbraw/zinc/75/34/69/373753469.db2.gz DCEFCDYFQLTTFA-VIFPVBQESA-N -1 3 292.770 2.434 20 10 CECDHM CCn1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000273470912 373760310 /nfs/dbraw/zinc/76/03/10/373760310.db2.gz JUHWEJGCJHOFCT-SNVBAGLBSA-N -1 3 290.323 2.368 20 10 CECDHM [O-]c1c(F)cccc1CN1CCC(O)(C(F)(F)F)CC1 ZINC000274342435 373887236 /nfs/dbraw/zinc/88/72/36/373887236.db2.gz ISIGNAHRHGWPCL-UHFFFAOYSA-N -1 3 293.260 2.421 20 10 CECDHM Cc1cn2c(n1)CN(Cc1cc(F)ccc1[O-])CC2 ZINC000371674141 373945224 /nfs/dbraw/zinc/94/52/24/373945224.db2.gz DNKUKEVPCILSPL-UHFFFAOYSA-N -1 3 261.300 2.052 20 10 CECDHM COC(=O)[C@H]1C[C@@H](C)CCN1Cc1cc(F)ccc1[O-] ZINC000274895476 374085652 /nfs/dbraw/zinc/08/56/52/374085652.db2.gz FSDKHJHPBZQUHO-GXFFZTMASA-N -1 3 281.327 2.305 20 10 CECDHM O=C(N[C@@H]1CCc2ccccc2OC1)c1cccc(O)c1[O-] ZINC000374877800 374632381 /nfs/dbraw/zinc/63/23/81/374632381.db2.gz MNYOXWKSNHGOAB-GFCCVEGCSA-N -1 3 299.326 2.221 20 10 CECDHM CO[C@]1(C)CCCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000279990878 375055591 /nfs/dbraw/zinc/05/55/91/375055591.db2.gz LSJGEARBYGQDDX-MRXNPFEDSA-N -1 3 293.363 2.437 20 10 CECDHM CO[C@@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])[C@H](C)C1 ZINC000281842517 375398577 /nfs/dbraw/zinc/39/85/77/375398577.db2.gz SYRPJWNFRKFOSR-GHMZBOCLSA-N -1 3 279.336 2.046 20 10 CECDHM CC[C@@H](C)N(CC(=O)OC)Cc1ccccc1[O-] ZINC000281402561 375376377 /nfs/dbraw/zinc/37/63/77/375376377.db2.gz XRCBALWLMNVJPF-LLVKDONJSA-N -1 3 251.326 2.166 20 10 CECDHM COCCn1cc(CN[C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000282848852 375594282 /nfs/dbraw/zinc/59/42/82/375594282.db2.gz TZHUBANRNPDTER-NSHDSACASA-N -1 3 293.342 2.225 20 10 CECDHM CC[C@H](N[C@@H](C)c1ncnn1C)c1ccc(F)cc1[O-] ZINC000287385531 376220422 /nfs/dbraw/zinc/22/04/22/376220422.db2.gz ILYAREHWTBIBIW-CABZTGNLSA-N -1 3 278.331 2.462 20 10 CECDHM COc1c([O-])c(CN2CC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000294962956 378032758 /nfs/dbraw/zinc/03/27/58/378032758.db2.gz FAKAKJBXKKZBBE-JTQLQIEISA-N -1 3 298.364 2.246 20 10 CECDHM CCN(CC)C(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000109769036 394735141 /nfs/dbraw/zinc/73/51/41/394735141.db2.gz RRHBYVIVCJFHBJ-GFCCVEGCSA-N -1 3 264.369 2.081 20 10 CECDHM CCCOc1ccc(CN(CC)CC(=O)OC)c([O-])c1 ZINC000271144084 394748814 /nfs/dbraw/zinc/74/88/14/394748814.db2.gz GPRHRNLXQYKVOK-UHFFFAOYSA-N -1 3 281.352 2.176 20 10 CECDHM CN(Cc1cnn(C)c1)Cc1c([O-])cccc1Cl ZINC000119704497 394771401 /nfs/dbraw/zinc/77/14/01/394771401.db2.gz WFHRYEBKCNWOTL-UHFFFAOYSA-N -1 3 265.744 2.411 20 10 CECDHM [O-]c1c(F)cccc1CN1CCOCC12CCC2 ZINC000361909604 394838083 /nfs/dbraw/zinc/83/80/83/394838083.db2.gz VNBDKANHACVKSZ-UHFFFAOYSA-N -1 3 251.301 2.286 20 10 CECDHM CC(=O)N1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000133273471 394947875 /nfs/dbraw/zinc/94/78/75/394947875.db2.gz DMADFWFPIHLNNA-UHFFFAOYSA-N -1 3 282.771 2.100 20 10 CECDHM CN1CCc2cc(CNC(=O)c3cccc([O-])c3)ccc21 ZINC000372356972 395040554 /nfs/dbraw/zinc/04/05/54/395040554.db2.gz JYNLWBQMRKLZSY-UHFFFAOYSA-N -1 3 282.343 2.315 20 10 CECDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CC[S@](=O)C1 ZINC000375950186 395105519 /nfs/dbraw/zinc/10/55/19/395105519.db2.gz ZWZBSUYJWDCDMM-YPMLDQLKSA-N -1 3 287.812 2.246 20 10 CECDHM CCCN(Cc1ncnn1CC)Cc1ccccc1[O-] ZINC000193364961 395407258 /nfs/dbraw/zinc/40/72/58/395407258.db2.gz HXFHGVUDVFOHSC-UHFFFAOYSA-N -1 3 274.368 2.416 20 10 CECDHM O=C(C=Cc1c[nH]cn1)N1CCCc2cccc([O-])c21 ZINC000493848925 395676635 /nfs/dbraw/zinc/67/66/35/395676635.db2.gz QYBWXJYFHGUTSR-SREVYHEPSA-N -1 3 269.304 2.108 20 10 CECDHM C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126645251 260355306 /nfs/dbraw/zinc/35/53/06/260355306.db2.gz ISWNNDCOUCXOFK-NEPJUHHUSA-N -1 3 293.363 2.254 20 10 CECDHM NC(=O)CC1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000159795524 261194358 /nfs/dbraw/zinc/19/43/58/261194358.db2.gz STVDOXUTBJTEAK-UHFFFAOYSA-N -1 3 282.771 2.133 20 10 CECDHM CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(F)cc1[O-] ZINC000186029857 262076659 /nfs/dbraw/zinc/07/66/59/262076659.db2.gz OAINZQAJJNTLQL-ZJUUUORDSA-N -1 3 289.372 2.005 20 10 CECDHM C[C@@H](NCC(=O)NCC1CC1)c1cc(Cl)ccc1[O-] ZINC000186505113 262095302 /nfs/dbraw/zinc/09/53/02/262095302.db2.gz XXUTUSRTLOCXRN-SECBINFHSA-N -1 3 282.771 2.222 20 10 CECDHM CNC(=O)OC[C@@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000290213877 263115364 /nfs/dbraw/zinc/11/53/64/263115364.db2.gz QVCGJCBMOXOCTF-LBPRGKRZSA-N -1 3 296.342 2.242 20 10 CECDHM CC[C@@](C)(NCc1cc(F)cc(C(C)=O)c1[O-])C(=O)OC ZINC000293057859 263137757 /nfs/dbraw/zinc/13/77/57/263137757.db2.gz GHDWCWSZHAEFOP-OAHLLOKOSA-N -1 3 297.326 2.165 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H](CO)C1 ZINC000294333711 265011526 /nfs/dbraw/zinc/01/15/26/265011526.db2.gz ABPDFIMQMDJQFL-VIFPVBQESA-N -1 3 273.735 2.389 20 10 CECDHM [O-]c1ccc(Cl)c(F)c1CN1CCCOCC1 ZINC000377012227 268039781 /nfs/dbraw/zinc/03/97/81/268039781.db2.gz FCGZVQXAOQPAMX-UHFFFAOYSA-N -1 3 259.708 2.407 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@H]1[C@H]1CCCO1 ZINC000377707908 329026327 /nfs/dbraw/zinc/02/63/27/329026327.db2.gz WIZHMHRYUQUIMP-DZGCQCFKSA-N -1 3 297.782 2.425 20 10 CECDHM O=C1CN(Cc2ccccc2[O-])CCN1c1cccs1 ZINC000185669327 329328527 /nfs/dbraw/zinc/32/85/27/329328527.db2.gz DTLBGCHHHRCXFZ-UHFFFAOYSA-N -1 3 288.372 2.303 20 10 CECDHM CC[C@H](N[C@@H](C)c1ncn(C)n1)c1ccccc1[O-] ZINC000275720045 334794006 /nfs/dbraw/zinc/79/40/06/334794006.db2.gz NOWIRKOPFMWTEA-JQWIXIFHSA-N -1 3 260.341 2.323 20 10 CECDHM CC(C)n1cnnc1CN(C)Cc1cc(F)ccc1[O-] ZINC000292222746 520056793 /nfs/dbraw/zinc/05/67/93/520056793.db2.gz AINDGAVQMZNAKA-UHFFFAOYSA-N -1 3 278.331 2.336 20 10 CECDHM CCCOc1ccc(CN2C[C@@H](F)C[C@H]2CO)c([O-])c1 ZINC000364846789 520352939 /nfs/dbraw/zinc/35/29/39/520352939.db2.gz VINMQWFNWNCMAE-STQMWFEESA-N -1 3 283.343 2.086 20 10 CECDHM CC[C@H](N[C@@H](C)c1ncnn1C)c1ccccc1[O-] ZINC000276696456 522703956 /nfs/dbraw/zinc/70/39/56/522703956.db2.gz VHQVQCAZWHKUFU-JQWIXIFHSA-N -1 3 260.341 2.323 20 10 CECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1CC1 ZINC000127026631 523165731 /nfs/dbraw/zinc/16/57/31/523165731.db2.gz XUOCNEMYVTXBDY-UHFFFAOYSA-N -1 3 283.755 2.431 20 10 CECDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@]2(CCOC2)O1 ZINC000280331015 524609667 /nfs/dbraw/zinc/60/96/67/524609667.db2.gz RELRTFUZPIUTKB-NHYWBVRUSA-N -1 3 297.782 2.425 20 10 CECDHM [O-]c1ccc2ccccc2c1CN1CCn2cnnc2C1 ZINC000096477789 526356247 /nfs/dbraw/zinc/35/62/47/526356247.db2.gz ZBMOEDXLDVXOIQ-UHFFFAOYSA-N -1 3 280.331 2.153 20 10 CECDHM O=C(Nc1ccc2c(c1)OCO2)c1cc([O-])cs1 ZINC000731862008 574604142 /nfs/dbraw/zinc/60/41/42/574604142.db2.gz WMULEAVICVUTBN-UHFFFAOYSA-N -1 3 263.274 2.435 20 10 CECDHM O=C(CCNC(=O)c1cc([O-])cs1)NC1CCCCC1 ZINC000731870545 574604349 /nfs/dbraw/zinc/60/43/49/574604349.db2.gz PQOZQWIAKRPDIQ-UHFFFAOYSA-N -1 3 296.392 2.023 20 10 CECDHM COC(=O)c1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000731867885 574604914 /nfs/dbraw/zinc/60/49/14/574604914.db2.gz AGSYLIDIAXHIPK-UHFFFAOYSA-N -1 3 291.328 2.170 20 10 CECDHM COc1ccc(OC)c(CNC(=O)c2cc([O-])cs2)c1 ZINC000731867922 574605067 /nfs/dbraw/zinc/60/50/67/574605067.db2.gz CEFNTSWZAYMTHA-UHFFFAOYSA-N -1 3 293.344 2.401 20 10 CECDHM CC(C)N(C(=O)COC(=O)c1cc([O-])cs1)C(C)C ZINC000731909830 574605671 /nfs/dbraw/zinc/60/56/71/574605671.db2.gz LLGMABHHITZFSY-UHFFFAOYSA-N -1 3 285.365 2.256 20 10 CECDHM CNC(=O)Nc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000732266519 574616511 /nfs/dbraw/zinc/61/65/11/574616511.db2.gz FGAAEYBSSWAQIH-UHFFFAOYSA-N -1 3 291.332 2.457 20 10 CECDHM COC(=O)c1oc(COC(=O)c2cc([O-])cs2)cc1C ZINC000732352708 574619489 /nfs/dbraw/zinc/61/94/89/574619489.db2.gz CPQICURENHFJNP-UHFFFAOYSA-N -1 3 296.300 2.499 20 10 CECDHM O=C(Nc1cnn(-c2ccccn2)c1)c1cc([O-])cs1 ZINC000740141919 574945144 /nfs/dbraw/zinc/94/51/44/574945144.db2.gz ACIOIIDXVWDZDM-UHFFFAOYSA-N -1 3 286.316 2.287 20 10 CECDHM O=C([O-])N1CCCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000740516118 574957290 /nfs/dbraw/zinc/95/72/90/574957290.db2.gz LIQXMVGNRHWNDW-LBPRGKRZSA-N -1 3 264.325 2.014 20 10 CECDHM CC(C)CC[C@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000743718066 575109257 /nfs/dbraw/zinc/10/92/57/575109257.db2.gz LBKLWUXCGVUTHD-ZDUSSCGKSA-N -1 3 271.382 2.371 20 10 CECDHM Cc1[nH]nc2ncc(NC(=O)c3cc([O-])cs3)cc12 ZINC000748297768 575182321 /nfs/dbraw/zinc/18/23/21/575182321.db2.gz VYPDUUSOBSXLPU-UHFFFAOYSA-N -1 3 274.305 2.286 20 10 CECDHM CC1([C@H]2CCCN(C(=O)c3cc([O-])cs3)C2)OCCO1 ZINC000753523009 575328766 /nfs/dbraw/zinc/32/87/66/575328766.db2.gz HKIPVDNLFFCTQA-JTQLQIEISA-N -1 3 297.376 2.069 20 10 CECDHM Cn1c(=O)oc2c1cccc2NC(=O)c1cc([O-])cs1 ZINC000753843936 575344939 /nfs/dbraw/zinc/34/49/39/575344939.db2.gz ZBEOHNGSEQYQDO-UHFFFAOYSA-N -1 3 290.300 2.151 20 10 CECDHM Cc1cc(Br)cc(C[NH2+][C@H](C)C(=O)[O-])c1[O-] ZINC000820954171 598198280 /nfs/dbraw/zinc/19/82/80/598198280.db2.gz PRSFBFLYGCBSHU-SSDOTTSWSA-N -1 3 288.141 2.026 20 10 CECDHM Cc1cccc(CNc2cccc(-c3nnn[n-]3)c2)c1O ZINC000158018494 609473080 /nfs/dbraw/zinc/47/30/80/609473080.db2.gz AMASPNIJQOAIEV-UHFFFAOYSA-N -1 3 281.319 2.493 20 10 CECDHM Cc1cccc(CNc2cccc(-c3nn[n-]n3)c2)c1O ZINC000158018494 609473084 /nfs/dbraw/zinc/47/30/84/609473084.db2.gz AMASPNIJQOAIEV-UHFFFAOYSA-N -1 3 281.319 2.493 20 10 CECDHM COCc1nc(C)cc(NCc2c([O-])cccc2F)n1 ZINC000895832833 630369910 /nfs/dbraw/zinc/36/99/10/630369910.db2.gz NMYGUXDTNNUERO-UHFFFAOYSA-N -1 3 277.299 2.388 20 10 CECDHM COCC1CN(Cc2ccc(Br)cc2[O-])C1 ZINC000895975165 630425645 /nfs/dbraw/zinc/42/56/45/630425645.db2.gz QBOHXOZLXNWVJI-UHFFFAOYSA-N -1 3 286.169 2.233 20 10 CECDHM O=C(CC(F)(F)F)NCc1c([O-])cccc1F ZINC000928710278 631130486 /nfs/dbraw/zinc/13/04/86/631130486.db2.gz AAAMTNNNAQSUTI-UHFFFAOYSA-N -1 3 251.179 2.100 20 10 CECDHM C[C@H](NCc1cnn(C)n1)c1cc(Cl)ccc1[O-] ZINC000806167277 631722857 /nfs/dbraw/zinc/72/28/57/631722857.db2.gz PTQMVOJOKQQBAU-QMMMGPOBSA-N -1 3 266.732 2.025 20 10 CECDHM CSc1cccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000807783113 631870382 /nfs/dbraw/zinc/87/03/82/631870382.db2.gz HTTDOKKJRSAGPO-UHFFFAOYSA-N -1 3 276.317 2.467 20 10 CECDHM CC[C@@H](NCC(F)(F)CN)c1ccc(F)cc1[O-] ZINC000817967403 633809880 /nfs/dbraw/zinc/80/98/80/633809880.db2.gz HIESICWAUUOOJP-SNVBAGLBSA-N -1 3 262.275 2.166 20 10 CECDHM COc1nn(C)cc1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000903337360 635068029 /nfs/dbraw/zinc/06/80/29/635068029.db2.gz IVVBPNABEDMRHE-SECBINFHSA-N -1 3 279.315 2.124 20 10 CECDHM Cc1cc([O-])c(CN2CCNC(=O)[C@@H]2C(C)C)cc1Cl ZINC000824709913 635482789 /nfs/dbraw/zinc/48/27/89/635482789.db2.gz QRNWTTDHUBDZLK-AWEZNQCLSA-N -1 3 296.798 2.310 20 10 CECDHM COC(=O)[C@@H](C)NCc1cc(Cl)c(C)cc1[O-] ZINC000825748457 635707654 /nfs/dbraw/zinc/70/76/54/635707654.db2.gz BNTXRNSHHJOXIT-MRVPVSSYSA-N -1 3 257.717 2.005 20 10 CECDHM Cc1cc([O-])c(CN2C[C@@H]3C[C@H]2C[S@]3=O)cc1Cl ZINC000826143295 635767313 /nfs/dbraw/zinc/76/73/13/635767313.db2.gz WPFRONVXCUQGFB-LDLUMPKVSA-N -1 3 285.796 2.059 20 10 CECDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000905148944 635848720 /nfs/dbraw/zinc/84/87/20/635848720.db2.gz PYGISMXGIXPDJS-QMMMGPOBSA-N -1 3 252.289 2.129 20 10 CECDHM COCc1nnc(C[NH2+]Cc2ccc3ccccc3c2[O-])[n-]1 ZINC000827006407 636187418 /nfs/dbraw/zinc/18/74/18/636187418.db2.gz QSCKFSRFZSBGJV-UHFFFAOYSA-N -1 3 298.346 2.100 20 10 CECDHM Cn1nc(C2CC2)cc1C(=O)NCc1c([O-])cccc1F ZINC000830181190 637002251 /nfs/dbraw/zinc/00/22/51/637002251.db2.gz XXHWVTNTQYKGBO-UHFFFAOYSA-N -1 3 289.310 2.072 20 10 CECDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](CO)C(C)C ZINC000834053059 637757313 /nfs/dbraw/zinc/75/73/13/637757313.db2.gz LQDAPRWLXUMKSF-GXTWGEPZSA-N -1 3 295.379 2.117 20 10 CECDHM COc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000126206734 650471441 /nfs/dbraw/zinc/47/14/41/650471441.db2.gz WXFICUSZKOPSAC-UHFFFAOYSA-N -1 3 273.288 2.036 20 10 CECDHM COCCOC1CN(Cc2c([O-])cc(C)cc2Cl)C1 ZINC000840936942 639592693 /nfs/dbraw/zinc/59/26/93/639592693.db2.gz OBIBVQCTELPAFV-UHFFFAOYSA-N -1 3 285.771 2.201 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@@H](C)C[C@H]2C(N)=O)c(Cl)c1 ZINC000840939258 639593711 /nfs/dbraw/zinc/59/37/11/639593711.db2.gz LRCYKKIQUVKECI-RNCFNFMXSA-N -1 3 296.798 2.440 20 10 CECDHM COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1[O-] ZINC000229118057 639677262 /nfs/dbraw/zinc/67/72/62/639677262.db2.gz FDRSPHAVGHFRCV-VIFPVBQESA-N -1 3 299.754 2.351 20 10 CECDHM COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1[O-] ZINC000229118057 639677263 /nfs/dbraw/zinc/67/72/63/639677263.db2.gz FDRSPHAVGHFRCV-VIFPVBQESA-N -1 3 299.754 2.351 20 10 CECDHM COc1cccc(CNC(=O)c2ccccc2[O-])c1O ZINC000068488692 641425845 /nfs/dbraw/zinc/42/58/45/641425845.db2.gz ZYVAGDQSLRSYKR-UHFFFAOYSA-N -1 3 273.288 2.036 20 10 CECDHM Cc1ccc(C(=O)Nc2cccnc2N(C)C)c([O-])c1O ZINC000182164601 641628274 /nfs/dbraw/zinc/62/82/74/641628274.db2.gz GYINKGQZCZMIRM-UHFFFAOYSA-N -1 3 287.319 2.120 20 10 CECDHM [O-]c1c(CN[C@@H](CCO)c2ccco2)ccc(F)c1F ZINC000877397065 650705504 /nfs/dbraw/zinc/70/55/04/650705504.db2.gz CTFODBSNKOWKPT-NSHDSACASA-N -1 3 283.274 2.477 20 10 CECDHM C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1cc(Cl)ccc1[O-] ZINC000769464747 642135437 /nfs/dbraw/zinc/13/54/37/642135437.db2.gz AABIPSPIBYVNPX-AUSHCKSDSA-N -1 3 287.812 2.387 20 10 CECDHM CC[C@H](NCc1cn(CC)nn1)c1ccc(F)cc1[O-] ZINC000850522179 642739156 /nfs/dbraw/zinc/73/91/56/642739156.db2.gz GQWSQVVJTHHIOI-ZDUSSCGKSA-N -1 3 278.331 2.384 20 10 CECDHM O=C(NCCCCF)NCc1c([O-])cccc1F ZINC000922556925 643126530 /nfs/dbraw/zinc/12/65/30/643126530.db2.gz KHGSUZSPAGTSPT-UHFFFAOYSA-N -1 3 258.268 2.080 20 10 CECDHM O=C(NCc1ccccc1O)c1cc(=O)c2ccccc2[n-]1 ZINC000769365744 646252021 /nfs/dbraw/zinc/25/20/21/646252021.db2.gz RZCVJDUKJUYCOS-UHFFFAOYSA-N -1 3 294.310 2.164 20 10 CECDHM C[C@H](C[S@@](C)=O)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000776521225 647067646 /nfs/dbraw/zinc/06/76/46/647067646.db2.gz MTEGTTYOVKBNKL-NTCNTBNZSA-N -1 3 293.791 2.384 20 10 CECDHM O=C(NCCc1cccc(F)c1F)c1cccc(O)c1[O-] ZINC000790708375 648441506 /nfs/dbraw/zinc/44/15/06/648441506.db2.gz UVADHGTXKPIRTH-UHFFFAOYSA-N -1 3 293.269 2.349 20 10 CECDHM COc1ccc(CNC(=O)c2cccc(O)c2[O-])c(C)c1 ZINC000790891998 648458623 /nfs/dbraw/zinc/45/86/23/648458623.db2.gz SSBNNJCCJMDLPD-UHFFFAOYSA-N -1 3 287.315 2.345 20 10 CECDHM O=C(N[C@H](c1cccnc1)C1CC1)c1cccc(O)c1[O-] ZINC000790904924 648460128 /nfs/dbraw/zinc/46/01/28/648460128.db2.gz HXLIWRSTSDYPPM-AWEZNQCLSA-N -1 3 284.315 2.374 20 10 CECDHM CO[C@@H]1Cc2ccc(NC(=O)c3cccc(O)c3[O-])cc2C1 ZINC000790927113 648460940 /nfs/dbraw/zinc/46/09/40/648460940.db2.gz DCHVMKUUVIQWSO-CYBMUJFWSA-N -1 3 299.326 2.464 20 10 CECDHM CC1(C)OCC(NCc2c([O-])ccc(Cl)c2F)CO1 ZINC000790986725 648468429 /nfs/dbraw/zinc/46/84/29/648468429.db2.gz UIVFRKJJRZCUNU-UHFFFAOYSA-N -1 3 289.734 2.426 20 10 CECDHM C[C@@H]1C[C@H](O)CN1Cc1c([O-])ccc(Cl)c1F ZINC000792178050 648619876 /nfs/dbraw/zinc/61/98/76/648619876.db2.gz BMONHJFPXHJTOK-SFYZADRCSA-N -1 3 259.708 2.140 20 10 CECDHM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CC[C@@H]1O ZINC000792181283 648620397 /nfs/dbraw/zinc/62/03/97/648620397.db2.gz ZSBVEHBTXQHOGB-KWQFWETISA-N -1 3 273.735 2.387 20 10 CECDHM C[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)[C@H]1CO ZINC000792181184 648620463 /nfs/dbraw/zinc/62/04/63/648620463.db2.gz XPCJLWNDQXWDIH-KWQFWETISA-N -1 3 273.735 2.387 20 10 CECDHM COc1ccc(CNC(=O)c2ccc(C)cc2[O-])c(O)c1 ZINC000794374930 648858866 /nfs/dbraw/zinc/85/88/66/648858866.db2.gz ZPRILJUKAXFGBD-UHFFFAOYSA-N -1 3 287.315 2.345 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1[O-] ZINC000715518050 814971614 /nfs/dbraw/zinc/97/16/14/814971614.db2.gz ZISORVSGFCYDHZ-TXEJJXNPSA-N -1 3 285.265 2.431 20 10 CECDHM CCN1CCN(Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC000703488889 809652819 /nfs/dbraw/zinc/65/28/19/809652819.db2.gz BTUNLBKSNOAUGH-JTQLQIEISA-N -1 3 270.323 2.196 20 10 CECDHM C[C@H](NCc1cc(F)cc(F)c1[O-])C(=O)NC(C)(C)C ZINC000708393907 809929018 /nfs/dbraw/zinc/92/90/18/809929018.db2.gz LRPNPOZTSCNIQV-QMMMGPOBSA-N -1 3 286.322 2.063 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000708413720 809929716 /nfs/dbraw/zinc/92/97/16/809929716.db2.gz NFVMNUXKWRVKRX-RNCFNFMXSA-N -1 3 269.291 2.281 20 10 CECDHM C[C@H](CCCC(C)(C)O)NC(=O)c1cccc(O)c1[O-] ZINC001148219843 814538594 /nfs/dbraw/zinc/53/85/94/814538594.db2.gz BEOXYBDNGOCYNU-SNVBAGLBSA-N -1 3 281.352 2.157 20 10 CECDHM O=C(Nc1scnc1C1CC1)c1cc(O)c([O-])c(O)c1 ZINC001148581860 814590447 /nfs/dbraw/zinc/59/04/47/814590447.db2.gz DLZNIAVDYBONHK-UHFFFAOYSA-N -1 3 292.316 2.390 20 10 CECDHM CCOC(=O)[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684169 814750261 /nfs/dbraw/zinc/75/02/61/814750261.db2.gz RLVFMCVALOYKPP-VIFPVBQESA-N -1 3 285.290 2.055 20 10 CECDHM CCOC(=O)CCN(C)Cc1c(F)ccc(F)c1[O-] ZINC001139684434 816082108 /nfs/dbraw/zinc/08/21/08/816082108.db2.gz UIALYKSZQZMIDX-UHFFFAOYSA-N -1 3 273.279 2.055 20 10 CECDHM CCC1(O)CCN(Cc2c([O-])c(F)ccc2F)CC1 ZINC001139685239 816082538 /nfs/dbraw/zinc/08/25/38/816082538.db2.gz BXDDNYZPDUDPBG-UHFFFAOYSA-N -1 3 271.307 2.407 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CC(O)(C(F)(F)F)C1 ZINC001140338194 816237342 /nfs/dbraw/zinc/23/73/42/816237342.db2.gz ZQJDSZUVBOTROA-UHFFFAOYSA-N -1 3 281.661 2.155 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1C[C@H]2CC[C@@H]1CO2 ZINC001140468803 816262220 /nfs/dbraw/zinc/26/22/20/816262220.db2.gz YHOIHEXNDWDOFN-VXGBXAGGSA-N -1 3 253.729 2.409 20 10 CECDHM C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CCCO1 ZINC001142508831 816676849 /nfs/dbraw/zinc/67/68/49/816676849.db2.gz NCFCVVATAHHWAZ-VIFPVBQESA-N -1 3 257.280 2.281 20 10 CECDHM O=C(CNCc1cc(Cl)cc(Cl)c1[O-])NC1CC1 ZINC000036782422 361858444 /nfs/dbraw/zinc/85/84/44/361858444.db2.gz HTNBVEDNUOCVEJ-UHFFFAOYSA-N -1 3 289.162 2.067 20 10 CECDHM C[C@H](N[C@@H]1COC[C@H]1O)c1cc(Cl)c(Cl)cc1[O-] ZINC000296048838 344695326 /nfs/dbraw/zinc/69/53/26/344695326.db2.gz UYTKFSKIBQWVCK-ISROVCFRSA-N -1 3 292.162 2.109 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCC[C@@H](CO)C1 ZINC000154597549 366780757 /nfs/dbraw/zinc/78/07/57/366780757.db2.gz ADIQKCAZCFJNSG-SNVBAGLBSA-N -1 3 255.745 2.250 20 10 CECDHM C[C@]1(O)CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000180183244 368371930 /nfs/dbraw/zinc/37/19/30/368371930.db2.gz CXUNEILEADBXNA-LBPRGKRZSA-N -1 3 286.169 2.111 20 10 CECDHM O=C(NC1CC1)[C@@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC000179726646 368348081 /nfs/dbraw/zinc/34/80/81/368348081.db2.gz NYWSJKUWHNEKEG-ZDUSSCGKSA-N -1 3 294.782 2.289 20 10 CECDHM CCCCOC(=O)CN(C)Cc1ccccc1[O-] ZINC000269663241 372525645 /nfs/dbraw/zinc/52/56/45/372525645.db2.gz USTIHBOSKZZOGX-UHFFFAOYSA-N -1 3 251.326 2.167 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](n2cncn2)C1 ZINC000364505089 372743012 /nfs/dbraw/zinc/74/30/12/372743012.db2.gz DGDKKIGRJXVADM-LLVKDONJSA-N -1 3 278.743 2.084 20 10 CECDHM CCCCN1CC(=O)N[C@@H]1c1cc(Cl)cc(OC)c1[O-] ZINC000273477941 373759223 /nfs/dbraw/zinc/75/92/23/373759223.db2.gz IFKFWFIOFQAWID-AWEZNQCLSA-N -1 3 298.770 2.285 20 10 CECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2c[nH]nc2C)c1 ZINC000273539510 373762136 /nfs/dbraw/zinc/76/21/36/373762136.db2.gz XZUXJPIYJLBESL-SNVBAGLBSA-N -1 3 289.335 2.061 20 10 CECDHM C[C@@H](N[C@@H](C)c1cnn(C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273620693 373768704 /nfs/dbraw/zinc/76/87/04/373768704.db2.gz YZIQLTDDYXBBLV-VHSXEESVSA-N -1 3 290.323 2.446 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@@]2(CCOC2)C1 ZINC000274416722 373913219 /nfs/dbraw/zinc/91/32/19/373913219.db2.gz KHIAVCIXDUVKGN-AWEZNQCLSA-N -1 3 283.755 2.037 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCn2c(C)nnc2C1 ZINC000372590671 374163715 /nfs/dbraw/zinc/16/37/15/374163715.db2.gz FYXHWXDMNRJYGQ-CYBMUJFWSA-N -1 3 272.352 2.259 20 10 CECDHM CC(C)(NC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000393853741 803569235 /nfs/dbraw/zinc/56/92/35/803569235.db2.gz BSVKIFYWALMKKN-UHFFFAOYSA-N -1 3 263.215 2.169 20 10 CECDHM Cc1cc(C)c([C@H](C)NCC(F)(F)CO)c([O-])c1 ZINC000285087009 375836695 /nfs/dbraw/zinc/83/66/95/375836695.db2.gz JUTUEDLYOJXLQN-JTQLQIEISA-N -1 3 259.296 2.287 20 10 CECDHM CC(C)n1cc(CN(C)Cc2ccccc2[O-])nn1 ZINC000289009396 376384817 /nfs/dbraw/zinc/38/48/17/376384817.db2.gz FNFMWYIRZOTGGU-UHFFFAOYSA-N -1 3 260.341 2.197 20 10 CECDHM CSC[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000294701218 378014268 /nfs/dbraw/zinc/01/42/68/378014268.db2.gz QZCJEXMFFMIWDZ-SNVBAGLBSA-N -1 3 281.377 2.313 20 10 CECDHM CCN(C)C(=O)[C@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000294625469 378001493 /nfs/dbraw/zinc/00/14/93/378001493.db2.gz JJTMHQGWTZBJIM-QMMMGPOBSA-N -1 3 288.750 2.141 20 10 CECDHM C[C@@]1(F)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000295214195 378053160 /nfs/dbraw/zinc/05/31/60/378053160.db2.gz AUULAFYKVPOCTF-CYBMUJFWSA-N -1 3 253.273 2.062 20 10 CECDHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCOC1 ZINC000295228527 378061082 /nfs/dbraw/zinc/06/10/82/378061082.db2.gz CPLYNSMKOGYGJI-SECBINFHSA-N -1 3 259.708 2.405 20 10 CECDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Cl)CCO1 ZINC000529667139 380183373 /nfs/dbraw/zinc/18/33/73/380183373.db2.gz RCOZWSVLHPADEE-NSHDSACASA-N -1 3 285.771 2.283 20 10 CECDHM [O-]c1cccc2c1[C@H](NCc1nnc3n1CCCCC3)CC2 ZINC000296081228 285397585 /nfs/dbraw/zinc/39/75/85/285397585.db2.gz SPWWJESOMPBRQT-CYBMUJFWSA-N -1 3 298.390 2.487 20 10 CECDHM CC[C@H]1C(=O)NCCN1Cc1c([O-])ccc2ccccc21 ZINC000106855449 394725790 /nfs/dbraw/zinc/72/57/90/394725790.db2.gz GACDJKGFAQPAQS-HNNXBMFYSA-N -1 3 284.359 2.256 20 10 CECDHM CC[C@@H](NCCS(C)(=O)=O)c1cccc(Cl)c1[O-] ZINC000287314619 395038209 /nfs/dbraw/zinc/03/82/09/395038209.db2.gz DBICOFDUCGZJCE-LLVKDONJSA-N -1 3 291.800 2.131 20 10 CECDHM Cc1nnsc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293730203 395249263 /nfs/dbraw/zinc/24/92/63/395249263.db2.gz QACDFVVSUQTOFC-ZETCQYMHSA-N -1 3 294.336 2.311 20 10 CECDHM CN(Cc1ccccc1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000179560768 395195503 /nfs/dbraw/zinc/19/55/03/395195503.db2.gz RRVNNBMKZFSZFA-HIFRSBDPSA-N -1 3 297.420 2.180 20 10 CECDHM Cc1ccc(C(=O)N2CCS[C@H](C)[C@@H]2C)c([O-])c1O ZINC000179507710 395195672 /nfs/dbraw/zinc/19/56/72/395195672.db2.gz XSMIGBGJZGJTLL-VHSXEESVSA-N -1 3 281.377 2.372 20 10 CECDHM CCN(Cc1ccccc1[O-])[C@H](C)CS(=O)(=O)CC ZINC000179575261 395196925 /nfs/dbraw/zinc/19/69/25/395196925.db2.gz DGSRYLAUPYWZHJ-GFCCVEGCSA-N -1 3 285.409 2.037 20 10 CECDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)OC[C@@H]2C)c1[O-] ZINC000218348661 400308676 /nfs/dbraw/zinc/30/86/76/400308676.db2.gz HGGGFZFMYJEXCI-UWVGGRQHSA-N -1 3 281.327 2.343 20 10 CECDHM CCCNC(=O)CN[C@H](C)c1cc(Cl)ccc1[O-] ZINC000184881672 262032584 /nfs/dbraw/zinc/03/25/84/262032584.db2.gz MHRJSXQQZCAINT-SECBINFHSA-N -1 3 270.760 2.222 20 10 CECDHM CCN(C)C(=O)[C@H](C)NCc1cccc(Cl)c1[O-] ZINC000188486232 262157115 /nfs/dbraw/zinc/15/71/15/262157115.db2.gz KSDOEVQREDAPBJ-VIFPVBQESA-N -1 3 270.760 2.002 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]3COC[C@H]32)c1[O-] ZINC000370233904 267300982 /nfs/dbraw/zinc/30/09/82/267300982.db2.gz UFRKLISJUARWTF-XHDPSFHLSA-N -1 3 293.338 2.345 20 10 CECDHM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])C1(C)C ZINC000185716699 327842852 /nfs/dbraw/zinc/84/28/52/327842852.db2.gz GUSSLHRGMOMTSE-STQMWFEESA-N -1 3 293.363 2.373 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2COc3ccccc3C2)c([O-])c1O ZINC000181986744 329238615 /nfs/dbraw/zinc/23/86/15/329238615.db2.gz QJAIGSGSEAAPSG-LBPRGKRZSA-N -1 3 299.326 2.140 20 10 CECDHM [O-]c1c(Cl)cccc1CNC[C@H](O)C(F)(F)F ZINC000224554557 329244697 /nfs/dbraw/zinc/24/46/97/329244697.db2.gz LXOLDDONLULRQL-QMMMGPOBSA-N -1 3 269.650 2.058 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Nc2ccccc2)C1 ZINC000187066580 329351806 /nfs/dbraw/zinc/35/18/06/329351806.db2.gz CPNGPRRFNVJEPA-CYBMUJFWSA-N -1 3 298.342 2.424 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000167857896 331308457 /nfs/dbraw/zinc/30/84/57/331308457.db2.gz GBQVITFSKDDJOC-GXSJLCMTSA-N -1 3 297.782 2.451 20 10 CECDHM C[C@H]1CC(F)(F)CCN1C(=O)c1cccc(O)c1[O-] ZINC000530008409 333518309 /nfs/dbraw/zinc/51/83/09/333518309.db2.gz HTFXRPFFMOQYJV-QMMMGPOBSA-N -1 3 271.263 2.358 20 10 CECDHM CN(CCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000127920049 522882634 /nfs/dbraw/zinc/88/26/34/522882634.db2.gz YZDVYSZFZWUSKO-UHFFFAOYSA-N -1 3 250.125 2.123 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCn2cncc2C1 ZINC000291702647 526362692 /nfs/dbraw/zinc/36/26/92/526362692.db2.gz ZEGUNRQEEPGIDR-UHFFFAOYSA-N -1 3 263.728 2.258 20 10 CECDHM CC(=O)Nc1cccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000731869456 574604887 /nfs/dbraw/zinc/60/48/87/574604887.db2.gz IEFRUTCQOXUHSQ-UHFFFAOYSA-N -1 3 290.344 2.342 20 10 CECDHM C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cc([O-])cs2)C1 ZINC000731910759 574605570 /nfs/dbraw/zinc/60/55/70/574605570.db2.gz BVAAVTRBXRFYDR-UWVGGRQHSA-N -1 3 297.376 2.115 20 10 CECDHM O=C(COC(=O)c1cc([O-])cs1)NC1CCCCCC1 ZINC000731909099 574605669 /nfs/dbraw/zinc/60/56/69/574605669.db2.gz AFWCNSMBMRMJRZ-UHFFFAOYSA-N -1 3 297.376 2.450 20 10 CECDHM CN(Cc1cccc(O)c1)C(=O)c1cc([O-])cs1 ZINC000732274554 574617257 /nfs/dbraw/zinc/61/72/57/574617257.db2.gz VMQWRLKVIRSKRD-UHFFFAOYSA-N -1 3 263.318 2.432 20 10 CECDHM O=C(NCCOC1CCCC1)c1cc([O-])cs1 ZINC000732274468 574617310 /nfs/dbraw/zinc/61/73/10/574617310.db2.gz TXLRVFUOJILHLU-UHFFFAOYSA-N -1 3 255.339 2.143 20 10 CECDHM CC[C@H]1CN(C(=O)c2cc([O-])cs2)C[C@@H](C)O1 ZINC000732301705 574617703 /nfs/dbraw/zinc/61/77/03/574617703.db2.gz GTDGNVRAKDBQDW-SCZZXKLOSA-N -1 3 255.339 2.093 20 10 CECDHM CC(C)C[C@@H]1COCCN1C(=O)c1cc([O-])cs1 ZINC000733810033 574687317 /nfs/dbraw/zinc/68/73/17/574687317.db2.gz QLDOVQXJGRZCLA-SNVBAGLBSA-N -1 3 269.366 2.341 20 10 CECDHM COC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736938632 574800149 /nfs/dbraw/zinc/80/01/49/574800149.db2.gz AHEIVJACRIJTSK-UHFFFAOYSA-N -1 3 297.318 2.061 20 10 CECDHM COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736938632 574800150 /nfs/dbraw/zinc/80/01/50/574800150.db2.gz AHEIVJACRIJTSK-UHFFFAOYSA-N -1 3 297.318 2.061 20 10 CECDHM CN(Cc1cc(C(=O)[O-])co1)Cc1ccccc1O ZINC000737454621 574834891 /nfs/dbraw/zinc/83/48/91/574834891.db2.gz XGXFZLNILSIHPD-UHFFFAOYSA-N -1 3 261.277 2.315 20 10 CECDHM CCOc1ccc([C@@H]2NC3(CCCC3)C(=O)N2C)c([O-])c1 ZINC000742441889 575022213 /nfs/dbraw/zinc/02/22/13/575022213.db2.gz LYVZUJDHXIFHOL-CQSZACIVSA-N -1 3 290.363 2.164 20 10 CECDHM CCOC(=O)[C@H](CC1CC1)NCc1ccccc1[O-] ZINC000753567694 575330294 /nfs/dbraw/zinc/33/02/94/575330294.db2.gz HKNOYABIVWWYMM-ZDUSSCGKSA-N -1 3 263.337 2.214 20 10 CECDHM O=C([O-])CCCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000821516337 598212868 /nfs/dbraw/zinc/21/28/68/598212868.db2.gz SUDZODKAHGPVAE-UHFFFAOYSA-N -1 3 255.289 2.266 20 10 CECDHM O=C([O-])N1CCC([N@H+](Cc2ccccc2[O-])C2CC2)CC1 ZINC000834081833 605692985 /nfs/dbraw/zinc/69/29/85/605692985.db2.gz BSUNJCRFTAMLSG-UHFFFAOYSA-N -1 3 290.363 2.499 20 10 CECDHM O=C([O-])N1CCC([N@@H+](Cc2ccccc2[O-])C2CC2)CC1 ZINC000834081833 605692987 /nfs/dbraw/zinc/69/29/87/605692987.db2.gz BSUNJCRFTAMLSG-UHFFFAOYSA-N -1 3 290.363 2.499 20 10 CECDHM CN(Cc1ccccc1O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825980913 608016054 /nfs/dbraw/zinc/01/60/54/608016054.db2.gz LQTZFCHPVKUDHR-UHFFFAOYSA-N -1 3 299.309 2.348 20 10 CECDHM CN(Cc1ccccc1O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825980913 608016055 /nfs/dbraw/zinc/01/60/55/608016055.db2.gz LQTZFCHPVKUDHR-UHFFFAOYSA-N -1 3 299.309 2.348 20 10 CECDHM CO[N-]C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000820844486 634548768 /nfs/dbraw/zinc/54/87/68/634548768.db2.gz HRZHCONJGYJDMK-UHFFFAOYSA-N -1 3 258.321 2.314 20 10 CECDHM C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1C(=O)[O-] ZINC000311402402 627658817 /nfs/dbraw/zinc/65/88/17/627658817.db2.gz VOGLVGPFZYPHDD-BXKDBHETSA-N -1 3 267.300 2.074 20 10 CECDHM C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1C(=O)[O-] ZINC000311402402 627658821 /nfs/dbraw/zinc/65/88/21/627658821.db2.gz VOGLVGPFZYPHDD-BXKDBHETSA-N -1 3 267.300 2.074 20 10 CECDHM CC[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1O ZINC000775744007 628335047 /nfs/dbraw/zinc/33/50/47/628335047.db2.gz IUZGPEAUTYMTSY-UFBFGSQYSA-N -1 3 273.735 2.387 20 10 CECDHM CC[C@H](NCc1cc(C(N)=O)co1)c1ccc(F)cc1[O-] ZINC000796954876 630082953 /nfs/dbraw/zinc/08/29/53/630082953.db2.gz RAVVNWPVEVAEKF-ZDUSSCGKSA-N -1 3 292.310 2.464 20 10 CECDHM Cn1nc2c(c1CNCc1c([O-])cccc1F)CCCC2 ZINC000896638917 630621508 /nfs/dbraw/zinc/62/15/08/630621508.db2.gz COSWGAHWAZHPTA-UHFFFAOYSA-N -1 3 289.354 2.433 20 10 CECDHM Cn1nc(C(=O)NCc2c([O-])cccc2F)cc1C1CC1 ZINC000928705848 631128403 /nfs/dbraw/zinc/12/84/03/631128403.db2.gz OEHUQXLSQOEXQD-UHFFFAOYSA-N -1 3 289.310 2.072 20 10 CECDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])c1cccnc1 ZINC000839910765 631136753 /nfs/dbraw/zinc/13/67/53/631136753.db2.gz WJJSCUFIWUTPJS-UHFFFAOYSA-N -1 3 286.331 2.200 20 10 CECDHM CC(C)(/C=C\Cl)NC(=O)c1cccc(O)c1[O-] ZINC000928930441 631212694 /nfs/dbraw/zinc/21/26/94/631212694.db2.gz PISGCBRGZXVUBI-SREVYHEPSA-N -1 3 255.701 2.359 20 10 CECDHM COc1nn(C)cc1CNCc1c([O-])ccc(Cl)c1F ZINC000898025451 632019618 /nfs/dbraw/zinc/01/96/18/632019618.db2.gz HIBOLWGMFYXDPK-UHFFFAOYSA-N -1 3 299.733 2.217 20 10 CECDHM COCCOCCN(C)Cc1c([O-])ccc(Cl)c1F ZINC000809790089 632146766 /nfs/dbraw/zinc/14/67/66/632146766.db2.gz XMDMWMATBFDLCA-UHFFFAOYSA-N -1 3 291.750 2.280 20 10 CECDHM Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)OC3)c([O-])c1O ZINC000813872064 632750545 /nfs/dbraw/zinc/75/05/45/632750545.db2.gz YISFPGMJFBSQHG-UHFFFAOYSA-N -1 3 299.282 2.329 20 10 CECDHM CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c([O-])c1 ZINC000818631026 633966354 /nfs/dbraw/zinc/96/63/54/633966354.db2.gz AGOMPPBHQCUDRM-IAQYHMDHSA-N -1 3 293.363 2.476 20 10 CECDHM CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c([O-])c1 ZINC000818631026 633966358 /nfs/dbraw/zinc/96/63/58/633966358.db2.gz AGOMPPBHQCUDRM-IAQYHMDHSA-N -1 3 293.363 2.476 20 10 CECDHM CC(C)n1cc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000126392623 650612073 /nfs/dbraw/zinc/61/20/73/650612073.db2.gz ZUEBCLNHEKDTQR-UHFFFAOYSA-N -1 3 261.281 2.128 20 10 CECDHM O=C(NC[C@H]1Cc2ccccc21)c1cccc(O)c1[O-] ZINC000126468795 650671969 /nfs/dbraw/zinc/67/19/69/650671969.db2.gz ZIWBSDYMXVCCMD-LLVKDONJSA-N -1 3 269.300 2.168 20 10 CECDHM COc1ccncc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182265685 641640165 /nfs/dbraw/zinc/64/01/65/641640165.db2.gz NUMYZALTWZRDMG-UHFFFAOYSA-N -1 3 274.276 2.062 20 10 CECDHM COc1ccc(F)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000126483369 650693649 /nfs/dbraw/zinc/69/36/49/650693649.db2.gz STVXSPMJYCRJPI-UHFFFAOYSA-N -1 3 277.251 2.498 20 10 CECDHM Cc1cnc([C@H](C)NC(=O)c2cccc(O)c2[O-])s1 ZINC000126525762 650728216 /nfs/dbraw/zinc/72/82/16/650728216.db2.gz OOEZCRXMZQEKML-QMMMGPOBSA-N -1 3 278.333 2.354 20 10 CECDHM C[C@H]1CC(NC(=O)NCc2c([O-])cccc2F)C[C@H](C)O1 ZINC000921740289 642568094 /nfs/dbraw/zinc/56/80/94/642568094.db2.gz JUCKBHAUXHKKOP-UWVGGRQHSA-N -1 3 296.342 2.287 20 10 CECDHM Cc1ccc(C(=O)NOCc2ccc(F)cc2)c([O-])c1O ZINC000186491827 642617897 /nfs/dbraw/zinc/61/78/97/642617897.db2.gz QQKDDIRMPXHDAP-UHFFFAOYSA-N -1 3 291.278 2.407 20 10 CECDHM Cc1cc([O-])c(CN[C@@H](C)c2cn(C)nn2)c(Cl)c1 ZINC000922635838 643174864 /nfs/dbraw/zinc/17/48/64/643174864.db2.gz XWOCMEQWGITEOM-VIFPVBQESA-N -1 3 280.759 2.333 20 10 CECDHM CC[C@@H](C)[C@H](CNC(=O)NCc1c([O-])cccc1F)OC ZINC000922669880 643193086 /nfs/dbraw/zinc/19/30/86/643193086.db2.gz QDRCEFOEBTYZEF-YGRLFVJLSA-N -1 3 298.358 2.392 20 10 CECDHM C[C@@H]1C[C@H](CNC(=O)NCc2c([O-])cccc2F)[C@H](C)O1 ZINC000922891564 643337706 /nfs/dbraw/zinc/33/77/06/643337706.db2.gz LUVXTAJLIJHDKX-OUAUKWLOSA-N -1 3 296.342 2.144 20 10 CECDHM C[C@H]1CCC[C@H](CNC(=O)NCc2c([O-])cccc2F)O1 ZINC000923285570 643639379 /nfs/dbraw/zinc/63/93/79/643639379.db2.gz HTWHAIBOAVLXRG-WDEREUQCSA-N -1 3 296.342 2.288 20 10 CECDHM C[C@@H](NCc1nnc2n1CCC2)c1cc(F)cc(F)c1[O-] ZINC000756395845 644643511 /nfs/dbraw/zinc/64/35/11/644643511.db2.gz ZRQMKRNZELWUTK-MRVPVSSYSA-N -1 3 294.305 2.059 20 10 CECDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2csnn2)c1[O-] ZINC000839661812 644766589 /nfs/dbraw/zinc/76/65/89/644766589.db2.gz GMOOJCZUWKQPKX-ZETCQYMHSA-N -1 3 295.339 2.436 20 10 CECDHM Cc1nn(C)c(C)c1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000770466466 646395627 /nfs/dbraw/zinc/39/56/27/646395627.db2.gz NTPQYNMGLOTXMR-UHFFFAOYSA-N -1 3 275.308 2.009 20 10 CECDHM Cc1cc(=O)[n-]c(C=Cc2ccc(N(C)C)cc2)n1 ZINC000204633650 646967317 /nfs/dbraw/zinc/96/73/17/646967317.db2.gz KOKXFRAJKSVBRQ-TWGQIWQCSA-N -1 3 255.321 2.315 20 10 CECDHM CC[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1O ZINC000792173175 648618939 /nfs/dbraw/zinc/61/89/39/648618939.db2.gz TXCRVBIOMXSEJI-QPUJVOFHSA-N -1 3 273.735 2.387 20 10 CECDHM O=C(NCc1ccc(F)cc1)c1cccc(O)c1[O-] ZINC000028966877 652582142 /nfs/dbraw/zinc/58/21/42/652582142.db2.gz LCKHAWSKODCNGK-UHFFFAOYSA-N -1 3 261.252 2.167 20 10 CECDHM O=C1OCCC12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142527375 806620644 /nfs/dbraw/zinc/62/06/44/806620644.db2.gz SNHCDGLLJIPWHA-UHFFFAOYSA-N -1 3 297.301 2.200 20 10 CECDHM C[C@H]1C[C@H](O)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142525075 806618365 /nfs/dbraw/zinc/61/83/65/806618365.db2.gz WAKAIZQAGFHRFC-WCBMZHEXSA-N -1 3 257.280 2.016 20 10 CECDHM Cc1noc([C@H]2CCN(Cc3c([O-])cc(F)cc3F)C2)n1 ZINC001140584600 803186015 /nfs/dbraw/zinc/18/60/15/803186015.db2.gz YGAAUNNKYYNJCQ-VIFPVBQESA-N -1 3 295.289 2.351 20 10 CECDHM O=C(N[C@H]1CCC(F)(F)C1)c1cccc(O)c1[O-] ZINC000394676087 803636153 /nfs/dbraw/zinc/63/61/53/803636153.db2.gz VRWVWCCUEFBMOA-ZETCQYMHSA-N -1 3 257.236 2.015 20 10 CECDHM C[C@@H]1CCC[C@H](C)N1NC(=O)c1cccc(O)c1[O-] ZINC000126514990 805346112 /nfs/dbraw/zinc/34/61/12/805346112.db2.gz VDUXSSSDDWVTPZ-AOOOYVTPSA-N -1 3 264.325 2.006 20 10 CECDHM O=C(NCc1ccc(Cl)o1)c1cccc(O)c1[O-] ZINC000700581381 809323530 /nfs/dbraw/zinc/32/35/30/809323530.db2.gz PIZHFVCRVXLITK-UHFFFAOYSA-N -1 3 267.668 2.274 20 10 CECDHM O=C(N[C@@H]1CCCC1(F)F)c1cccc(O)c1[O-] ZINC000398406301 813673010 /nfs/dbraw/zinc/67/30/10/813673010.db2.gz ZOBHOIAKFICABT-SECBINFHSA-N -1 3 257.236 2.015 20 10 CECDHM O=C(Nc1cncnc1C(F)(F)F)c1cccc(O)c1[O-] ZINC001148212102 814536724 /nfs/dbraw/zinc/53/67/24/814536724.db2.gz MEEKTPIRSDJWDA-UHFFFAOYSA-N -1 3 299.208 2.159 20 10 CECDHM [O-]c1cccc(F)c1CN1CCN(c2ccccn2)CC1 ZINC001137831788 815690687 /nfs/dbraw/zinc/69/06/87/815690687.db2.gz NPNHYSVNTOUHKL-UHFFFAOYSA-N -1 3 287.338 2.249 20 10 CECDHM [O-]c1cccc(F)c1CN1CCN(c2cccnc2)CC1 ZINC001137833142 815692101 /nfs/dbraw/zinc/69/21/01/815692101.db2.gz UUASZXPRNHNVBF-UHFFFAOYSA-N -1 3 287.338 2.249 20 10 CECDHM COC(=O)[C@@H]1C[C@@H](C)CN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583838 816293433 /nfs/dbraw/zinc/29/34/33/816293433.db2.gz VQZQXCVOLYTZCY-NXEZZACHSA-N -1 3 299.317 2.301 20 10 CECDHM CCN(CCC(=O)OC)Cc1c([O-])cc(F)cc1F ZINC001140585749 816294912 /nfs/dbraw/zinc/29/49/12/816294912.db2.gz SXQYOAPDYLMUGR-UHFFFAOYSA-N -1 3 273.279 2.055 20 10 CECDHM CCO[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530178 816680308 /nfs/dbraw/zinc/68/03/08/816680308.db2.gz ABTOBLKGCJVYJZ-SNVBAGLBSA-N -1 3 257.280 2.281 20 10 CECDHM COCCN(CCOC)Cc1cccc(Cl)c1[O-] ZINC000124509089 365652960 /nfs/dbraw/zinc/65/29/60/365652960.db2.gz XHASGXPXURYSBM-UHFFFAOYSA-N -1 3 273.760 2.140 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)CC2(O)CCCC2)c1[O-] ZINC000124243794 365648162 /nfs/dbraw/zinc/64/81/62/365648162.db2.gz MTENDANSCNMSDJ-UHFFFAOYSA-N -1 3 295.354 2.471 20 10 CECDHM CCCN(Cc1ccccc1[O-])[C@@H](C)c1nncn1C ZINC000287821698 283296885 /nfs/dbraw/zinc/29/68/85/283296885.db2.gz PRDYKWADMWVEEX-LBPRGKRZSA-N -1 3 274.368 2.494 20 10 CECDHM COC[C@@H]1CN(Cc2cc(Cl)cc(C)c2[O-])CCO1 ZINC000180328061 368376131 /nfs/dbraw/zinc/37/61/31/368376131.db2.gz BYOCGPIXDNYVJY-ZDUSSCGKSA-N -1 3 285.771 2.201 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1c1ncc[nH]1 ZINC000187049115 369092191 /nfs/dbraw/zinc/09/21/91/369092191.db2.gz WKLFDXDGLCCBEG-LLVKDONJSA-N -1 3 287.319 2.188 20 10 CECDHM O=C(N[C@H](CCO)C1CCCCC1)c1cccc(O)c1[O-] ZINC000187207386 369122230 /nfs/dbraw/zinc/12/22/30/369122230.db2.gz JSLVEGQQVHCZLV-CYBMUJFWSA-N -1 3 293.363 2.159 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCN(C)CC2(C)C)c1[O-] ZINC000270989154 373051920 /nfs/dbraw/zinc/05/19/20/373051920.db2.gz DQWCIDVONBYELM-UHFFFAOYSA-N -1 3 294.370 2.260 20 10 CECDHM [O-]c1ccc(Br)cc1CN1CCO[C@H]2C[C@H]21 ZINC000366521488 373079247 /nfs/dbraw/zinc/07/92/47/373079247.db2.gz MDLIHZJRLRCNHX-PWSUYJOCSA-N -1 3 284.153 2.128 20 10 CECDHM Cn1ncc(Cl)c1CNCc1ccccc1[O-] ZINC000275427605 374215474 /nfs/dbraw/zinc/21/54/74/374215474.db2.gz CLKNOUSXKCWFAI-UHFFFAOYSA-N -1 3 251.717 2.069 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN(C)CCCO)c1[O-] ZINC000281806151 375395988 /nfs/dbraw/zinc/39/59/88/375395988.db2.gz KVFLBVMBZSDPTB-UHFFFAOYSA-N -1 3 271.744 2.062 20 10 CECDHM CC[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(F)cc1[O-] ZINC000285957144 375845533 /nfs/dbraw/zinc/84/55/33/375845533.db2.gz FIZMGABQIJXNLV-UONOGXRCSA-N -1 3 293.342 2.039 20 10 CECDHM Cc1ccc(C(=O)N2CCC[C@H]2c2cc[nH]n2)c([O-])c1O ZINC000286909714 376098771 /nfs/dbraw/zinc/09/87/71/376098771.db2.gz CEDUJLQREFMSQU-LBPRGKRZSA-N -1 3 287.319 2.107 20 10 CECDHM CC[C@@H](NCc1nncn1C)c1cccc(Cl)c1[O-] ZINC000287565612 376261989 /nfs/dbraw/zinc/26/19/89/376261989.db2.gz GKSLDRPICUCFNI-LLVKDONJSA-N -1 3 280.759 2.415 20 10 CECDHM C[C@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CC(=O)N1 ZINC000294972634 378032718 /nfs/dbraw/zinc/03/27/18/378032718.db2.gz JCEGTORNQQGRAD-ZDUSSCGKSA-N -1 3 296.370 2.380 20 10 CECDHM CCOC[C@H]1CN(Cc2ccc(OCC)cc2[O-])CCO1 ZINC000529667407 380183662 /nfs/dbraw/zinc/18/36/62/380183662.db2.gz VCQWALQHYVSISL-OAHLLOKOSA-N -1 3 295.379 2.028 20 10 CECDHM Cc1c(CN[C@@H](C)c2ccc(F)cc2[O-])cnn1C ZINC000186188075 262312336 /nfs/dbraw/zinc/31/23/36/262312336.db2.gz DGIBCHPQEQZONR-VIFPVBQESA-N -1 3 263.316 2.424 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@]2(CCCCO2)C1 ZINC000373156082 395055939 /nfs/dbraw/zinc/05/59/39/395055939.db2.gz BSWUTWILJMJSSH-INIZCTEOSA-N -1 3 291.347 2.273 20 10 CECDHM CCCCCN1CC(=O)N[C@H]1c1cc(OCC)ccc1[O-] ZINC000182323040 395239318 /nfs/dbraw/zinc/23/93/18/395239318.db2.gz LNLUTMHXDQKWLT-MRXNPFEDSA-N -1 3 292.379 2.412 20 10 CECDHM CC(C)c1nccn1CC(=O)c1ccc([O-])c(O)c1 ZINC000182795220 395248673 /nfs/dbraw/zinc/24/86/73/395248673.db2.gz SZCJYNPWLPIBTF-UHFFFAOYSA-N -1 3 260.293 2.301 20 10 CECDHM CCC(CC)(CCO)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182812245 395248692 /nfs/dbraw/zinc/24/86/92/395248692.db2.gz OMJUREBQGYBRQK-UHFFFAOYSA-N -1 3 295.379 2.325 20 10 CECDHM Cc1ccc(C(=O)NC[C@@]2(C)CCCC[C@@H]2O)c([O-])c1O ZINC000179535770 395195551 /nfs/dbraw/zinc/19/55/51/395195551.db2.gz XAMGGNAJOYEBEW-BLLLJJGKSA-N -1 3 293.363 2.077 20 10 CECDHM C[C@@H](NCc1nnc2n1CCCC2)c1ccc(F)cc1[O-] ZINC000183844162 395265598 /nfs/dbraw/zinc/26/55/98/395265598.db2.gz OGOVIUKIPWDWAP-SNVBAGLBSA-N -1 3 290.342 2.310 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCN(C(C)C)CC2)c1[O-] ZINC000037328914 173129045 /nfs/dbraw/zinc/12/90/45/173129045.db2.gz WARIDHVYRNDSHP-UHFFFAOYSA-N -1 3 294.370 2.260 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@](F)(CO)C2)c1[O-] ZINC000367864015 267123393 /nfs/dbraw/zinc/12/33/93/267123393.db2.gz HWINASRASWWPQH-HNNXBMFYSA-N -1 3 299.317 2.030 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@]2(CCCOC2)C1 ZINC000368037032 267139321 /nfs/dbraw/zinc/13/93/21/267139321.db2.gz LEJGLJRABRSIFG-HNNXBMFYSA-N -1 3 297.782 2.427 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CC[C@@](O)(C3CC3)C2)c1[O-] ZINC000377265694 268061185 /nfs/dbraw/zinc/06/11/85/268061185.db2.gz HFIPOSXRBHPXME-INIZCTEOSA-N -1 3 293.338 2.081 20 10 CECDHM CO[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])[C@@H](C)C1 ZINC000281842521 294547617 /nfs/dbraw/zinc/54/76/17/294547617.db2.gz SYRPJWNFRKFOSR-QWRGUYRKSA-N -1 3 279.336 2.046 20 10 CECDHM CCCOc1ccc(CN2C[C@H](F)C[C@H]2CO)c([O-])c1 ZINC000364846787 520352307 /nfs/dbraw/zinc/35/23/07/520352307.db2.gz VINMQWFNWNCMAE-OLZOCXBDSA-N -1 3 283.343 2.086 20 10 CECDHM CC1(C)CN(Cc2cc(F)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000280290499 520474327 /nfs/dbraw/zinc/47/43/27/520474327.db2.gz ODZIACIKPBLMEM-INIZCTEOSA-N -1 3 295.354 2.301 20 10 CECDHM COC[C@@H]1CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000293518876 522484762 /nfs/dbraw/zinc/48/47/62/522484762.db2.gz AWLYUGVZEFEBKF-VIFPVBQESA-N -1 3 259.708 2.405 20 10 CECDHM CC[C@@H]1CN(Cc2ccccc2[O-])C[C@@H](C)[S@@]1=O ZINC000289586370 523455399 /nfs/dbraw/zinc/45/53/99/523455399.db2.gz KFAVSSOQVPJPMO-AEDCBLDQSA-N -1 3 267.394 2.124 20 10 CECDHM O=C(Nc1cnc(C2CC2)nc1)c1cc([O-])cs1 ZINC000732285670 574618155 /nfs/dbraw/zinc/61/81/55/574618155.db2.gz FDJRQTNCJFXZKE-UHFFFAOYSA-N -1 3 261.306 2.373 20 10 CECDHM O=C(c1cc([O-])cs1)N(CCO)Cc1ccccc1 ZINC000732269252 574616507 /nfs/dbraw/zinc/61/65/07/574616507.db2.gz RMQVHLIJGPXSDW-UHFFFAOYSA-N -1 3 277.345 2.088 20 10 CECDHM C[C@H](O)c1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000732276713 574617301 /nfs/dbraw/zinc/61/73/01/574617301.db2.gz YBDGMBZQYAJCGI-VIFPVBQESA-N -1 3 277.345 2.437 20 10 CECDHM CNC(=O)c1cccc(COC(=O)c2cc([O-])cs2)c1 ZINC000733826135 574687468 /nfs/dbraw/zinc/68/74/68/574687468.db2.gz LBRRFOUCCZEESV-UHFFFAOYSA-N -1 3 291.328 2.170 20 10 CECDHM C[C@](O)(CNC(=O)c1cc([O-])cs1)c1ccsc1 ZINC000740937563 574971765 /nfs/dbraw/zinc/97/17/65/574971765.db2.gz OLWXCZLHPNLDGH-LBPRGKRZSA-N -1 3 283.374 2.153 20 10 CECDHM CCOC(=O)[C@H](CC1CC1)NCc1cc(F)ccc1[O-] ZINC000753572862 575330497 /nfs/dbraw/zinc/33/04/97/575330497.db2.gz VENKITNEXHHKNE-ZDUSSCGKSA-N -1 3 281.327 2.353 20 10 CECDHM Cc1cc(Cl)cc(C[NH2+]CCCC(=O)[O-])c1[O-] ZINC000820976310 598193145 /nfs/dbraw/zinc/19/31/45/598193145.db2.gz AJFRJJIVSPWWEI-UHFFFAOYSA-N -1 3 257.717 2.308 20 10 CECDHM COc1ccc(C[NH2+]Cc2cccc(C(=O)[O-])c2)c([O-])c1 ZINC000820837099 598194017 /nfs/dbraw/zinc/19/40/17/598194017.db2.gz NUPHLHCQSGAXAB-UHFFFAOYSA-N -1 3 287.315 2.389 20 10 CECDHM O=C([O-])NC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000834221680 605693681 /nfs/dbraw/zinc/69/36/81/605693681.db2.gz VWVMAKWNDYDZOB-GFCCVEGCSA-N -1 3 264.325 2.014 20 10 CECDHM O=C([O-])NC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000834221680 605693685 /nfs/dbraw/zinc/69/36/85/605693685.db2.gz VWVMAKWNDYDZOB-GFCCVEGCSA-N -1 3 264.325 2.014 20 10 CECDHM O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1[O-] ZINC000834095367 606061937 /nfs/dbraw/zinc/06/19/37/606061937.db2.gz MERNTIDPWFZNDF-OLZOCXBDSA-N -1 3 294.326 2.248 20 10 CECDHM O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1[O-] ZINC000834095367 606061943 /nfs/dbraw/zinc/06/19/43/606061943.db2.gz MERNTIDPWFZNDF-OLZOCXBDSA-N -1 3 294.326 2.248 20 10 CECDHM Cc1c(NCc2ccccc2O)cccc1-c1nnn[n-]1 ZINC000826242134 609485949 /nfs/dbraw/zinc/48/59/49/609485949.db2.gz BIEJXGMMJRWJII-UHFFFAOYSA-N -1 3 281.319 2.493 20 10 CECDHM Cc1c(NCc2ccccc2O)cccc1-c1nn[n-]n1 ZINC000826242134 609485951 /nfs/dbraw/zinc/48/59/51/609485951.db2.gz BIEJXGMMJRWJII-UHFFFAOYSA-N -1 3 281.319 2.493 20 10 CECDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccncc1 ZINC000187122282 628266868 /nfs/dbraw/zinc/26/68/68/628266868.db2.gz RVQWPRDJNZFJJV-GFCCVEGCSA-N -1 3 272.304 2.374 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CCCC[C@H]1C1OCCO1 ZINC000893994718 629074663 /nfs/dbraw/zinc/07/46/63/629074663.db2.gz NMYACRZKYDQHMH-ZDUSSCGKSA-N -1 3 299.317 2.398 20 10 CECDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)cn1 ZINC000795347160 629523402 /nfs/dbraw/zinc/52/34/02/629523402.db2.gz GMMIGHIBJLSDPA-UHFFFAOYSA-N -1 3 282.296 2.036 20 10 CECDHM CC[C@@H]1CN(C)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894865507 629702968 /nfs/dbraw/zinc/70/29/68/629702968.db2.gz XOUFALZSVYYDOI-GFCCVEGCSA-N -1 3 270.323 2.196 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CC2(C1)CCOCC2 ZINC000894976062 629778104 /nfs/dbraw/zinc/77/81/04/629778104.db2.gz ITSPWNLFKHURQI-UHFFFAOYSA-N -1 3 269.291 2.283 20 10 CECDHM CC(=O)NC[C@@H]1CCCCN1Cc1cc(F)cc(F)c1[O-] ZINC000895437220 630189302 /nfs/dbraw/zinc/18/93/02/630189302.db2.gz JGTGRPCBRQLDEI-ZDUSSCGKSA-N -1 3 298.333 2.161 20 10 CECDHM C[C@H](O)c1ncc(CNCc2c([O-])cccc2F)s1 ZINC000896637345 630621110 /nfs/dbraw/zinc/62/11/10/630621110.db2.gz MMYJUEROLCHGFU-QMMMGPOBSA-N -1 3 282.340 2.331 20 10 CECDHM CO[C@@H]1CCCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928706891 631129122 /nfs/dbraw/zinc/12/91/22/631129122.db2.gz YTCUBTUQVFLYBA-IINYFYTJSA-N -1 3 281.327 2.353 20 10 CECDHM Cc1cc([O-])c(CN2CCNC(=O)C[C@@H]2C)cc1Cl ZINC000825935165 635735276 /nfs/dbraw/zinc/73/52/76/635735276.db2.gz NZZGDKQIIMBVBE-JTQLQIEISA-N -1 3 282.771 2.064 20 10 CECDHM CN(Cc1nncn1C)Cc1ccc2ccccc2c1[O-] ZINC000816612548 633421759 /nfs/dbraw/zinc/42/17/59/633421759.db2.gz ROGMAPNMLLRICX-UHFFFAOYSA-N -1 3 282.347 2.306 20 10 CECDHM CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c([O-])c1 ZINC000817881185 633750893 /nfs/dbraw/zinc/75/08/93/633750893.db2.gz PXPYQAUBFOOFLS-AAEUAGOBSA-N -1 3 293.363 2.476 20 10 CECDHM CCOc1ccc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c([O-])c1 ZINC000817881185 633750897 /nfs/dbraw/zinc/75/08/97/633750897.db2.gz PXPYQAUBFOOFLS-AAEUAGOBSA-N -1 3 293.363 2.476 20 10 CECDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000827293411 636281866 /nfs/dbraw/zinc/28/18/66/636281866.db2.gz YSYJYAGPVPLTFG-TVQRCGJNSA-N -1 3 271.719 2.141 20 10 CECDHM O=C(NC[C@H]1CCCC2(CCC2)O1)c1cccc(O)c1[O-] ZINC000832316049 637543107 /nfs/dbraw/zinc/54/31/07/637543107.db2.gz UACMXTKUPNLKAS-LLVKDONJSA-N -1 3 291.347 2.319 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000836884446 638736098 /nfs/dbraw/zinc/73/60/98/638736098.db2.gz FWGULYOLKMTTJQ-TZMCWYRMSA-N -1 3 273.332 2.358 20 10 CECDHM O=C(NCCc1ccccc1F)c1cccc(O)c1[O-] ZINC000126208638 650472296 /nfs/dbraw/zinc/47/22/96/650472296.db2.gz YQIPHKLMPLXMSS-UHFFFAOYSA-N -1 3 275.279 2.209 20 10 CECDHM CC(C)[C@]1(C(=O)[O-])CC[N@H+](Cc2ccccc2[O-])C1 ZINC000232753885 640033084 /nfs/dbraw/zinc/03/30/84/640033084.db2.gz USKBICWYCGJSNY-HNNXBMFYSA-N -1 3 263.337 2.325 20 10 CECDHM CC(C)[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000232753885 640033088 /nfs/dbraw/zinc/03/30/88/640033088.db2.gz USKBICWYCGJSNY-HNNXBMFYSA-N -1 3 263.337 2.325 20 10 CECDHM CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(F)c(F)c1[O-] ZINC000877145757 650593813 /nfs/dbraw/zinc/59/38/13/650593813.db2.gz BVWUZNQZRTXMMO-BDAKNGLRSA-N -1 3 286.322 2.063 20 10 CECDHM [O-]c1c(CN2CCOCC3(CC3)C2)ccc(F)c1F ZINC000877194745 650619938 /nfs/dbraw/zinc/61/99/38/650619938.db2.gz UJEHSVIEYHDOBW-UHFFFAOYSA-N -1 3 269.291 2.283 20 10 CECDHM CC1(C)C[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000918316411 640953604 /nfs/dbraw/zinc/95/36/04/640953604.db2.gz DXRIRUMBULGPJM-VIFPVBQESA-N -1 3 266.316 2.377 20 10 CECDHM CO[C@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)C1(C)C ZINC000921375822 641260082 /nfs/dbraw/zinc/26/00/82/641260082.db2.gz CPYQWUPKQFMDCK-OLZOCXBDSA-N -1 3 296.342 2.144 20 10 CECDHM C[C@@H](NCc1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000180938108 641498172 /nfs/dbraw/zinc/49/81/72/641498172.db2.gz BYWXVLPLBIDRJW-SECBINFHSA-N -1 3 269.316 2.351 20 10 CECDHM Cc1noc(C)c1[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126472726 650674576 /nfs/dbraw/zinc/67/45/76/650674576.db2.gz YAPAMMGCWQHIET-SSDOTTSWSA-N -1 3 276.292 2.194 20 10 CECDHM CCN1CCN(Cc2ccc(F)c(F)c2[O-])[C@@H](C)C1 ZINC000877516386 650760819 /nfs/dbraw/zinc/76/08/19/650760819.db2.gz DQUIPRLJKIFNLQ-JTQLQIEISA-N -1 3 270.323 2.196 20 10 CECDHM CC[C@@](C)(CNC(=O)NCc1c([O-])cccc1F)OC ZINC000922705251 643215931 /nfs/dbraw/zinc/21/59/31/643215931.db2.gz HGBBQAWYCYZNNE-AWEZNQCLSA-N -1 3 284.331 2.146 20 10 CECDHM COC(=O)[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC000877636247 650826637 /nfs/dbraw/zinc/82/66/37/650826637.db2.gz RAHJFKUYSPGMEJ-GXSJLCMTSA-N -1 3 299.317 2.301 20 10 CECDHM Cc1ccc(OCCNC(=O)c2cccc(O)c2[O-])cc1 ZINC000186872046 643351948 /nfs/dbraw/zinc/35/19/48/643351948.db2.gz APBXNSGMMUWKOX-UHFFFAOYSA-N -1 3 287.315 2.215 20 10 CECDHM O=C(NCC[C@H]1CCSC1)NCc1c([O-])cccc1F ZINC000923509957 643744968 /nfs/dbraw/zinc/74/49/68/643744968.db2.gz RIFHRRBQVXLGRW-JTQLQIEISA-N -1 3 298.383 2.474 20 10 CECDHM Cc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(=O)[nH]1 ZINC000756246113 644620160 /nfs/dbraw/zinc/62/01/60/644620160.db2.gz PILODLSZATUZMZ-UHFFFAOYSA-N -1 3 274.276 2.068 20 10 CECDHM COCC1(NC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC000856455742 644673049 /nfs/dbraw/zinc/67/30/49/644673049.db2.gz ZRWHXHQBUOJPJB-UHFFFAOYSA-N -1 3 279.336 2.177 20 10 CECDHM Cc1cc(CN[C@@H](C)c2ccc(F)cc2[O-])ncn1 ZINC000756774487 644691585 /nfs/dbraw/zinc/69/15/85/644691585.db2.gz DGRUALSCROXBJX-JTQLQIEISA-N -1 3 261.300 2.481 20 10 CECDHM CN(Cc1cccc(Cl)c1[O-])C[C@H](O)C(F)(F)F ZINC000809751629 645192035 /nfs/dbraw/zinc/19/20/35/645192035.db2.gz UTBCUFMNAMDDEO-VIFPVBQESA-N -1 3 283.677 2.401 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](CCF)C2)c1[O-] ZINC000859904565 645650779 /nfs/dbraw/zinc/65/07/79/645650779.db2.gz IHPLTIZITCAMMW-CYBMUJFWSA-N -1 3 299.317 2.294 20 10 CECDHM COC(=O)[C@H](CC(F)F)NCc1cc(Cl)ccc1[O-] ZINC000789578654 648318814 /nfs/dbraw/zinc/31/88/14/648318814.db2.gz DAVQYYFAEWXULT-VIFPVBQESA-N -1 3 293.697 2.332 20 10 CECDHM COc1ccc(O)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790882947 648457898 /nfs/dbraw/zinc/45/78/98/648457898.db2.gz TUVKWBUCKWHXDG-UHFFFAOYSA-N -1 3 275.260 2.064 20 10 CECDHM CN(Cc1c([O-])ccc(Cl)c1F)[C@H]1CCOC1 ZINC000792167657 648618432 /nfs/dbraw/zinc/61/84/32/648618432.db2.gz NWFVTDSFSRAJBC-QMMMGPOBSA-N -1 3 259.708 2.405 20 10 CECDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C)S1=O ZINC000792193241 648623328 /nfs/dbraw/zinc/62/33/28/648623328.db2.gz UIHPOVSKAKEJLN-UWVGGRQHSA-N -1 3 287.812 2.387 20 10 CECDHM Cc1nonc1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000872137658 649288998 /nfs/dbraw/zinc/28/89/98/649288998.db2.gz VAYYTFKAPVDBQC-SSDOTTSWSA-N -1 3 251.261 2.074 20 10 CECDHM CC[C@H](NCc1nonc1C)c1ccc(F)cc1[O-] ZINC000872137807 649289266 /nfs/dbraw/zinc/28/92/66/649289266.db2.gz WTTLFBBUSHPNTG-NSHDSACASA-N -1 3 265.288 2.464 20 10 CECDHM C[C@H]1C[C@@H](NCc2cc(F)cc(F)c2[O-])c2ncnn21 ZINC000883165676 652385264 /nfs/dbraw/zinc/38/52/64/652385264.db2.gz JKMVINKPDROBHI-WRWORJQWSA-N -1 3 280.278 2.058 20 10 CECDHM C[C@@H]1C[C@@H](NCc2cc(F)cc(F)c2[O-])c2ncnn21 ZINC000883165675 652385377 /nfs/dbraw/zinc/38/53/77/652385377.db2.gz JKMVINKPDROBHI-RDDDGLTNSA-N -1 3 280.278 2.058 20 10 CECDHM CN(Cc1nccn1C)Cc1cc(Cl)ccc1[O-] ZINC000134103429 652772124 /nfs/dbraw/zinc/77/21/24/652772124.db2.gz LBXGEDDUWZTOSH-UHFFFAOYSA-N -1 3 265.744 2.411 20 10 CECDHM O=C(N[C@@H](C1CC1)[C@@H]1CCCOC1)c1cccc(O)c1[O-] ZINC000885478662 653013340 /nfs/dbraw/zinc/01/33/40/653013340.db2.gz KXYONVXVCDZRLG-RISCZKNCSA-N -1 3 291.347 2.033 20 10 CECDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1CCCOC1 ZINC000723839518 802942912 /nfs/dbraw/zinc/94/29/12/802942912.db2.gz JPEJGNBFKZIYIU-PWSUYJOCSA-N -1 3 279.336 2.033 20 10 CECDHM COC1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708421291 809930071 /nfs/dbraw/zinc/93/00/71/809930071.db2.gz DDYMBUXYDWLNHT-UHFFFAOYSA-N -1 3 257.280 2.281 20 10 CECDHM CO[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000234899888 814506492 /nfs/dbraw/zinc/50/64/92/814506492.db2.gz WHDHJYGUYBCWBJ-JTQLQIEISA-N -1 3 286.169 2.375 20 10 CECDHM O=C(NCc1sccc1Cl)c1cc(O)c([O-])c(O)c1 ZINC001148590583 814591841 /nfs/dbraw/zinc/59/18/41/814591841.db2.gz MUELUNHWRJBTHQ-UHFFFAOYSA-N -1 3 299.735 2.448 20 10 CECDHM C[C@@H]1CC[C@@H](O)CN1Cc1c([O-])c(F)ccc1F ZINC001139684388 814751957 /nfs/dbraw/zinc/75/19/57/814751957.db2.gz IIHJRGKSNJYXQV-RKDXNWHRSA-N -1 3 257.280 2.016 20 10 CECDHM COC[C@H]1CCN1Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139129884 815965076 /nfs/dbraw/zinc/96/50/76/815965076.db2.gz JCDXJWPONXIBFE-LLVKDONJSA-N -1 3 289.331 2.028 20 10 CECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCCOCC1 ZINC001139127675 815965204 /nfs/dbraw/zinc/96/52/04/815965204.db2.gz ZVZUZKGICNWJGB-UHFFFAOYSA-N -1 3 289.331 2.029 20 10 CECDHM CS(=O)(=O)N(c1ccc(N)cc1)c1ccc([O-])c(F)c1 ZINC001174738255 816076301 /nfs/dbraw/zinc/07/63/01/816076301.db2.gz VWYLVZIMHBBDCU-UHFFFAOYSA-N -1 3 296.323 2.211 20 10 CECDHM [O-]c1ccc(F)cc1CN1CC(Oc2cccnc2)C1 ZINC001140055286 816179677 /nfs/dbraw/zinc/17/96/77/816179677.db2.gz QEHZXFDJVALUPT-UHFFFAOYSA-N -1 3 274.295 2.190 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@H]2C[C@@H](CO)C[C@H]21 ZINC001140339795 816237926 /nfs/dbraw/zinc/23/79/26/816237926.db2.gz YKDYHIUEJJVANL-ZBINZKHDSA-N -1 3 297.782 2.017 20 10 CECDHM CC(=O)N1CCC2(CN(Cc3c([O-])cccc3Cl)C2)C1 ZINC001140345312 816239759 /nfs/dbraw/zinc/23/97/59/816239759.db2.gz RLCJTJDJEXKICN-UHFFFAOYSA-N -1 3 294.782 2.100 20 10 CECDHM COC(=O)[C@H]1CCCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140585892 816294581 /nfs/dbraw/zinc/29/45/81/816294581.db2.gz VLBNPJSDRPPUBW-JTQLQIEISA-N -1 3 299.317 2.446 20 10 CECDHM O=C1CCC[C@@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@@H]12 ZINC001140584863 816294702 /nfs/dbraw/zinc/29/47/02/816294702.db2.gz HRLDVVDQBMDTME-MWLCHTKSSA-N -1 3 281.302 2.471 20 10 CECDHM COCCC1(CNC(=O)c2ccc(C)c(O)c2[O-])CCC1 ZINC000182613470 368571641 /nfs/dbraw/zinc/57/16/41/368571641.db2.gz ISLMKPZCIDHLKM-UHFFFAOYSA-N -1 3 293.363 2.343 20 10 CECDHM CCC(CC)(CCO)CNC(=O)c1cccc(O)c1[O-] ZINC000193135270 369896988 /nfs/dbraw/zinc/89/69/88/369896988.db2.gz LSMHTBHJKNCQCA-UHFFFAOYSA-N -1 3 281.352 2.016 20 10 CECDHM Cc1ccc(C(=O)NOC2CCCC2)c([O-])c1O ZINC000272889271 373696163 /nfs/dbraw/zinc/69/61/63/373696163.db2.gz ANQNLHMVGMXYBU-UHFFFAOYSA-N -1 3 251.282 2.010 20 10 CECDHM CCn1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000273470909 373760215 /nfs/dbraw/zinc/76/02/15/373760215.db2.gz JUHWEJGCJHOFCT-JTQLQIEISA-N -1 3 290.323 2.368 20 10 CECDHM Cc1c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cnn1C ZINC000273477836 373760370 /nfs/dbraw/zinc/76/03/70/373760370.db2.gz LGPLXNGDKRTGAF-VIFPVBQESA-N -1 3 290.323 2.193 20 10 CECDHM CC[C@H](N[C@H](C)c1nncn1C)c1ccc(F)cc1[O-] ZINC000286375912 375932018 /nfs/dbraw/zinc/93/20/18/375932018.db2.gz ZUMJPFQEUZUFHG-SKDRFNHKSA-N -1 3 278.331 2.462 20 10 CECDHM O=C(N[C@H](C1CC1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000288629915 376379955 /nfs/dbraw/zinc/37/99/55/376379955.db2.gz QZTATYYOZBMKFK-SNVBAGLBSA-N -1 3 275.226 2.169 20 10 CECDHM CCC(CC)(CNC(=O)c1cccc(O)c1[O-])OC ZINC000294659658 378002447 /nfs/dbraw/zinc/00/24/47/378002447.db2.gz NWLYRCYXXKSISM-UHFFFAOYSA-N -1 3 267.325 2.033 20 10 CECDHM CC1(C)CN(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1O ZINC000294819819 378020712 /nfs/dbraw/zinc/02/07/12/378020712.db2.gz XLLUZNLJRVTBTK-GFCCVEGCSA-N -1 3 273.735 2.387 20 10 CECDHM C[C@](O)(CNCc1c([O-])cccc1Cl)C(F)(F)F ZINC000270472714 394735732 /nfs/dbraw/zinc/73/57/32/394735732.db2.gz HZJMRFUSTPEWKV-JTQLQIEISA-N -1 3 283.677 2.449 20 10 CECDHM NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(F)c1[O-] ZINC000360675805 394805170 /nfs/dbraw/zinc/80/51/70/394805170.db2.gz XSDGJQLBDWUUJK-BPNCWPANSA-N -1 3 292.354 2.150 20 10 CECDHM C[C@H](NCc1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000133691429 394954710 /nfs/dbraw/zinc/95/47/10/394954710.db2.gz BYWXVLPLBIDRJW-VIFPVBQESA-N -1 3 269.316 2.351 20 10 CECDHM CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1[O-] ZINC000077253443 177241456 /nfs/dbraw/zinc/24/14/56/177241456.db2.gz XGQLRRFLWMVCDP-LBPRGKRZSA-N -1 3 279.336 2.088 20 10 CECDHM CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1[O-] ZINC000077253443 177241457 /nfs/dbraw/zinc/24/14/57/177241457.db2.gz XGQLRRFLWMVCDP-LBPRGKRZSA-N -1 3 279.336 2.088 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCC[C@H]1c1ncon1 ZINC000361050588 261153115 /nfs/dbraw/zinc/15/31/15/261153115.db2.gz HRXDDCNQQYWIFV-NSHDSACASA-N -1 3 263.272 2.251 20 10 CECDHM CCCOc1ccc(CN2CCCC[C@H]2C(N)=O)c([O-])c1 ZINC000162072870 261268484 /nfs/dbraw/zinc/26/84/84/261268484.db2.gz JLSFLCPDQKRGOO-AWEZNQCLSA-N -1 3 292.379 2.021 20 10 CECDHM COC(=O)N1CC(N[C@H](C)c2cc(Cl)ccc2[O-])C1 ZINC000186137214 262080796 /nfs/dbraw/zinc/08/07/96/262080796.db2.gz ONSYVDLWFPDMGQ-MRVPVSSYSA-N -1 3 284.743 2.147 20 10 CECDHM O=C(Nc1ccc(N2CCCC2)nc1)c1cccc(O)c1[O-] ZINC000186841230 262112071 /nfs/dbraw/zinc/11/20/71/262112071.db2.gz COVCDESRORYBBL-UHFFFAOYSA-N -1 3 299.330 2.345 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C)[C@H]2CO)c1[O-] ZINC000189698684 264322499 /nfs/dbraw/zinc/32/24/99/264322499.db2.gz VBZBHVZEULKVDE-YMTOWFKASA-N -1 3 297.782 2.451 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCOC[C@]12CCOC2 ZINC000370736809 267343135 /nfs/dbraw/zinc/34/31/35/267343135.db2.gz HCJLVHMEJJYBNH-GDBMZVCRSA-N -1 3 277.364 2.335 20 10 CECDHM O=C(Cn1ccnc1C1CC1)c1ccc([O-])c(O)c1 ZINC000530131863 313278545 /nfs/dbraw/zinc/27/85/45/313278545.db2.gz PKQBZTVDEOJLLG-UHFFFAOYSA-N -1 3 258.277 2.055 20 10 CECDHM CC[C@H](NCc1nnc2n1CCC2)c1ccc(F)cc1[O-] ZINC000285509238 328247777 /nfs/dbraw/zinc/24/77/77/328247777.db2.gz DGRNFUABQMQTJY-LBPRGKRZSA-N -1 3 290.342 2.310 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1CCOC[C@H]1c1ncon1 ZINC000377704658 329026095 /nfs/dbraw/zinc/02/60/95/329026095.db2.gz XQHNIFPSJHZBCN-STQMWFEESA-N -1 3 289.335 2.300 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377707913 329026425 /nfs/dbraw/zinc/02/64/25/329026425.db2.gz WIZHMHRYUQUIMP-UKRRQHHQSA-N -1 3 297.782 2.425 20 10 CECDHM COC(=O)[C@@H]1CCCCCN1Cc1ccccc1[O-] ZINC000360020603 329070151 /nfs/dbraw/zinc/07/01/51/329070151.db2.gz VBBUSTCZADCLRS-ZDUSSCGKSA-N -1 3 263.337 2.310 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](Nc2ccccc2)C1 ZINC000187066599 329351956 /nfs/dbraw/zinc/35/19/56/329351956.db2.gz CPNGPRRFNVJEPA-ZDUSSCGKSA-N -1 3 298.342 2.424 20 10 CECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1COc2ccccc21 ZINC000187204792 329355062 /nfs/dbraw/zinc/35/50/62/329355062.db2.gz HZGMMZHBCORZFP-ZWNOBZJWSA-N -1 3 299.326 2.392 20 10 CECDHM Cc1ccc([C@H](C)N[C@H](C)c2ncn(C)n2)c([O-])c1 ZINC000275747641 334794602 /nfs/dbraw/zinc/79/46/02/334794602.db2.gz REHAIFVPOQNDRA-WDEREUQCSA-N -1 3 260.341 2.241 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2CCO)c1[O-] ZINC000050132854 518282649 /nfs/dbraw/zinc/28/26/49/518282649.db2.gz LTYRZVRHTCEYEZ-CQSZACIVSA-N -1 3 295.354 2.471 20 10 CECDHM CCCN(Cc1ccccc1[O-])[C@@H](C)C(=O)OC ZINC000076074132 521690961 /nfs/dbraw/zinc/69/09/61/521690961.db2.gz VWOTUGMBMLPKQS-NSHDSACASA-N -1 3 251.326 2.166 20 10 CECDHM COC(=O)[C@H](NCc1cc(Cl)cc(OC)c1[O-])C1CC1 ZINC000276426024 523927247 /nfs/dbraw/zinc/92/72/47/523927247.db2.gz GWOQKKWIRHLDBV-GFCCVEGCSA-N -1 3 299.754 2.095 20 10 CECDHM CNC(=O)[C@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000291918244 524100800 /nfs/dbraw/zinc/10/08/00/524100800.db2.gz NORXWZQJLXMOPJ-BQBZGAKWSA-N -1 3 291.178 2.484 20 10 CECDHM C[C@H]1OCC[C@]12CN(Cc1c([O-])cccc1Cl)CCO2 ZINC000279745841 525059473 /nfs/dbraw/zinc/05/94/73/525059473.db2.gz XZBIFOWSHVFIRA-ABAIWWIYSA-N -1 3 297.782 2.425 20 10 CECDHM C[C@@H]1OCC[C@@]12CN(Cc1cc(F)ccc1[O-])C[C@@H](C)O2 ZINC000280358002 525585804 /nfs/dbraw/zinc/58/58/04/525585804.db2.gz CJWQGBYLMDNNLE-BFQNTYOBSA-N -1 3 295.354 2.300 20 10 CECDHM C[C@@H](N[C@@H](C)c1ncnn1C)c1ccc(F)cc1[O-] ZINC000276642047 525625146 /nfs/dbraw/zinc/62/51/46/525625146.db2.gz OWOAHINPMHRDGC-BDAKNGLRSA-N -1 3 264.304 2.072 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCN(C2CC2)CC1 ZINC000127925707 526363271 /nfs/dbraw/zinc/36/32/71/526363271.db2.gz IBZXLXQDBNSHMD-UHFFFAOYSA-N -1 3 266.772 2.326 20 10 CECDHM Cc1noc([C@H]2CCCN2Cc2ccccc2[O-])n1 ZINC000289910483 526670481 /nfs/dbraw/zinc/67/04/81/526670481.db2.gz UYLLBROHECOVOU-GFCCVEGCSA-N -1 3 259.309 2.421 20 10 CECDHM Cn1ccc(CNCc2cccc(Br)c2[O-])n1 ZINC000213178959 527359025 /nfs/dbraw/zinc/35/90/25/527359025.db2.gz OYXNPOVRWXUFOM-UHFFFAOYSA-N -1 3 296.168 2.178 20 10 CECDHM CC(C)N(CC(F)F)C(=O)c1cccc(O)c1[O-] ZINC000193139700 528866898 /nfs/dbraw/zinc/86/68/98/528866898.db2.gz YJPLLAHIRAUOFV-UHFFFAOYSA-N -1 3 259.252 2.214 20 10 CECDHM COC(=O)c1ccc([O-])c([C@@H]2Nc3ccccc3C(=O)N2)c1 ZINC000726796842 574430317 /nfs/dbraw/zinc/43/03/17/574430317.db2.gz KEMCYAGQCXOTOW-CQSZACIVSA-N -1 3 298.298 2.033 20 10 CECDHM O=C(NCc1ccc2c(c1)OCCO2)c1cc([O-])cs1 ZINC000731861595 574604168 /nfs/dbraw/zinc/60/41/68/574604168.db2.gz GUSPJVSBWSDQJA-UHFFFAOYSA-N -1 3 291.328 2.155 20 10 CECDHM CCNC(=O)c1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000731867555 574604954 /nfs/dbraw/zinc/60/49/54/574604954.db2.gz WXASQCZKIMTSBT-UHFFFAOYSA-N -1 3 290.344 2.456 20 10 CECDHM Cc1cc(CN(C)C(=O)c2cc([O-])cs2)no1 ZINC000732269474 574616943 /nfs/dbraw/zinc/61/69/43/574616943.db2.gz SZFOHSNIRHBZDX-UHFFFAOYSA-N -1 3 252.295 2.022 20 10 CECDHM Cc1ncc(CNC(=O)c2cc([O-])cs2)s1 ZINC000732275585 574617266 /nfs/dbraw/zinc/61/72/66/574617266.db2.gz LZXZTOSOCXFTRA-UHFFFAOYSA-N -1 3 254.336 2.149 20 10 CECDHM CCCN(CCC)C(=O)COC(=O)c1cc([O-])cs1 ZINC000732355215 574619691 /nfs/dbraw/zinc/61/96/91/574619691.db2.gz HMKWYHDOJVAOAO-UHFFFAOYSA-N -1 3 285.365 2.259 20 10 CECDHM COC(=O)c1ccc(CNCc2ccc(OC)cc2[O-])o1 ZINC000734160278 574703839 /nfs/dbraw/zinc/70/38/39/574703839.db2.gz SYFCCTANJOUWPI-UHFFFAOYSA-N -1 3 291.303 2.070 20 10 CECDHM CCO[C@H](C)c1noc(COC(=O)c2cc([O-])cs2)n1 ZINC000736825726 574797970 /nfs/dbraw/zinc/79/79/70/574797970.db2.gz PHWAOBDQCVQYRY-SSDOTTSWSA-N -1 3 298.320 2.291 20 10 CECDHM CCOC(=O)CCCCOC(=O)c1cc([O-])cs1 ZINC000740959746 574972487 /nfs/dbraw/zinc/97/24/87/574972487.db2.gz KDCAYFWCQGIJNS-UHFFFAOYSA-N -1 3 272.322 2.344 20 10 CECDHM Cc1cnc(CNC(=O)c2cc([O-])cs2)s1 ZINC000743712568 575108980 /nfs/dbraw/zinc/10/89/80/575108980.db2.gz UQDXEBORTOSOKY-UHFFFAOYSA-N -1 3 254.336 2.149 20 10 CECDHM Cc1cc(=O)[n-]c(C=Cc2ccc(N3CCOCC3)cc2)n1 ZINC000752880173 575315993 /nfs/dbraw/zinc/31/59/93/575315993.db2.gz HLPQLDTWDDUISW-QPJJXVBHSA-N -1 3 297.358 2.498 20 10 CECDHM CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000820387658 598132550 /nfs/dbraw/zinc/13/25/50/598132550.db2.gz WGJQDJBNWXHBEL-CYBMUJFWSA-N -1 3 279.336 2.230 20 10 CECDHM CCOc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000820387658 598132551 /nfs/dbraw/zinc/13/25/51/598132551.db2.gz WGJQDJBNWXHBEL-CYBMUJFWSA-N -1 3 279.336 2.230 20 10 CECDHM CC(C)C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC000232601273 598212890 /nfs/dbraw/zinc/21/28/90/598212890.db2.gz AQKMBJJFMMAHAQ-LLVKDONJSA-N -1 3 255.289 2.120 20 10 CECDHM CCC[N@H+](CC(=O)[O-])Cc1ccc(OCC)cc1[O-] ZINC000829475800 604475417 /nfs/dbraw/zinc/47/54/17/604475417.db2.gz FDWSEUWKQSWILF-UHFFFAOYSA-N -1 3 267.325 2.088 20 10 CECDHM CCC[N@@H+](CC(=O)[O-])Cc1ccc(OCC)cc1[O-] ZINC000829475800 604475419 /nfs/dbraw/zinc/47/54/19/604475419.db2.gz FDWSEUWKQSWILF-UHFFFAOYSA-N -1 3 267.325 2.088 20 10 CECDHM O=C([O-])NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000834221681 605693539 /nfs/dbraw/zinc/69/35/39/605693539.db2.gz VWVMAKWNDYDZOB-LBPRGKRZSA-N -1 3 264.325 2.014 20 10 CECDHM O=C([O-])NC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000834221681 605693541 /nfs/dbraw/zinc/69/35/41/605693541.db2.gz VWVMAKWNDYDZOB-LBPRGKRZSA-N -1 3 264.325 2.014 20 10 CECDHM CCOCCOC1CN(Cc2cc(Cl)ccc2[O-])C1 ZINC000779431760 623506100 /nfs/dbraw/zinc/50/61/00/623506100.db2.gz DLPBKEJXJNDCNR-UHFFFAOYSA-N -1 3 285.771 2.283 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCc2ccc(F)cc21 ZINC000312200448 628188926 /nfs/dbraw/zinc/18/89/26/628188926.db2.gz JLKJVAZXCMXYQM-UHFFFAOYSA-N -1 3 273.263 2.440 20 10 CECDHM O=C(NCCCNc1ccccc1)c1cccc(O)c1[O-] ZINC000187070261 628265593 /nfs/dbraw/zinc/26/55/93/628265593.db2.gz LITVMBOLBMIFHD-UHFFFAOYSA-N -1 3 286.331 2.330 20 10 CECDHM Cc1ccc(C(=O)Nc2cncc(F)c2)c([O-])c1O ZINC000799012952 630961877 /nfs/dbraw/zinc/96/18/77/630961877.db2.gz ZUNSECZZNPMILO-UHFFFAOYSA-N -1 3 262.240 2.193 20 10 CECDHM O=C(CSC(F)F)NCc1c([O-])cccc1F ZINC000928706599 631129309 /nfs/dbraw/zinc/12/93/09/631129309.db2.gz RNFQMWRLSXFVRB-UHFFFAOYSA-N -1 3 265.256 2.103 20 10 CECDHM O=C(NCc1c([O-])cccc1F)C1(c2cccnc2)CC1 ZINC000928709198 631129735 /nfs/dbraw/zinc/12/97/35/631129735.db2.gz YFCALYJTCXTPQO-UHFFFAOYSA-N -1 3 286.306 2.274 20 10 CECDHM CN(Cc1ccccc1O)C(=O)c1c([O-])cccc1O ZINC000125691335 650000564 /nfs/dbraw/zinc/00/05/64/650000564.db2.gz MMZKRLVZVSPVMY-UHFFFAOYSA-N -1 3 273.288 2.076 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@H](O)[C@H](F)C2)cc1Cl ZINC000898187327 632101407 /nfs/dbraw/zinc/10/14/07/632101407.db2.gz FFVNTXIVCLNDAZ-NEPJUHHUSA-N -1 3 273.735 2.259 20 10 CECDHM Cc1nonc1CNCc1cc(Br)ccc1[O-] ZINC000809744905 632138231 /nfs/dbraw/zinc/13/82/31/632138231.db2.gz IAUJUJSUABZIKU-UHFFFAOYSA-N -1 3 298.140 2.136 20 10 CECDHM CN(Cc1cccc(Cl)c1[O-])C[C@@H](O)C(F)(F)F ZINC000809751628 632141108 /nfs/dbraw/zinc/14/11/08/632141108.db2.gz UTBCUFMNAMDDEO-SECBINFHSA-N -1 3 283.677 2.401 20 10 CECDHM C[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816589429 633418648 /nfs/dbraw/zinc/41/86/48/633418648.db2.gz XZTQOGJHLMCUMH-VXNVDRBHSA-N -1 3 259.708 2.140 20 10 CECDHM O=c1ccnc(C=Cc2ccc(N3CCC(O)CC3)cc2)[n-]1 ZINC000905072407 635812136 /nfs/dbraw/zinc/81/21/36/635812136.db2.gz DSGRTCBAMZIHLK-ZZXKWVIFSA-N -1 3 297.358 2.314 20 10 CECDHM C[C@H](CNC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000914371197 640332114 /nfs/dbraw/zinc/33/21/14/640332114.db2.gz OMJJDZPXNLGCAQ-SECBINFHSA-N -1 3 266.316 2.377 20 10 CECDHM C[C@@H](CNC(=O)NCc1c([O-])cccc1F)C1CC1 ZINC000914371198 640332734 /nfs/dbraw/zinc/33/27/34/640332734.db2.gz OMJJDZPXNLGCAQ-VIFPVBQESA-N -1 3 266.316 2.377 20 10 CECDHM CC(C)[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccccc2[O-])C1 ZINC000232785010 640359236 /nfs/dbraw/zinc/35/92/36/640359236.db2.gz USKBICWYCGJSNY-OAHLLOKOSA-N -1 3 263.337 2.325 20 10 CECDHM CC(C)[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000232785010 640359239 /nfs/dbraw/zinc/35/92/39/640359239.db2.gz USKBICWYCGJSNY-OAHLLOKOSA-N -1 3 263.337 2.325 20 10 CECDHM CO[C@@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C1(C)C ZINC000921375823 641259740 /nfs/dbraw/zinc/25/97/40/641259740.db2.gz CPYQWUPKQFMDCK-QWHCGFSZSA-N -1 3 296.342 2.144 20 10 CECDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])C1(CO)CCC1 ZINC000848122394 641900539 /nfs/dbraw/zinc/90/05/39/641900539.db2.gz SFHNFJORMNRYRP-CQSZACIVSA-N -1 3 293.363 2.015 20 10 CECDHM CC[C@H](NC(=O)NCc1c([O-])cccc1F)[C@H]1CCCO1 ZINC000921647453 642384098 /nfs/dbraw/zinc/38/40/98/642384098.db2.gz CWGBKPCXLIPQRC-GXTWGEPZSA-N -1 3 296.342 2.288 20 10 CECDHM Cc1cnc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)o1 ZINC000921846111 642735903 /nfs/dbraw/zinc/73/59/03/642735903.db2.gz DPYFTECGCUMNHZ-SECBINFHSA-N -1 3 293.298 2.388 20 10 CECDHM C[C@H]1CCCC[C@H]1OCCNC(=O)c1cccc(O)c1[O-] ZINC000186944738 643371209 /nfs/dbraw/zinc/37/12/09/643371209.db2.gz YNHTVGKMSJAHIJ-SMDDNHRTSA-N -1 3 293.363 2.423 20 10 CECDHM C[C@@H](N[C@@H](C)c1ncnn1C)c1cc(F)cc(F)c1[O-] ZINC000788983940 644248259 /nfs/dbraw/zinc/24/82/59/644248259.db2.gz PDIGLSXGYMHENW-SFYZADRCSA-N -1 3 282.294 2.211 20 10 CECDHM Cc1cc(Br)c([O-])c(CNc2nncn2C)c1 ZINC000765944072 645825807 /nfs/dbraw/zinc/82/58/07/645825807.db2.gz KPCODAPLQAIPTK-UHFFFAOYSA-N -1 3 297.156 2.204 20 10 CECDHM CN(Cc1cnccn1)Cc1c([O-])cccc1Cl ZINC000769150799 646215647 /nfs/dbraw/zinc/21/56/47/646215647.db2.gz DJPBYJJFOKMODB-UHFFFAOYSA-N -1 3 263.728 2.468 20 10 CECDHM CC[C@H](NCc1ncn(C)n1)c1cc(Cl)ccc1[O-] ZINC000775526580 646962770 /nfs/dbraw/zinc/96/27/70/646962770.db2.gz SFVUMUDOPATPNR-NSHDSACASA-N -1 3 280.759 2.415 20 10 CECDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H]1CO ZINC000775660516 646977660 /nfs/dbraw/zinc/97/76/60/646977660.db2.gz FSFTXFSHWRUHJP-JTQLQIEISA-N -1 3 259.708 2.141 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2C[C@H]3C[C@@]3(CO)C2)c1[O-] ZINC000782624077 647645691 /nfs/dbraw/zinc/64/56/91/647645691.db2.gz IYPIZGZGDFTJOX-ABAIWWIYSA-N -1 3 295.766 2.062 20 10 CECDHM O=C(Nc1n[nH]c2ccc(F)cc21)c1cccc(O)c1[O-] ZINC000790646487 648437747 /nfs/dbraw/zinc/43/77/47/648437747.db2.gz KYNJEZIHYGIOLJ-UHFFFAOYSA-N -1 3 287.250 2.366 20 10 CECDHM O=C(NC1(CO)CCCCCCC1)c1cccc(O)c1[O-] ZINC000871403366 649076744 /nfs/dbraw/zinc/07/67/44/649076744.db2.gz YQXFTUDUVBVZFE-UHFFFAOYSA-N -1 3 293.363 2.303 20 10 CECDHM [O-]c1c(Br)cccc1CN1CCC(O)CC1 ZINC000128062050 651358381 /nfs/dbraw/zinc/35/83/81/651358381.db2.gz QWPPGANULRPEDZ-UHFFFAOYSA-N -1 3 286.169 2.111 20 10 CECDHM Cc1ncc(CN(C)Cc2cc(F)c(F)cc2[O-])cn1 ZINC001142527425 806620845 /nfs/dbraw/zinc/62/08/45/806620845.db2.gz ULUSFNIVIJEFBO-UHFFFAOYSA-N -1 3 279.290 2.401 20 10 CECDHM O=C(NCc1ccc(O)cc1O)c1cc([O-])ccc1Cl ZINC001142533672 806622549 /nfs/dbraw/zinc/62/25/49/806622549.db2.gz PKDBDQJWEZYLCV-UHFFFAOYSA-N -1 3 293.706 2.387 20 10 CECDHM CO[C@H](C)C1CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530338 806622926 /nfs/dbraw/zinc/62/29/26/806622926.db2.gz DYJPQFKDEGXRSU-MRVPVSSYSA-N -1 3 257.280 2.137 20 10 CECDHM [O-]c1cccc(Br)c1CNCc1cc[nH]n1 ZINC000706842414 802843016 /nfs/dbraw/zinc/84/30/16/802843016.db2.gz HXGYCIKGCCPYAN-UHFFFAOYSA-N -1 3 282.141 2.168 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCn2nccc2C1 ZINC001140464628 802945686 /nfs/dbraw/zinc/94/56/86/802945686.db2.gz XYQZMBBYVDCIDS-UHFFFAOYSA-N -1 3 263.728 2.258 20 10 CECDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccccn1 ZINC000709603148 803941879 /nfs/dbraw/zinc/94/18/79/803941879.db2.gz RBCIHJMWWYCWOP-SNVBAGLBSA-N -1 3 272.304 2.026 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000311687891 807392241 /nfs/dbraw/zinc/39/22/41/807392241.db2.gz JVSYYSHDFZEKEQ-PHIMTYICSA-N -1 3 259.305 2.136 20 10 CECDHM CCC(=O)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001143972106 813917872 /nfs/dbraw/zinc/91/78/72/813917872.db2.gz QYERLXBCKQFFRZ-UHFFFAOYSA-N -1 3 292.722 2.189 20 10 CECDHM O=C(Nc1cccc2c1COC2)c1cccc(O)c1[O-] ZINC001148218715 814537938 /nfs/dbraw/zinc/53/79/38/814537938.db2.gz IKUQVTAYVBEUMY-UHFFFAOYSA-N -1 3 271.272 2.380 20 10 CECDHM Oc1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1O ZINC001175429029 816199064 /nfs/dbraw/zinc/19/90/64/816199064.db2.gz FZGZBVWIGUHNQE-UHFFFAOYSA-N -1 3 269.264 2.022 20 10 CECDHM CCOC(=O)C1CN(Cc2c([O-])cccc2Cl)C1 ZINC001140341540 816236091 /nfs/dbraw/zinc/23/60/91/816236091.db2.gz VBFRONZAELLGOG-UHFFFAOYSA-N -1 3 269.728 2.041 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CC(F)(F)C[C@H]1CO ZINC001140338095 816238656 /nfs/dbraw/zinc/23/86/56/816238656.db2.gz UZVLBVZYGQNPJH-QMMMGPOBSA-N -1 3 277.698 2.248 20 10 CECDHM COC(=O)C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142512896 816679619 /nfs/dbraw/zinc/67/96/19/816679619.db2.gz OYVISSACYWXCPB-UHFFFAOYSA-N -1 3 285.290 2.055 20 10 CECDHM CC(=O)c1cncc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001178413739 816743105 /nfs/dbraw/zinc/74/31/05/816743105.db2.gz YHZCZJCTBUMBTG-UHFFFAOYSA-N -1 3 288.278 2.059 20 10 CECDHM O=C(NCc1c([O-])cccc1F)c1ccc2cc[nH]c2n1 ZINC001178412880 816743784 /nfs/dbraw/zinc/74/37/84/816743784.db2.gz JDTJDTSEZCHDRO-UHFFFAOYSA-N -1 3 285.278 2.338 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2[C@H](C)O)c1[O-] ZINC000267473893 372074385 /nfs/dbraw/zinc/07/43/85/372074385.db2.gz ZTKPVPCNOKJBIP-NHYWBVRUSA-N -1 3 295.354 2.469 20 10 CECDHM CCCN(CC(=O)OC)Cc1c([O-])cccc1Cl ZINC000269375928 372433862 /nfs/dbraw/zinc/43/38/62/372433862.db2.gz VXCQTARVLPGRTC-UHFFFAOYSA-N -1 3 271.744 2.431 20 10 CECDHM Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1ccccc1[O-] ZINC000368119971 373222381 /nfs/dbraw/zinc/22/23/81/373222381.db2.gz LSZXIHBBJNXBAY-QGZVFWFLSA-N -1 3 296.370 2.374 20 10 CECDHM COC(=O)[C@@]1(F)CCN(Cc2c([O-])cccc2Cl)C1 ZINC000271195883 373175224 /nfs/dbraw/zinc/17/52/24/373175224.db2.gz HKPXJEPOXSWXMA-CYBMUJFWSA-N -1 3 287.718 2.133 20 10 CECDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2cn[nH]c2)c1 ZINC000273345737 373751240 /nfs/dbraw/zinc/75/12/40/373751240.db2.gz APJAPZIGPJPQAQ-VHSXEESVSA-N -1 3 289.335 2.314 20 10 CECDHM C[C@@H]1CCSCCN1C(=O)c1cccc(O)c1[O-] ZINC000276899828 374340271 /nfs/dbraw/zinc/34/02/71/374340271.db2.gz RYWRZPGINBLXGJ-SECBINFHSA-N -1 3 267.350 2.065 20 10 CECDHM CC[C@@H](NCc1nncn1CC)c1ccc(F)cc1[O-] ZINC000285687695 375842399 /nfs/dbraw/zinc/84/23/99/375842399.db2.gz OFXAXUHBDQFBEB-GFCCVEGCSA-N -1 3 278.331 2.384 20 10 CECDHM CCc1nnc(CNCc2cc(Cl)c(F)cc2[O-])[nH]1 ZINC000296175134 378441198 /nfs/dbraw/zinc/44/11/98/378441198.db2.gz XLJJTMRSYFYNAU-UHFFFAOYSA-N -1 3 284.722 2.155 20 10 CECDHM CCc1nc(CNCc2cc(Cl)c(F)cc2[O-])n[nH]1 ZINC000296175134 378441206 /nfs/dbraw/zinc/44/12/06/378441206.db2.gz XLJJTMRSYFYNAU-UHFFFAOYSA-N -1 3 284.722 2.155 20 10 CECDHM CCn1ccnc1CN[C@H]1CCc2cccc([O-])c21 ZINC000296452880 378537021 /nfs/dbraw/zinc/53/70/21/378537021.db2.gz MVXNVKILYRJTJG-LBPRGKRZSA-N -1 3 257.337 2.386 20 10 CECDHM C[C@@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC000132608684 394933732 /nfs/dbraw/zinc/93/37/32/394933732.db2.gz XBVMWXNGNZQVBF-SECBINFHSA-N -1 3 286.169 2.375 20 10 CECDHM Cc1c([C@@H](C)NCc2cccc(F)c2[O-])cnn1C ZINC000158718198 395052016 /nfs/dbraw/zinc/05/20/16/395052016.db2.gz ZTRMTWYSTOHRAX-SECBINFHSA-N -1 3 263.316 2.424 20 10 CECDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CC[S@@](=O)C1 ZINC000375950185 395105948 /nfs/dbraw/zinc/10/59/48/395105948.db2.gz ZWZBSUYJWDCDMM-XTZNXHDOSA-N -1 3 287.812 2.246 20 10 CECDHM Cc1ccc(C(=O)NCC(C)(C)[C@@H](O)C(C)C)c([O-])c1O ZINC000182900002 395249662 /nfs/dbraw/zinc/24/96/62/395249662.db2.gz TXDJASFXCIIBGB-AWEZNQCLSA-N -1 3 295.379 2.179 20 10 CECDHM Cc1ccc(C(=O)N2CCS[C@@H](C)[C@@H]2C)c([O-])c1O ZINC000179507720 395194685 /nfs/dbraw/zinc/19/46/85/395194685.db2.gz XSMIGBGJZGJTLL-UWVGGRQHSA-N -1 3 281.377 2.372 20 10 CECDHM COc1cc(Cl)cc(CN2CCO[C@@H](C)C2)c1[O-] ZINC000184676739 262026160 /nfs/dbraw/zinc/02/61/60/262026160.db2.gz BXVAPMYPBKIWHZ-VIFPVBQESA-N -1 3 271.744 2.275 20 10 CECDHM CCO[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000187129809 262124973 /nfs/dbraw/zinc/12/49/73/262124973.db2.gz KNTVIICLYNTGCU-STQMWFEESA-N -1 3 291.347 2.175 20 10 CECDHM CN(C)C(=O)c1ccc(CN(C)Cc2ccccc2[O-])[nH]1 ZINC000091956610 327188160 /nfs/dbraw/zinc/18/81/60/327188160.db2.gz SYTXEKMYUQZZET-UHFFFAOYSA-N -1 3 287.363 2.054 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000377707915 329026242 /nfs/dbraw/zinc/02/62/42/329026242.db2.gz WIZHMHRYUQUIMP-ZFWWWQNUSA-N -1 3 297.782 2.425 20 10 CECDHM CCCOc1ccc(CN2CC(n3cccn3)C2)c([O-])c1 ZINC000359976720 329644386 /nfs/dbraw/zinc/64/43/86/329644386.db2.gz URTUBPRGOCILRG-UHFFFAOYSA-N -1 3 287.363 2.434 20 10 CECDHM O=C(/C=C\c1cncc([O-])c1)N1CCOCc2ccccc21 ZINC000491984438 332378192 /nfs/dbraw/zinc/37/81/92/332378192.db2.gz PGHSKRFXKXMWCJ-WAYWQWQTSA-N -1 3 296.326 2.364 20 10 CECDHM Cc1ccc([C@@H](C)N[C@H](C)c2ncn(C)n2)c([O-])c1 ZINC000275745771 334794452 /nfs/dbraw/zinc/79/44/52/334794452.db2.gz REHAIFVPOQNDRA-GHMZBOCLSA-N -1 3 260.341 2.241 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CCC(CO)CC2)c1[O-] ZINC000050131912 518279370 /nfs/dbraw/zinc/27/93/70/518279370.db2.gz CWXBMBYJCDFSNO-UHFFFAOYSA-N -1 3 297.782 2.453 20 10 CECDHM COc1cc(Cl)cc(CN2CC(C(C)(C)O)C2)c1[O-] ZINC000297475923 522538439 /nfs/dbraw/zinc/53/84/39/522538439.db2.gz SZBOVKSAXWFKGF-UHFFFAOYSA-N -1 3 285.771 2.257 20 10 CECDHM Cc1cc(Cl)cc(CN[C@@]2(C)CCOC2=O)c1[O-] ZINC000291026799 524873213 /nfs/dbraw/zinc/87/32/13/524873213.db2.gz YEFVBDNXNVXZJM-ZDUSSCGKSA-N -1 3 269.728 2.149 20 10 CECDHM CCn1nc(C)c(CNC(=O)c2cc([O-])cs2)c1C ZINC000732284048 574618057 /nfs/dbraw/zinc/61/80/57/574618057.db2.gz IFHNAGVOHXZHJN-UHFFFAOYSA-N -1 3 279.365 2.217 20 10 CECDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@@H](C)S1 ZINC000743728758 575109206 /nfs/dbraw/zinc/10/92/06/575109206.db2.gz WJLWLTNRXXZISF-HTQZYQBOSA-N -1 3 257.380 2.420 20 10 CECDHM CC[C@H](NC(=O)c1cc([O-])cs1)C1CCOCC1 ZINC000746409851 575155964 /nfs/dbraw/zinc/15/59/64/575155964.db2.gz PGRAXECRVYRFCS-NSHDSACASA-N -1 3 269.366 2.389 20 10 CECDHM COC[C@H](NC(=O)c1cc([O-])cs1)c1ccc(C)o1 ZINC000746697109 575162901 /nfs/dbraw/zinc/16/29/01/575162901.db2.gz LAHGXVBDDFXURY-JTQLQIEISA-N -1 3 281.333 2.473 20 10 CECDHM C[C@@H](Cc1ccncc1)NC(=O)c1cc([O-])cs1 ZINC000749543279 575225030 /nfs/dbraw/zinc/22/50/30/575225030.db2.gz DNMSUCCBRPKFNG-VIFPVBQESA-N -1 3 262.334 2.210 20 10 CECDHM O=C([O-])[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000086789694 597538387 /nfs/dbraw/zinc/53/83/87/597538387.db2.gz GARGMDGRKVXZAP-LBPRGKRZSA-N -1 3 271.316 2.452 20 10 CECDHM O=C([O-])[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000086789694 597538391 /nfs/dbraw/zinc/53/83/91/597538391.db2.gz GARGMDGRKVXZAP-LBPRGKRZSA-N -1 3 271.316 2.452 20 10 CECDHM COc1cccc(C[N@H+](CCC(=O)[O-])CC(C)C)c1[O-] ZINC000833735037 604579979 /nfs/dbraw/zinc/57/99/79/604579979.db2.gz AZDOJSNOFPYVAR-UHFFFAOYSA-N -1 3 281.352 2.334 20 10 CECDHM COc1cccc(C[N@@H+](CCC(=O)[O-])CC(C)C)c1[O-] ZINC000833735037 604579982 /nfs/dbraw/zinc/57/99/82/604579982.db2.gz AZDOJSNOFPYVAR-UHFFFAOYSA-N -1 3 281.352 2.334 20 10 CECDHM C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cccc(O)c1[O-] ZINC000186944685 628262646 /nfs/dbraw/zinc/26/26/46/628262646.db2.gz YNHTVGKMSJAHIJ-RISCZKNCSA-N -1 3 293.363 2.423 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H](CF)C1 ZINC000840955823 628877583 /nfs/dbraw/zinc/87/75/83/628877583.db2.gz ZZMHWBOJRTYCOS-VIFPVBQESA-N -1 3 259.708 2.216 20 10 CECDHM CCOC(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893872325 629023984 /nfs/dbraw/zinc/02/39/84/629023984.db2.gz RAYFRHUHMOWLRP-UHFFFAOYSA-N -1 3 299.317 2.446 20 10 CECDHM CCC1(O)CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894049268 629102821 /nfs/dbraw/zinc/10/28/21/629102821.db2.gz DOZFVEJDNHLRLK-UHFFFAOYSA-N -1 3 271.307 2.407 20 10 CECDHM CC1(C)CC(=O)NCCN1Cc1cccc(Cl)c1[O-] ZINC000895400866 630169277 /nfs/dbraw/zinc/16/92/77/630169277.db2.gz YMNISBYZEPLUBL-UHFFFAOYSA-N -1 3 282.771 2.146 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@](O)(C(F)F)C1 ZINC000824726284 635485923 /nfs/dbraw/zinc/48/59/23/635485923.db2.gz KLTZETNTESIQED-LBPRGKRZSA-N -1 3 295.688 2.387 20 10 CECDHM CO[C@H]1CCCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928706890 631128989 /nfs/dbraw/zinc/12/89/89/631128989.db2.gz YTCUBTUQVFLYBA-HZMBPMFUSA-N -1 3 281.327 2.353 20 10 CECDHM COc1nn(C)cc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000898025474 632020511 /nfs/dbraw/zinc/02/05/11/632020511.db2.gz HPCHTUXFCJZGMD-UHFFFAOYSA-N -1 3 299.733 2.217 20 10 CECDHM O=C(Nc1cccc2[nH]c(=O)oc21)c1cccc(O)c1[O-] ZINC000811596332 632405551 /nfs/dbraw/zinc/40/55/51/632405551.db2.gz JDOOTVIMDHNVBK-UHFFFAOYSA-N -1 3 286.243 2.197 20 10 CECDHM Cc1nnc2n1CCN(Cc1ccc3ccccc3c1[O-])C2 ZINC000816505795 633403437 /nfs/dbraw/zinc/40/34/37/633403437.db2.gz IGGLBGAIXIBLQV-UHFFFAOYSA-N -1 3 294.358 2.461 20 10 CECDHM CC(C)C[C@H](C[NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000818630507 633966128 /nfs/dbraw/zinc/96/61/28/633966128.db2.gz PSPKTRQDLNHCIP-GFCCVEGCSA-N -1 3 251.326 2.229 20 10 CECDHM C[C@H]1C[C@@H](O)CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000825315448 635613646 /nfs/dbraw/zinc/61/36/46/635613646.db2.gz AUIDHNGDPCIFKL-WCBMZHEXSA-N -1 3 273.735 2.387 20 10 CECDHM CCn1ncnc1CNCc1cc(Cl)c(C)cc1[O-] ZINC000825748982 635707058 /nfs/dbraw/zinc/70/70/58/635707058.db2.gz LJSTZORQWXKWRU-UHFFFAOYSA-N -1 3 280.759 2.255 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCc2nccnc2C1 ZINC000827693126 636393736 /nfs/dbraw/zinc/39/37/36/636393736.db2.gz YJNBQMXKUWQPTB-UHFFFAOYSA-N -1 3 275.739 2.394 20 10 CECDHM CCC(O)(CC)C(C)(C)NC(=O)c1cccc(O)c1[O-] ZINC000829324351 636825981 /nfs/dbraw/zinc/82/59/81/636825981.db2.gz ZBFUDSUXJKPEDI-UHFFFAOYSA-N -1 3 281.352 2.157 20 10 CECDHM CC(=O)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000126196032 650450756 /nfs/dbraw/zinc/45/07/56/650450756.db2.gz GHNRJIXYCHAJFS-UHFFFAOYSA-N -1 3 286.287 2.309 20 10 CECDHM O=C(NCCc1cccs1)c1cccc(O)c1[O-] ZINC000126225167 650477066 /nfs/dbraw/zinc/47/70/66/650477066.db2.gz QJKBGYGTNGTGRL-UHFFFAOYSA-N -1 3 263.318 2.132 20 10 CECDHM CCOc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])c([O-])c1 ZINC000844934132 640870130 /nfs/dbraw/zinc/87/01/30/640870130.db2.gz KTNZYJYIYLAEOB-GWCFXTLKSA-N -1 3 279.336 2.228 20 10 CECDHM CCOc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])c([O-])c1 ZINC000844934132 640870135 /nfs/dbraw/zinc/87/01/35/640870135.db2.gz KTNZYJYIYLAEOB-GWCFXTLKSA-N -1 3 279.336 2.228 20 10 CECDHM O=C(NCCC(F)(F)F)NCc1c([O-])cccc1F ZINC000920924385 641209910 /nfs/dbraw/zinc/20/99/10/641209910.db2.gz NJNNBGUQABXXSF-UHFFFAOYSA-N -1 3 280.221 2.283 20 10 CECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCSC1 ZINC000921316789 641245374 /nfs/dbraw/zinc/24/53/74/641245374.db2.gz LCUVAMDFFCIHOQ-SECBINFHSA-N -1 3 284.356 2.226 20 10 CECDHM CCC[C@H](C)S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452686 641285154 /nfs/dbraw/zinc/28/51/54/641285154.db2.gz WKCYWZWLDTZXBX-VIFPVBQESA-N -1 3 275.345 2.139 20 10 CECDHM O=S(=O)(CC1CCCC1)NCc1c([O-])cccc1F ZINC000921452005 641285328 /nfs/dbraw/zinc/28/53/28/641285328.db2.gz AGIWABHTJDAURX-UHFFFAOYSA-N -1 3 287.356 2.141 20 10 CECDHM CCN1CCN(Cc2ccc(F)c(F)c2[O-])[C@H](C)C1 ZINC000877516387 650761284 /nfs/dbraw/zinc/76/12/84/650761284.db2.gz DQUIPRLJKIFNLQ-SNVBAGLBSA-N -1 3 270.323 2.196 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CCN(C)[C@@H](C)C2)c1[O-] ZINC000110727318 643491238 /nfs/dbraw/zinc/49/12/38/643491238.db2.gz VZILWMSSDDRPBI-JTQLQIEISA-N -1 3 296.798 2.384 20 10 CECDHM CC(=O)NC[C@H]1CCCCN1Cc1ccc(F)c(F)c1[O-] ZINC000877674962 650845436 /nfs/dbraw/zinc/84/54/36/650845436.db2.gz OPNWCAHGEYGMDS-GFCCVEGCSA-N -1 3 298.333 2.161 20 10 CECDHM C[C@H]1SCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000923047118 643531178 /nfs/dbraw/zinc/53/11/78/643531178.db2.gz VHAYBNMOMCLXGF-LDYMZIIASA-N -1 3 284.356 2.225 20 10 CECDHM CCc1cnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC000187143927 643668931 /nfs/dbraw/zinc/66/89/31/643668931.db2.gz JZVVROWENBVCSJ-UHFFFAOYSA-N -1 3 264.306 2.369 20 10 CECDHM CN(Cc1cc(=O)[n-]c(C2CC2)n1)c1ccc2c(c1)OCO2 ZINC000838899997 644076067 /nfs/dbraw/zinc/07/60/67/644076067.db2.gz DDDWGRGJDVVDNC-UHFFFAOYSA-N -1 3 299.330 2.425 20 10 CECDHM CC1(C)C[C@H](O)CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877751492 650895201 /nfs/dbraw/zinc/89/52/01/650895201.db2.gz BSQPLRFIOJOIRQ-JTQLQIEISA-N -1 3 271.307 2.263 20 10 CECDHM COC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000126731009 650923196 /nfs/dbraw/zinc/92/31/96/650923196.db2.gz IEBQYLFKSDJCMB-UHFFFAOYSA-N -1 3 287.271 2.137 20 10 CECDHM O=C1N[C@H](c2cc(F)ccc2[O-])N2Cc3ccccc3C[C@@H]12 ZINC000877867043 650932388 /nfs/dbraw/zinc/93/23/88/650932388.db2.gz RVCZZJKRXFHWMX-HOCLYGCPSA-N -1 3 298.317 2.087 20 10 CECDHM CCn1ncc(CNCc2cc(Cl)c(C)cc2[O-])n1 ZINC000862433701 646457758 /nfs/dbraw/zinc/45/77/58/646457758.db2.gz OCMYTLUDRHQITH-UHFFFAOYSA-N -1 3 280.759 2.255 20 10 CECDHM Cc1ccc(C(=O)Nc2cnn(C)c2C(F)F)c([O-])c1O ZINC000781000734 647489799 /nfs/dbraw/zinc/48/97/99/647489799.db2.gz WMCIPIQBKUFJAF-UHFFFAOYSA-N -1 3 297.261 2.330 20 10 CECDHM [O-]c1cccc(Cl)c1CN1C[C@@H](O)CC(F)(F)C1 ZINC000787438415 648108956 /nfs/dbraw/zinc/10/89/56/648108956.db2.gz QSULWAYIROEVKK-QMMMGPOBSA-N -1 3 277.698 2.248 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1C[C@H](O)CC(F)(F)C1 ZINC000787438400 648109170 /nfs/dbraw/zinc/10/91/70/648109170.db2.gz QIFRSXLPIFNTIQ-SNVBAGLBSA-N -1 3 277.698 2.248 20 10 CECDHM CCCCCOC1CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000790838812 648455119 /nfs/dbraw/zinc/45/51/19/648455119.db2.gz JFXAJLODCGUNAL-UHFFFAOYSA-N -1 3 279.336 2.129 20 10 CECDHM CC(C)O[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000790934200 648461972 /nfs/dbraw/zinc/46/19/72/648461972.db2.gz HULBFKDSXQGKJV-CHWSQXEVSA-N -1 3 293.363 2.420 20 10 CECDHM COCCN(C(=O)c1cccc(O)c1[O-])[C@@H]1CC[C@H](C)C1 ZINC000791772881 648564778 /nfs/dbraw/zinc/56/47/78/648564778.db2.gz FDSPFGCCHJIJBF-NWDGAFQWSA-N -1 3 293.363 2.375 20 10 CECDHM CN(Cc1c([O-])ccc(Cl)c1F)C1CC(O)C1 ZINC000792174089 648620019 /nfs/dbraw/zinc/62/00/19/648620019.db2.gz GJUAIAMMCZOYDX-UHFFFAOYSA-N -1 3 259.708 2.140 20 10 CECDHM Cc1ccc(C(=O)Nc2cnn3c2CCCC3)c([O-])c1O ZINC000870697545 648883433 /nfs/dbraw/zinc/88/34/33/648883433.db2.gz XTLIYGHYHFOKEK-UHFFFAOYSA-N -1 3 287.319 2.191 20 10 CECDHM O=C(Nc1cnn(C2CCC2)c1)c1cccc(O)c1[O-] ZINC000889056474 652615033 /nfs/dbraw/zinc/61/50/33/652615033.db2.gz AEPVHLJOXIRTQL-UHFFFAOYSA-N -1 3 273.292 2.272 20 10 CECDHM Cc1cc(Br)c([O-])c(CN2CC[C@@H](O)C2)c1 ZINC000134753679 652871686 /nfs/dbraw/zinc/87/16/86/652871686.db2.gz FYHDSLMLZXNCOD-SNVBAGLBSA-N -1 3 286.169 2.030 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CCN(C2CCC2)CC1 ZINC001142509006 806609178 /nfs/dbraw/zinc/60/91/78/806609178.db2.gz SSRGFQIHNNNSTP-UHFFFAOYSA-N -1 3 282.334 2.341 20 10 CECDHM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc(O)c1[O-] ZINC000694453983 803555836 /nfs/dbraw/zinc/55/58/36/803555836.db2.gz OHTMKTYSCNXAAD-SCVCMEIPSA-N -1 3 261.321 2.264 20 10 CECDHM [O-]c1c(F)cc(Br)cc1CNCCF ZINC000715711226 814986872 /nfs/dbraw/zinc/98/68/72/814986872.db2.gz FGWHYSQJPMLCHB-UHFFFAOYSA-N -1 3 266.085 2.353 20 10 CECDHM CC(=O)[C@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335254 807395184 /nfs/dbraw/zinc/39/51/84/807395184.db2.gz NRIWLHJAYPLJDU-JTQLQIEISA-N -1 3 269.291 2.471 20 10 CECDHM CC(=O)[C@@H]1CCCCN1Cc1c([O-])cccc1F ZINC001137839138 809817191 /nfs/dbraw/zinc/81/71/91/809817191.db2.gz SVLQBTDETIJWAH-ZDUSSCGKSA-N -1 3 251.301 2.475 20 10 CECDHM Cc1nnsc1CNCc1cc(F)cc(F)c1[O-] ZINC000708502423 809944140 /nfs/dbraw/zinc/94/41/40/809944140.db2.gz LMKWBTOSELNGBB-UHFFFAOYSA-N -1 3 271.292 2.120 20 10 CECDHM Cc1nnc(CNCc2cc(Cl)ccc2[O-])s1 ZINC000391852593 813291083 /nfs/dbraw/zinc/29/10/83/813291083.db2.gz SKKIKLYUWOWDRZ-UHFFFAOYSA-N -1 3 269.757 2.495 20 10 CECDHM Cc1cc(C)c(NC(=O)c2cccc(O)c2[O-])cn1 ZINC001148212959 814537616 /nfs/dbraw/zinc/53/76/16/814537616.db2.gz RISLEQOYBJXLTQ-UHFFFAOYSA-N -1 3 258.277 2.362 20 10 CECDHM Cc1cc2ncc(C)c(NC(=O)c3cccc(O)c3[O-])n2n1 ZINC001148212923 814537659 /nfs/dbraw/zinc/53/76/59/814537659.db2.gz OQJMJOJVOIWWKH-UHFFFAOYSA-N -1 3 298.302 2.010 20 10 CECDHM CC(C)(NC(=O)c1cccc(O)c1[O-])C(=O)c1ccccc1 ZINC001148219941 814538049 /nfs/dbraw/zinc/53/80/49/814538049.db2.gz HEUDQVQEENJUMR-UHFFFAOYSA-N -1 3 299.326 2.489 20 10 CECDHM Cc1cc(C)c(NC(=O)c2cc(O)c([O-])c(O)c2)cn1 ZINC001148581614 814590529 /nfs/dbraw/zinc/59/05/29/814590529.db2.gz QTGYZCWZSIENOF-UHFFFAOYSA-N -1 3 274.276 2.068 20 10 CECDHM Cc1cc2n(n1)c(=O)cc(C)n2Cc1cccc(F)c1[O-] ZINC001138127411 815733433 /nfs/dbraw/zinc/73/34/33/815733433.db2.gz ACYGFKVTCCMDIJ-UHFFFAOYSA-N -1 3 287.294 2.006 20 10 CECDHM CCOC(=O)[C@@H]1CN(Cc2cccc(F)c2[O-])CCS1 ZINC001138129864 815734151 /nfs/dbraw/zinc/73/41/51/815734151.db2.gz XDGNFDREDKVOOI-LBPRGKRZSA-N -1 3 299.367 2.012 20 10 CECDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(N)ccc1C ZINC001174563515 816049656 /nfs/dbraw/zinc/04/96/56/816049656.db2.gz XUSOEDHXZHIPNL-UHFFFAOYSA-N -1 3 292.360 2.392 20 10 CECDHM CN(c1ccc(N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001175432860 816201973 /nfs/dbraw/zinc/20/19/73/816201973.db2.gz MYNNWSDSJDSSHK-UHFFFAOYSA-N -1 3 266.308 2.217 20 10 CECDHM CC(C)(C)N1CCN(Cc2c([O-])cccc2Cl)CC1=O ZINC001140341568 816238628 /nfs/dbraw/zinc/23/86/28/816238628.db2.gz WUAZSAONGZZDQA-UHFFFAOYSA-N -1 3 296.798 2.488 20 10 CECDHM C[C@H]1C[C@H](O)CCN1Cc1c([O-])cc(F)cc1F ZINC001140583287 816291946 /nfs/dbraw/zinc/29/19/46/816291946.db2.gz CUYGHWGOFAGTGA-WCBMZHEXSA-N -1 3 257.280 2.016 20 10 CECDHM COC(=O)[C@H]1CC[C@@H](C)N(Cc2c([O-])cc(F)cc2F)C1 ZINC001140583752 816293998 /nfs/dbraw/zinc/29/39/98/816293998.db2.gz RMJSMVDEFHGWEJ-ZJUUUORDSA-N -1 3 299.317 2.444 20 10 CECDHM CCCCN(CC(N)=O)Cc1cccc(Cl)c1[O-] ZINC000124551794 365654785 /nfs/dbraw/zinc/65/47/85/365654785.db2.gz MACNUKPEDANBOK-UHFFFAOYSA-N -1 3 270.760 2.133 20 10 CECDHM CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCOC1 ZINC000132069566 366115450 /nfs/dbraw/zinc/11/54/50/366115450.db2.gz CSIRMKFQCFKDDD-SNVBAGLBSA-N -1 3 286.715 2.175 20 10 CECDHM CN(CCS(C)(=O)=O)Cc1c([O-])ccc2ccccc21 ZINC000076265712 363532893 /nfs/dbraw/zinc/53/28/93/363532893.db2.gz KZLVWRGQGIKDLK-UHFFFAOYSA-N -1 3 293.388 2.022 20 10 CECDHM Cc1cc(Cl)cc(CN2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000187536030 369173821 /nfs/dbraw/zinc/17/38/21/369173821.db2.gz XWDKPWYKKCEYHZ-OAHLLOKOSA-N -1 3 297.782 2.345 20 10 CECDHM C[C@@H](N[C@@H](C)C(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000188998852 369439437 /nfs/dbraw/zinc/43/94/37/369439437.db2.gz DGOVIDMLXGAOSZ-BDAKNGLRSA-N -1 3 270.760 2.173 20 10 CECDHM CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2ccccc2[O-])C1 ZINC000190144612 369599963 /nfs/dbraw/zinc/59/99/63/369599963.db2.gz GNUMFMBTXTXXMK-OLZOCXBDSA-N -1 3 289.335 2.046 20 10 CECDHM Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCCCO2)c([O-])c1O ZINC000272890637 373695945 /nfs/dbraw/zinc/69/59/45/373695945.db2.gz ARECRYSGVTWLHF-CMPLNLGQSA-N -1 3 279.336 2.094 20 10 CECDHM COC(=O)CN(Cc1cc(Cl)cc(OC)c1[O-])C1CC1 ZINC000273766654 373770189 /nfs/dbraw/zinc/77/01/89/373770189.db2.gz PYSLBAHTISNNGB-UHFFFAOYSA-N -1 3 299.754 2.192 20 10 CECDHM C[C@@H](N[C@H](CO)c1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000273536951 373762706 /nfs/dbraw/zinc/76/27/06/373762706.db2.gz XOEKHWIGISUDCH-NOZJJQNGSA-N -1 3 295.770 2.163 20 10 CECDHM C[C@@H](NCc1ccn(C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273557682 373764482 /nfs/dbraw/zinc/76/44/82/373764482.db2.gz HFAPTJLNYDBUFA-SNVBAGLBSA-N -1 3 275.308 2.490 20 10 CECDHM CO[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000371687537 373949458 /nfs/dbraw/zinc/94/94/58/373949458.db2.gz YZXRHRLTFSTBOG-NSHDSACASA-N -1 3 279.336 2.047 20 10 CECDHM C[C@H]1CN(Cc2c([O-])ccc3ccccc32)CC(=O)N1C ZINC000281732967 375394536 /nfs/dbraw/zinc/39/45/36/375394536.db2.gz AWEKGQLSJSDDGR-LBPRGKRZSA-N -1 3 284.359 2.208 20 10 CECDHM O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cccc(O)c1[O-] ZINC000365700199 394932214 /nfs/dbraw/zinc/93/22/14/394932214.db2.gz DJOUEQLEXYRIKR-UHFFFAOYSA-N -1 3 296.286 2.135 20 10 CECDHM CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158064922 395036917 /nfs/dbraw/zinc/03/69/17/395036917.db2.gz ATDCNNDJSJGMFQ-CYBMUJFWSA-N -1 3 282.771 2.146 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)C3(CC3)C2)c1[O-] ZINC000372297721 395038721 /nfs/dbraw/zinc/03/87/21/395038721.db2.gz VYRATXHZBRXDKL-CYBMUJFWSA-N -1 3 295.766 2.205 20 10 CECDHM CCCCCN1CC(=O)N[C@@H]1c1cc(F)ccc1[O-] ZINC000182317575 395239514 /nfs/dbraw/zinc/23/95/14/395239514.db2.gz HRFRGRRUKMJOPY-AWEZNQCLSA-N -1 3 266.316 2.152 20 10 CECDHM Cc1ccc(C(=O)NCCOCCC(C)C)c([O-])c1O ZINC000179458714 395193797 /nfs/dbraw/zinc/19/37/97/395193797.db2.gz SQRZKJWDPSFXGB-UHFFFAOYSA-N -1 3 281.352 2.199 20 10 CECDHM COc1cc(Cl)cc(CN(C)Cc2cnccn2)c1[O-] ZINC000184684382 262025477 /nfs/dbraw/zinc/02/54/77/262025477.db2.gz KCXOBCZAPKKQLM-UHFFFAOYSA-N -1 3 293.754 2.476 20 10 CECDHM CC[C@@H](C)CONC(=O)c1ccc(C)c(O)c1[O-] ZINC000293826440 263150454 /nfs/dbraw/zinc/15/04/54/263150454.db2.gz VLOZXJUECMPNCH-MRVPVSSYSA-N -1 3 253.298 2.114 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCOCC[C@@H]2C)c1[O-] ZINC000362235801 266948647 /nfs/dbraw/zinc/94/86/47/266948647.db2.gz LFOHKIRQRVFDEG-JTQLQIEISA-N -1 3 281.327 2.345 20 10 CECDHM Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1ccccc1[O-] ZINC000368461528 267173794 /nfs/dbraw/zinc/17/37/94/267173794.db2.gz JEJWTSKKHFZQOF-AWEZNQCLSA-N -1 3 287.363 2.306 20 10 CECDHM Cc1ccc(C(=O)N2CCOCC3(CCC3)C2)c([O-])c1O ZINC000368869870 267210122 /nfs/dbraw/zinc/21/01/22/267210122.db2.gz QEIQFKNINXJCOI-UHFFFAOYSA-N -1 3 291.347 2.049 20 10 CECDHM CC[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000376635524 268004420 /nfs/dbraw/zinc/00/44/20/268004420.db2.gz WYFYEAXGEKGHOA-GOEBONIOSA-N -1 3 295.354 2.301 20 10 CECDHM CC[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000376635523 268004684 /nfs/dbraw/zinc/00/46/84/268004684.db2.gz WYFYEAXGEKGHOA-GDBMZVCRSA-N -1 3 295.354 2.301 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC3(CCO3)CC2)c1[O-] ZINC000377120963 268049533 /nfs/dbraw/zinc/04/95/33/268049533.db2.gz RPFPZFGFBJGJGE-UHFFFAOYSA-N -1 3 293.338 2.489 20 10 CECDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000268838971 280368967 /nfs/dbraw/zinc/36/89/67/280368967.db2.gz MTBSYKMQTRBGFK-GFCCVEGCSA-N -1 3 288.307 2.191 20 10 CECDHM Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)c([O-])c1O ZINC000179543244 327802241 /nfs/dbraw/zinc/80/22/41/327802241.db2.gz NFMZEQBWZNSXTN-PHIMTYICSA-N -1 3 261.321 2.278 20 10 CECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1COc2ccccc21 ZINC000187204772 329355085 /nfs/dbraw/zinc/35/50/85/329355085.db2.gz HZGMMZHBCORZFP-GXFFZTMASA-N -1 3 299.326 2.392 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCOCC2(C)C)c1[O-] ZINC000048945888 518284564 /nfs/dbraw/zinc/28/45/64/518284564.db2.gz JREOPCKRBBIDEQ-UHFFFAOYSA-N -1 3 281.327 2.345 20 10 CECDHM CC(C)[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000279778167 519805030 /nfs/dbraw/zinc/80/50/30/519805030.db2.gz HDFMFNKDXKKDHA-GWCFXTLKSA-N -1 3 279.336 2.031 20 10 CECDHM CC[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCS1 ZINC000126565367 523425615 /nfs/dbraw/zinc/42/56/15/523425615.db2.gz ANGTZYSFEKHOGN-SECBINFHSA-N -1 3 267.350 2.065 20 10 CECDHM C[C@H]1C[C@H]1c1cc(NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000192993356 524967773 /nfs/dbraw/zinc/96/77/73/524967773.db2.gz CIUNUGIXUQAUEJ-IONNQARKSA-N -1 3 273.292 2.197 20 10 CECDHM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1nncn1C ZINC000062746964 525609788 /nfs/dbraw/zinc/60/97/88/525609788.db2.gz XDYBETDOFFFZPI-DTWKUNHWSA-N -1 3 264.304 2.072 20 10 CECDHM Cc1ccc(C(=O)N2CCCC[C@@H]2C[C@H](C)O)c([O-])c1O ZINC000279860420 526091746 /nfs/dbraw/zinc/09/17/46/526091746.db2.gz SHXMHXYEAIPWJF-NWDGAFQWSA-N -1 3 293.363 2.172 20 10 CECDHM CCOC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731870571 574604505 /nfs/dbraw/zinc/60/45/05/574604505.db2.gz QUILCIDITMLFCH-UHFFFAOYSA-N -1 3 255.339 2.095 20 10 CECDHM O=C(NC[C@@H](O)c1cccc(F)c1)c1cc([O-])cs1 ZINC000731871405 574604573 /nfs/dbraw/zinc/60/45/73/574604573.db2.gz JSRXNCYDHPSZHV-LLVKDONJSA-N -1 3 281.308 2.056 20 10 CECDHM COC(=O)Cc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000732266377 574616521 /nfs/dbraw/zinc/61/65/21/574616521.db2.gz AHMMACSBRGAMAL-UHFFFAOYSA-N -1 3 291.328 2.422 20 10 CECDHM C[C@@H](COCC(F)(F)F)NC(=O)c1cc([O-])cs1 ZINC000732280036 574617712 /nfs/dbraw/zinc/61/77/12/574617712.db2.gz SLZJGABQFWLFKE-LURJTMIESA-N -1 3 283.271 2.151 20 10 CECDHM Cc1ccccc1[C@@H](O)CNC(=O)c1cc([O-])cs1 ZINC000732832147 574633242 /nfs/dbraw/zinc/63/32/42/574633242.db2.gz FQIMWJBOLWVEAA-LBPRGKRZSA-N -1 3 277.345 2.226 20 10 CECDHM O=C(Nc1cc(C2CCOCC2)[nH]n1)c1cc([O-])cs1 ZINC000743730814 575109209 /nfs/dbraw/zinc/10/92/09/575109209.db2.gz FUVMWGGYAWBPSE-UHFFFAOYSA-N -1 3 293.348 2.323 20 10 CECDHM CC1(CNCc2c([O-])ccc(Cl)c2F)OCCCO1 ZINC000752923976 575316137 /nfs/dbraw/zinc/31/61/37/575316137.db2.gz JZUCYCMBQICUHM-UHFFFAOYSA-N -1 3 289.734 2.427 20 10 CECDHM CCCC[C@H](C(=O)[O-])[N@H+](C)Cc1ccccc1[O-] ZINC000829276399 601006482 /nfs/dbraw/zinc/00/64/82/601006482.db2.gz KJOXQOMYEALHMG-GFCCVEGCSA-N -1 3 251.326 2.467 20 10 CECDHM CCCC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[O-] ZINC000829276399 601006484 /nfs/dbraw/zinc/00/64/84/601006484.db2.gz KJOXQOMYEALHMG-GFCCVEGCSA-N -1 3 251.326 2.467 20 10 CECDHM CC1(NCc2cc(Br)cc(F)c2[O-])COC1 ZINC000895444429 630188253 /nfs/dbraw/zinc/18/82/53/630188253.db2.gz SXTDMXIJLCIYBZ-UHFFFAOYSA-N -1 3 290.132 2.172 20 10 CECDHM Cc1cc([O-])c(CN2CCCn3nncc3C2)cc1Cl ZINC000895757912 630333491 /nfs/dbraw/zinc/33/34/91/630333491.db2.gz YQDSTQOAACMOBL-UHFFFAOYSA-N -1 3 292.770 2.351 20 10 CECDHM [O-]c1ccc2ccncc2c1CN1CC(OC(F)F)C1 ZINC000797820770 630760893 /nfs/dbraw/zinc/76/08/93/630760893.db2.gz NCLXPTYQWVRYBU-UHFFFAOYSA-N -1 3 280.274 2.364 20 10 CECDHM CCn1ncnc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000816596811 633419308 /nfs/dbraw/zinc/41/93/08/633419308.db2.gz ROOJSIISHXAVBG-UHFFFAOYSA-N -1 3 284.722 2.086 20 10 CECDHM CCOc1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c([O-])c1 ZINC000817881840 633751918 /nfs/dbraw/zinc/75/19/18/633751918.db2.gz PTDSIZIPEATBHL-WCQYABFASA-N -1 3 293.363 2.334 20 10 CECDHM CCOc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)c([O-])c1 ZINC000817881840 633751935 /nfs/dbraw/zinc/75/19/35/633751935.db2.gz PTDSIZIPEATBHL-WCQYABFASA-N -1 3 293.363 2.334 20 10 CECDHM C[C@@H](NCc1cnc2n1CCOC2)c1c([O-])cccc1F ZINC000903421481 635122998 /nfs/dbraw/zinc/12/29/98/635122998.db2.gz UMGQOOGYNJYGLV-SNVBAGLBSA-N -1 3 291.326 2.109 20 10 CECDHM COC[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC000824835925 635507538 /nfs/dbraw/zinc/50/75/38/635507538.db2.gz CSDVTPLSVNNDRU-GFCCVEGCSA-N -1 3 285.771 2.201 20 10 CECDHM Cc1nc(CN(C)Cc2c([O-])cccc2Cl)no1 ZINC000827892299 636453962 /nfs/dbraw/zinc/45/39/62/636453962.db2.gz VLWGOLAFFIYWFG-UHFFFAOYSA-N -1 3 267.716 2.369 20 10 CECDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1OC ZINC000126206451 650471334 /nfs/dbraw/zinc/47/13/34/650471334.db2.gz RRWHEGFXCPABJV-UHFFFAOYSA-N -1 3 289.287 2.367 20 10 CECDHM CC(C)[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000913861456 640146275 /nfs/dbraw/zinc/14/62/75/640146275.db2.gz ZTHHRGISGLZXKW-SECBINFHSA-N -1 3 254.305 2.375 20 10 CECDHM CC1(CS(=O)(=O)NCc2c([O-])cccc2F)CCC1 ZINC000921452750 641285071 /nfs/dbraw/zinc/28/50/71/641285071.db2.gz YHFRKNUAXXOJKI-UHFFFAOYSA-N -1 3 287.356 2.141 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)Cc2nc(C)no2)c1[O-] ZINC000847091120 641565247 /nfs/dbraw/zinc/56/52/47/641565247.db2.gz FIZSDWCWHDWLJP-UHFFFAOYSA-N -1 3 293.298 2.057 20 10 CECDHM C[C@H](NCc1nnn(C(C)(C)C)n1)c1cc(F)ccc1[O-] ZINC000848561235 642055075 /nfs/dbraw/zinc/05/50/75/642055075.db2.gz RWASKKAHKRKZBJ-VIFPVBQESA-N -1 3 293.346 2.124 20 10 CECDHM O=c1[nH]ccc2c1CN(Cc1ccc(F)c(F)c1[O-])CC2 ZINC000877476223 650739803 /nfs/dbraw/zinc/73/98/03/650739803.db2.gz YKRRFOIFUYFOAT-UHFFFAOYSA-N -1 3 292.285 2.329 20 10 CECDHM C[C@H]1C[C@@H](CNC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000921760348 642586416 /nfs/dbraw/zinc/58/64/16/642586416.db2.gz QEHBIYIYEQVNBK-QWRGUYRKSA-N -1 3 296.342 2.146 20 10 CECDHM COCc1nnc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])[n-]1 ZINC000850517727 642737616 /nfs/dbraw/zinc/73/76/16/642737616.db2.gz ZWGZVOJUCJLJEH-MRVPVSSYSA-N -1 3 296.758 2.161 20 10 CECDHM COCCC(C)(C)CNC(=O)NCc1c([O-])cccc1F ZINC000921966689 642815175 /nfs/dbraw/zinc/81/51/75/642815175.db2.gz KUYNTSPZWAAPBX-UHFFFAOYSA-N -1 3 298.358 2.393 20 10 CECDHM [O-]c1c(CN2C[C@H]3[C@@H](C2)C3(F)F)ccc(F)c1F ZINC000877615116 650815703 /nfs/dbraw/zinc/81/57/03/650815703.db2.gz NCMUSEGNGUOZSM-OCAPTIKFSA-N -1 3 261.218 2.367 20 10 CECDHM COc1cc(CNCc2c([O-])ccc(Cl)c2F)on1 ZINC000877635290 650827114 /nfs/dbraw/zinc/82/71/14/650827114.db2.gz LMBFYFQQEXAFBU-UHFFFAOYSA-N -1 3 286.690 2.471 20 10 CECDHM C[C@@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)CS1 ZINC000922881997 643308257 /nfs/dbraw/zinc/30/82/57/643308257.db2.gz LBMWOOMXBXVZQP-RKDXNWHRSA-N -1 3 284.356 2.225 20 10 CECDHM CCc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])[nH]n1 ZINC000756572114 644670875 /nfs/dbraw/zinc/67/08/75/644670875.db2.gz IYBOEXSTJQWRQZ-SECBINFHSA-N -1 3 290.323 2.437 20 10 CECDHM O=C(Nc1cc(Cl)ccn1)c1cccc(O)c1[O-] ZINC000126907086 650998207 /nfs/dbraw/zinc/99/82/07/650998207.db2.gz XQBXOTDMYTYFCC-UHFFFAOYSA-N -1 3 264.668 2.399 20 10 CECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C)C1(F)F ZINC000862437739 646458911 /nfs/dbraw/zinc/45/89/11/646458911.db2.gz IMLBPMCYALDUIL-RKDXNWHRSA-N -1 3 285.290 2.461 20 10 CECDHM COCCN(CCOC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775638236 646975136 /nfs/dbraw/zinc/97/51/36/646975136.db2.gz DMRGTMTXTJXEJE-UHFFFAOYSA-N -1 3 291.750 2.280 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1C[C@@H](O)CC(F)(F)C1 ZINC000787438399 648109025 /nfs/dbraw/zinc/10/90/25/648109025.db2.gz QIFRSXLPIFNTIQ-JTQLQIEISA-N -1 3 277.698 2.248 20 10 CECDHM COc1ccc(CNC(=O)c2cccc(O)c2[O-])c(F)c1 ZINC000790878212 648457357 /nfs/dbraw/zinc/45/73/57/648457357.db2.gz QPBDRMPUUAUOTM-UHFFFAOYSA-N -1 3 291.278 2.176 20 10 CECDHM CC1(C)CN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1O ZINC000790936315 648462186 /nfs/dbraw/zinc/46/21/86/648462186.db2.gz AVLMNIXORDGIKD-LLVKDONJSA-N -1 3 273.735 2.387 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCNCC(F)(F)C1 ZINC001210814744 802740284 /nfs/dbraw/zinc/74/02/84/802740284.db2.gz HJCYIIISLKTUFT-UHFFFAOYSA-N -1 3 276.714 2.086 20 10 CECDHM COC1C[C@@H]2COC[C@H](C1)N2Cc1ccc(Cl)cc1[O-] ZINC001140465925 802951830 /nfs/dbraw/zinc/95/18/30/802951830.db2.gz WFEPFPGNHKOJHS-PBWFPOADSA-N -1 3 297.782 2.424 20 10 CECDHM C[C@@H]1COCCN1Cc1c([O-])cccc1Br ZINC000707133946 809881654 /nfs/dbraw/zinc/88/16/54/809881654.db2.gz FFBHWKVYWQSGCA-SECBINFHSA-N -1 3 286.169 2.375 20 10 CECDHM CC(C)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708401435 809930205 /nfs/dbraw/zinc/93/02/05/809930205.db2.gz SEGDDQPUHCEWJI-UHFFFAOYSA-N -1 3 270.323 2.196 20 10 CECDHM O=C(Nc1cc(Cl)c[nH]c1=O)c1cccc(O)c1[O-] ZINC001148212042 814536008 /nfs/dbraw/zinc/53/60/08/814536008.db2.gz IZXDWURAYJSBLI-UHFFFAOYSA-N -1 3 280.667 2.104 20 10 CECDHM Cc1nc(Cl)ncc1NC(=O)c1cccc(O)c1[O-] ZINC001148212722 814536653 /nfs/dbraw/zinc/53/66/53/814536653.db2.gz IASCGSOGKQWZSR-UHFFFAOYSA-N -1 3 279.683 2.102 20 10 CECDHM O=C(Nc1cccc(Cl)c1CO)c1cccc(O)c1[O-] ZINC001148218992 814537828 /nfs/dbraw/zinc/53/78/28/814537828.db2.gz QKPVSVKDIBDYNX-UHFFFAOYSA-N -1 3 293.706 2.496 20 10 CECDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCCC(F)(F)CC1 ZINC001148580447 814590211 /nfs/dbraw/zinc/59/02/11/814590211.db2.gz GFEYWLVAPLZXFE-UHFFFAOYSA-N -1 3 287.262 2.065 20 10 CECDHM [O-]c1cccnc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001138396615 815790299 /nfs/dbraw/zinc/79/02/99/815790299.db2.gz VOFVUXJQHYIAKM-UHFFFAOYSA-N -1 3 286.331 2.147 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CCCC[C@H](O)C1 ZINC001139685645 816081074 /nfs/dbraw/zinc/08/10/74/816081074.db2.gz RGXLPTHRKZBNFZ-VIFPVBQESA-N -1 3 257.280 2.017 20 10 CECDHM C[C@@H]1CCN(Cc2c([O-])c(F)ccc2F)C[C@]1(C)O ZINC001139685686 816082608 /nfs/dbraw/zinc/08/26/08/816082608.db2.gz SSSJWQAAJDGPCJ-OTYXRUKQSA-N -1 3 271.307 2.263 20 10 CECDHM O=C1CCCN(Cc2c([O-])cccc2Br)C1 ZINC001140101439 816189163 /nfs/dbraw/zinc/18/91/63/816189163.db2.gz RQFDSIZKJARWIQ-UHFFFAOYSA-N -1 3 284.153 2.320 20 10 CECDHM [O-]c1cnccc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001140280272 816225526 /nfs/dbraw/zinc/22/55/26/816225526.db2.gz DUHSEUXJOGWMNA-UHFFFAOYSA-N -1 3 286.331 2.147 20 10 CECDHM [O-]c1cccc(Cl)c1CN1C[C@@H](CO)CC(F)(F)C1 ZINC001140337707 816235748 /nfs/dbraw/zinc/23/57/48/816235748.db2.gz AFKUELMWXFDNNE-VIFPVBQESA-N -1 3 291.725 2.495 20 10 CECDHM Cn1ncc2c1CCN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140464610 816259744 /nfs/dbraw/zinc/25/97/44/816259744.db2.gz WWFKFKHRGNUAEP-UHFFFAOYSA-N -1 3 277.755 2.337 20 10 CECDHM COC(=O)[C@@H]1CCCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140585894 816295083 /nfs/dbraw/zinc/29/50/83/816295083.db2.gz VLBNPJSDRPPUBW-SNVBAGLBSA-N -1 3 299.317 2.446 20 10 CECDHM CC(C)CNC(=O)CNCc1cc(Cl)cc(F)c1[O-] ZINC001177713392 816610622 /nfs/dbraw/zinc/61/06/22/816610622.db2.gz WVGJUKVRKSUFBH-UHFFFAOYSA-N -1 3 288.750 2.047 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@]2(CCO2)C1 ZINC001142524999 816681296 /nfs/dbraw/zinc/68/12/96/816681296.db2.gz SOZHQMRNRCPGGW-CQSZACIVSA-N -1 3 269.291 2.425 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCC(n2cncn2)CC1 ZINC000092647828 364091630 /nfs/dbraw/zinc/09/16/30/364091630.db2.gz PRMYEMYELLBYDW-UHFFFAOYSA-N -1 3 292.770 2.474 20 10 CECDHM CCC(=O)[C@H]1CCCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000185817259 368866534 /nfs/dbraw/zinc/86/65/34/368866534.db2.gz YFHKYSYGRJLCIV-GFCCVEGCSA-N -1 3 291.347 2.380 20 10 CECDHM C[C@@H](NCC1(C)OCCO1)c1ccc(F)c(F)c1[O-] ZINC000187813401 369228353 /nfs/dbraw/zinc/22/83/53/369228353.db2.gz VCQYJYAMSXUKQT-MRVPVSSYSA-N -1 3 273.279 2.084 20 10 CECDHM CC1(C)C[C@@H](NC(=O)c2cccc(O)c2[O-])C(C)(C)O1 ZINC000189560454 369539306 /nfs/dbraw/zinc/53/93/06/369539306.db2.gz UFZCKWUBVIUIFO-LLVKDONJSA-N -1 3 279.336 2.174 20 10 CECDHM CO[C@@]1(C)C[C@H](N(C)C(=O)c2cccc(O)c2[O-])C1(C)C ZINC000193131168 369897218 /nfs/dbraw/zinc/89/72/18/369897218.db2.gz MNALCRXRBAJENH-LRDDRELGSA-N -1 3 293.363 2.373 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000272214344 373366013 /nfs/dbraw/zinc/36/60/13/373366013.db2.gz AZXDYLMBUQEZTF-JQWIXIFHSA-N -1 3 293.260 2.419 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000272214348 373366039 /nfs/dbraw/zinc/36/60/39/373366039.db2.gz AZXDYLMBUQEZTF-ZYHUDNBSSA-N -1 3 293.260 2.419 20 10 CECDHM C[C@@H](NCc1nnc2n1CCC2)c1cc(Cl)ccc1[O-] ZINC000273361408 373753397 /nfs/dbraw/zinc/75/33/97/373753397.db2.gz DCEFCDYFQLTTFA-SECBINFHSA-N -1 3 292.770 2.434 20 10 CECDHM CCc1nnc(CNCc2c([O-])cccc2Cl)[nH]1 ZINC000296019442 378392105 /nfs/dbraw/zinc/39/21/05/378392105.db2.gz MFDXVOGFYJTHAQ-UHFFFAOYSA-N -1 3 266.732 2.016 20 10 CECDHM CN(CC(=O)N1CCc2ccccc21)Cc1ccccc1[O-] ZINC000109768968 394735423 /nfs/dbraw/zinc/73/54/23/394735423.db2.gz YIWMQUFIXLPCCQ-UHFFFAOYSA-N -1 3 296.370 2.413 20 10 CECDHM CNC(=O)CCCN(C)Cc1c([O-])cccc1Cl ZINC000131834054 394920367 /nfs/dbraw/zinc/92/03/67/394920367.db2.gz ZRDJJQNRLAWEOV-UHFFFAOYSA-N -1 3 270.760 2.004 20 10 CECDHM C[C@H](O)[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293490054 395236251 /nfs/dbraw/zinc/23/62/51/395236251.db2.gz ANGJQGKKWDAVBM-IUCAKERBSA-N -1 3 273.735 2.387 20 10 CECDHM Cc1nnsc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293730196 395249644 /nfs/dbraw/zinc/24/96/44/395249644.db2.gz QACDFVVSUQTOFC-SSDOTTSWSA-N -1 3 294.336 2.311 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2CCOC3(CCC3)C2)c([O-])c1O ZINC000272731173 292074807 /nfs/dbraw/zinc/07/48/07/292074807.db2.gz KBCUMBYUWISBSZ-LLVKDONJSA-N -1 3 291.347 2.238 20 10 CECDHM C[C@@H](NCC(F)(F)CO)c1cc(Cl)ccc1[O-] ZINC000184694446 262026116 /nfs/dbraw/zinc/02/61/16/262026116.db2.gz OQZOANDYTYQYJF-SSDOTTSWSA-N -1 3 265.687 2.324 20 10 CECDHM CCS(=O)(=O)CCN[C@H](C)c1cc(Cl)ccc1[O-] ZINC000185330732 262050932 /nfs/dbraw/zinc/05/09/32/262050932.db2.gz OMQAUYKWUZEKOY-SECBINFHSA-N -1 3 291.800 2.131 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CC[C@@H](n2cncn2)C1 ZINC000377282300 329009656 /nfs/dbraw/zinc/00/96/56/329009656.db2.gz DCOCZZWZPKBOJI-GFCCVEGCSA-N -1 3 278.743 2.084 20 10 CECDHM Cn1c(Cl)cnc1CNCc1ccccc1[O-] ZINC000134264392 329658170 /nfs/dbraw/zinc/65/81/70/329658170.db2.gz SWTWZXPTJONCIV-UHFFFAOYSA-N -1 3 251.717 2.069 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c([O-])c1O ZINC000248413929 329892843 /nfs/dbraw/zinc/89/28/43/329892843.db2.gz LYLPIHOEKSFHSY-UHTWSYAYSA-N -1 3 291.347 2.094 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2CO)c1[O-] ZINC000050150266 518278124 /nfs/dbraw/zinc/27/81/24/518278124.db2.gz NVXKLFSVGPGGNS-LBPRGKRZSA-N -1 3 283.755 2.205 20 10 CECDHM CC(C)(O)C1CN(Cc2c([O-])cccc2Cl)C1 ZINC000297501680 519338352 /nfs/dbraw/zinc/33/83/52/519338352.db2.gz WETTUXRIVJEMBO-UHFFFAOYSA-N -1 3 255.745 2.248 20 10 CECDHM CC(=O)N(C)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000120478801 519440632 /nfs/dbraw/zinc/44/06/32/519440632.db2.gz PIYWBSAFFPHUEC-UHFFFAOYSA-N -1 3 296.798 2.488 20 10 CECDHM CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(F)cc1[O-] ZINC000188476383 520202725 /nfs/dbraw/zinc/20/27/25/520202725.db2.gz YESBITJUGQZRDO-VHSXEESVSA-N -1 3 268.332 2.049 20 10 CECDHM CC[C@@H](N[C@H](C)c1ncnn1C)c1ccccc1[O-] ZINC000276696464 522941312 /nfs/dbraw/zinc/94/13/12/522941312.db2.gz VHQVQCAZWHKUFU-ZYHUDNBSSA-N -1 3 260.341 2.323 20 10 CECDHM COC(=O)[C@H](c1cccnc1)N(C)Cc1ccccc1[O-] ZINC000121138179 523941044 /nfs/dbraw/zinc/94/10/44/523941044.db2.gz NDILEVZRPUKXFO-HNNXBMFYSA-N -1 3 286.331 2.133 20 10 CECDHM Cc1cc(Cl)cc(CN2CCO[C@H]3C[C@H]32)c1[O-] ZINC000366564075 524865949 /nfs/dbraw/zinc/86/59/49/524865949.db2.gz ZHFSOCWFNUWYES-NEPJUHHUSA-N -1 3 253.729 2.327 20 10 CECDHM C[C@H]1OCC[C@@]12CN(Cc1cc(F)ccc1[O-])C[C@@H](C)O2 ZINC000280358019 525044528 /nfs/dbraw/zinc/04/45/28/525044528.db2.gz CJWQGBYLMDNNLE-XHBSWPGZSA-N -1 3 295.354 2.300 20 10 CECDHM Cc1ccc(C(=O)N[C@@H](C2CC2)C(F)(F)F)c([O-])c1O ZINC000291719906 526197693 /nfs/dbraw/zinc/19/76/93/526197693.db2.gz HEIYYZQMSBSZME-NSHDSACASA-N -1 3 289.253 2.477 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](C2CC2)C1 ZINC000290838538 526771883 /nfs/dbraw/zinc/77/18/83/526771883.db2.gz ICTAWQCITBPABC-LLVKDONJSA-N -1 3 261.321 2.360 20 10 CECDHM COC(=O)c1ccc(COC(=O)c2cc([O-])cs2)o1 ZINC000731909827 574605702 /nfs/dbraw/zinc/60/57/02/574605702.db2.gz LKOUUDMGBGACJJ-UHFFFAOYSA-N -1 3 282.273 2.190 20 10 CECDHM C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1cc([O-])cs1 ZINC000731911234 574605727 /nfs/dbraw/zinc/60/57/27/574605727.db2.gz GZZSQKBRZWZCGU-MWLCHTKSSA-N -1 3 297.376 2.305 20 10 CECDHM O=C(COC(=O)c1cc([O-])cs1)NCC1CCCCC1 ZINC000731911526 574605750 /nfs/dbraw/zinc/60/57/50/574605750.db2.gz KWRKWXUFGHKUDY-UHFFFAOYSA-N -1 3 297.376 2.307 20 10 CECDHM O=C(NCCSC(F)(F)F)c1cc([O-])cs1 ZINC000732272512 574616955 /nfs/dbraw/zinc/61/69/55/574616955.db2.gz VOTDUNDZAYIUGO-UHFFFAOYSA-N -1 3 271.285 2.437 20 10 CECDHM CN(Cc1cc[nH]n1)Cc1c([O-])ccc2ccncc21 ZINC000732665824 574625441 /nfs/dbraw/zinc/62/54/41/574625441.db2.gz VVDCBJRNYPHJIF-UHFFFAOYSA-N -1 3 268.320 2.296 20 10 CECDHM Cc1cccc(CN(C)C(=O)c2cc([O-])cs2)n1 ZINC000741286505 574980529 /nfs/dbraw/zinc/98/05/29/574980529.db2.gz VXRIEGXLEKUYSH-UHFFFAOYSA-N -1 3 262.334 2.429 20 10 CECDHM [O-]c1ccc2ccncc2c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000744435740 575121121 /nfs/dbraw/zinc/12/11/21/575121121.db2.gz JTSPWEYTMSPAOZ-BETUJISGSA-N -1 3 270.332 2.304 20 10 CECDHM O=S(=O)([N-]Cc1ccccc1O)c1cc(F)cc(F)c1 ZINC000751151729 575283364 /nfs/dbraw/zinc/28/33/64/575283364.db2.gz VZTOKOKCAHULCN-UHFFFAOYSA-N -1 3 299.298 2.149 20 10 CECDHM Cc1cc(=O)[n-]c(C=Cc2ccc(N3CCOCC3)cc2)n1 ZINC000752880169 575315961 /nfs/dbraw/zinc/31/59/61/575315961.db2.gz HLPQLDTWDDUISW-DAXSKMNVSA-N -1 3 297.358 2.498 20 10 CECDHM COc1cc(Br)cc(CN2CC(F)C2)c1[O-] ZINC000753576439 575330778 /nfs/dbraw/zinc/33/07/78/575330778.db2.gz MZLUCGDTJPMHAS-UHFFFAOYSA-N -1 3 290.132 2.317 20 10 CECDHM CCOc1ccc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c([O-])c1 ZINC000820387358 598151219 /nfs/dbraw/zinc/15/12/19/598151219.db2.gz LUUNUTMPWJFUBI-GFCCVEGCSA-N -1 3 293.363 2.478 20 10 CECDHM CCOc1ccc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c([O-])c1 ZINC000820387358 598151220 /nfs/dbraw/zinc/15/12/20/598151220.db2.gz LUUNUTMPWJFUBI-GFCCVEGCSA-N -1 3 293.363 2.478 20 10 CECDHM O=C([O-])[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC000405432030 605480111 /nfs/dbraw/zinc/48/01/11/605480111.db2.gz ZICHHUMECWBDJB-LBPRGKRZSA-N -1 3 261.321 2.079 20 10 CECDHM Cc1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000725851873 625960907 /nfs/dbraw/zinc/96/09/07/625960907.db2.gz ZQKNTMACZLHAQF-UHFFFAOYSA-N -1 3 262.265 2.492 20 10 CECDHM COc1ccc2c(c1)CCN2C(=O)c1cccc(O)c1[O-] ZINC000187042959 628265710 /nfs/dbraw/zinc/26/57/10/628265710.db2.gz NCZPETXXBFVFCF-UHFFFAOYSA-N -1 3 285.299 2.309 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000894043211 629099865 /nfs/dbraw/zinc/09/98/65/629099865.db2.gz FDODJTHVWKYQRH-NSHDSACASA-N -1 3 297.223 2.170 20 10 CECDHM CO[C@@](C)([C@@H](C)NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000839827727 630335091 /nfs/dbraw/zinc/33/50/91/630335091.db2.gz AZNQBVNPZMVPTL-PSLIRLAXSA-N -1 3 279.336 2.031 20 10 CECDHM CCOC(=O)[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000896956035 630841968 /nfs/dbraw/zinc/84/19/68/630841968.db2.gz NUDYKBLGIWZGLU-VIFPVBQESA-N -1 3 285.290 2.055 20 10 CECDHM CCOC(=O)[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000896958705 630845370 /nfs/dbraw/zinc/84/53/70/630845370.db2.gz MWRQJWUFSPKOKI-JTQLQIEISA-N -1 3 285.290 2.055 20 10 CECDHM CC(=O)C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811393278 632379356 /nfs/dbraw/zinc/37/93/56/632379356.db2.gz BWHLPYBUPYASTC-UHFFFAOYSA-N -1 3 285.708 2.198 20 10 CECDHM O=C(C1CC1)[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000811502324 632392487 /nfs/dbraw/zinc/39/24/87/632392487.db2.gz PXJNVIMMGMYPNE-CQSZACIVSA-N -1 3 295.766 2.226 20 10 CECDHM COC(C)(C)CCNC(=O)NCc1c([O-])cccc1F ZINC000923897528 632459938 /nfs/dbraw/zinc/45/99/38/632459938.db2.gz YJZZZMADPHFSPD-UHFFFAOYSA-N -1 3 284.331 2.146 20 10 CECDHM C[C@H](NCC(F)(F)CN)c1cc(Cl)ccc1[O-] ZINC000817965843 633808240 /nfs/dbraw/zinc/80/82/40/633808240.db2.gz DBUNOEGVUXANRJ-ZETCQYMHSA-N -1 3 264.703 2.290 20 10 CECDHM COC(=O)[C@@H]1CCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000824547987 635448107 /nfs/dbraw/zinc/44/81/07/635448107.db2.gz HBNPCNLPIGAOKG-LBPRGKRZSA-N -1 3 283.755 2.491 20 10 CECDHM CN(Cc1c[nH]cn1)Cc1c([O-])cccc1Cl ZINC000826768488 635841158 /nfs/dbraw/zinc/84/11/58/635841158.db2.gz ANWPGOBLLCOWSM-UHFFFAOYSA-N -1 3 251.717 2.401 20 10 CECDHM [O-]c1c(Br)cccc1CN1CC[C@@]2(O)C[C@H]2C1 ZINC000827293287 636282141 /nfs/dbraw/zinc/28/21/41/636282141.db2.gz XRVIMKALQDXBSY-GXFFZTMASA-N -1 3 298.180 2.111 20 10 CECDHM C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1O ZINC000827964562 636473439 /nfs/dbraw/zinc/47/34/39/636473439.db2.gz QJJUKZDWGBPDPW-VIFPVBQESA-N -1 3 299.330 2.256 20 10 CECDHM O=C(NC1([C@H]2CCCCO2)CCC1)c1cccc(O)c1[O-] ZINC000830166602 636997265 /nfs/dbraw/zinc/99/72/65/636997265.db2.gz LIMBMHNDLPBZFI-CYBMUJFWSA-N -1 3 291.347 2.319 20 10 CECDHM C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCS1 ZINC000834656751 637908655 /nfs/dbraw/zinc/90/86/55/637908655.db2.gz YKCKMIBKQCTXIV-IUCAKERBSA-N -1 3 267.350 2.112 20 10 CECDHM CCN1C(=O)C(C)(C)N[C@@H]1c1cc(Cl)cc(OC)c1[O-] ZINC000840837589 639558158 /nfs/dbraw/zinc/55/81/58/639558158.db2.gz JROCEZCUSDUQPR-LBPRGKRZSA-N -1 3 298.770 2.283 20 10 CECDHM O=C(CNCc1ccc(F)c(F)c1[O-])NC1CCCCC1 ZINC000877010275 650530564 /nfs/dbraw/zinc/53/05/64/650530564.db2.gz RSHVXUYBVVJMIQ-UHFFFAOYSA-N -1 3 298.333 2.209 20 10 CECDHM CCn1cc(CNCc2c([O-])cc(C)cc2Cl)nn1 ZINC000850366699 642685005 /nfs/dbraw/zinc/68/50/05/642685005.db2.gz JJZCRHOGPQYNCO-UHFFFAOYSA-N -1 3 280.759 2.255 20 10 CECDHM CC[C@H](C)[C@@H](CNC(=O)NCc1c([O-])cccc1F)OC ZINC000922669876 643192238 /nfs/dbraw/zinc/19/22/38/643192238.db2.gz QDRCEFOEBTYZEF-IINYFYTJSA-N -1 3 298.358 2.392 20 10 CECDHM CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(O)c1[O-] ZINC000186891453 643354389 /nfs/dbraw/zinc/35/43/89/643354389.db2.gz CDFOZYKUSGIIGH-UHFFFAOYSA-N -1 3 282.299 2.242 20 10 CECDHM COC1([C@@H](C)NC(=O)NCc2c([O-])cccc2F)CCC1 ZINC000922904472 643446853 /nfs/dbraw/zinc/44/68/53/643446853.db2.gz NIPPEQYXFACFGK-SNVBAGLBSA-N -1 3 296.342 2.288 20 10 CECDHM CC[C@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)CCO1 ZINC000922933977 643462616 /nfs/dbraw/zinc/46/26/16/643462616.db2.gz MLIFAKOOXFKZMP-QWRGUYRKSA-N -1 3 296.342 2.288 20 10 CECDHM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1cccc(O)c1[O-] ZINC000187086473 643563301 /nfs/dbraw/zinc/56/33/01/643563301.db2.gz CJAXHENTMRYAPT-UHFFFAOYSA-N -1 3 296.286 2.135 20 10 CECDHM CC(C)(C)c1cc(NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000126648896 650850724 /nfs/dbraw/zinc/85/07/24/650850724.db2.gz PNNBXTPCFAVONH-UHFFFAOYSA-N -1 3 275.308 2.371 20 10 CECDHM C[C@@H]1CCC[C@H](CNC(=O)NCc2c([O-])cccc2F)O1 ZINC000923285565 643639692 /nfs/dbraw/zinc/63/96/92/643639692.db2.gz HTWHAIBOAVLXRG-GHMZBOCLSA-N -1 3 296.342 2.288 20 10 CECDHM CC(C)(C)n1nccc1NC(=O)c1cccc(O)c1[O-] ZINC000856280341 644625885 /nfs/dbraw/zinc/62/58/85/644625885.db2.gz OTZXYRPHLUAWMX-UHFFFAOYSA-N -1 3 275.308 2.302 20 10 CECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cscn2)c1 ZINC000756508350 644657314 /nfs/dbraw/zinc/65/73/14/644657314.db2.gz IUFUNXRRJZTCRO-VIFPVBQESA-N -1 3 292.360 2.486 20 10 CECDHM Cc1ccc(C(=O)Nc2ccn(CC(F)F)n2)c([O-])c1O ZINC000770505052 646399378 /nfs/dbraw/zinc/39/93/78/646399378.db2.gz WUFUGCLMHAVNGA-UHFFFAOYSA-N -1 3 297.261 2.120 20 10 CECDHM COC(=O)c1csc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000776355941 647051748 /nfs/dbraw/zinc/05/17/48/647051748.db2.gz RAKIHEHKDOFCSY-UHFFFAOYSA-N -1 3 293.300 2.198 20 10 CECDHM CCC1(CC)[C@H](NC(=O)c2cccc(O)c2[O-])C[C@@H]1OC ZINC000776678316 647082009 /nfs/dbraw/zinc/08/20/09/647082009.db2.gz SQGPWJOCDHNRRY-OLZOCXBDSA-N -1 3 293.363 2.421 20 10 CECDHM COC(=O)[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792163361 648617056 /nfs/dbraw/zinc/61/70/56/648617056.db2.gz XEKLZABLUJCCKM-MRVPVSSYSA-N -1 3 287.718 2.180 20 10 CECDHM CC(C)(C)N1CC[C@@H](NCc2cc(F)cc(F)c2[O-])C1=O ZINC000883152303 652381325 /nfs/dbraw/zinc/38/13/25/652381325.db2.gz QVXBCDSZISLYQX-GFCCVEGCSA-N -1 3 298.333 2.159 20 10 CECDHM CC(C)OC1CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232263594 807237710 /nfs/dbraw/zinc/23/77/10/807237710.db2.gz SJWOARYOOPHHHU-UHFFFAOYSA-N -1 3 271.744 2.360 20 10 CECDHM CCOC(=O)[C@@H]1CCCN1Cc1cc(Cl)c([O-])cc1O ZINC001232262877 807238253 /nfs/dbraw/zinc/23/82/53/807238253.db2.gz UQEAWOYLPJCRHV-NSHDSACASA-N -1 3 299.754 2.279 20 10 CECDHM CS(=O)(=O)N(c1ccc(N)cc1)c1cccc([O-])c1F ZINC001212551308 809677305 /nfs/dbraw/zinc/67/73/05/809677305.db2.gz KVNALKQJNZQOLE-UHFFFAOYSA-N -1 3 296.323 2.211 20 10 CECDHM [O-]c1cccc(F)c1CN1CC(N2CCC(F)CC2)C1 ZINC001137838744 809808314 /nfs/dbraw/zinc/80/83/14/809808314.db2.gz JNOMRAVORUHIKV-UHFFFAOYSA-N -1 3 282.334 2.149 20 10 CECDHM Cc1cccc2ncc(NC(=O)c3cccc(O)c3[O-])n21 ZINC001148212377 814536468 /nfs/dbraw/zinc/53/64/68/814536468.db2.gz YMVGOARTMLLEMX-UHFFFAOYSA-N -1 3 283.287 2.306 20 10 CECDHM Cc1ccc(CO)cc1NC(=O)c1cccc(O)c1[O-] ZINC001148212730 814536830 /nfs/dbraw/zinc/53/68/30/814536830.db2.gz IQQWBIKFJNFCNE-UHFFFAOYSA-N -1 3 273.288 2.151 20 10 CECDHM [O-]c1c(Br)cccc1CN1C[C@@H](O)C2(CC2)C1 ZINC001116674713 814875396 /nfs/dbraw/zinc/87/53/96/814875396.db2.gz FWYZZSPOKKZVCM-LLVKDONJSA-N -1 3 298.180 2.111 20 10 CECDHM C[C@@H]1CCN(Cc2cccc(F)c2[O-])CCC1=O ZINC001138124087 815733586 /nfs/dbraw/zinc/73/35/86/815733586.db2.gz YUSLDZRRQRSISY-SNVBAGLBSA-N -1 3 251.301 2.332 20 10 CECDHM CC(=O)[C@@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685919 816082266 /nfs/dbraw/zinc/08/22/66/816082266.db2.gz FJXXXMCDDYKRHA-SNVBAGLBSA-N -1 3 269.291 2.471 20 10 CECDHM COC(=O)[C@@]1(C)CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139690094 816086067 /nfs/dbraw/zinc/08/60/67/816086067.db2.gz OKAOIAWXCRWDFP-AWEZNQCLSA-N -1 3 285.290 2.055 20 10 CECDHM CCN1C[C@@H](C)N(Cc2c([O-])cccc2Cl)CC1=O ZINC001140342237 816237007 /nfs/dbraw/zinc/23/70/07/816237007.db2.gz ZLYPTTXCUSTJAK-SNVBAGLBSA-N -1 3 282.771 2.098 20 10 CECDHM CO[C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@H]1F ZINC001140461069 816258292 /nfs/dbraw/zinc/25/82/92/816258292.db2.gz DEVBWHNTBPMROQ-CMPLNLGQSA-N -1 3 259.708 2.214 20 10 CECDHM Cn1cnc2c1CN(Cc1ccc(Cl)cc1[O-])CC2 ZINC001140464159 816259817 /nfs/dbraw/zinc/25/98/17/816259817.db2.gz FBHUTFOWBAWECX-UHFFFAOYSA-N -1 3 277.755 2.337 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCCC2(C1)OCCO2 ZINC001140466087 816263080 /nfs/dbraw/zinc/26/30/80/816263080.db2.gz WTGCFUVXQMIOEL-UHFFFAOYSA-N -1 3 283.755 2.385 20 10 CECDHM CC(C)CN1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140580738 816291715 /nfs/dbraw/zinc/29/17/15/816291715.db2.gz DTTRSWGNAVAYHI-UHFFFAOYSA-N -1 3 284.350 2.444 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CCCC[C@H]1CO ZINC001142502547 816675323 /nfs/dbraw/zinc/67/53/23/816675323.db2.gz RXEISMSMFRIYMQ-JTQLQIEISA-N -1 3 257.280 2.017 20 10 CECDHM Cc1ccc(C(=O)C(=O)NCc2c([O-])cccc2F)cc1 ZINC001178413026 816743433 /nfs/dbraw/zinc/74/34/33/816743433.db2.gz KVKGWYVUQIXXHY-UHFFFAOYSA-N -1 3 287.290 2.339 20 10 CECDHM COCc1ccc(C(=O)NCc2c([O-])cccc2F)o1 ZINC001178413711 816743883 /nfs/dbraw/zinc/74/38/83/816743883.db2.gz XGDUKDINPDPJQS-UHFFFAOYSA-N -1 3 279.267 2.201 20 10 CECDHM O=C1CN(Cc2c([O-])cccc2Cl)[C@H]2CCCC[C@H]2N1 ZINC000123603601 365639801 /nfs/dbraw/zinc/63/98/01/365639801.db2.gz YJKLWJILSXKQAQ-OLZOCXBDSA-N -1 3 294.782 2.289 20 10 CECDHM CCCCNC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000111235241 364724445 /nfs/dbraw/zinc/72/44/45/364724445.db2.gz KIHOXFZNLSFSFP-GFCCVEGCSA-N -1 3 264.369 2.129 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CCC[C@H](OCCO)C1 ZINC000180175712 368370382 /nfs/dbraw/zinc/37/03/82/368370382.db2.gz VZQRWYJKPOHIEG-LBPRGKRZSA-N -1 3 285.771 2.019 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCN(CC(F)(F)F)CC1 ZINC000179895832 368356800 /nfs/dbraw/zinc/35/68/00/368356800.db2.gz IKMPBFSGMOHOMM-UHFFFAOYSA-N -1 3 292.276 2.211 20 10 CECDHM CN(CC(=O)OC(C)(C)C)Cc1cc(F)ccc1[O-] ZINC000180024507 368362583 /nfs/dbraw/zinc/36/25/83/368362583.db2.gz BEAPBWJQPIZRDC-UHFFFAOYSA-N -1 3 269.316 2.305 20 10 CECDHM O=C(N[C@@H]1COc2cccc(F)c21)c1cccc(O)c1[O-] ZINC000365757022 372927278 /nfs/dbraw/zinc/92/72/78/372927278.db2.gz GNJMRIGZQBYDBU-SNVBAGLBSA-N -1 3 289.262 2.100 20 10 CECDHM CCC[C@@H]1C(=O)NCCN1Cc1c([O-])cccc1Cl ZINC000271174186 373161069 /nfs/dbraw/zinc/16/10/69/373161069.db2.gz GCNBYCFKHIQIQP-GFCCVEGCSA-N -1 3 282.771 2.146 20 10 CECDHM CC(C)C(=O)NCCN(C)Cc1c([O-])cccc1Cl ZINC000271414157 373188886 /nfs/dbraw/zinc/18/88/86/373188886.db2.gz YBOMBBYLYFKSIK-UHFFFAOYSA-N -1 3 284.787 2.250 20 10 CECDHM O=C(NC[C@@H]1CCC(F)(F)C1)c1cccc(O)c1[O-] ZINC000281486202 375383241 /nfs/dbraw/zinc/38/32/41/375383241.db2.gz DNGXWZXDTHYNRF-MRVPVSSYSA-N -1 3 271.263 2.263 20 10 CECDHM [O-]c1ccccc1CNCc1ncc(C2OCCO2)s1 ZINC000289358899 376393078 /nfs/dbraw/zinc/39/30/78/376393078.db2.gz YLYMPLYSNLDBET-UHFFFAOYSA-N -1 3 292.360 2.184 20 10 CECDHM Cc1ccc(C(=O)N2CCCO[C@H](C(C)C)C2)c([O-])c1O ZINC000294494695 377990244 /nfs/dbraw/zinc/99/02/44/377990244.db2.gz QWHUDHHHWVOPES-ZDUSSCGKSA-N -1 3 293.363 2.293 20 10 CECDHM C[C@H](NCC(F)(F)CO)c1cc(Cl)ccc1[O-] ZINC000184694426 262025719 /nfs/dbraw/zinc/02/57/19/262025719.db2.gz OQZOANDYTYQYJF-ZETCQYMHSA-N -1 3 265.687 2.324 20 10 CECDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2cnn(C)c2)c1[O-] ZINC000273251608 394786166 /nfs/dbraw/zinc/78/61/66/394786166.db2.gz CIBXNAAGQXLZBU-SECBINFHSA-N -1 3 291.326 2.318 20 10 CECDHM COc1cc(Cl)cc([C@@H]2NC(=O)CN2CC(C)C)c1[O-] ZINC000273477897 394788125 /nfs/dbraw/zinc/78/81/25/394788125.db2.gz IDUNZAIJGPXMNO-CQSZACIVSA-N -1 3 298.770 2.141 20 10 CECDHM O=C(N[C@@H]1CCN(Cc2cc(F)ccc2[O-])C1)C1CCC1 ZINC000360670544 394805776 /nfs/dbraw/zinc/80/57/76/394805776.db2.gz IIZWPQNZCNPCEW-CQSZACIVSA-N -1 3 292.354 2.022 20 10 CECDHM CO[C@@H](C)c1noc(CN(C)Cc2ccccc2[O-])n1 ZINC000177676377 395154131 /nfs/dbraw/zinc/15/41/31/395154131.db2.gz GGOXCDBGQOAJTK-JTQLQIEISA-N -1 3 277.324 2.115 20 10 CECDHM C[C@@H](C[S@](C)=O)N(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293603375 395243551 /nfs/dbraw/zinc/24/35/51/395243551.db2.gz LIBVNLIFHSXXGN-ASCAZGACSA-N -1 3 293.791 2.384 20 10 CECDHM Cc1cc(Cl)cc(CN2CCOC[C@@]23CCOC3)c1[O-] ZINC000195018116 395456615 /nfs/dbraw/zinc/45/66/15/395456615.db2.gz BIAILPJBCUKDMQ-HNNXBMFYSA-N -1 3 297.782 2.345 20 10 CECDHM COC[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccco1 ZINC000182545883 261942806 /nfs/dbraw/zinc/94/28/06/261942806.db2.gz ZYEZLFNACOYPHI-LLVKDONJSA-N -1 3 291.303 2.117 20 10 CECDHM CO[C@H]1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC1(C)C ZINC000296956020 263198680 /nfs/dbraw/zinc/19/86/80/263198680.db2.gz JUUGAKFMHSVRJZ-LBPRGKRZSA-N -1 3 293.363 2.293 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@H]1c1ncon1 ZINC000369840670 267270730 /nfs/dbraw/zinc/27/07/30/267270730.db2.gz NPKLTTVPAYHRFQ-NSHDSACASA-N -1 3 295.726 2.002 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1Cc2ccccc2CO1 ZINC000377145968 268050396 /nfs/dbraw/zinc/05/03/96/268050396.db2.gz DJZZSHBKWKWIOV-UHFFFAOYSA-N -1 3 271.272 2.185 20 10 CECDHM CC[C@@H](N[C@@H](C)c1ncnn1C)c1ccccc1[O-] ZINC000276696453 276438574 /nfs/dbraw/zinc/43/85/74/276438574.db2.gz VHQVQCAZWHKUFU-CMPLNLGQSA-N -1 3 260.341 2.323 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1c1ccccc1 ZINC000366174646 304549316 /nfs/dbraw/zinc/54/93/16/304549316.db2.gz ZQNCVPQBBYABJA-CQSZACIVSA-N -1 3 299.326 2.312 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCOC[C@@H]1c1ncon1 ZINC000377704655 329025985 /nfs/dbraw/zinc/02/59/85/329025985.db2.gz XQHNIFPSJHZBCN-CHWSQXEVSA-N -1 3 289.335 2.300 20 10 CECDHM CC(C)(C)n1cc(CNCc2ccccc2[O-])nn1 ZINC000232510646 333337762 /nfs/dbraw/zinc/33/77/62/333337762.db2.gz ZIBMYUOTVXAIPM-UHFFFAOYSA-N -1 3 260.341 2.029 20 10 CECDHM CC(C)(C)SCCNC(=O)c1cccc(O)c1[O-] ZINC000280628367 518908719 /nfs/dbraw/zinc/90/87/19/518908719.db2.gz LNTFTCRSGXSQIO-UHFFFAOYSA-N -1 3 269.366 2.359 20 10 CECDHM CC(C)n1ncnc1CN(C)Cc1ccccc1[O-] ZINC000279947707 520128927 /nfs/dbraw/zinc/12/89/27/520128927.db2.gz HMYYUKBQZGJWFA-UHFFFAOYSA-N -1 3 260.341 2.197 20 10 CECDHM CC1(CNCc2c([O-])cccc2Cl)OCCCO1 ZINC000277129776 520732666 /nfs/dbraw/zinc/73/26/66/520732666.db2.gz CNQGVFCUAMRXIS-UHFFFAOYSA-N -1 3 271.744 2.288 20 10 CECDHM CCC[C@]1(CO)CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000293015898 521320746 /nfs/dbraw/zinc/32/07/46/521320746.db2.gz MNHXDLLQWIGMKU-INIZCTEOSA-N -1 3 293.363 2.031 20 10 CECDHM COCC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000280033988 521970839 /nfs/dbraw/zinc/97/08/39/521970839.db2.gz YJRDRUKMSZIBAO-NSHDSACASA-N -1 3 291.303 2.198 20 10 CECDHM COc1cc(Cl)cc(CN2CCn3cncc3C2)c1[O-] ZINC000291611604 522537377 /nfs/dbraw/zinc/53/73/77/522537377.db2.gz RBJDVQPHQUNPSD-UHFFFAOYSA-N -1 3 293.754 2.267 20 10 CECDHM COC(=O)[C@@H](C)N(C)Cc1c([O-])cccc1Cl ZINC000280997353 523525903 /nfs/dbraw/zinc/52/59/03/523525903.db2.gz XKWYXVJNBNQTMG-MRVPVSSYSA-N -1 3 257.717 2.039 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](C2CC2)C1 ZINC000290838542 526772343 /nfs/dbraw/zinc/77/23/43/526772343.db2.gz ICTAWQCITBPABC-NSHDSACASA-N -1 3 261.321 2.360 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CCC(F)(F)[C@@H](CO)C1 ZINC000291236841 527620656 /nfs/dbraw/zinc/62/06/56/527620656.db2.gz KXHLFEINKKIOKE-SNVBAGLBSA-N -1 3 291.725 2.495 20 10 CECDHM COCCN(Cc1cccnc1)C(=O)c1cc([O-])cs1 ZINC000762559191 574526102 /nfs/dbraw/zinc/52/61/02/574526102.db2.gz XDWXYIGLPQNAFU-UHFFFAOYSA-N -1 3 292.360 2.138 20 10 CECDHM Cc1noc([C@@H]2CCCN(C(=O)c3cc([O-])cs3)C2)n1 ZINC000731869727 574604401 /nfs/dbraw/zinc/60/44/01/574604401.db2.gz DAGZTZMOMOTIBW-SECBINFHSA-N -1 3 293.348 2.165 20 10 CECDHM Cc1ccc([C@H](O)CNC(=O)c2cc([O-])cs2)cc1 ZINC000732271507 574617065 /nfs/dbraw/zinc/61/70/65/574617065.db2.gz ZUKDLOALSONIET-GFCCVEGCSA-N -1 3 277.345 2.226 20 10 CECDHM COc1ccc(NC(=O)c2cc([O-])cs2)c(OC)n1 ZINC000732280528 574617690 /nfs/dbraw/zinc/61/76/90/574617690.db2.gz YSLDMRIXURHIDQ-UHFFFAOYSA-N -1 3 280.305 2.118 20 10 CECDHM CCc1cc(NC(=O)c2cc([O-])cs2)n(C)n1 ZINC000734873107 574733257 /nfs/dbraw/zinc/73/32/57/574733257.db2.gz TVPXHFRDIRRROB-UHFFFAOYSA-N -1 3 251.311 2.002 20 10 CECDHM C[C@@H]1SCCN(C(=O)c2cc([O-])cs2)[C@H]1C ZINC000735703793 574764880 /nfs/dbraw/zinc/76/48/80/574764880.db2.gz LCPMQBCVHTZGOD-YUMQZZPRSA-N -1 3 257.380 2.420 20 10 CECDHM Cc1cc([O-])c(C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])cc1C ZINC000738463491 574864701 /nfs/dbraw/zinc/86/47/01/574864701.db2.gz HOBQPWNTTQHOAR-ZDUSSCGKSA-N -1 3 295.404 2.401 20 10 CECDHM Cc1cc([O-])c(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])cc1C ZINC000738463491 574864702 /nfs/dbraw/zinc/86/47/02/574864702.db2.gz HOBQPWNTTQHOAR-ZDUSSCGKSA-N -1 3 295.404 2.401 20 10 CECDHM Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)cc1C ZINC000740089186 574941842 /nfs/dbraw/zinc/94/18/42/574941842.db2.gz OJGICRANBOGVIO-LBPRGKRZSA-N -1 3 278.352 2.099 20 10 CECDHM Cc1cc([O-])c(C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)cc1C ZINC000740089186 574941843 /nfs/dbraw/zinc/94/18/43/574941843.db2.gz OJGICRANBOGVIO-LBPRGKRZSA-N -1 3 278.352 2.099 20 10 CECDHM CC(C)CC[C@@](C)(O)CNC(=O)c1cc([O-])cs1 ZINC000743718065 575109171 /nfs/dbraw/zinc/10/91/71/575109171.db2.gz LBKLWUXCGVUTHD-CYBMUJFWSA-N -1 3 271.382 2.371 20 10 CECDHM COC[C@H](NC(=O)c1cc([O-])cs1)c1ccco1 ZINC000746697276 575162982 /nfs/dbraw/zinc/16/29/82/575162982.db2.gz PDAYMAICKDWTKH-VIFPVBQESA-N -1 3 267.306 2.164 20 10 CECDHM O=S(=O)([N-]Cc1ccccc1O)c1ccc(F)cc1F ZINC000158585804 625026685 /nfs/dbraw/zinc/02/66/85/625026685.db2.gz NUVCNDAGJMZKEV-UHFFFAOYSA-N -1 3 299.298 2.149 20 10 CECDHM CN(CCOc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000186768997 628258059 /nfs/dbraw/zinc/25/80/59/628258059.db2.gz VUDRYWDDZCKEFU-UHFFFAOYSA-N -1 3 287.315 2.249 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCN(c2ccccc2)CC1 ZINC000184770864 628736060 /nfs/dbraw/zinc/73/60/60/628736060.db2.gz YORFMJFMIDWLEY-UHFFFAOYSA-N -1 3 298.342 2.060 20 10 CECDHM CC[C@@H](NCc1nnnn1C1CC1)c1ccc(F)cc1[O-] ZINC000796817709 630019965 /nfs/dbraw/zinc/01/99/65/630019965.db2.gz KFUXDPMOCKYQMM-GFCCVEGCSA-N -1 3 291.330 2.094 20 10 CECDHM CN(Cc1c[nH]cn1)Cc1cc(F)cc(F)c1[O-] ZINC000895224942 630044289 /nfs/dbraw/zinc/04/42/89/630044289.db2.gz MYRVWFAXRKJFCW-UHFFFAOYSA-N -1 3 253.252 2.026 20 10 CECDHM CN(Cc1cnc[nH]1)Cc1cc(F)cc(F)c1[O-] ZINC000895224942 630044293 /nfs/dbraw/zinc/04/42/93/630044293.db2.gz MYRVWFAXRKJFCW-UHFFFAOYSA-N -1 3 253.252 2.026 20 10 CECDHM [O-]c1cccc(F)c1CNCc1cnc(C2CC2)nc1 ZINC000896638528 630621733 /nfs/dbraw/zinc/62/17/33/630621733.db2.gz QUIBTACNYHMAQC-UHFFFAOYSA-N -1 3 273.311 2.489 20 10 CECDHM CCOC(=O)c1ccc(CNCc2c([O-])cccc2F)[nH]1 ZINC000896640441 630622646 /nfs/dbraw/zinc/62/26/46/630622646.db2.gz IQIXWVYMEVSFKF-UHFFFAOYSA-N -1 3 292.310 2.326 20 10 CECDHM CCc1cc(C(=O)NCc2c([O-])cccc2F)c(C)nn1 ZINC000928709209 631129969 /nfs/dbraw/zinc/12/99/69/631129969.db2.gz YPTOHGKTAVGKMA-UHFFFAOYSA-N -1 3 289.310 2.122 20 10 CECDHM Cn1cnc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000898043293 632035300 /nfs/dbraw/zinc/03/53/00/632035300.db2.gz KXXFYKAIMPTBGM-UHFFFAOYSA-N -1 3 269.707 2.208 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@@H](O)[C@@H](F)C2)c(Cl)c1 ZINC000898187913 632101132 /nfs/dbraw/zinc/10/11/32/632101132.db2.gz JGYUBWLXTUJALV-NWDGAFQWSA-N -1 3 273.735 2.259 20 10 CECDHM C[C@@H](CF)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000814299325 632821995 /nfs/dbraw/zinc/82/19/95/632821995.db2.gz BKOZUPBXQYOTBY-LURJTMIESA-N -1 3 262.668 2.401 20 10 CECDHM CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000817881839 633750987 /nfs/dbraw/zinc/75/09/87/633750987.db2.gz PTDSIZIPEATBHL-DGCLKSJQSA-N -1 3 293.363 2.334 20 10 CECDHM CCOc1ccc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000817881839 633750989 /nfs/dbraw/zinc/75/09/89/633750989.db2.gz PTDSIZIPEATBHL-DGCLKSJQSA-N -1 3 293.363 2.334 20 10 CECDHM CC[C@H](C)NC(=S)NCc1c([O-])cccc1F ZINC000905660158 636368906 /nfs/dbraw/zinc/36/89/06/636368906.db2.gz DZAYUVBICSQNSX-QMMMGPOBSA-N -1 3 256.346 2.294 20 10 CECDHM C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000876759557 650423698 /nfs/dbraw/zinc/42/36/98/650423698.db2.gz MZOOXCOFNSQCLG-ZDUSSCGKSA-N -1 3 257.280 2.017 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCc2sccc2C1 ZINC000126194623 650449674 /nfs/dbraw/zinc/44/96/74/650449674.db2.gz NAVLTCYRNPEQBB-UHFFFAOYSA-N -1 3 275.329 2.358 20 10 CECDHM CC[C@@H]1C(=O)NCCN1Cc1c([O-])cc(C)cc1Cl ZINC000840913004 639583944 /nfs/dbraw/zinc/58/39/44/639583944.db2.gz BZUWHWPEYLJNLQ-GFCCVEGCSA-N -1 3 282.771 2.064 20 10 CECDHM COc1cc(Cl)cc(C[NH2+]CCCC(=O)[O-])c1[O-] ZINC000229050905 639674478 /nfs/dbraw/zinc/67/44/78/639674478.db2.gz JPQBWMHRPSQRJW-UHFFFAOYSA-N -1 3 273.716 2.009 20 10 CECDHM C[C@@H](CC(F)(F)F)NC(=O)c1cccc(O)c1[O-] ZINC000229418035 639698659 /nfs/dbraw/zinc/69/86/59/639698659.db2.gz HOVHMQDJWIMTAF-LURJTMIESA-N -1 3 263.215 2.169 20 10 CECDHM CC(C)(C)O[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000844044064 640587328 /nfs/dbraw/zinc/58/73/28/640587328.db2.gz UTMDLZVFOXZRKK-AOOOYVTPSA-N -1 3 279.336 2.174 20 10 CECDHM CC(C)(CO)CCCNC(=O)NCc1c([O-])cccc1F ZINC000920217169 641128369 /nfs/dbraw/zinc/12/83/69/641128369.db2.gz MMRQPIQGRITUJZ-UHFFFAOYSA-N -1 3 298.358 2.129 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1C=CCC1 ZINC000923993748 641244353 /nfs/dbraw/zinc/24/43/53/641244353.db2.gz IKQBIWGUWHUCEQ-SNVBAGLBSA-N -1 3 264.300 2.297 20 10 CECDHM Cc1ccc(C(C)(C)NC(=O)c2cccc(O)c2[O-])cn1 ZINC000846655971 641377970 /nfs/dbraw/zinc/37/79/70/641377970.db2.gz VEZRUBFNABCULK-UHFFFAOYSA-N -1 3 286.331 2.466 20 10 CECDHM O=C(NC[C@@H]1Cc2ccccc21)c1cccc(O)c1[O-] ZINC000126469033 650671785 /nfs/dbraw/zinc/67/17/85/650671785.db2.gz ZIWBSDYMXVCCMD-NSHDSACASA-N -1 3 269.300 2.168 20 10 CECDHM O=C([O-])C[C@H](NCc1ccc2c(c1)CCO2)c1ccncc1 ZINC000849230129 642289935 /nfs/dbraw/zinc/28/99/35/642289935.db2.gz AZYRCCUQBOJBGP-HNNXBMFYSA-N -1 3 298.342 2.322 20 10 CECDHM [O-]c1c(F)c(F)ccc1CN1CC[C@@H](n2cccn2)C1 ZINC000877544874 650779253 /nfs/dbraw/zinc/77/92/53/650779253.db2.gz ZXQQOJLDCVPZPT-LLVKDONJSA-N -1 3 279.290 2.314 20 10 CECDHM CCOC[C@H](NC(=O)NCc1c([O-])cccc1F)C(C)C ZINC000922153867 642910781 /nfs/dbraw/zinc/91/07/81/642910781.db2.gz QMDPZGZSMSMCKA-ZDUSSCGKSA-N -1 3 298.358 2.392 20 10 CECDHM C[C@@H](N[C@H](C)c1cc(F)cc(F)c1[O-])c1ncnn1C ZINC000788983938 644247749 /nfs/dbraw/zinc/24/77/49/644247749.db2.gz PDIGLSXGYMHENW-HTQZYQBOSA-N -1 3 282.294 2.211 20 10 CECDHM CCc1nnc2n1CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC000772598963 646647752 /nfs/dbraw/zinc/64/77/52/646647752.db2.gz HJWOYGODOMDGEB-UHFFFAOYSA-N -1 3 292.770 2.215 20 10 CECDHM Cc1cc(CNCc2cccc(Cl)c2[O-])ncn1 ZINC000776254443 647043221 /nfs/dbraw/zinc/04/32/21/647043221.db2.gz WJEQRAXNYHHUNG-UHFFFAOYSA-N -1 3 263.728 2.434 20 10 CECDHM [O-]c1cccc(Cl)c1CNc1nnc(CCO)s1 ZINC000865294348 647234772 /nfs/dbraw/zinc/23/47/72/647234772.db2.gz KZGBAIHLHYOKBB-UHFFFAOYSA-N -1 3 285.756 2.044 20 10 CECDHM O=C(NCCCc1ccc(O)cc1)c1cccc(O)c1[O-] ZINC000790744596 648443677 /nfs/dbraw/zinc/44/36/77/648443677.db2.gz CGSANZIUFUJEHO-UHFFFAOYSA-N -1 3 287.315 2.166 20 10 CECDHM Cc1cccc(F)c1CNC(=O)c1cccc(O)c1[O-] ZINC000790793719 648449176 /nfs/dbraw/zinc/44/91/76/648449176.db2.gz HODJLOVZZFKXME-UHFFFAOYSA-N -1 3 275.279 2.475 20 10 CECDHM Cc1ccsc1CCNC(=O)c1cccc(O)c1[O-] ZINC000790918400 648461235 /nfs/dbraw/zinc/46/12/35/648461235.db2.gz QXEMUFUETWMJSF-UHFFFAOYSA-N -1 3 277.345 2.440 20 10 CECDHM CC(C)O[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000790934201 648462117 /nfs/dbraw/zinc/46/21/17/648462117.db2.gz HULBFKDSXQGKJV-OLZOCXBDSA-N -1 3 293.363 2.420 20 10 CECDHM CO[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792164646 648617095 /nfs/dbraw/zinc/61/70/95/648617095.db2.gz BRMYKRGGJPPAKD-QMMMGPOBSA-N -1 3 259.708 2.405 20 10 CECDHM O=C(N[C@@H](C1CCC1)[C@H]1CCOC1)c1cccc(O)c1[O-] ZINC000871304034 649059652 /nfs/dbraw/zinc/05/96/52/649059652.db2.gz XPPZILUNGLTWBE-FZMZJTMJSA-N -1 3 291.347 2.033 20 10 CECDHM Cc1nonc1CN[C@H](C)c1cc(F)ccc1[O-] ZINC000872138029 649289277 /nfs/dbraw/zinc/28/92/77/649289277.db2.gz YXJWWTJNSUTQEY-SSDOTTSWSA-N -1 3 251.261 2.074 20 10 CECDHM CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1cc(F)ccc1[O-] ZINC001140063729 802559518 /nfs/dbraw/zinc/55/95/18/802559518.db2.gz XSRYLDMJFYZXBM-XHDPSFHLSA-N -1 3 279.311 2.059 20 10 CECDHM C[C@H]1CN(Cc2cc(F)cc(Cl)c2[O-])CC[C@H]1O ZINC001237807362 808257586 /nfs/dbraw/zinc/25/75/86/808257586.db2.gz IDTNNXQFMQPQFY-QPUJVOFHSA-N -1 3 273.735 2.387 20 10 CECDHM CC(C)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703518884 809654130 /nfs/dbraw/zinc/65/41/30/809654130.db2.gz UFUIHSJRNCMGCF-UHFFFAOYSA-N -1 3 270.323 2.196 20 10 CECDHM O=C(NCc1c([O-])cccc1F)c1cccc([N+](=O)[O-])c1 ZINC001156170185 811210548 /nfs/dbraw/zinc/21/05/48/811210548.db2.gz IJAUETCAYYYYJI-UHFFFAOYSA-N -1 3 290.250 2.370 20 10 CECDHM Cc1cc2nccn2cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314918 812384871 /nfs/dbraw/zinc/38/48/71/812384871.db2.gz KSKLIDJZQQOELN-UHFFFAOYSA-N -1 3 297.314 2.349 20 10 CECDHM CC(C)(CNC(=O)c1cc(O)c([O-])c(O)c1)CC1CC1 ZINC001148590599 814591643 /nfs/dbraw/zinc/59/16/43/814591643.db2.gz NHVWUYDNFZUSTO-UHFFFAOYSA-N -1 3 279.336 2.360 20 10 CECDHM Cn1nc(C(C)(C)C)cc1NC(=O)c1cccc(O)c1[O-] ZINC001116849403 814887276 /nfs/dbraw/zinc/88/72/76/814887276.db2.gz PHAXUNYWUFLPFE-UHFFFAOYSA-N -1 3 289.335 2.381 20 10 CECDHM [O-]c1cccc(F)c1CN1CCOC[C@@H]1C1CC1 ZINC001137840052 815694640 /nfs/dbraw/zinc/69/46/40/815694640.db2.gz QFONIIWBIAVRFX-CYBMUJFWSA-N -1 3 251.301 2.142 20 10 CECDHM O=C([O-])c1ccc(CN2CCc3cccc(O)c3C2)o1 ZINC001140947325 816420639 /nfs/dbraw/zinc/42/06/39/816420639.db2.gz HKHDMCVCKJWDLJ-UHFFFAOYSA-N -1 3 273.288 2.242 20 10 CECDHM CO[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508552 816677283 /nfs/dbraw/zinc/67/72/83/816677283.db2.gz CQFFFKGQAAEHMR-SNVBAGLBSA-N -1 3 257.280 2.281 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001142512810 816679019 /nfs/dbraw/zinc/67/90/19/816679019.db2.gz LXVACRXATODRKP-PELKAZGASA-N -1 3 291.244 2.136 20 10 CECDHM [O-]c1ccc(Br)cc1CN1CCC[C@@H]1CO ZINC000092470666 364077948 /nfs/dbraw/zinc/07/79/48/364077948.db2.gz OWNNCONXFZRQBE-LLVKDONJSA-N -1 3 286.169 2.111 20 10 CECDHM Cc1cccc(CNC(=O)CN(C)Cc2ccccc2[O-])c1 ZINC000111235764 364724275 /nfs/dbraw/zinc/72/42/75/364724275.db2.gz BQQQOKQPSFXQNF-UHFFFAOYSA-N -1 3 298.386 2.449 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCOC2(CCC2)C1 ZINC000180195143 368371891 /nfs/dbraw/zinc/37/18/91/368371891.db2.gz FASVZANDVLMLRX-UHFFFAOYSA-N -1 3 251.301 2.286 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000190870939 369657789 /nfs/dbraw/zinc/65/77/89/369657789.db2.gz HEMLFJGNRXSYKD-SKDRFNHKSA-N -1 3 297.782 2.308 20 10 CECDHM CCCC[C@@H](COC)NC(=O)c1cccc(O)c1[O-] ZINC000193078916 369890896 /nfs/dbraw/zinc/89/08/96/369890896.db2.gz CTFLXYVINLZVSA-JTQLQIEISA-N -1 3 267.325 2.033 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2[C@@H](C)O)c1[O-] ZINC000267473890 372073856 /nfs/dbraw/zinc/07/38/56/372073856.db2.gz ZTKPVPCNOKJBIP-IAQYHMDHSA-N -1 3 295.354 2.469 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCO[C@H]2CCOC[C@@H]21 ZINC000366498137 373073729 /nfs/dbraw/zinc/07/37/29/373073729.db2.gz RFJXWONGZIOFLT-YCPHGPKFSA-N -1 3 277.364 2.333 20 10 CECDHM CCC[C@H]1C(=O)NCCN1Cc1c([O-])cccc1Cl ZINC000271174187 373160623 /nfs/dbraw/zinc/16/06/23/373160623.db2.gz GCNBYCFKHIQIQP-LBPRGKRZSA-N -1 3 282.771 2.146 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCOC2(CCOCC2)C1 ZINC000271228136 373184826 /nfs/dbraw/zinc/18/48/26/373184826.db2.gz BGGVNYYXPCXOET-UHFFFAOYSA-N -1 3 297.782 2.427 20 10 CECDHM Cc1ccc(C(=O)NCC2CCSCC2)c([O-])c1O ZINC000272735086 373635364 /nfs/dbraw/zinc/63/53/64/373635364.db2.gz KSXHKGXOGCQQAB-UHFFFAOYSA-N -1 3 281.377 2.279 20 10 CECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2cn[nH]c2)c1 ZINC000273345736 373751387 /nfs/dbraw/zinc/75/13/87/373751387.db2.gz APJAPZIGPJPQAQ-UWVGGRQHSA-N -1 3 289.335 2.314 20 10 CECDHM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cnn(C)c1 ZINC000273620691 373768248 /nfs/dbraw/zinc/76/82/48/373768248.db2.gz YZIQLTDDYXBBLV-UWVGGRQHSA-N -1 3 290.323 2.446 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1CCO[C@@H](CC(=O)OC)C1 ZINC000372568307 374159543 /nfs/dbraw/zinc/15/95/43/374159543.db2.gz HLPFVWWIOBYCES-JSGCOSHPSA-N -1 3 293.363 2.107 20 10 CECDHM Cc1cc(Cl)cc(CN2CC(=O)N(C)[C@H](C)C2)c1[O-] ZINC000282861564 375597063 /nfs/dbraw/zinc/59/70/63/375597063.db2.gz XHGYKMOKJUJJCT-SNVBAGLBSA-N -1 3 282.771 2.017 20 10 CECDHM CCCNC(=O)CN[C@@H](CC)c1ccc(F)cc1[O-] ZINC000285492319 375840516 /nfs/dbraw/zinc/84/05/16/375840516.db2.gz CDVWANTURVIDDE-LBPRGKRZSA-N -1 3 268.332 2.098 20 10 CECDHM Cc1ccc(C(=O)Nc2cc3n(n2)CCCC3)c([O-])c1O ZINC000286634307 376020653 /nfs/dbraw/zinc/02/06/53/376020653.db2.gz SNQPVFVRRROIMN-UHFFFAOYSA-N -1 3 287.319 2.191 20 10 CECDHM CNC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000291993673 377219527 /nfs/dbraw/zinc/21/95/27/377219527.db2.gz WWDLUARULBCKJR-BQBZGAKWSA-N -1 3 291.178 2.484 20 10 CECDHM CCN(C)C(=O)[C@@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000294625468 378001667 /nfs/dbraw/zinc/00/16/67/378001667.db2.gz JJTMHQGWTZBJIM-MRVPVSSYSA-N -1 3 288.750 2.141 20 10 CECDHM CCCc1noc(CN(C)Cc2ccccc2[O-])n1 ZINC000109769042 394734788 /nfs/dbraw/zinc/73/47/88/394734788.db2.gz FAXGJHLVOBLCBR-UHFFFAOYSA-N -1 3 261.325 2.360 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@](C)(O)C2)c1[O-] ZINC000124254712 394837943 /nfs/dbraw/zinc/83/79/43/394837943.db2.gz VUGQKRYIXDUYPM-HNNXBMFYSA-N -1 3 281.327 2.081 20 10 CECDHM CCCOc1ccc(CN(CC)CC(=O)NCC)c([O-])c1 ZINC000133624970 394954304 /nfs/dbraw/zinc/95/43/04/394954304.db2.gz WNNZAUTUGLINJF-UHFFFAOYSA-N -1 3 294.395 2.139 20 10 CECDHM C[C@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC000132608893 394934770 /nfs/dbraw/zinc/93/47/70/394934770.db2.gz XBVMWXNGNZQVBF-VIFPVBQESA-N -1 3 286.169 2.375 20 10 CECDHM COCCN(CCOC)Cc1c([O-])cccc1Cl ZINC000133415767 394951625 /nfs/dbraw/zinc/95/16/25/394951625.db2.gz FHMAMWBGMPSJPK-UHFFFAOYSA-N -1 3 273.760 2.140 20 10 CECDHM CC[C@@H](CSC)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182989062 395249413 /nfs/dbraw/zinc/24/94/13/395249413.db2.gz QOEDSFFYGPJGMA-VIFPVBQESA-N -1 3 269.366 2.278 20 10 CECDHM O=C(NCc1ccc(F)c(F)c1)c1cccc(O)c1[O-] ZINC000072112786 176317461 /nfs/dbraw/zinc/31/74/61/176317461.db2.gz BRTREFOFOMZSTI-UHFFFAOYSA-N -1 3 279.242 2.306 20 10 CECDHM CCC(CC)N(CCOC)C(=O)c1cccc(O)c1[O-] ZINC000126338559 260350833 /nfs/dbraw/zinc/35/08/33/260350833.db2.gz WPMFBIKDPSBNKE-UHFFFAOYSA-N -1 3 281.352 2.375 20 10 CECDHM O=C1CCCN1[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000276815681 263038096 /nfs/dbraw/zinc/03/80/96/263038096.db2.gz OQOPVEWTJGIVIX-LLVKDONJSA-N -1 3 294.782 2.242 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC(COc2ccccc2)C1 ZINC000377139271 268050414 /nfs/dbraw/zinc/05/04/14/268050414.db2.gz NGGIGOHJXPITSG-UHFFFAOYSA-N -1 3 299.326 2.249 20 10 CECDHM CC[C@H](NCc1nncn1C)c1cccc(Cl)c1[O-] ZINC000287565621 288051557 /nfs/dbraw/zinc/05/15/57/288051557.db2.gz GKSLDRPICUCFNI-NSHDSACASA-N -1 3 280.759 2.415 20 10 CECDHM C[C@]1(F)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000295214197 300813131 /nfs/dbraw/zinc/81/31/31/300813131.db2.gz AUULAFYKVPOCTF-ZDUSSCGKSA-N -1 3 253.273 2.062 20 10 CECDHM Cc1ccncc1N(C)C(=O)/C=C/c1cncc([O-])c1 ZINC000492558803 332403027 /nfs/dbraw/zinc/40/30/27/332403027.db2.gz AIYATOZSXFCAQF-ONEGZZNKSA-N -1 3 269.304 2.167 20 10 CECDHM CCOC1CC(N(C)C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000293381103 521650974 /nfs/dbraw/zinc/65/09/74/521650974.db2.gz LQXHPSPLMFXJNL-UHFFFAOYSA-N -1 3 279.336 2.046 20 10 CECDHM C[C@@H](CN1CCOCC1)N(C)Cc1c([O-])cccc1Cl ZINC000279498203 524621823 /nfs/dbraw/zinc/62/18/23/524621823.db2.gz VSAKCEISARXCML-LBPRGKRZSA-N -1 3 298.814 2.198 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](OCC2CC2)C1 ZINC000366152615 526770936 /nfs/dbraw/zinc/77/09/36/526770936.db2.gz RQWCYCMGUAUACP-LBPRGKRZSA-N -1 3 291.347 2.129 20 10 CECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C1CCC1 ZINC000277430888 527003661 /nfs/dbraw/zinc/00/36/61/527003661.db2.gz RQMWYMITOWDESE-UHFFFAOYSA-N -1 3 294.738 2.362 20 10 CECDHM O=C(NC[C@H](O)c1cccc(F)c1)c1cc([O-])cs1 ZINC000731871406 574604341 /nfs/dbraw/zinc/60/43/41/574604341.db2.gz JSRXNCYDHPSZHV-NSHDSACASA-N -1 3 281.308 2.056 20 10 CECDHM O=C(NC[C@@H]1Cc2ccccc2O1)c1cc([O-])cs1 ZINC000731869138 574605057 /nfs/dbraw/zinc/60/50/57/574605057.db2.gz MRRUFONENKFFEK-NSHDSACASA-N -1 3 275.329 2.187 20 10 CECDHM Cc1noc(C)c1CN(C)C(=O)c1cc([O-])cs1 ZINC000731869393 574605073 /nfs/dbraw/zinc/60/50/73/574605073.db2.gz QVRPDILTRLPZDH-UHFFFAOYSA-N -1 3 266.322 2.331 20 10 CECDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)N1CCCCCC1 ZINC000731910873 574605626 /nfs/dbraw/zinc/60/56/26/574605626.db2.gz VORMGHLMNHBUDZ-JTQLQIEISA-N -1 3 297.376 2.402 20 10 CECDHM O=C(OCc1nnsc1Cl)c1cc([O-])cs1 ZINC000731911277 574605679 /nfs/dbraw/zinc/60/56/79/574605679.db2.gz IWOKRESZTDCNCG-UHFFFAOYSA-N -1 3 276.726 2.316 20 10 CECDHM NC(=O)Nc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000732265680 574616334 /nfs/dbraw/zinc/61/63/34/574616334.db2.gz FSKDZULYLCEREQ-UHFFFAOYSA-N -1 3 277.305 2.197 20 10 CECDHM COc1ccc(CNC(=O)c2cc([O-])cs2)cc1O ZINC000732270928 574616846 /nfs/dbraw/zinc/61/68/46/574616846.db2.gz XRNJUQQKPUEKLR-UHFFFAOYSA-N -1 3 279.317 2.098 20 10 CECDHM CC1(C)CN(C(=O)c2cc([O-])cs2)CCCO1 ZINC000735326400 574753110 /nfs/dbraw/zinc/75/31/10/574753110.db2.gz IYQBJXWBSMLOCR-UHFFFAOYSA-N -1 3 255.339 2.095 20 10 CECDHM CC[N@H+](CC(=O)[O-])Cc1c([O-])ccc2ccc(OC)cc21 ZINC000737074709 574807365 /nfs/dbraw/zinc/80/73/65/574807365.db2.gz KKBASRPDNJUFIJ-UHFFFAOYSA-N -1 3 289.331 2.461 20 10 CECDHM CC[N@@H+](CC(=O)[O-])Cc1c([O-])ccc2ccc(OC)cc21 ZINC000737074709 574807367 /nfs/dbraw/zinc/80/73/67/574807367.db2.gz KKBASRPDNJUFIJ-UHFFFAOYSA-N -1 3 289.331 2.461 20 10 CECDHM CCCn1cc(NC(=O)c2cc([O-])cs2)cn1 ZINC000743720285 575109218 /nfs/dbraw/zinc/10/92/18/575109218.db2.gz YVRHGZDLTWPMPJ-UHFFFAOYSA-N -1 3 251.311 2.313 20 10 CECDHM COc1cccc([O-])c1C[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000818622463 597136649 /nfs/dbraw/zinc/13/66/49/597136649.db2.gz ISHOZRZBOCLWFP-UHFFFAOYSA-N -1 3 287.315 2.389 20 10 CECDHM O=C([O-])[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000086789695 597538653 /nfs/dbraw/zinc/53/86/53/597538653.db2.gz GARGMDGRKVXZAP-GFCCVEGCSA-N -1 3 271.316 2.452 20 10 CECDHM O=C([O-])[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000086789695 597538654 /nfs/dbraw/zinc/53/86/54/597538654.db2.gz GARGMDGRKVXZAP-GFCCVEGCSA-N -1 3 271.316 2.452 20 10 CECDHM O=C(NCCOCC1CCCC1)c1cccc(O)c1[O-] ZINC000313482462 628609751 /nfs/dbraw/zinc/60/97/51/628609751.db2.gz JKMXZPOIGPGODL-UHFFFAOYSA-N -1 3 279.336 2.034 20 10 CECDHM CO[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCO1 ZINC000895964884 630420881 /nfs/dbraw/zinc/42/08/81/630420881.db2.gz ZLKKUHQWEYNQKC-ZDUSSCGKSA-N -1 3 271.744 2.159 20 10 CECDHM Cn1ncc(C2CC2)c1CNCc1c([O-])cccc1F ZINC000896639799 630622282 /nfs/dbraw/zinc/62/22/82/630622282.db2.gz XSQKCYRVBLPWGC-UHFFFAOYSA-N -1 3 275.327 2.432 20 10 CECDHM O=C(Nc1ccc(N2CCC2=O)cc1)c1cccc(O)c1[O-] ZINC000799040656 630963759 /nfs/dbraw/zinc/96/37/59/630963759.db2.gz ZLHHKJYFYSKANT-UHFFFAOYSA-N -1 3 298.298 2.087 20 10 CECDHM O=C([O-])N[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C12CCC2 ZINC000904211984 635521247 /nfs/dbraw/zinc/52/12/47/635521247.db2.gz ADWOOVSVIUBHSL-CHWSQXEVSA-N -1 3 276.336 2.061 20 10 CECDHM CC1(OCC(=O)NCc2c([O-])cccc2F)CCC1 ZINC000928704805 631126791 /nfs/dbraw/zinc/12/67/91/631126791.db2.gz DEYIDUNVGLDSSG-UHFFFAOYSA-N -1 3 267.300 2.107 20 10 CECDHM CO[C@@H]1CCCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928706972 631129106 /nfs/dbraw/zinc/12/91/06/631129106.db2.gz YTCUBTUQVFLYBA-QMTHXVAHSA-N -1 3 281.327 2.353 20 10 CECDHM CC1(C)CO[C@@H](CC(=O)NCc2c([O-])cccc2F)C1 ZINC000928710991 631130010 /nfs/dbraw/zinc/13/00/10/631130010.db2.gz OWMAXQCOHKPCMB-JTQLQIEISA-N -1 3 281.327 2.353 20 10 CECDHM Cn1cncc1CNCc1c([O-])ccc(Cl)c1F ZINC000810160241 632189741 /nfs/dbraw/zinc/18/97/41/632189741.db2.gz ZDGVSFCQYWPYGE-UHFFFAOYSA-N -1 3 269.707 2.208 20 10 CECDHM Cc1cc(Br)c([O-])c(CNc2ncn(C)n2)c1 ZINC000814255337 632819129 /nfs/dbraw/zinc/81/91/29/632819129.db2.gz IXKLGUIIXVNCPW-UHFFFAOYSA-N -1 3 297.156 2.204 20 10 CECDHM COC(=O)CN(C)Cc1ccc2ccccc2c1[O-] ZINC000816488528 633398135 /nfs/dbraw/zinc/39/81/35/633398135.db2.gz WYQFKAZRMAHNCV-UHFFFAOYSA-N -1 3 259.305 2.150 20 10 CECDHM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[C@@H]1O ZINC000816574986 633415616 /nfs/dbraw/zinc/41/56/16/633415616.db2.gz YQQODRUZYAVXDW-PELKAZGASA-N -1 3 273.735 2.387 20 10 CECDHM O=C1CN(Cc2ccc3ccccc3c2[O-])CN1C1CC1 ZINC000816594932 633419680 /nfs/dbraw/zinc/41/96/80/633419680.db2.gz SZOYEMWUMPSBCH-UHFFFAOYSA-N -1 3 282.343 2.310 20 10 CECDHM CC(C)C[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC000818630424 633966392 /nfs/dbraw/zinc/96/63/92/633966392.db2.gz BCWRVGWZPKRPBQ-NSHDSACASA-N -1 3 269.316 2.368 20 10 CECDHM C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])[C@H]1C(=O)[O-] ZINC000818631660 633967660 /nfs/dbraw/zinc/96/76/60/633967660.db2.gz MHQDYYGGBCFASS-TVQRCGJNSA-N -1 3 267.300 2.216 20 10 CECDHM C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])[C@H]1C(=O)[O-] ZINC000818631660 633967662 /nfs/dbraw/zinc/96/76/62/633967662.db2.gz MHQDYYGGBCFASS-TVQRCGJNSA-N -1 3 267.300 2.216 20 10 CECDHM CCOC(=O)[C@@H](C)NCc1cc(Cl)c(C)cc1[O-] ZINC000825667489 635690560 /nfs/dbraw/zinc/69/05/60/635690560.db2.gz ZBMGJXNNKPOGHV-SECBINFHSA-N -1 3 271.744 2.395 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@](F)(CO)C2)cc1Cl ZINC000825803662 635715113 /nfs/dbraw/zinc/71/51/13/635715113.db2.gz DXPSALYEMOVHDW-CYBMUJFWSA-N -1 3 273.735 2.260 20 10 CECDHM [O-]c1cc(Br)ccc1CN1CCO[C@@H]2C[C@@H]21 ZINC000825965270 635739294 /nfs/dbraw/zinc/73/92/94/635739294.db2.gz WYPYLHLDGIUBTA-CMPLNLGQSA-N -1 3 284.153 2.128 20 10 CECDHM CC1(C)C[C@@H](CNC(=O)c2cccc(O)c2[O-])CCO1 ZINC000837221081 639130488 /nfs/dbraw/zinc/13/04/88/639130488.db2.gz ODQDYZBSNVVLBY-JTQLQIEISA-N -1 3 279.336 2.033 20 10 CECDHM CC(C)COCCCNC(=O)NCc1c([O-])cccc1F ZINC000913942419 640172910 /nfs/dbraw/zinc/17/29/10/640172910.db2.gz IHRGLYYCWXREGN-UHFFFAOYSA-N -1 3 298.358 2.393 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](c2cccnc2)C1 ZINC000843962353 640564593 /nfs/dbraw/zinc/56/45/93/640564593.db2.gz BZJVHXDUHSFJGU-GFCCVEGCSA-N -1 3 284.315 2.123 20 10 CECDHM CCOc1ccc(C[N@H+](C)[C@@H](CC)C(=O)[O-])c([O-])c1 ZINC000844937996 640871938 /nfs/dbraw/zinc/87/19/38/640871938.db2.gz SEQKCVZGITWZBY-LBPRGKRZSA-N -1 3 267.325 2.086 20 10 CECDHM CCOc1ccc(C[N@@H+](C)[C@@H](CC)C(=O)[O-])c([O-])c1 ZINC000844937996 640871943 /nfs/dbraw/zinc/87/19/43/640871943.db2.gz SEQKCVZGITWZBY-LBPRGKRZSA-N -1 3 267.325 2.086 20 10 CECDHM O=C(NCCOC1CCCCC1)c1cccc(O)c1[O-] ZINC000126421693 650636296 /nfs/dbraw/zinc/63/62/96/650636296.db2.gz ZHJWTHIWVSBGBH-UHFFFAOYSA-N -1 3 279.336 2.177 20 10 CECDHM CCC[C@H](C)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921452140 641285253 /nfs/dbraw/zinc/28/52/53/641285253.db2.gz FPGRFBCGMVASIB-JTQLQIEISA-N -1 3 289.372 2.387 20 10 CECDHM COc1cccc(CNC(=O)c2ccc(C)cc2[O-])c1O ZINC000068488857 641426009 /nfs/dbraw/zinc/42/60/09/641426009.db2.gz VKLGJBZARSHAGC-UHFFFAOYSA-N -1 3 287.315 2.345 20 10 CECDHM O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000848268068 641941652 /nfs/dbraw/zinc/94/16/52/641941652.db2.gz YPNHWDBSOOVLMY-ZIAGYGMSSA-N -1 3 291.347 2.175 20 10 CECDHM C[C@H]1[C@H](C)N(Cc2ccc(F)c(F)c2[O-])CCN1C ZINC000877409260 650711021 /nfs/dbraw/zinc/71/10/21/650711021.db2.gz ONXPVPDQPZDQQE-UWVGGRQHSA-N -1 3 270.323 2.195 20 10 CECDHM O=C(N[C@@H]1CCOC12CCCCC2)c1cccc(O)c1[O-] ZINC000888307188 642195051 /nfs/dbraw/zinc/19/50/51/642195051.db2.gz BOJRXZSAOZBTKD-CYBMUJFWSA-N -1 3 291.347 2.319 20 10 CECDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1O ZINC000126575790 650778035 /nfs/dbraw/zinc/77/80/35/650778035.db2.gz QHBVAEZADRXTPL-UHFFFAOYSA-N -1 3 259.261 2.364 20 10 CECDHM CCCn1cc(CNCc2cc(Cl)ccc2[O-])nn1 ZINC000877612976 650814251 /nfs/dbraw/zinc/81/42/51/650814251.db2.gz RSBGOQYAXLMIJA-UHFFFAOYSA-N -1 3 280.759 2.337 20 10 CECDHM Cc1ccc(C(=O)N2CCc3ccncc32)c([O-])c1O ZINC000756014415 644594619 /nfs/dbraw/zinc/59/46/19/644594619.db2.gz RLGYFKLKLUOGSL-UHFFFAOYSA-N -1 3 270.288 2.004 20 10 CECDHM CON(C(=O)c1ccc(C)c(O)c1[O-])C1CCCC1 ZINC000757658383 644833152 /nfs/dbraw/zinc/83/31/52/644833152.db2.gz ROYVZENSPQSHEM-UHFFFAOYSA-N -1 3 265.309 2.352 20 10 CECDHM Cc1ccc(C(=O)Nc2cnn(C(F)F)c2)c([O-])c1O ZINC000767917582 646056022 /nfs/dbraw/zinc/05/60/22/646056022.db2.gz KDDVDVQFSIKWJV-UHFFFAOYSA-N -1 3 283.234 2.250 20 10 CECDHM O=C1OCC[C@@H]2CN(Cc3c([O-])cccc3Cl)CCN12 ZINC000770389700 646385374 /nfs/dbraw/zinc/38/53/74/646385374.db2.gz IASOBMNVJGIZTB-SNVBAGLBSA-N -1 3 296.754 2.072 20 10 CECDHM CC(C)CN(CC(N)=O)Cc1cc(Cl)cc(F)c1[O-] ZINC000775653241 646976646 /nfs/dbraw/zinc/97/66/46/646976646.db2.gz AZIZGFHKHIRTSS-UHFFFAOYSA-N -1 3 288.750 2.128 20 10 CECDHM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000776678320 647081979 /nfs/dbraw/zinc/08/19/79/647081979.db2.gz SQGPWJOCDHNRRY-QWHCGFSZSA-N -1 3 293.363 2.421 20 10 CECDHM Cc1ccc(C(=O)NOC2CCCCC2)c([O-])c1O ZINC000779322850 647311401 /nfs/dbraw/zinc/31/14/01/647311401.db2.gz YZBFSHXKBYCFCQ-UHFFFAOYSA-N -1 3 265.309 2.400 20 10 CECDHM Cc1cc(Br)c([O-])c(CN2CCN(C)CC2)c1 ZINC000781902014 647570371 /nfs/dbraw/zinc/57/03/71/647570371.db2.gz XZNWCRIKHXSYJY-UHFFFAOYSA-N -1 3 299.212 2.211 20 10 CECDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000787685053 648128463 /nfs/dbraw/zinc/12/84/63/648128463.db2.gz VRUUZKRFFJRFJC-QMMMGPOBSA-N -1 3 263.215 2.169 20 10 CECDHM Cc1cc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])on1 ZINC000790538298 648428881 /nfs/dbraw/zinc/42/88/81/648428881.db2.gz HDRSFZTXJLUGPX-LLVKDONJSA-N -1 3 288.303 2.372 20 10 CECDHM O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1cccc(O)c1[O-] ZINC000790785844 648447725 /nfs/dbraw/zinc/44/77/25/648447725.db2.gz YYEGTFPKXNHGOG-OCCSQVGLSA-N -1 3 283.327 2.459 20 10 CECDHM [O-]c1cccc(Cl)c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000211706932 651807886 /nfs/dbraw/zinc/80/78/86/651807886.db2.gz IEXUXEMFUALUJS-AOOOYVTPSA-N -1 3 253.729 2.409 20 10 CECDHM COc1ccc(C(=O)NCc2ccccc2O)c([O-])c1 ZINC000133797483 652721016 /nfs/dbraw/zinc/72/10/16/652721016.db2.gz QDZLCWSZVRTOCE-UHFFFAOYSA-N -1 3 273.288 2.036 20 10 CECDHM COC(=O)[C@H]1CCCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142534690 806623466 /nfs/dbraw/zinc/62/34/66/806623466.db2.gz SMCZZSDSQUVVEZ-JTQLQIEISA-N -1 3 299.317 2.446 20 10 CECDHM COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000119231621 810766464 /nfs/dbraw/zinc/76/64/64/810766464.db2.gz KIFUNQFVZRBXCH-CYBMUJFWSA-N -1 3 297.326 2.021 20 10 CECDHM Cc1csc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000393472744 813314868 /nfs/dbraw/zinc/31/48/68/813314868.db2.gz AMWWKFQGVNVZKW-UHFFFAOYSA-N -1 3 263.318 2.398 20 10 CECDHM CC(C)Cc1nnc(-c2ccc(O)c(O)c2[O-])o1 ZINC001256413300 814387265 /nfs/dbraw/zinc/38/72/65/814387265.db2.gz XUCYDVGIUNNAJE-UHFFFAOYSA-N -1 3 250.254 2.052 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001148212575 814536137 /nfs/dbraw/zinc/53/61/37/814536137.db2.gz FAFKNIURDJJIFJ-JQWIXIFHSA-N -1 3 289.331 2.072 20 10 CECDHM CC(C)N(CC1CC1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583875 814591614 /nfs/dbraw/zinc/59/16/14/814591614.db2.gz FGAPLSADSPORQG-UHFFFAOYSA-N -1 3 265.309 2.064 20 10 CECDHM C[C@H]1CCCC[C@@H]1CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148585920 814592043 /nfs/dbraw/zinc/59/20/43/814592043.db2.gz DXKKNDJBGTXIST-VHSXEESVSA-N -1 3 279.336 2.360 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CCN(CC2CC2)CC1 ZINC001139682830 814728396 /nfs/dbraw/zinc/72/83/96/814728396.db2.gz DOLRFJZMEVIZGO-UHFFFAOYSA-N -1 3 282.334 2.198 20 10 CECDHM CCOC(=O)C1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137832620 815691530 /nfs/dbraw/zinc/69/15/30/815691530.db2.gz BJYSSKSORBPUPQ-UHFFFAOYSA-N -1 3 281.327 2.306 20 10 CECDHM CCCOc1ccc(CN2CCC[C@H]2C(=O)OC)c([O-])c1 ZINC000124805290 365660857 /nfs/dbraw/zinc/66/08/57/365660857.db2.gz NGAXPIJXJABZTO-AWEZNQCLSA-N -1 3 293.363 2.318 20 10 CECDHM CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000185817237 368866182 /nfs/dbraw/zinc/86/61/82/368866182.db2.gz YFHKYSYGRJLCIV-LBPRGKRZSA-N -1 3 291.347 2.380 20 10 CECDHM COc1ccnc(CN(C)Cc2ccccc2[O-])c1OC ZINC000190861108 369656671 /nfs/dbraw/zinc/65/66/71/369656671.db2.gz RDAVPZGZFYCNAH-UHFFFAOYSA-N -1 3 288.347 2.436 20 10 CECDHM Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(O)c1[O-])CO2 ZINC000366164535 372994393 /nfs/dbraw/zinc/99/43/93/372994393.db2.gz XOKTZSBRSKXUEM-GFCCVEGCSA-N -1 3 285.299 2.270 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000272252233 373385730 /nfs/dbraw/zinc/38/57/30/373385730.db2.gz IOAPSYCCMZFNFY-TZMCWYRMSA-N -1 3 251.301 2.285 20 10 CECDHM CCCc1nnc(NC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000272760496 373645515 /nfs/dbraw/zinc/64/55/15/373645515.db2.gz LIXHTDKUIQGQCL-UHFFFAOYSA-N -1 3 293.348 2.463 20 10 CECDHM CC(=O)c1cc(F)cc(CN2[C@H](C)CCC[C@H]2CO)c1[O-] ZINC000272697746 373619176 /nfs/dbraw/zinc/61/91/76/373619176.db2.gz VPHMXEKKOIMKPZ-YGRLFVJLSA-N -1 3 295.354 2.469 20 10 CECDHM Cc1ccc([C@@H](C)NCc2nnc3n2CCC3)c([O-])c1 ZINC000273446085 373757974 /nfs/dbraw/zinc/75/79/74/373757974.db2.gz ZXVYFRSUURZXIR-LLVKDONJSA-N -1 3 272.352 2.089 20 10 CECDHM Cc1ccc([C@H](C)NCc2nnc3n2CCC3)c([O-])c1 ZINC000273446087 373758427 /nfs/dbraw/zinc/75/84/27/373758427.db2.gz ZXVYFRSUURZXIR-NSHDSACASA-N -1 3 272.352 2.089 20 10 CECDHM [O-]c1ccc2ccccc2c1CN1CC(n2ccnn2)C1 ZINC000371604969 373933624 /nfs/dbraw/zinc/93/36/24/373933624.db2.gz GNVYQNLXXWRJBC-UHFFFAOYSA-N -1 3 280.331 2.194 20 10 CECDHM CCC[C@@]1(NC(=O)c2ccc(C)c(O)c2[O-])CCOC1 ZINC000287932388 376344151 /nfs/dbraw/zinc/34/41/51/376344151.db2.gz QZRBASMTRGWTOJ-OAHLLOKOSA-N -1 3 279.336 2.095 20 10 CECDHM Cc1ccc(C(=O)NC[C@]2(O)CCCC2(C)C)c([O-])c1O ZINC000294457917 377989132 /nfs/dbraw/zinc/98/91/32/377989132.db2.gz QHNIBODIIUYRCP-MRXNPFEDSA-N -1 3 293.363 2.077 20 10 CECDHM C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@@H]1CO ZINC000294776910 378018306 /nfs/dbraw/zinc/01/83/06/378018306.db2.gz UDLXFKWUZKPUGS-PRHODGIISA-N -1 3 273.735 2.387 20 10 CECDHM CN(Cc1cnn(CC(F)F)c1)Cc1ccccc1[O-] ZINC000295236883 378065732 /nfs/dbraw/zinc/06/57/32/378065732.db2.gz DMHBPEITLIEPJQ-UHFFFAOYSA-N -1 3 281.306 2.486 20 10 CECDHM [O-]c1ccc(Br)cc1CN1CCCOCC1 ZINC000132727389 394936771 /nfs/dbraw/zinc/93/67/71/394936771.db2.gz HLBOMJPBZDURPF-UHFFFAOYSA-N -1 3 286.169 2.377 20 10 CECDHM COCCOCCN(C)Cc1c([O-])cccc1Cl ZINC000290095522 395094555 /nfs/dbraw/zinc/09/45/55/395094555.db2.gz HHUPRNQZOCTZRD-UHFFFAOYSA-N -1 3 273.760 2.140 20 10 CECDHM Cc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCO2)c([O-])c1O ZINC000375976001 395105717 /nfs/dbraw/zinc/10/57/17/395105717.db2.gz SPTALUMAVYUMSQ-QWHCGFSZSA-N -1 3 291.347 2.190 20 10 CECDHM COCc1noc([C@@H](C)N(C)Cc2ccccc2[O-])n1 ZINC000182161152 395233603 /nfs/dbraw/zinc/23/36/03/395233603.db2.gz BCKAOUFSQTUBQP-SNVBAGLBSA-N -1 3 277.324 2.115 20 10 CECDHM CCOC1(C)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000293673523 395246989 /nfs/dbraw/zinc/24/69/89/395246989.db2.gz NWCRJIGKWIIRRU-UHFFFAOYSA-N -1 3 279.336 2.129 20 10 CECDHM COC[C@@H](C)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179368099 395192119 /nfs/dbraw/zinc/19/21/19/395192119.db2.gz WBKQTZAFUPJABD-MRVPVSSYSA-N -1 3 288.731 2.421 20 10 CECDHM Cc1ccc(C(=O)N[C@H]2CCOC(C)(C)C2)c([O-])c1O ZINC000163697519 261326217 /nfs/dbraw/zinc/32/62/17/261326217.db2.gz JQHZBYFZONQCAH-JTQLQIEISA-N -1 3 279.336 2.094 20 10 CECDHM CCC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2[O-])CCO1 ZINC000182943670 261956854 /nfs/dbraw/zinc/95/68/54/261956854.db2.gz GKOJOZCGPQNVIR-LLVKDONJSA-N -1 3 279.336 2.047 20 10 CECDHM CC(C)[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCS1 ZINC000187150629 262126780 /nfs/dbraw/zinc/12/67/80/262126780.db2.gz SGFCDWZPZSTRDA-GFCCVEGCSA-N -1 3 281.377 2.311 20 10 CECDHM CSC1(CNC(=O)c2ccc(C)c(O)c2[O-])CCC1 ZINC000194622668 262240267 /nfs/dbraw/zinc/24/02/67/262240267.db2.gz HPUNSOIEBSYTMC-UHFFFAOYSA-N -1 3 281.377 2.422 20 10 CECDHM CC[C@H](C)[C@@H](CNC(=O)c1ccc(C)c(O)c1[O-])OC ZINC000296269206 263188846 /nfs/dbraw/zinc/18/88/46/263188846.db2.gz WWFXSFDOYXWQQS-JOYOIKCWSA-N -1 3 281.352 2.197 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000368034793 267138900 /nfs/dbraw/zinc/13/89/00/267138900.db2.gz CSRFEAZEEXTFOG-GXTWGEPZSA-N -1 3 297.420 2.210 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCS(=O)(=O)CC[C@@H]1C ZINC000368037442 267140423 /nfs/dbraw/zinc/14/04/23/267140423.db2.gz MXDOUGVERNGSHZ-GXTWGEPZSA-N -1 3 297.420 2.352 20 10 CECDHM [O-]c1c(F)cccc1CN1CCN([C@H]2CCSC2)CC1 ZINC000368592513 267190226 /nfs/dbraw/zinc/19/02/26/267190226.db2.gz QLNKTBYYFXQCLV-ZDUSSCGKSA-N -1 3 296.411 2.154 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCO[C@@H]2CCOC[C@@H]21 ZINC000366498136 281025489 /nfs/dbraw/zinc/02/54/89/281025489.db2.gz RFJXWONGZIOFLT-IJEWVQPXSA-N -1 3 277.364 2.333 20 10 CECDHM Cc1ccc(C(=O)N(C)C[C@H]2CCCCO2)c([O-])c1O ZINC000267599857 328179408 /nfs/dbraw/zinc/17/94/08/328179408.db2.gz PBQAJADFWFDVFO-LLVKDONJSA-N -1 3 279.336 2.047 20 10 CECDHM CCN(CC(=O)OC)Cc1c([O-])cccc1Cl ZINC000271151473 328195567 /nfs/dbraw/zinc/19/55/67/328195567.db2.gz KTKNILKKRKGFDP-UHFFFAOYSA-N -1 3 257.717 2.041 20 10 CECDHM COc1cncc(CN(C)Cc2ccccc2[O-])c1 ZINC000289950377 328257045 /nfs/dbraw/zinc/25/70/45/328257045.db2.gz PDTMSPNZHANBJB-UHFFFAOYSA-N -1 3 258.321 2.428 20 10 CECDHM COc1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)O3)c1[O-] ZINC000228666696 329058655 /nfs/dbraw/zinc/05/86/55/329058655.db2.gz MOKNTMJASNBQCT-TXEJJXNPSA-N -1 3 283.755 2.417 20 10 CECDHM CC[C@@H](NCc1nncn1CC)c1ccccc1[O-] ZINC000230971663 333323159 /nfs/dbraw/zinc/32/31/59/333323159.db2.gz DTZRYHRZUNSZHG-GFCCVEGCSA-N -1 3 260.341 2.245 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](C)[C@H]2C)c1[O-] ZINC000156367668 518288274 /nfs/dbraw/zinc/28/82/74/518288274.db2.gz RFURAEGLFNIJKG-MWLCHTKSSA-N -1 3 281.327 2.343 20 10 CECDHM CCCOc1ccc(CN2CCO[C@@H]3C[C@@H]32)c([O-])c1 ZINC000366544599 520352404 /nfs/dbraw/zinc/35/24/04/520352404.db2.gz MUVIMMHUPQZJMO-DZGCQCFKSA-N -1 3 263.337 2.154 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](c2ccco2)C1 ZINC000364828489 526771814 /nfs/dbraw/zinc/77/18/14/526771814.db2.gz FJYYXSQLAXSWEL-JTQLQIEISA-N -1 3 273.288 2.321 20 10 CECDHM O=C(NCCCC(F)(F)F)c1cccc(O)c1[O-] ZINC000126502470 527637159 /nfs/dbraw/zinc/63/71/59/527637159.db2.gz WZWTUGASRXQHHK-UHFFFAOYSA-N -1 3 263.215 2.170 20 10 CECDHM O=C(NCc1ccccc1[N+](=O)[O-])c1cc([O-])cs1 ZINC000732273068 574617016 /nfs/dbraw/zinc/61/70/16/574617016.db2.gz UXMOWRMTLPFYST-UHFFFAOYSA-N -1 3 278.289 2.292 20 10 CECDHM CCO[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732278179 574617221 /nfs/dbraw/zinc/61/72/21/574617221.db2.gz VMROSDRPQVJFBG-SNVBAGLBSA-N -1 3 255.339 2.095 20 10 CECDHM CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732352691 574619434 /nfs/dbraw/zinc/61/94/34/574619434.db2.gz CDVIXKYXDPQIRC-DTWKUNHWSA-N -1 3 285.365 2.304 20 10 CECDHM COC(=O)c1ccc(CNCc2c([O-])cccc2OC)o1 ZINC000734159861 574703849 /nfs/dbraw/zinc/70/38/49/574703849.db2.gz JYHQKONJFODVMV-UHFFFAOYSA-N -1 3 291.303 2.070 20 10 CECDHM CC(C)C[C@@H](CNC(=O)[O-])NCc1ccc2c(c1)CCO2 ZINC000738813032 574770362 /nfs/dbraw/zinc/77/03/62/574770362.db2.gz WQHDSEBSJXNVIO-AWEZNQCLSA-N -1 3 292.379 2.393 20 10 CECDHM O=C([O-])N1CCCC[C@@H](NCc2ccc3c(c2)CCO3)C1 ZINC000740518033 574957723 /nfs/dbraw/zinc/95/77/23/574957723.db2.gz HGUNYYFSZSEYDV-CQSZACIVSA-N -1 3 290.363 2.244 20 10 CECDHM CN1C(=O)C2(CCCC2)N[C@@H]1c1cc(Cl)ccc1[O-] ZINC000742441771 575022017 /nfs/dbraw/zinc/02/20/17/575022017.db2.gz HPFRDSOPMUBSPF-LBPRGKRZSA-N -1 3 280.755 2.419 20 10 CECDHM COc1ccc(NC(=O)c2cc([O-])cs2)nc1 ZINC000743717240 575109147 /nfs/dbraw/zinc/10/91/47/575109147.db2.gz RPVVYQDLLZLCOL-UHFFFAOYSA-N -1 3 250.279 2.110 20 10 CECDHM CC1(C)[C@H](NC(=O)c2cc([O-])cs2)[C@@H]2CCCO[C@H]21 ZINC000743658691 575108435 /nfs/dbraw/zinc/10/84/35/575108435.db2.gz BRXAWESJQPXNJG-MVWJERBFSA-N -1 3 281.377 2.387 20 10 CECDHM CCCn1nccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000751533253 575291534 /nfs/dbraw/zinc/29/15/34/575291534.db2.gz MCKWUPPMHZYQSJ-UHFFFAOYSA-N -1 3 275.308 2.265 20 10 CECDHM C[C@@H](C(=O)[O-])[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000086756414 597482957 /nfs/dbraw/zinc/48/29/57/597482957.db2.gz KCMFSNGFSVLBLA-JTQLQIEISA-N -1 3 259.305 2.450 20 10 CECDHM C[C@@H](C(=O)[O-])[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000086756414 597482958 /nfs/dbraw/zinc/48/29/58/597482958.db2.gz KCMFSNGFSVLBLA-JTQLQIEISA-N -1 3 259.305 2.450 20 10 CECDHM [O-]c1c(Br)cccc1CNCc1ncc[nH]1 ZINC000070819478 623574530 /nfs/dbraw/zinc/57/45/30/623574530.db2.gz GTAPJGRWHCWEAE-UHFFFAOYSA-N -1 3 282.141 2.168 20 10 CECDHM Cc1nnc([C@@H](C)NCc2c([O-])ccc(Cl)c2F)[nH]1 ZINC000894774454 629629313 /nfs/dbraw/zinc/62/93/13/629629313.db2.gz SMPZZLKXGUZBQV-ZCFIWIBFSA-N -1 3 284.722 2.462 20 10 CECDHM Cc1nc([C@@H](C)NCc2c([O-])ccc(Cl)c2F)n[nH]1 ZINC000894774454 629629314 /nfs/dbraw/zinc/62/93/14/629629314.db2.gz SMPZZLKXGUZBQV-ZCFIWIBFSA-N -1 3 284.722 2.462 20 10 CECDHM CC(C)(C)n1ccc(C(=O)NCc2c([O-])cccc2F)n1 ZINC000928705609 631127695 /nfs/dbraw/zinc/12/76/95/631127695.db2.gz KFQAARVTGODVPO-UHFFFAOYSA-N -1 3 291.326 2.413 20 10 CECDHM CC(=O)[C@@H]1C[C@H](C(=O)NCc2c([O-])cccc2F)C1(C)C ZINC000928707121 631128541 /nfs/dbraw/zinc/12/85/41/631128541.db2.gz AIXNEFHKWCKMGN-NWDGAFQWSA-N -1 3 293.338 2.399 20 10 CECDHM Cc1nc(C)c(CC(=O)NCc2c([O-])cccc2F)s1 ZINC000928711089 631129839 /nfs/dbraw/zinc/12/98/39/631129839.db2.gz PZFRAVJBJGSNDR-UHFFFAOYSA-N -1 3 294.351 2.464 20 10 CECDHM C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928710234 631130358 /nfs/dbraw/zinc/13/03/58/631130358.db2.gz QQRVJNTZKZUVHX-YTWAJWBKSA-N -1 3 263.312 2.440 20 10 CECDHM O=C(Nc1cnc(CC2CC2)nc1)c1cccc(O)c1[O-] ZINC000803557506 631585393 /nfs/dbraw/zinc/58/53/93/631585393.db2.gz DIWFDGVFJNASGS-UHFFFAOYSA-N -1 3 285.303 2.093 20 10 CECDHM O=C1NCCC2(CN(Cc3ccc4ccccc4c3[O-])C2)O1 ZINC000897751179 631891372 /nfs/dbraw/zinc/89/13/72/631891372.db2.gz KYLQDMXRSCUTST-UHFFFAOYSA-N -1 3 298.342 2.230 20 10 CECDHM Cn1cnc(CNCc2c([O-])cccc2Cl)c1 ZINC000898045679 632010424 /nfs/dbraw/zinc/01/04/24/632010424.db2.gz RWGGYQSLXSPSOI-UHFFFAOYSA-N -1 3 251.717 2.069 20 10 CECDHM Cc1cc([O-])c(CN(C)CC(=O)NC2CC2)cc1Cl ZINC000824534520 635444314 /nfs/dbraw/zinc/44/43/14/635444314.db2.gz FSPDPILCXHQCMO-UHFFFAOYSA-N -1 3 282.771 2.064 20 10 CECDHM Cc1cc([O-])c(CN2CCC3(C2)OCCO3)cc1Cl ZINC000824701710 635481208 /nfs/dbraw/zinc/48/12/08/635481208.db2.gz FJJCQWYTVBHLEP-UHFFFAOYSA-N -1 3 283.755 2.303 20 10 CECDHM COC(=O)NC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000827929580 636461347 /nfs/dbraw/zinc/46/13/47/636461347.db2.gz NLKWQXCVXZKGKX-UHFFFAOYSA-N -1 3 298.770 2.366 20 10 CECDHM CC(C)n1[nH]cnc1=NCc1c([O-])cccc1Cl ZINC000840887236 639573943 /nfs/dbraw/zinc/57/39/43/639573943.db2.gz UAXHYKHMPPRHMS-UHFFFAOYSA-N -1 3 266.732 2.252 20 10 CECDHM CCC(C)(C)CS(=O)(=O)NCc1c([O-])cccc1F ZINC000921451525 641284024 /nfs/dbraw/zinc/28/40/24/641284024.db2.gz RDUFEWBJNMCLPT-UHFFFAOYSA-N -1 3 289.372 2.387 20 10 CECDHM O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000848268065 641941496 /nfs/dbraw/zinc/94/14/96/641941496.db2.gz YPNHWDBSOOVLMY-KBPBESRZSA-N -1 3 291.347 2.175 20 10 CECDHM Cc1noc([C@@H](C)N(C)Cc2cc(F)ccc2[O-])n1 ZINC000848926351 642198235 /nfs/dbraw/zinc/19/82/35/642198235.db2.gz VMDNVMHVDGTZOH-MRVPVSSYSA-N -1 3 265.288 2.416 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCSC1 ZINC000922253456 642983130 /nfs/dbraw/zinc/98/31/30/642983130.db2.gz UGBKSAPVXPPUKG-VIFPVBQESA-N -1 3 284.356 2.084 20 10 CECDHM C[C@@H](F)CCNC(=O)NCc1c([O-])cccc1F ZINC000922618127 643164955 /nfs/dbraw/zinc/16/49/55/643164955.db2.gz GAZXURMHJDLRAR-MRVPVSSYSA-N -1 3 258.268 2.079 20 10 CECDHM C[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)CS1 ZINC000922881995 643308672 /nfs/dbraw/zinc/30/86/72/643308672.db2.gz LBMWOOMXBXVZQP-IUCAKERBSA-N -1 3 284.356 2.225 20 10 CECDHM CN(Cc1ccccc1O)C(=O)c1cccc(O)c1[O-] ZINC000186961499 643376840 /nfs/dbraw/zinc/37/68/40/643376840.db2.gz AJBZAOFRSTVMPM-UHFFFAOYSA-N -1 3 273.288 2.076 20 10 CECDHM CC(C)(C)c1ncc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000187021217 643394742 /nfs/dbraw/zinc/39/47/42/643394742.db2.gz LAUNUONISSBJSM-UHFFFAOYSA-N -1 3 287.319 2.438 20 10 CECDHM C[C@@H](c1ccncc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000187031072 643430159 /nfs/dbraw/zinc/43/01/59/643430159.db2.gz SPMFNTUOYREVCR-JTQLQIEISA-N -1 3 272.304 2.326 20 10 CECDHM CC1(C)OCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000923347607 643671698 /nfs/dbraw/zinc/67/16/98/643671698.db2.gz TULATJYWMXDTKF-SNVBAGLBSA-N -1 3 296.342 2.146 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NCC1CC=CC1 ZINC000923403844 643698277 /nfs/dbraw/zinc/69/82/77/643698277.db2.gz SMWHQSVPPTXBBE-UHFFFAOYSA-N -1 3 264.300 2.297 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2CCCC[C@H]2C1 ZINC000187170381 643724370 /nfs/dbraw/zinc/72/43/70/643724370.db2.gz WBSQJOXAHZDTFZ-QWRGUYRKSA-N -1 3 261.321 2.360 20 10 CECDHM C[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000756380290 644639558 /nfs/dbraw/zinc/63/95/58/644639558.db2.gz GRDCNQWIGYEZNL-BONVTDFDSA-N -1 3 288.322 2.409 20 10 CECDHM CCOC(=O)[C@H](C)N(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000761870563 645329381 /nfs/dbraw/zinc/32/93/81/645329381.db2.gz FWJGGAMBBLVXES-VIFPVBQESA-N -1 3 297.326 2.117 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](CCF)C2)c1[O-] ZINC000859904566 645651017 /nfs/dbraw/zinc/65/10/17/645651017.db2.gz IHPLTIZITCAMMW-ZDUSSCGKSA-N -1 3 299.317 2.294 20 10 CECDHM CC(C)CN1CCN(Cc2cc(Cl)ccc2[O-])CC1=O ZINC000779199893 647297258 /nfs/dbraw/zinc/29/72/58/647297258.db2.gz MELMQVFVNCUVNZ-UHFFFAOYSA-N -1 3 296.798 2.346 20 10 CECDHM C[C@H]1CCN(Cc2c([O-])cccc2Cl)[C@@H](C(N)=O)C1 ZINC000779200498 647297452 /nfs/dbraw/zinc/29/74/52/647297452.db2.gz HDEMKOMTPINKBZ-JOYOIKCWSA-N -1 3 282.771 2.131 20 10 CECDHM COc1ccc(C)nc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780957056 647484776 /nfs/dbraw/zinc/48/47/76/647484776.db2.gz VUFGCBKIULZTPD-UHFFFAOYSA-N -1 3 288.303 2.371 20 10 CECDHM O=C(NCC1Cc2ccccc2C1)c1cccc(O)c1[O-] ZINC000790732169 648443050 /nfs/dbraw/zinc/44/30/50/648443050.db2.gz AVIWROIFDQXDMJ-UHFFFAOYSA-N -1 3 283.327 2.243 20 10 CECDHM O=C(NCc1cc(Cl)ccn1)c1cccc(O)c1[O-] ZINC000790912135 648459760 /nfs/dbraw/zinc/45/97/60/648459760.db2.gz NVTUZSWJOMOHST-UHFFFAOYSA-N -1 3 278.695 2.076 20 10 CECDHM CCn1ccc(CNCc2cc(F)cc(F)c2[O-])n1 ZINC000883145645 652377988 /nfs/dbraw/zinc/37/79/88/652377988.db2.gz IZBGXBIUPQCGQQ-UHFFFAOYSA-N -1 3 267.279 2.177 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CC[C@]2(CCCO2)C1 ZINC001142508781 806607783 /nfs/dbraw/zinc/60/77/83/806607783.db2.gz LGKZAZOTAZAACQ-CQSZACIVSA-N -1 3 269.291 2.425 20 10 CECDHM CC(=O)[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142527061 806619321 /nfs/dbraw/zinc/61/93/21/806619321.db2.gz IZJUVCCVWLKKKL-SNVBAGLBSA-N -1 3 269.291 2.471 20 10 CECDHM COC(=O)[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CC12CC2 ZINC001142534241 806623494 /nfs/dbraw/zinc/62/34/94/806623494.db2.gz BBZCOTDNFSEEST-JTQLQIEISA-N -1 3 297.301 2.055 20 10 CECDHM O=C(N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1cccc(O)c1[O-] ZINC001167570571 803138905 /nfs/dbraw/zinc/13/89/05/803138905.db2.gz FYAACXNDGJVQLZ-NWANDNLSSA-N -1 3 299.301 2.305 20 10 CECDHM O=C([O-])[C@]12C[N@H+](Cc3ccccc3[O-])C[C@H]1CCCC2 ZINC000715878020 803677379 /nfs/dbraw/zinc/67/73/79/803677379.db2.gz ZTMBQCMPTANFHB-CZUORRHYSA-N -1 3 275.348 2.469 20 10 CECDHM O=C([O-])[C@]12C[N@@H+](Cc3ccccc3[O-])C[C@H]1CCCC2 ZINC000715878020 803677384 /nfs/dbraw/zinc/67/73/84/803677384.db2.gz ZTMBQCMPTANFHB-CZUORRHYSA-N -1 3 275.348 2.469 20 10 CECDHM O=C(c1cccc(O)c1[O-])N(Cc1ccoc1)C1CC1 ZINC000723738158 811029694 /nfs/dbraw/zinc/02/96/94/811029694.db2.gz ZZDKUTIJNBCDAV-UHFFFAOYSA-N -1 3 273.288 2.496 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)C[C@@H]2C)c1[O-] ZINC000384957726 813126349 /nfs/dbraw/zinc/12/63/49/813126349.db2.gz RCWKPYKVBCRYOH-UFBFGSQYSA-N -1 3 283.755 2.203 20 10 CECDHM Cc1nnc(CNCc2c([O-])cccc2Cl)s1 ZINC000391839242 813291260 /nfs/dbraw/zinc/29/12/60/813291260.db2.gz LPXSMMXBACWZFQ-UHFFFAOYSA-N -1 3 269.757 2.495 20 10 CECDHM O=C(NCc1ccc2ocnc2c1)c1cccc(O)c1[O-] ZINC001148223929 814537552 /nfs/dbraw/zinc/53/75/52/814537552.db2.gz ABOVONVFKXETKZ-UHFFFAOYSA-N -1 3 284.271 2.169 20 10 CECDHM CC(=O)Oc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC001148218913 814537671 /nfs/dbraw/zinc/53/76/71/814537671.db2.gz NXWPGRUHDRMVLL-UHFFFAOYSA-N -1 3 287.271 2.275 20 10 CECDHM O=C(NC1(Cc2ccc(O)cc2)CC1)c1cccc(O)c1[O-] ZINC001148225949 814539901 /nfs/dbraw/zinc/53/99/01/814539901.db2.gz YTZROEOIDBYISE-UHFFFAOYSA-N -1 3 299.326 2.309 20 10 CECDHM O=C(N[C@@H]1CCCC(F)(F)C1)c1cc(O)c([O-])c(O)c1 ZINC001148589598 814591911 /nfs/dbraw/zinc/59/19/11/814591911.db2.gz DIDILNXDYNUKGR-MRVPVSSYSA-N -1 3 287.262 2.111 20 10 CECDHM [O-]c1c(F)cccc1CN1CC(N2CCC(F)CC2)C1 ZINC001138128381 815733425 /nfs/dbraw/zinc/73/34/25/815733425.db2.gz GIJBAPYSXBNGKT-UHFFFAOYSA-N -1 3 282.334 2.149 20 10 CECDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)cc1N ZINC001174566591 816049887 /nfs/dbraw/zinc/04/98/87/816049887.db2.gz XZQAABBJRBJCNZ-UHFFFAOYSA-N -1 3 296.323 2.223 20 10 CECDHM C[C@@]1(O)CCN(Cc2ccc(Cl)cc2[O-])C[C@@H]1F ZINC001140462292 816260664 /nfs/dbraw/zinc/26/06/64/816260664.db2.gz DPNWBLHQFYYAOB-QWHCGFSZSA-N -1 3 273.735 2.340 20 10 CECDHM CN(CCn1cccn1)Cc1cccc(Cl)c1[O-] ZINC000180222558 368373632 /nfs/dbraw/zinc/37/36/32/368373632.db2.gz NDTOIUFZNXRDDD-UHFFFAOYSA-N -1 3 265.744 2.374 20 10 CECDHM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])C(=O)NC(C)(C)C ZINC000181235119 368434948 /nfs/dbraw/zinc/43/49/48/368434948.db2.gz MJBNQZWGYJUUEX-NXEZZACHSA-N -1 3 282.359 2.485 20 10 CECDHM Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(O)c1[O-])CO2 ZINC000366164540 372995072 /nfs/dbraw/zinc/99/50/72/372995072.db2.gz XOKTZSBRSKXUEM-LBPRGKRZSA-N -1 3 285.299 2.270 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1c1ccccc1 ZINC000366174645 372998242 /nfs/dbraw/zinc/99/82/42/372998242.db2.gz ZQNCVPQBBYABJA-AWEZNQCLSA-N -1 3 299.326 2.312 20 10 CECDHM O=C(NC1CC1)[C@@H]1CCCN1Cc1c([O-])cccc1Cl ZINC000271060637 373099155 /nfs/dbraw/zinc/09/91/55/373099155.db2.gz FFTSGTJDVHPIHM-ZDUSSCGKSA-N -1 3 294.782 2.289 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCO[C@H]2CCOC[C@H]21 ZINC000366495799 373071220 /nfs/dbraw/zinc/07/12/20/373071220.db2.gz HLQVSQIXWPTQQA-OCCSQVGLSA-N -1 3 283.755 2.035 20 10 CECDHM COC(=O)[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000271732874 373200770 /nfs/dbraw/zinc/20/07/70/373200770.db2.gz NOQYLLBNJINMBZ-JTQLQIEISA-N -1 3 269.728 2.041 20 10 CECDHM [O-]c1c(F)cccc1CN1CCN(C2CCC2)CC1 ZINC000272307768 373422804 /nfs/dbraw/zinc/42/28/04/373422804.db2.gz RCUPUKMYKRNHGD-UHFFFAOYSA-N -1 3 264.344 2.201 20 10 CECDHM Cc1ccc(C(=O)N[C@]2(C)CCO[C@H]2C2CC2)c([O-])c1O ZINC000273446253 373757097 /nfs/dbraw/zinc/75/70/97/373757097.db2.gz GROCJZPAMUGHEW-GOEBONIOSA-N -1 3 291.347 2.094 20 10 CECDHM CC[C@@H](NCc1cnnn1C)c1cccc(Cl)c1[O-] ZINC000287178673 376166410 /nfs/dbraw/zinc/16/64/10/376166410.db2.gz CNQZKNFIYMZLNB-GFCCVEGCSA-N -1 3 280.759 2.415 20 10 CECDHM COc1ccncc1CN(C)Cc1ccccc1[O-] ZINC000287566238 376262418 /nfs/dbraw/zinc/26/24/18/376262418.db2.gz BMAKDLKCTJCJKP-UHFFFAOYSA-N -1 3 258.321 2.428 20 10 CECDHM CC1(C)CN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1O ZINC000294819821 378022779 /nfs/dbraw/zinc/02/27/79/378022779.db2.gz XLLUZNLJRVTBTK-LBPRGKRZSA-N -1 3 273.735 2.387 20 10 CECDHM CC[C@H](N[C@H](C(N)=O)c1ccccn1)c1ccc(C)cc1[O-] ZINC000296639291 378602049 /nfs/dbraw/zinc/60/20/49/378602049.db2.gz BYABNYRLPRWFOO-BBRMVZONSA-N -1 3 299.374 2.363 20 10 CECDHM Cc1ncsc1CCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000297010932 378661977 /nfs/dbraw/zinc/66/19/77/378661977.db2.gz SFYMADDMMWZLDL-UHFFFAOYSA-N -1 3 292.360 2.144 20 10 CECDHM Cc1ccc(C(=O)NCCC[C@@H]2CCCCO2)c([O-])c1O ZINC000184354351 262017561 /nfs/dbraw/zinc/01/75/61/262017561.db2.gz XZMZCPODZDROBK-LBPRGKRZSA-N -1 3 293.363 2.485 20 10 CECDHM CCN(Cc1cc(Cl)cc(C)c1[O-])[C@H]1CCNC1=O ZINC000281844082 394861594 /nfs/dbraw/zinc/86/15/94/394861594.db2.gz TXRRRDHIPZYTDA-LBPRGKRZSA-N -1 3 282.771 2.064 20 10 CECDHM CC[C@H](c1ccccc1[O-])N1CCO[C@@H]2CCOC[C@H]21 ZINC000366498135 394946413 /nfs/dbraw/zinc/94/64/13/394946413.db2.gz RFJXWONGZIOFLT-IIAWOOMASA-N -1 3 277.364 2.333 20 10 CECDHM CC(C)OC[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000372123956 395034976 /nfs/dbraw/zinc/03/49/76/395034976.db2.gz GRCJXIBKOMHWRU-AWEZNQCLSA-N -1 3 283.343 2.157 20 10 CECDHM Cc1cc(CN2CCN(Cc3ccccc3[O-])CC2)on1 ZINC000179554689 395194763 /nfs/dbraw/zinc/19/47/63/395194763.db2.gz CRQSQXJJKYPBDW-UHFFFAOYSA-N -1 3 287.363 2.006 20 10 CECDHM CCCc1nccn1CC(=O)c1ccc([O-])c(O)c1 ZINC000158150917 261160089 /nfs/dbraw/zinc/16/00/89/261160089.db2.gz WCCXXVPLASSZCI-UHFFFAOYSA-N -1 3 260.293 2.130 20 10 CECDHM C[C@@H]1OCC[C@]12CN(Cc1cc(Cl)ccc1[O-])CCO2 ZINC000377274182 268062946 /nfs/dbraw/zinc/06/29/46/268062946.db2.gz WNSLEDALAUGYPI-NHYWBVRUSA-N -1 3 297.782 2.425 20 10 CECDHM CC(C)CN(CC(N)=O)Cc1cc(Cl)c(F)cc1[O-] ZINC000295323646 277378670 /nfs/dbraw/zinc/37/86/70/277378670.db2.gz LMXHMEFYOUQSSQ-UHFFFAOYSA-N -1 3 288.750 2.128 20 10 CECDHM CC[C@H](CO)N(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000293876434 327172347 /nfs/dbraw/zinc/17/23/47/327172347.db2.gz FISWPQCVGVDEKM-GFCCVEGCSA-N -1 3 285.771 2.451 20 10 CECDHM O=C(NC[C@H]1CCOc2ccccc21)c1cccc(O)c1[O-] ZINC000193049722 329438483 /nfs/dbraw/zinc/43/84/83/329438483.db2.gz OABRQDOIVPKRCU-LLVKDONJSA-N -1 3 299.326 2.394 20 10 CECDHM O=C(/C=C/c1cncc([O-])c1)N1CCOCc2ccccc21 ZINC000491984437 332378197 /nfs/dbraw/zinc/37/81/97/332378197.db2.gz PGHSKRFXKXMWCJ-AATRIKPKSA-N -1 3 296.326 2.364 20 10 CECDHM O=C1COc2c(NCc3cc(F)ccc3[O-])cccc2N1 ZINC000367967013 501077859 /nfs/dbraw/zinc/07/78/59/501077859.db2.gz SJIPCZIAWYNUAV-UHFFFAOYSA-N -1 3 288.278 2.474 20 10 CECDHM CC(C)(O)C1CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000297370238 519339628 /nfs/dbraw/zinc/33/96/28/519339628.db2.gz IKQZQSIZWFKRQT-UHFFFAOYSA-N -1 3 273.735 2.387 20 10 CECDHM CCCN(Cc1noc(C)n1)Cc1ccccc1[O-] ZINC000068973717 521696799 /nfs/dbraw/zinc/69/67/99/521696799.db2.gz DCXWHNLDKGPMRY-UHFFFAOYSA-N -1 3 261.325 2.496 20 10 CECDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)CC[S@](=O)C1 ZINC000277361997 524982094 /nfs/dbraw/zinc/98/20/94/524982094.db2.gz FHFZDAFSIHIBNN-MGNBDDOMSA-N -1 3 287.812 2.246 20 10 CECDHM Cc1nnsc1CNCc1cccc(Cl)c1[O-] ZINC000292803841 526446387 /nfs/dbraw/zinc/44/63/87/526446387.db2.gz NVWJKCKMFUTALM-UHFFFAOYSA-N -1 3 269.757 2.495 20 10 CECDHM [O-]c1c(Cl)cccc1CN1CCC(F)(F)[C@H](CO)C1 ZINC000291236838 527595521 /nfs/dbraw/zinc/59/55/21/527595521.db2.gz KXHLFEINKKIOKE-JTQLQIEISA-N -1 3 291.725 2.495 20 10 CECDHM O=C(NCCCOCC1CC1)c1cc([O-])cs1 ZINC000731865685 574604283 /nfs/dbraw/zinc/60/42/83/574604283.db2.gz RANCVEOBPNPVOK-UHFFFAOYSA-N -1 3 255.339 2.000 20 10 CECDHM C[C@@H]1CCCCN1C(=O)COC(=O)c1cc([O-])cs1 ZINC000731910917 574605579 /nfs/dbraw/zinc/60/55/79/574605579.db2.gz WSZSKUQCGCKYDN-SECBINFHSA-N -1 3 283.349 2.012 20 10 CECDHM O=C(NCc1ccc2c(c1)CCO2)c1cc([O-])cs1 ZINC000732281747 574618031 /nfs/dbraw/zinc/61/80/31/574618031.db2.gz BWZLIKLFXHBZAA-UHFFFAOYSA-N -1 3 275.329 2.319 20 10 CECDHM Cc1nccn1C[C@H](C)CNC(=O)c1cc([O-])cs1 ZINC000732274136 574617307 /nfs/dbraw/zinc/61/73/07/574617307.db2.gz CVPUVEQJAPAYMC-SECBINFHSA-N -1 3 279.365 2.025 20 10 CECDHM CN(CCc1ccncc1)C(=O)c1cc([O-])cs1 ZINC000732278045 574617380 /nfs/dbraw/zinc/61/73/80/574617380.db2.gz COJCMNCNMSQREL-UHFFFAOYSA-N -1 3 262.334 2.163 20 10 CECDHM CN(C)c1ccc(NC(=O)c2cc([O-])cs2)nc1 ZINC000732279147 574617574 /nfs/dbraw/zinc/61/75/74/574617574.db2.gz ZCXJFFIQWXLPHV-UHFFFAOYSA-N -1 3 263.322 2.167 20 10 CECDHM CCO[C@@H](C)c1noc(COC(=O)c2cc([O-])cs2)n1 ZINC000736825727 574798022 /nfs/dbraw/zinc/79/80/22/574798022.db2.gz PHWAOBDQCVQYRY-ZETCQYMHSA-N -1 3 298.320 2.291 20 10 CECDHM Cc1cc([O-])c(C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1C ZINC000740089385 574941578 /nfs/dbraw/zinc/94/15/78/574941578.db2.gz SFXZXOCTAJWMBI-GXTWGEPZSA-N -1 3 292.379 2.487 20 10 CECDHM Cc1cc([O-])c(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)cc1C ZINC000740089385 574941580 /nfs/dbraw/zinc/94/15/80/574941580.db2.gz SFXZXOCTAJWMBI-GXTWGEPZSA-N -1 3 292.379 2.487 20 10 CECDHM CS[C@@H]1CC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000743729395 575109271 /nfs/dbraw/zinc/10/92/71/575109271.db2.gz ZNOMKMHAWVCANX-IONNQARKSA-N -1 3 257.380 2.468 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC(OCC2CC2)CC1 ZINC000743816705 575110056 /nfs/dbraw/zinc/11/00/56/575110056.db2.gz ODXOBMDSDYBOPI-UHFFFAOYSA-N -1 3 281.377 2.485 20 10 CECDHM CC1(C)[C@H](NC(=O)c2cc([O-])cs2)[C@H]2CCCO[C@H]21 ZINC000743658695 575108346 /nfs/dbraw/zinc/10/83/46/575108346.db2.gz BRXAWESJQPXNJG-YUSALJHKSA-N -1 3 281.377 2.387 20 10 CECDHM [O-]c1cccc(Cl)c1CNC[C@H](O)c1ccco1 ZINC000747098896 575166969 /nfs/dbraw/zinc/16/69/69/575166969.db2.gz DVZDBEDWQOPNJQ-LBPRGKRZSA-N -1 3 267.712 2.462 20 10 CECDHM COC[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000746709348 575163135 /nfs/dbraw/zinc/16/31/35/575163135.db2.gz IIFLTMTYMAYNNV-GFCCVEGCSA-N -1 3 291.372 2.441 20 10 CECDHM CC(C)N1CCC[C@@H](OC(=O)c2cc([O-])cs2)C1=O ZINC000748191691 575180052 /nfs/dbraw/zinc/18/00/52/575180052.db2.gz SOYLFRQGXNRNMV-SNVBAGLBSA-N -1 3 283.349 2.010 20 10 CECDHM O=C(NCC1(O)CCCCCC1)c1cc([O-])cs1 ZINC000748364803 575185053 /nfs/dbraw/zinc/18/50/53/575185053.db2.gz MACWMYLPFJFGRM-UHFFFAOYSA-N -1 3 269.366 2.269 20 10 CECDHM C[C@H](CNC(=O)c1cc([O-])cs1)c1ccncc1 ZINC000749545907 575224938 /nfs/dbraw/zinc/22/49/38/575224938.db2.gz YBZABAQQAQXCPX-SECBINFHSA-N -1 3 262.334 2.382 20 10 CECDHM Cn1ncnc1CN(Cc1ccccc1[O-])C1CCCC1 ZINC000750044048 575244757 /nfs/dbraw/zinc/24/47/57/575244757.db2.gz AOWZPFLATBHVOP-UHFFFAOYSA-N -1 3 286.379 2.466 20 10 CECDHM CC1(C)CN(C(=O)c2cc([O-])cs2)CCS1 ZINC000751418062 575288629 /nfs/dbraw/zinc/28/86/29/575288629.db2.gz UBZWIKKODYYYHD-UHFFFAOYSA-N -1 3 257.380 2.421 20 10 CECDHM Cc1ccc([O-])c(NC(=O)C2=CC(=O)CS2)n1 ZINC000753464645 575326881 /nfs/dbraw/zinc/32/68/81/575326881.db2.gz HBHSDYJRXKWENK-UHFFFAOYSA-N -1 3 250.279 2.115 20 10 CECDHM CC(C)OCCCCNC(=O)c1cc([O-])cs1 ZINC000753477004 575327193 /nfs/dbraw/zinc/32/71/93/575327193.db2.gz RVPBCACNZNUZOI-UHFFFAOYSA-N -1 3 257.355 2.389 20 10 CECDHM CCOC(=O)[C@@H](CC1CC1)NCc1cc(F)ccc1[O-] ZINC000753572861 575330642 /nfs/dbraw/zinc/33/06/42/575330642.db2.gz VENKITNEXHHKNE-CYBMUJFWSA-N -1 3 281.327 2.353 20 10 CECDHM Cc1cc(Cl)cc(C[N@H+](C)CCC(=O)[O-])c1[O-] ZINC000820976413 598182209 /nfs/dbraw/zinc/18/22/09/598182209.db2.gz DYBJQRLXUJZDQZ-UHFFFAOYSA-N -1 3 257.717 2.261 20 10 CECDHM Cc1cc(Cl)cc(C[N@@H+](C)CCC(=O)[O-])c1[O-] ZINC000820976413 598182210 /nfs/dbraw/zinc/18/22/10/598182210.db2.gz DYBJQRLXUJZDQZ-UHFFFAOYSA-N -1 3 257.717 2.261 20 10 CECDHM CCCC[C@@H](C(=O)[O-])[N@H+](C)Cc1ccccc1[O-] ZINC000829276406 601006451 /nfs/dbraw/zinc/00/64/51/601006451.db2.gz KJOXQOMYEALHMG-LBPRGKRZSA-N -1 3 251.326 2.467 20 10 CECDHM CCCC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1[O-] ZINC000829276406 601006453 /nfs/dbraw/zinc/00/64/53/601006453.db2.gz KJOXQOMYEALHMG-LBPRGKRZSA-N -1 3 251.326 2.467 20 10 CECDHM C[C@@H](C[C@H]1CCCN1C(=O)[O-])[NH2+]Cc1ccccc1[O-] ZINC000824766018 605514535 /nfs/dbraw/zinc/51/45/35/605514535.db2.gz BAEYQXYHXYLWBS-WCQYABFASA-N -1 3 278.352 2.403 20 10 CECDHM O=C(NCCc1c(F)cccc1F)c1cccc(O)c1[O-] ZINC000186968746 628263659 /nfs/dbraw/zinc/26/36/59/628263659.db2.gz AJDXOPRJXFEKOA-UHFFFAOYSA-N -1 3 293.269 2.349 20 10 CECDHM Cc1cc([O-])c(CN2CCC3(C2)OCCO3)c(Cl)c1 ZINC000840913006 628461771 /nfs/dbraw/zinc/46/17/71/628461771.db2.gz CBGHXFYTEMHYDW-UHFFFAOYSA-N -1 3 283.755 2.303 20 10 CECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc2ccccc2[nH]1 ZINC000184774624 628736196 /nfs/dbraw/zinc/73/61/96/628736196.db2.gz STLPDRHBHQPBMV-SECBINFHSA-N -1 3 297.314 2.465 20 10 CECDHM CC[C@@H](Nc1cnn(CCO)c1)c1ccc(F)cc1[O-] ZINC000796893305 630056731 /nfs/dbraw/zinc/05/67/31/630056731.db2.gz QUGRLTVWCIIRPB-CYBMUJFWSA-N -1 3 279.315 2.283 20 10 CECDHM CO[C@@H]1CN(Cc2ccc3ccccc3c2[O-])CCO1 ZINC000895962159 630415821 /nfs/dbraw/zinc/41/58/21/630415821.db2.gz HRSBVAOXDWTHKX-HNNXBMFYSA-N -1 3 273.332 2.350 20 10 CECDHM CC(C)(C)N1CC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928706597 631129223 /nfs/dbraw/zinc/12/92/23/631129223.db2.gz RKTICQNMBITIGP-GFCCVEGCSA-N -1 3 280.343 2.020 20 10 CECDHM CCOC1CC(CC(=O)NCc2c([O-])cccc2F)C1 ZINC000928708778 631130086 /nfs/dbraw/zinc/13/00/86/631130086.db2.gz TZAQKHAKYOXISF-UHFFFAOYSA-N -1 3 281.327 2.353 20 10 CECDHM COCC1(CNC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC000812370331 632519805 /nfs/dbraw/zinc/51/98/05/632519805.db2.gz GMESXVWUORZWAI-UHFFFAOYSA-N -1 3 293.363 2.425 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CNCc1cocn1 ZINC000816551858 633411032 /nfs/dbraw/zinc/41/10/32/633411032.db2.gz QTBNKZGHIOYRFD-UHFFFAOYSA-N -1 3 256.664 2.463 20 10 CECDHM CN(Cc1ccccc1O)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000816889138 633482774 /nfs/dbraw/zinc/48/27/74/633482774.db2.gz NLUAESDQABFXFY-UHFFFAOYSA-N -1 3 299.330 2.037 20 10 CECDHM O=C(Nc1ccc(OC(F)F)cn1)c1cccc(O)c1[O-] ZINC000817064039 633579787 /nfs/dbraw/zinc/57/97/87/633579787.db2.gz OTXJZWBLKGUQCD-UHFFFAOYSA-N -1 3 296.229 2.347 20 10 CECDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])nn1C(C)C ZINC000817702260 633722941 /nfs/dbraw/zinc/72/29/41/633722941.db2.gz PJXCJSYXPCJEAO-UHFFFAOYSA-N -1 3 275.308 2.436 20 10 CECDHM COC(=O)[C@H]1CCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000824547986 635447917 /nfs/dbraw/zinc/44/79/17/635447917.db2.gz HBNPCNLPIGAOKG-GFCCVEGCSA-N -1 3 283.755 2.491 20 10 CECDHM CC(C)OC(=O)[C@H](C)NCc1c([O-])cccc1Cl ZINC000825118626 635572327 /nfs/dbraw/zinc/57/23/27/635572327.db2.gz VWQOBLQLCKRZBF-VIFPVBQESA-N -1 3 271.744 2.475 20 10 CECDHM Cc1cc([O-])c(CN2CCOC[C@]23CCOC3)cc1Cl ZINC000825773526 635711105 /nfs/dbraw/zinc/71/11/05/635711105.db2.gz JEEGXSQMSFBNHD-OAHLLOKOSA-N -1 3 297.782 2.345 20 10 CECDHM CC(C)(C)NC(=S)NCc1c([O-])cccc1F ZINC000905660127 636369255 /nfs/dbraw/zinc/36/92/55/636369255.db2.gz DHRDVNHDMODOLG-UHFFFAOYSA-N -1 3 256.346 2.294 20 10 CECDHM CCCCNC(=S)NCc1c([O-])cccc1F ZINC000905662706 636370973 /nfs/dbraw/zinc/37/09/73/636370973.db2.gz YJRAHMLVFWOZSL-UHFFFAOYSA-N -1 3 256.346 2.296 20 10 CECDHM [O-]c1ccc(Cl)c(F)c1CN1CCC2(COC2)C1 ZINC000827644702 636372858 /nfs/dbraw/zinc/37/28/58/636372858.db2.gz QNCKMERRQSUAJV-UHFFFAOYSA-N -1 3 271.719 2.407 20 10 CECDHM CC1(C)C[C@H](CNC(=O)c2cccc(O)c2[O-])CCO1 ZINC000837221082 639130966 /nfs/dbraw/zinc/13/09/66/639130966.db2.gz ODQDYZBSNVVLBY-SNVBAGLBSA-N -1 3 279.336 2.033 20 10 CECDHM COc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000126276295 650513758 /nfs/dbraw/zinc/51/37/58/650513758.db2.gz DPMBVBAMBDSKIX-UHFFFAOYSA-N -1 3 273.288 2.036 20 10 CECDHM O=C(NCCc1cc(F)cc(F)c1)c1cccc(O)c1[O-] ZINC000126385871 650610314 /nfs/dbraw/zinc/61/03/14/650610314.db2.gz LDOASJGNTOTPCX-UHFFFAOYSA-N -1 3 293.269 2.349 20 10 CECDHM CO[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)C1(C)C ZINC000921375824 641259822 /nfs/dbraw/zinc/25/98/22/641259822.db2.gz CPYQWUPKQFMDCK-STQMWFEESA-N -1 3 296.342 2.144 20 10 CECDHM O=C(N[C@H](C1CC1)C1CCC1)c1cccc(O)c1[O-] ZINC000325331522 642114352 /nfs/dbraw/zinc/11/43/52/642114352.db2.gz ZQPDUBHZIVICSO-ZDUSSCGKSA-N -1 3 261.321 2.406 20 10 CECDHM CO[C@H]1CCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000921804467 642653468 /nfs/dbraw/zinc/65/34/68/642653468.db2.gz KSTMBIPJRDBUQC-YGRLFVJLSA-N -1 3 296.342 2.146 20 10 CECDHM CC[C@@H](NCc1cn(CC)nn1)c1ccc(F)cc1[O-] ZINC000850522178 642739382 /nfs/dbraw/zinc/73/93/82/642739382.db2.gz GQWSQVVJTHHIOI-CYBMUJFWSA-N -1 3 278.331 2.384 20 10 CECDHM CC1(C)OCC[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000923347606 643671528 /nfs/dbraw/zinc/67/15/28/643671528.db2.gz TULATJYWMXDTKF-JTQLQIEISA-N -1 3 296.342 2.146 20 10 CECDHM O=C([O-])[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])C1CCC1 ZINC000854245534 644022294 /nfs/dbraw/zinc/02/22/94/644022294.db2.gz BIXKPCNNCHUPKG-LBPRGKRZSA-N -1 3 267.300 2.122 20 10 CECDHM COC(=O)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000126731508 650923345 /nfs/dbraw/zinc/92/33/45/650923345.db2.gz HYFBAZVRDDUXPK-UHFFFAOYSA-N -1 3 287.271 2.137 20 10 CECDHM CCn1nncc1CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000858440272 645159361 /nfs/dbraw/zinc/15/93/61/645159361.db2.gz PENBPANJKZSNBB-QMMMGPOBSA-N -1 3 282.294 2.133 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC(Cc2cccs2)C1 ZINC000863599069 646764587 /nfs/dbraw/zinc/76/45/87/646764587.db2.gz LEZDXDBUSKHXQW-UHFFFAOYSA-N -1 3 289.356 2.474 20 10 CECDHM CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c([O-])c1 ZINC000863740562 646803098 /nfs/dbraw/zinc/80/30/98/646803098.db2.gz XREQEGMGYBCZHH-SMDDNHRTSA-N -1 3 293.363 2.334 20 10 CECDHM CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c([O-])c1 ZINC000863740562 646803103 /nfs/dbraw/zinc/80/31/03/646803103.db2.gz XREQEGMGYBCZHH-SMDDNHRTSA-N -1 3 293.363 2.334 20 10 CECDHM CCOC(=O)[C@H]1CSCCN1Cc1cc(F)ccc1[O-] ZINC000778995579 647280494 /nfs/dbraw/zinc/28/04/94/647280494.db2.gz ZIMALEMDPQGMSL-GFCCVEGCSA-N -1 3 299.367 2.012 20 10 CECDHM COc1cc(O)cc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000781023721 647491686 /nfs/dbraw/zinc/49/16/86/647491686.db2.gz DOBLOCFISNUQLP-UHFFFAOYSA-N -1 3 289.287 2.373 20 10 CECDHM CN(Cc1nc2ccccc2[nH]1)C(=O)c1cccc(O)c1[O-] ZINC000790516375 648425884 /nfs/dbraw/zinc/42/58/84/648425884.db2.gz PPMCOSQCNQANRU-UHFFFAOYSA-N -1 3 297.314 2.246 20 10 CECDHM CCc1csc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000790653203 648438603 /nfs/dbraw/zinc/43/86/03/648438603.db2.gz HROJQMTVTMCSBJ-UHFFFAOYSA-N -1 3 264.306 2.369 20 10 CECDHM O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1cccc(O)c1[O-] ZINC000790785843 648447627 /nfs/dbraw/zinc/44/76/27/648447627.db2.gz YYEGTFPKXNHGOG-JSGCOSHPSA-N -1 3 283.327 2.459 20 10 CECDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])c1ccncc1 ZINC000790863466 648456110 /nfs/dbraw/zinc/45/61/10/648456110.db2.gz BCAUGOUQAURNOI-JTQLQIEISA-N -1 3 272.304 2.026 20 10 CECDHM Cc1ncc(NC(=O)c2cccc(O)c2[O-])s1 ZINC000790903660 648459267 /nfs/dbraw/zinc/45/92/67/648459267.db2.gz KPIQDSVDEMJYJY-UHFFFAOYSA-N -1 3 250.279 2.115 20 10 CECDHM O=C(NCCC[C@H]1CCCC[C@H]1O)c1cccc(O)c1[O-] ZINC000790898094 648459408 /nfs/dbraw/zinc/45/94/08/648459408.db2.gz UTCRJTFWVIYGDX-DGCLKSJQSA-N -1 3 293.363 2.159 20 10 CECDHM COCCN(C(=O)c1cccc(O)c1[O-])[C@@H]1CC[C@@H](C)C1 ZINC000791772883 648565181 /nfs/dbraw/zinc/56/51/81/648565181.db2.gz FDSPFGCCHJIJBF-VXGBXAGGSA-N -1 3 293.363 2.375 20 10 CECDHM COC(=O)[C@@H](C)N(C)Cc1cc(Cl)ccc1[O-] ZINC000793324073 648742987 /nfs/dbraw/zinc/74/29/87/648742987.db2.gz HTDJFRLUDFXNTH-MRVPVSSYSA-N -1 3 257.717 2.039 20 10 CECDHM CCc1nnc([C@@H](C)NCc2cc(F)cc(F)c2[O-])[nH]1 ZINC000883078320 652356989 /nfs/dbraw/zinc/35/69/89/652356989.db2.gz NFRLSOGSHMAIMM-SSDOTTSWSA-N -1 3 282.294 2.202 20 10 CECDHM C[C@H]1C[C@H](NCc2cc(F)cc(F)c2[O-])c2ncnn21 ZINC000883165673 652385207 /nfs/dbraw/zinc/38/52/07/652385207.db2.gz JKMVINKPDROBHI-CPCISQLKSA-N -1 3 280.278 2.058 20 10 CECDHM CN(CC(=O)N1CCCC1)Cc1c([O-])cccc1Cl ZINC000132705182 652548148 /nfs/dbraw/zinc/54/81/48/652548148.db2.gz PADCZAFKJQZWTN-UHFFFAOYSA-N -1 3 282.771 2.100 20 10 CECDHM C[C@@H]1CC[C@H](O)CN1Cc1cc(F)c(F)cc1[O-] ZINC001142508762 806609530 /nfs/dbraw/zinc/60/95/30/806609530.db2.gz KLWSDBKWXCFTEE-SCZZXKLOSA-N -1 3 257.280 2.016 20 10 CECDHM CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)[O-] ZINC001118241612 814995903 /nfs/dbraw/zinc/99/59/03/814995903.db2.gz IIEKZMVKWIPSDN-VIFPVBQESA-N -1 3 273.716 2.007 20 10 CECDHM C[C@@H]1CCC[C@@H](C)N1NC(=O)c1cccc(O)c1[O-] ZINC000126515552 805346969 /nfs/dbraw/zinc/34/69/69/805346969.db2.gz VDUXSSSDDWVTPZ-NXEZZACHSA-N -1 3 264.325 2.006 20 10 CECDHM [O-]c1c(Br)cccc1CNCc1cocn1 ZINC000381600177 810556227 /nfs/dbraw/zinc/55/62/27/810556227.db2.gz NFEYLOBUFAPHIW-UHFFFAOYSA-N -1 3 283.125 2.433 20 10 CECDHM O=C(N[C@@H]1CCc2ccc(O)cc2C1)c1cccc(O)c1[O-] ZINC001148224622 814537595 /nfs/dbraw/zinc/53/75/95/814537595.db2.gz RAIVJMVIRJGQJC-GFCCVEGCSA-N -1 3 299.326 2.091 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC(OCc2ccccc2)C1 ZINC001148214418 814538090 /nfs/dbraw/zinc/53/80/90/814538090.db2.gz RDIOUOODGGORKO-UHFFFAOYSA-N -1 3 299.326 2.139 20 10 CECDHM O=C(NCC[C@@H]1C[C@H]1C1CC1)c1cccc(O)c1[O-] ZINC000712837824 814839241 /nfs/dbraw/zinc/83/92/41/814839241.db2.gz QDKBOMUREAJNMW-PWSUYJOCSA-N -1 3 261.321 2.264 20 10 CECDHM CCN(Cc1c([O-])cccc1Br)C1CN(C)C1 ZINC001140103690 816190629 /nfs/dbraw/zinc/19/06/29/816190629.db2.gz SCBVUPPQHZWFRJ-UHFFFAOYSA-N -1 3 299.212 2.291 20 10 CECDHM O=C(NCc1c(O)cccc1O)c1cc([O-])ccc1Cl ZINC001178910393 816813304 /nfs/dbraw/zinc/81/33/04/816813304.db2.gz DWTXBEPNEUAUJQ-UHFFFAOYSA-N -1 3 293.706 2.387 20 10 CECDHM COC(=O)[C@H](CC(C)C)NCc1cc(F)ccc1[O-] ZINC000083513812 363777329 /nfs/dbraw/zinc/77/73/29/363777329.db2.gz BMIJAMJPPRRHIC-LBPRGKRZSA-N -1 3 269.316 2.209 20 10 CECDHM Cc1n[nH]cc1CNCc1c([O-])cccc1Cl ZINC000090715355 364063131 /nfs/dbraw/zinc/06/31/31/364063131.db2.gz QWGXQRLIHBLIPD-UHFFFAOYSA-N -1 3 251.717 2.367 20 10 CECDHM CC(=O)N(C)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179877446 368354907 /nfs/dbraw/zinc/35/49/07/368354907.db2.gz XJNAMAIIRLVLOP-UHFFFAOYSA-N -1 3 296.798 2.488 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]32)c([O-])c1O ZINC000182617152 368571225 /nfs/dbraw/zinc/57/12/25/368571225.db2.gz LYLPIHOEKSFHSY-RAIGVLPGSA-N -1 3 291.347 2.094 20 10 CECDHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])C1(C)C ZINC000185716682 368848281 /nfs/dbraw/zinc/84/82/81/368848281.db2.gz GUSSLHRGMOMTSE-QWHCGFSZSA-N -1 3 293.363 2.373 20 10 CECDHM CCOCCC1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000187194844 369120178 /nfs/dbraw/zinc/12/01/78/369120178.db2.gz XESOTZOANOJIGI-UHFFFAOYSA-N -1 3 293.363 2.425 20 10 CECDHM CC(=O)c1cc(F)cc(CN(CC(C)(C)O)C2CC2)c1[O-] ZINC000189961189 369583494 /nfs/dbraw/zinc/58/34/94/369583494.db2.gz MVGVZYCTNQUZLU-UHFFFAOYSA-N -1 3 295.354 2.469 20 10 CECDHM C[C@@](O)(CNC(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC000190469124 369626437 /nfs/dbraw/zinc/62/64/37/369626437.db2.gz LEPVKDJBILRYPW-MRXNPFEDSA-N -1 3 293.363 2.159 20 10 CECDHM C[C@H](NCc1cnn(C)c1)c1ccc(F)c(F)c1[O-] ZINC000191215716 369690881 /nfs/dbraw/zinc/69/08/81/369690881.db2.gz LGBCUAJWWZPKDL-QMMMGPOBSA-N -1 3 267.279 2.255 20 10 CECDHM C[C@@H](NCc1cnn(C)c1)c1ccc(F)c(F)c1[O-] ZINC000191215728 369691145 /nfs/dbraw/zinc/69/11/45/369691145.db2.gz LGBCUAJWWZPKDL-MRVPVSSYSA-N -1 3 267.279 2.255 20 10 CECDHM O=C(Nc1cccc(-c2ncon2)c1)c1cccc(O)c1[O-] ZINC000193000681 369881840 /nfs/dbraw/zinc/88/18/40/369881840.db2.gz AZIHKEVTRJPOKT-UHFFFAOYSA-N -1 3 297.270 2.400 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H]2[C@@H](C(F)(F)F)[C@H]21 ZINC000365708034 372917361 /nfs/dbraw/zinc/91/73/61/372917361.db2.gz UYELJQMGKLPWOK-QUNWWBBNSA-N -1 3 287.237 2.121 20 10 CECDHM CCCNC(=O)CN(CCC)Cc1cc(F)ccc1[O-] ZINC000272320837 373428492 /nfs/dbraw/zinc/42/84/92/373428492.db2.gz UHBMEJNVMWGYHI-UHFFFAOYSA-N -1 3 282.359 2.270 20 10 CECDHM [O-]c1c(F)cccc1CN1CCN(Cc2ccco2)CC1 ZINC000272346185 373441450 /nfs/dbraw/zinc/44/14/50/373441450.db2.gz ZPFSGYUUDMLOMJ-UHFFFAOYSA-N -1 3 290.338 2.442 20 10 CECDHM CCO[C@@H]1C[C@H](NCc2c([O-])cccc2Cl)[C@H]1OC ZINC000273813027 373772262 /nfs/dbraw/zinc/77/22/62/373772262.db2.gz WXHMOZLARJAACE-IACUBPJLSA-N -1 3 285.771 2.328 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](C3CC3)C2)c1[O-] ZINC000375340971 374652434 /nfs/dbraw/zinc/65/24/34/374652434.db2.gz LFBYVEZLHLOTEC-HNNXBMFYSA-N -1 3 293.338 2.345 20 10 CECDHM Cc1cc(Cl)cc(CN2CC(=O)N(C)[C@@H](C)C2)c1[O-] ZINC000282861561 375597492 /nfs/dbraw/zinc/59/74/92/375597492.db2.gz XHGYKMOKJUJJCT-JTQLQIEISA-N -1 3 282.771 2.017 20 10 CECDHM CCOCC(C)(C)CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000293699046 377709596 /nfs/dbraw/zinc/70/95/96/377709596.db2.gz OHQRQWOVBLLKPF-UHFFFAOYSA-N -1 3 281.352 2.199 20 10 CECDHM O=C(N[C@@H]1CCN(Cc2cccc(F)c2[O-])C1)C1CCC1 ZINC000360673758 394805824 /nfs/dbraw/zinc/80/58/24/394805824.db2.gz RRLNHMOPRXEVCF-CYBMUJFWSA-N -1 3 292.354 2.022 20 10 CECDHM Cc1cc(Br)cc(CN2CC[C@@H](O)C2)c1[O-] ZINC000132487979 394931673 /nfs/dbraw/zinc/93/16/73/394931673.db2.gz VQMBDDVXDIFWDC-LLVKDONJSA-N -1 3 286.169 2.030 20 10 CECDHM CC(C)NC(=O)CN(C)Cc1c([O-])cccc1Cl ZINC000133384592 394950135 /nfs/dbraw/zinc/95/01/35/394950135.db2.gz ACFHZMLSMXYTOC-UHFFFAOYSA-N -1 3 270.760 2.002 20 10 CECDHM Cc1ccc(C(=O)N2CCC[C@H]2c2ncc[nH]2)c([O-])c1O ZINC000373311382 395058408 /nfs/dbraw/zinc/05/84/08/395058408.db2.gz PZAQWKLVDAOFME-NSHDSACASA-N -1 3 287.319 2.107 20 10 CECDHM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(Cl)ccc1[O-] ZINC000373739232 395065085 /nfs/dbraw/zinc/06/50/85/395065085.db2.gz VOHJHMFYEHLAQR-WFBYXXMGSA-N -1 3 294.782 2.131 20 10 CECDHM Cc1cc(Cl)cc(CN2C[C@@H](F)C[C@H]2CO)c1[O-] ZINC000372649859 395044373 /nfs/dbraw/zinc/04/43/73/395044373.db2.gz NUFLNSWVRFCDOQ-RYUDHWBXSA-N -1 3 273.735 2.259 20 10 CECDHM O=C(N[C@@H]1C[C@@H](CO)c2ccccc21)c1cccc(O)c1[O-] ZINC000372697701 395045129 /nfs/dbraw/zinc/04/51/29/395045129.db2.gz VCIJPDWQNMEANP-IINYFYTJSA-N -1 3 299.326 2.049 20 10 CECDHM CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H](C)CO ZINC000293405655 395232741 /nfs/dbraw/zinc/23/27/41/395232741.db2.gz MATFRZAPIJUELA-VIFPVBQESA-N -1 3 285.771 2.451 20 10 CECDHM CCCCCN1CC(=O)N[C@@H]1c1cc(OCC)ccc1[O-] ZINC000182323020 395238801 /nfs/dbraw/zinc/23/88/01/395238801.db2.gz LNLUTMHXDQKWLT-INIZCTEOSA-N -1 3 292.379 2.412 20 10 CECDHM Cc1ccc(C(=O)NC[C@]2(C)CCCC[C@H]2O)c([O-])c1O ZINC000179535781 395195188 /nfs/dbraw/zinc/19/51/88/395195188.db2.gz XAMGGNAJOYEBEW-WBMJQRKESA-N -1 3 293.363 2.077 20 10 CECDHM Cc1ccc(C(=O)N(C)C[C@H]2CCCC[C@H]2O)c([O-])c1O ZINC000183004970 395250968 /nfs/dbraw/zinc/25/09/68/395250968.db2.gz XCZYSHINIRNKFF-DGCLKSJQSA-N -1 3 293.363 2.029 20 10 CECDHM COC1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000037323362 260088153 /nfs/dbraw/zinc/08/81/53/260088153.db2.gz UGUYCYMMNWYSQT-UHFFFAOYSA-N -1 3 281.327 2.345 20 10 CECDHM CCCOc1ccc(CN2CCOCC2)c([O-])c1 ZINC000154520981 261093140 /nfs/dbraw/zinc/09/31/40/261093140.db2.gz XCGNNSLEFVFMPK-UHFFFAOYSA-N -1 3 251.326 2.013 20 10 CECDHM COc1ccc2c(c1)CCN2C(=O)/C=C/c1cncc([O-])c1 ZINC000181940500 261768244 /nfs/dbraw/zinc/76/82/44/261768244.db2.gz BQPQZAKESASBQQ-GORDUTHDSA-N -1 3 296.326 2.398 20 10 CECDHM COc1cc(Cl)cc(CN2CCC(O)CC2)c1[O-] ZINC000184674780 262026037 /nfs/dbraw/zinc/02/60/37/262026037.db2.gz BNTXVAGBEVPKCI-UHFFFAOYSA-N -1 3 271.744 2.011 20 10 CECDHM CN1CCc2cc(CNC(=O)c3ccc(O)cc3[O-])ccc21 ZINC000376937781 268031611 /nfs/dbraw/zinc/03/16/11/268031611.db2.gz RGWGVAAVPMYAGC-UHFFFAOYSA-N -1 3 298.342 2.020 20 10 CECDHM CC[C@@H](c1ccccc1[O-])N1CCOC[C@@H]1CC(=O)OC ZINC000377870265 329032551 /nfs/dbraw/zinc/03/25/51/329032551.db2.gz TYZUZSNTAKEOMM-JSGCOSHPSA-N -1 3 293.363 2.107 20 10 CECDHM O=C(/C=C\c1cncc([O-])c1)N1CCCc2cccc(O)c21 ZINC000492468712 332398954 /nfs/dbraw/zinc/39/89/54/332398954.db2.gz BGOUGSJXQRBCTQ-SREVYHEPSA-N -1 3 296.326 2.485 20 10 CECDHM O=C(/C=C\c1cncc(O)c1)N1CCCc2cccc([O-])c21 ZINC000492468712 332398955 /nfs/dbraw/zinc/39/89/55/332398955.db2.gz BGOUGSJXQRBCTQ-SREVYHEPSA-N -1 3 296.326 2.485 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCO[C@H]3CCC[C@H]32)c1[O-] ZINC000227156256 333277478 /nfs/dbraw/zinc/27/74/78/333277478.db2.gz HEHKYMDNPCEWQI-CABCVRRESA-N -1 3 293.338 2.487 20 10 CECDHM Cc1ccc([C@H](C)N[C@@H](C)c2ncn(C)n2)c([O-])c1 ZINC000275745781 334794607 /nfs/dbraw/zinc/79/46/07/334794607.db2.gz REHAIFVPOQNDRA-QWRGUYRKSA-N -1 3 260.341 2.241 20 10 CECDHM CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc(F)cc1[O-] ZINC000188476462 520215643 /nfs/dbraw/zinc/21/56/43/520215643.db2.gz YESBITJUGQZRDO-ZJUUUORDSA-N -1 3 268.332 2.049 20 10 CECDHM CC(C)N1CC[C@H](N[C@H](C)c2ccc(F)c(F)c2[O-])C1=O ZINC000187784431 519690236 /nfs/dbraw/zinc/69/02/36/519690236.db2.gz VREDKPUJCTVFGL-SKDRFNHKSA-N -1 3 298.333 2.330 20 10 CECDHM CCCCN1CC(=O)N[C@@H]1c1ccc(OCCC)cc1[O-] ZINC000298795592 520567492 /nfs/dbraw/zinc/56/74/92/520567492.db2.gz SRMYJZZJOYCPMC-INIZCTEOSA-N -1 3 292.379 2.412 20 10 CECDHM COc1c([O-])c(CN2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000278314660 521869320 /nfs/dbraw/zinc/86/93/20/521869320.db2.gz XHKJBWYNRNLDJY-UHFFFAOYSA-N -1 3 278.308 2.461 20 10 CECDHM COc1cc(Cl)cc(CN2CCO[C@H]3C[C@H]32)c1[O-] ZINC000366563126 522538544 /nfs/dbraw/zinc/53/85/44/522538544.db2.gz XHSHXXSBITUYPK-MNOVXSKESA-N -1 3 269.728 2.027 20 10 CECDHM C[C@H]1C[C@H](CCNC(=O)c2cccc(O)c2[O-])CCO1 ZINC000280461394 524895057 /nfs/dbraw/zinc/89/50/57/524895057.db2.gz MHNJWRMQMJXUIN-WDEREUQCSA-N -1 3 279.336 2.033 20 10 CECDHM Cc1ccc(C(=O)N(C(C)C)[C@@H]2CCOC2)c([O-])c1O ZINC000292825989 526054670 /nfs/dbraw/zinc/05/46/70/526054670.db2.gz MIZIOHQQXVZHPC-LLVKDONJSA-N -1 3 279.336 2.046 20 10 CECDHM O=C(OCc1cn2ccccc2n1)c1cc([O-])cs1 ZINC000731910194 574605660 /nfs/dbraw/zinc/60/56/60/574605660.db2.gz OEBLZXIROHSBKX-UHFFFAOYSA-N -1 3 274.301 2.458 20 10 CECDHM CCCCC[C@@H](NC(=O)c1cc([O-])cs1)C(=O)OC ZINC000752820180 575315472 /nfs/dbraw/zinc/31/54/72/575315472.db2.gz VINLAMAUJAZLSS-SNVBAGLBSA-N -1 3 285.365 2.305 20 10 CECDHM Cc1nc(CNC(=O)c2cc([O-])cs2)ccc1[C@H](C)O ZINC000753432993 575326341 /nfs/dbraw/zinc/32/63/41/575326341.db2.gz HLXZKXHHPOXDHZ-VIFPVBQESA-N -1 3 292.360 2.140 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC([C@H]2CCOC2)CC1 ZINC000753488979 575327566 /nfs/dbraw/zinc/32/75/66/575327566.db2.gz VNAKMZWBJDKHBI-NSHDSACASA-N -1 3 281.377 2.342 20 10 CECDHM CCOc1ccc(C[NH2+][C@H](CC(C)C)C(=O)[O-])c([O-])c1 ZINC000818239958 598208875 /nfs/dbraw/zinc/20/88/75/598208875.db2.gz BYVWHLRUJYODNP-CYBMUJFWSA-N -1 3 281.352 2.380 20 10 CECDHM C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000833815500 605581750 /nfs/dbraw/zinc/58/17/50/605581750.db2.gz VUAALGPKMPZBNJ-MNOVXSKESA-N -1 3 296.342 2.399 20 10 CECDHM C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000833815500 605581755 /nfs/dbraw/zinc/58/17/55/605581755.db2.gz VUAALGPKMPZBNJ-MNOVXSKESA-N -1 3 296.342 2.399 20 10 CECDHM O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[O-] ZINC000834096042 606062670 /nfs/dbraw/zinc/06/26/70/606062670.db2.gz RQSDCYFTKPKPJA-OLZOCXBDSA-N -1 3 276.336 2.109 20 10 CECDHM O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[O-] ZINC000834096042 606062675 /nfs/dbraw/zinc/06/26/75/606062675.db2.gz RQSDCYFTKPKPJA-OLZOCXBDSA-N -1 3 276.336 2.109 20 10 CECDHM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1O ZINC000779199527 623398055 /nfs/dbraw/zinc/39/80/55/623398055.db2.gz CZLGFXCKJHLAOM-QPUJVOFHSA-N -1 3 273.735 2.387 20 10 CECDHM CC(=O)NCCN(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000308294663 623657582 /nfs/dbraw/zinc/65/75/82/623657582.db2.gz JJZFIXYLSDEAQF-UHFFFAOYSA-N -1 3 291.178 2.267 20 10 CECDHM Cc1ccc(C(=O)Nc2nccs2)c([O-])c1O ZINC000177659539 625801281 /nfs/dbraw/zinc/80/12/81/625801281.db2.gz GFPOVUKCXANFDT-UHFFFAOYSA-N -1 3 250.279 2.115 20 10 CECDHM CON(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000193157406 628467457 /nfs/dbraw/zinc/46/74/57/628467457.db2.gz SXCVEOMIXROCPP-UHFFFAOYSA-N -1 3 273.288 2.302 20 10 CECDHM Cc1cc([O-])c(CNCc2nc(N(C)C)no2)c(Cl)c1 ZINC000840937064 628754811 /nfs/dbraw/zinc/75/48/11/628754811.db2.gz GESZRAJDJDBPLJ-UHFFFAOYSA-N -1 3 296.758 2.093 20 10 CECDHM [O-]c1cccc(F)c1CNc1c2c(nc3ncnn31)CCC2 ZINC000895833131 630370270 /nfs/dbraw/zinc/37/02/70/630370270.db2.gz UFCNNLUVWKGQTC-UHFFFAOYSA-N -1 3 299.309 2.070 20 10 CECDHM CN(C)Cc1cnc(CNCc2c([O-])cccc2F)s1 ZINC000896638055 630621563 /nfs/dbraw/zinc/62/15/63/630621563.db2.gz OEIHBTZNDHPUJK-UHFFFAOYSA-N -1 3 295.383 2.339 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@@H](O)[C@H](F)C2)c(Cl)c1 ZINC000898187915 632101419 /nfs/dbraw/zinc/10/14/19/632101419.db2.gz JGYUBWLXTUJALV-VXGBXAGGSA-N -1 3 273.735 2.259 20 10 CECDHM Cc1cc([O-])c(CN2CC(=O)N(C)[C@H](C)C2)cc1Cl ZINC000825779325 635712230 /nfs/dbraw/zinc/71/22/30/635712230.db2.gz JKDNTMZDVHRRQB-SNVBAGLBSA-N -1 3 282.771 2.017 20 10 CECDHM CC[C@H]1C(=O)NCCCN1Cc1cc(Cl)ccc1[O-] ZINC000898558246 632537745 /nfs/dbraw/zinc/53/77/45/632537745.db2.gz PIBUCFILIBMYDU-LBPRGKRZSA-N -1 3 282.771 2.146 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H](n2cncn2)C1 ZINC000816574451 633415554 /nfs/dbraw/zinc/41/55/54/633415554.db2.gz ICMKLEVMFKYMCG-SNVBAGLBSA-N -1 3 296.733 2.223 20 10 CECDHM Cc1ccc(C(=O)N2C[C@H](CO)c3ccccc32)c([O-])c1O ZINC000817796480 633742502 /nfs/dbraw/zinc/74/25/02/633742502.db2.gz MVCNPJVNKFNINQ-LLVKDONJSA-N -1 3 299.326 2.143 20 10 CECDHM CCC(CC)(C[NH2+]Cc1ccccc1[O-])C(=O)[O-] ZINC000818631295 633966226 /nfs/dbraw/zinc/96/62/26/633966226.db2.gz FIYPYWJEEOXCAU-UHFFFAOYSA-N -1 3 251.326 2.373 20 10 CECDHM C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631661 633967959 /nfs/dbraw/zinc/96/79/59/633967959.db2.gz MHQDYYGGBCFASS-ZANVPECISA-N -1 3 267.300 2.216 20 10 CECDHM C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000818631661 633967965 /nfs/dbraw/zinc/96/79/65/633967965.db2.gz MHQDYYGGBCFASS-ZANVPECISA-N -1 3 267.300 2.216 20 10 CECDHM C[C@@H]1[C@H](O)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000825104036 635570368 /nfs/dbraw/zinc/57/03/68/635570368.db2.gz LBTNIOLBFQVRNM-RDDDGLTNSA-N -1 3 259.708 2.140 20 10 CECDHM O=C(C[C@H]1CC[C@H](C2CC2)O1)NCc1c([O-])cccc1F ZINC000830180081 637001029 /nfs/dbraw/zinc/00/10/29/637001029.db2.gz GZCBMIQHLKFUGG-IAQYHMDHSA-N -1 3 293.338 2.495 20 10 CECDHM CCCN(CC(N)=O)Cc1c([O-])cc(C)cc1Cl ZINC000840950501 639598576 /nfs/dbraw/zinc/59/85/76/639598576.db2.gz OGFGUUMPKHXDFX-UHFFFAOYSA-N -1 3 270.760 2.051 20 10 CECDHM COCc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000126311439 650542188 /nfs/dbraw/zinc/54/21/88/650542188.db2.gz WVPLQRXYRWZUHW-UHFFFAOYSA-N -1 3 273.288 2.497 20 10 CECDHM Cc1cccc(OCCNC(=O)c2cccc(O)c2[O-])c1 ZINC000126347469 650575415 /nfs/dbraw/zinc/57/54/15/650575415.db2.gz LWLUEHFOQPJEBP-UHFFFAOYSA-N -1 3 287.315 2.215 20 10 CECDHM CO[C@@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)C1(C)C ZINC000921375821 641260001 /nfs/dbraw/zinc/26/00/01/641260001.db2.gz CPYQWUPKQFMDCK-CHWSQXEVSA-N -1 3 296.342 2.144 20 10 CECDHM O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1cccc(O)c1[O-] ZINC000848268067 641941995 /nfs/dbraw/zinc/94/19/95/641941995.db2.gz YPNHWDBSOOVLMY-UONOGXRCSA-N -1 3 291.347 2.175 20 10 CECDHM CCOCC(C)(C)CNC(=O)NCc1c([O-])cccc1F ZINC000922507243 643097074 /nfs/dbraw/zinc/09/70/74/643097074.db2.gz CCZIXZQFCJDAGO-UHFFFAOYSA-N -1 3 298.358 2.393 20 10 CECDHM COC1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000922841377 643289193 /nfs/dbraw/zinc/28/91/93/643289193.db2.gz BCGGIAMAJRRZPW-UHFFFAOYSA-N -1 3 296.342 2.288 20 10 CECDHM Cc1ccc(O)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000186998138 643384753 /nfs/dbraw/zinc/38/47/53/643384753.db2.gz IDCOUIODQCJDHX-UHFFFAOYSA-N -1 3 259.261 2.364 20 10 CECDHM C[C@@H](NCc1ccnc(N(C)C)n1)c1ccc(F)cc1[O-] ZINC000756788270 644692260 /nfs/dbraw/zinc/69/22/60/644692260.db2.gz CELDURWKRWSRBJ-SNVBAGLBSA-N -1 3 290.342 2.238 20 10 CECDHM Cc1nonc1CNCc1c([O-])cccc1Br ZINC000862367615 646417659 /nfs/dbraw/zinc/41/76/59/646417659.db2.gz PEYCPPXJOYZQHY-UHFFFAOYSA-N -1 3 298.140 2.136 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CC2(C1)CCCO2 ZINC000862484541 646476028 /nfs/dbraw/zinc/47/60/28/646476028.db2.gz UCBMNXZIUREHCE-UHFFFAOYSA-N -1 3 253.729 2.410 20 10 CECDHM COC[C@]1(C)CN(Cc2cc(Cl)ccc2[O-])CCO1 ZINC000862551755 646496501 /nfs/dbraw/zinc/49/65/01/646496501.db2.gz PELUDTXMFJBPHP-AWEZNQCLSA-N -1 3 285.771 2.283 20 10 CECDHM CC(C)N1C(=O)CN(Cc2cc(F)ccc2[O-])CC1(C)C ZINC000779019906 647282289 /nfs/dbraw/zinc/28/22/89/647282289.db2.gz NZRWXSDGRPPBMG-UHFFFAOYSA-N -1 3 294.370 2.363 20 10 CECDHM CC(C)N1CCN(Cc2cc(Cl)ccc2[O-])CC1=O ZINC000780792082 647472170 /nfs/dbraw/zinc/47/21/70/647472170.db2.gz FWXRBZGSVAOAMJ-UHFFFAOYSA-N -1 3 282.771 2.098 20 10 CECDHM Cc1ccc(C(=O)Nc2cc(CO)ccc2C)c([O-])c1O ZINC000780985668 647488325 /nfs/dbraw/zinc/48/83/25/647488325.db2.gz ULHDQCNRACGSKZ-UHFFFAOYSA-N -1 3 287.315 2.459 20 10 CECDHM O=C(Nc1nc2cc(F)ccc2[nH]1)c1cccc(O)c1[O-] ZINC000787684149 648128030 /nfs/dbraw/zinc/12/80/30/648128030.db2.gz IARYPKMGSDNVLT-UHFFFAOYSA-N -1 3 287.250 2.366 20 10 CECDHM C[C@@H](COc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000790554662 648430153 /nfs/dbraw/zinc/43/01/53/648430153.db2.gz KCXFDSGGTUTHJG-NSHDSACASA-N -1 3 287.315 2.295 20 10 CECDHM CC(C)c1cc(CNC(=O)c2cccc(O)c2[O-])on1 ZINC000790718263 648442177 /nfs/dbraw/zinc/44/21/77/648442177.db2.gz QJFIIKIOISZPQG-UHFFFAOYSA-N -1 3 276.292 2.139 20 10 CECDHM O=C(Nc1nc(C(F)(F)F)c[nH]1)c1cccc(O)c1[O-] ZINC000790895818 648459291 /nfs/dbraw/zinc/45/92/91/648459291.db2.gz MLWCWZQYOCBCMN-UHFFFAOYSA-N -1 3 287.197 2.092 20 10 CECDHM C[C@H]1CN(Cc2c([O-])cc(F)cc2F)CC[C@]1(C)O ZINC001140582366 803177680 /nfs/dbraw/zinc/17/76/80/803177680.db2.gz HBWWBBJBUDHFDN-XPTSAGLGSA-N -1 3 271.307 2.263 20 10 CECDHM C[C@@H](NCc1ccc(F)c(F)c1[O-])C(=O)NC(C)(C)C ZINC000700764955 809352134 /nfs/dbraw/zinc/35/21/34/809352134.db2.gz NNTJXQLQILJXKK-MRVPVSSYSA-N -1 3 286.322 2.063 20 10 CECDHM [O-]c1cc(Br)ccc1CN1CCCOCC1 ZINC000700863478 809364839 /nfs/dbraw/zinc/36/48/39/809364839.db2.gz SDNNREHKZUIUDI-UHFFFAOYSA-N -1 3 286.169 2.377 20 10 CECDHM CCn1cc(CNCc2cc(F)cc(F)c2[O-])cn1 ZINC000708535858 809945113 /nfs/dbraw/zinc/94/51/13/809945113.db2.gz RDQRMPOYYSPVRG-UHFFFAOYSA-N -1 3 267.279 2.177 20 10 CECDHM CC(C)(C)OCCCNC(=O)c1cccc(O)c1[O-] ZINC000709853242 809973012 /nfs/dbraw/zinc/97/30/12/809973012.db2.gz ITCJWIYPUIMNGF-UHFFFAOYSA-N -1 3 267.325 2.033 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](O)C[C@H]2C)c1[O-] ZINC000384957721 813125586 /nfs/dbraw/zinc/12/55/86/813125586.db2.gz RCWKPYKVBCRYOH-PRHODGIISA-N -1 3 283.755 2.203 20 10 CECDHM CC(C)(C)c1nnc(NC(=O)c2cccc(O)c2[O-])o1 ZINC001148212906 814536299 /nfs/dbraw/zinc/53/62/99/814536299.db2.gz NNXWMXQLLPPZSH-UHFFFAOYSA-N -1 3 277.280 2.031 20 10 CECDHM O=C(NCc1cc(F)cnc1Cl)c1cccc(O)c1[O-] ZINC001148224309 814538164 /nfs/dbraw/zinc/53/81/64/814538164.db2.gz HDWBSTWXUJLUEB-UHFFFAOYSA-N -1 3 296.685 2.215 20 10 CECDHM C[C@@H]1CCCN(Cc2c([O-])c(F)ccc2F)[C@H]1CO ZINC001139683446 814730967 /nfs/dbraw/zinc/73/09/67/814730967.db2.gz CYUIYRBIQSIBIR-RNCFNFMXSA-N -1 3 271.307 2.263 20 10 CECDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@H]1c1ccncc1 ZINC001124033232 815589500 /nfs/dbraw/zinc/58/95/00/815589500.db2.gz QFQCUDQUZANCMG-NWDGAFQWSA-N -1 3 286.306 2.346 20 10 CECDHM Cc1cccc(O)c1NC(=O)c1cccc(O)c1[O-] ZINC001137774676 815682420 /nfs/dbraw/zinc/68/24/20/815682420.db2.gz FEUUBVMBRWDHAM-UHFFFAOYSA-N -1 3 259.261 2.364 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CCC2(CC1)OCCO2 ZINC001139681268 816079067 /nfs/dbraw/zinc/07/90/67/816079067.db2.gz NUXKVMYKMGPEAX-UHFFFAOYSA-N -1 3 285.290 2.009 20 10 CECDHM [O-]c1c(F)ccc(F)c1CN1CCCC[C@H]1CO ZINC001139685695 816081240 /nfs/dbraw/zinc/08/12/40/816081240.db2.gz TXAIEYNPYLODBO-VIFPVBQESA-N -1 3 257.280 2.017 20 10 CECDHM CO[C@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685493 816081511 /nfs/dbraw/zinc/08/15/11/816081511.db2.gz LOQIESGEPYZHPH-VIFPVBQESA-N -1 3 257.280 2.281 20 10 CECDHM C[C@@H]1CN(Cc2c(F)ccc(F)c2[O-])C[C@H](C)N1C ZINC001139686358 816083718 /nfs/dbraw/zinc/08/37/18/816083718.db2.gz VVSXNGFUJYIIGX-AOOOYVTPSA-N -1 3 270.323 2.195 20 10 CECDHM COC(=O)[C@H](C)N(C)Cc1ccc(Cl)cc1[O-] ZINC001140465231 816259722 /nfs/dbraw/zinc/25/97/22/816259722.db2.gz IZUPWQOXYSULQG-QMMMGPOBSA-N -1 3 257.717 2.039 20 10 CECDHM CC(C)N1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140579840 816289211 /nfs/dbraw/zinc/28/92/11/816289211.db2.gz IZCHBYQNVUGGNT-UHFFFAOYSA-N -1 3 270.323 2.196 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CCCC2(COC2)C1 ZINC001142512520 816676879 /nfs/dbraw/zinc/67/68/79/816676879.db2.gz CACKERBWMDULKX-UHFFFAOYSA-N -1 3 269.291 2.283 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H](n2cncn2)C1 ZINC001142524806 816681357 /nfs/dbraw/zinc/68/13/57/816681357.db2.gz LJWLKKVNKPDLOC-LLVKDONJSA-N -1 3 294.305 2.099 20 10 CECDHM O=C1CN(Cc2c([O-])cccc2Cl)[C@H]2CCCC[C@@H]2N1 ZINC000123603349 365639933 /nfs/dbraw/zinc/63/99/33/365639933.db2.gz YJKLWJILSXKQAQ-STQMWFEESA-N -1 3 294.782 2.289 20 10 CECDHM COC(=O)[C@H](CC(C)C)NCc1ccccc1[O-] ZINC000036980433 361878598 /nfs/dbraw/zinc/87/85/98/361878598.db2.gz FHNMRIPJJUJRBT-LBPRGKRZSA-N -1 3 251.326 2.070 20 10 CECDHM CCOC(=O)[C@@H](NCc1ccccc1[O-])[C@@H](C)CC ZINC000187863462 369239819 /nfs/dbraw/zinc/23/98/19/369239819.db2.gz DEDJBZWAOAFMOE-FZMZJTMJSA-N -1 3 265.353 2.460 20 10 CECDHM O=C(NCCSC(F)(F)F)c1cccc(O)c1[O-] ZINC000189876894 369575764 /nfs/dbraw/zinc/57/57/64/369575764.db2.gz LRYUBKAZOKKPLB-UHFFFAOYSA-N -1 3 281.255 2.081 20 10 CECDHM C[C@H](NCc1ccnn1C)c1ccc(F)c(F)c1[O-] ZINC000191200212 369689370 /nfs/dbraw/zinc/68/93/70/369689370.db2.gz QIHNNKNANPNAHA-QMMMGPOBSA-N -1 3 267.279 2.255 20 10 CECDHM CC(=O)c1cc(F)cc(CN2[C@@H](C)CC(O)C[C@@H]2C)c1[O-] ZINC000191281799 369698067 /nfs/dbraw/zinc/69/80/67/369698067.db2.gz PDBJBAVLCVKFJN-UWVGGRQHSA-N -1 3 295.354 2.468 20 10 CECDHM Cc1ccc(C(=O)N2CCSC[C@@H](C)C2)c([O-])c1O ZINC000191569277 369723421 /nfs/dbraw/zinc/72/34/21/369723421.db2.gz QVMKCMDURQPQRH-VIFPVBQESA-N -1 3 281.377 2.231 20 10 CECDHM C[C@H](C(=O)N1CCCCC1)N(C)Cc1ccccc1[O-] ZINC000269673307 372526573 /nfs/dbraw/zinc/52/65/73/372526573.db2.gz XZUQICANMDLDJA-CYBMUJFWSA-N -1 3 276.380 2.225 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](Oc2ccccc2)C1 ZINC000366152677 372993049 /nfs/dbraw/zinc/99/30/49/372993049.db2.gz SFLVFFHVVYSCGA-ZDUSSCGKSA-N -1 3 299.326 2.391 20 10 CECDHM CSCCCN(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000281464640 375381051 /nfs/dbraw/zinc/38/10/51/375381051.db2.gz FYMQBZMEHHKFLO-UHFFFAOYSA-N -1 3 269.366 2.231 20 10 CECDHM COCCOCCN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000294057173 377889310 /nfs/dbraw/zinc/88/93/10/377889310.db2.gz XMDOGYAMJIBVPN-UHFFFAOYSA-N -1 3 291.750 2.280 20 10 CECDHM CCOC1(CNC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000294206952 377939697 /nfs/dbraw/zinc/93/96/97/377939697.db2.gz QJXKUGTZWQIIFU-UHFFFAOYSA-N -1 3 279.336 2.177 20 10 CECDHM [O-]c1ccc(Br)cc1CN1C[C@@H](O)C2(CC2)C1 ZINC000372369566 395040632 /nfs/dbraw/zinc/04/06/32/395040632.db2.gz UXBVKRDKPRRPGQ-GFCCVEGCSA-N -1 3 298.180 2.111 20 10 CECDHM Cc1ccc(C(=O)N(C)C[C@H]2CCCC[C@@H]2O)c([O-])c1O ZINC000183004937 395251291 /nfs/dbraw/zinc/25/12/91/395251291.db2.gz XCZYSHINIRNKFF-YPMHNXCESA-N -1 3 293.363 2.029 20 10 CECDHM CC[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@H](C)[S@]1=O ZINC000289678369 287200376 /nfs/dbraw/zinc/20/03/76/287200376.db2.gz NVPUNPQTVMJWEV-VARDARPISA-N -1 3 285.384 2.263 20 10 CECDHM CCCOc1ccc(CN2CCCC[C@@H]2C(N)=O)c([O-])c1 ZINC000162072749 261268357 /nfs/dbraw/zinc/26/83/57/261268357.db2.gz JLSFLCPDQKRGOO-CQSZACIVSA-N -1 3 292.379 2.021 20 10 CECDHM CC[C@H](CSC)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182989083 261958874 /nfs/dbraw/zinc/95/88/74/261958874.db2.gz QOEDSFFYGPJGMA-SECBINFHSA-N -1 3 269.366 2.278 20 10 CECDHM CC(C)NC(=O)CN[C@H](C)c1cc(Cl)ccc1[O-] ZINC000184895980 262032709 /nfs/dbraw/zinc/03/27/09/262032709.db2.gz SARQKSUMVLJXGC-SECBINFHSA-N -1 3 270.760 2.221 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1cccnc1 ZINC000365559832 262370817 /nfs/dbraw/zinc/37/08/17/262370817.db2.gz KIWYCEXORSLUQT-CYBMUJFWSA-N -1 3 284.315 2.470 20 10 CECDHM CC(C)C[C@H]1OCCC[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC000280408293 263061190 /nfs/dbraw/zinc/06/11/90/263061190.db2.gz HQDXGCHUOTUOAI-TZMCWYRMSA-N -1 3 293.363 2.421 20 10 CECDHM CCSCC[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126566252 264216049 /nfs/dbraw/zinc/21/60/49/264216049.db2.gz MIGFOMYVNOFINC-VIFPVBQESA-N -1 3 269.366 2.359 20 10 CECDHM CCCOc1ccc(CN(C)[C@@H](C)C(=O)OC)c([O-])c1 ZINC000280748203 328236447 /nfs/dbraw/zinc/23/64/47/328236447.db2.gz DPOCVMUBOCGEFX-NSHDSACASA-N -1 3 281.352 2.174 20 10 CECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@](C)(O)C2)c1[O-] ZINC000177371189 329183533 /nfs/dbraw/zinc/18/35/33/329183533.db2.gz SQFQIBHCRJEUSL-AWEZNQCLSA-N -1 3 283.755 2.205 20 10 CECDHM CC(=O)c1cc(F)cc(CN(C)Cc2cnccn2)c1[O-] ZINC000079438606 518284065 /nfs/dbraw/zinc/28/40/65/518284065.db2.gz KZEMYLVKONWKGK-UHFFFAOYSA-N -1 3 289.310 2.156 20 10 CECDHM CC1(C)CN(Cc2cccc(Cl)c2[O-])C[C@@H]1O ZINC000280379347 520482869 /nfs/dbraw/zinc/48/28/69/520482869.db2.gz FFGFTUMHNLVSEJ-NSHDSACASA-N -1 3 255.745 2.248 20 10 CECDHM CCOc1nnc(CN(C)Cc2ccccc2[O-])s1 ZINC000264575380 521627159 /nfs/dbraw/zinc/62/71/59/521627159.db2.gz ANNMKWPGXGLTHN-UHFFFAOYSA-N -1 3 279.365 2.274 20 10 CECDHM COCc1nc(CNCc2cc(F)ccc2[O-])cs1 ZINC000291507503 523199887 /nfs/dbraw/zinc/19/98/87/523199887.db2.gz HZJHOIWBURTYDX-UHFFFAOYSA-N -1 3 282.340 2.424 20 10 CECDHM CC[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCS1 ZINC000126565590 523259937 /nfs/dbraw/zinc/25/99/37/523259937.db2.gz ANGTZYSFEKHOGN-VIFPVBQESA-N -1 3 267.350 2.065 20 10 CECDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)CC[S@](=O)C1 ZINC000277362010 524608910 /nfs/dbraw/zinc/60/89/10/524608910.db2.gz FHFZDAFSIHIBNN-YPMLDQLKSA-N -1 3 287.812 2.246 20 10 CECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CC1CC1 ZINC000277531887 527003059 /nfs/dbraw/zinc/00/30/59/527003059.db2.gz VRIHWXBEFRAONS-UHFFFAOYSA-N -1 3 294.738 2.220 20 10 CECDHM Cc1ncccc1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000728774444 574469300 /nfs/dbraw/zinc/46/93/00/574469300.db2.gz BPXSCFXDFSTBLH-UHFFFAOYSA-N -1 3 273.292 2.294 20 10 CECDHM Cc1ccn2cc(CNC(=O)c3cc([O-])cs3)nc2c1 ZINC000731870011 574604530 /nfs/dbraw/zinc/60/45/30/574604530.db2.gz HQMVPXCMWGSRPP-UHFFFAOYSA-N -1 3 287.344 2.340 20 10 CECDHM CC(C)(C)c1noc(COC(=O)c2cc([O-])cs2)n1 ZINC000731910910 574605683 /nfs/dbraw/zinc/60/56/83/574605683.db2.gz WKZDHXGJDICIJU-UHFFFAOYSA-N -1 3 282.321 2.491 20 10 CECDHM O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cc([O-])cs1 ZINC000735519562 574761519 /nfs/dbraw/zinc/76/15/19/574761519.db2.gz CXOZUUFYDYODDW-UHFFFAOYSA-N -1 3 286.316 2.491 20 10 CECDHM CC(C)[C@H](CNCc1ccc(N(C)C)c(F)c1)NC(=O)[O-] ZINC000738791817 574879058 /nfs/dbraw/zinc/87/90/58/574879058.db2.gz FRAREGYCWQDTSP-ZDUSSCGKSA-N -1 3 297.374 2.274 20 10 CECDHM CC(C)C[C@@H](CNC(=O)[O-])[NH2+]Cc1ccccc1[O-] ZINC000738811836 574880321 /nfs/dbraw/zinc/88/03/21/574880321.db2.gz OFZMTORSXAGBDH-LBPRGKRZSA-N -1 3 266.341 2.164 20 10 CECDHM COC(C)(C)C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000743697616 575108773 /nfs/dbraw/zinc/10/87/73/575108773.db2.gz HBNYONMCWYVGEC-MRVPVSSYSA-N -1 3 257.355 2.387 20 10 CECDHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccccc2O)c1 ZINC000751151008 575283432 /nfs/dbraw/zinc/28/34/32/575283432.db2.gz NMFYUBKFEHWRIQ-UHFFFAOYSA-N -1 3 295.335 2.318 20 10 CECDHM C[C@H](C[C@H]1CCCN1C(=O)[O-])[NH2+]Cc1ccccc1[O-] ZINC000824766016 605514868 /nfs/dbraw/zinc/51/48/68/605514868.db2.gz BAEYQXYHXYLWBS-DGCLKSJQSA-N -1 3 278.352 2.403 20 10 CECDHM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCN1C1CC1 ZINC000890759111 622930141 /nfs/dbraw/zinc/93/01/41/622930141.db2.gz COIKVCHZKCHTEJ-CYBMUJFWSA-N -1 3 294.782 2.289 20 10 CECDHM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1O ZINC000779199528 623398237 /nfs/dbraw/zinc/39/82/37/623398237.db2.gz CZLGFXCKJHLAOM-UFBFGSQYSA-N -1 3 273.735 2.387 20 10 CECDHM O=c1cc(NCc2ccc(N3CCCC3)cc2)nc[n-]1 ZINC000891797554 623978082 /nfs/dbraw/zinc/97/80/82/623978082.db2.gz VTOBHAMRHMKGNB-UHFFFAOYSA-N -1 3 270.336 2.395 20 10 CECDHM CC[C@@H]1CN(C)CCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000821338235 634688190 /nfs/dbraw/zinc/68/81/90/634688190.db2.gz YZECCNLEHVHZTE-CQSZACIVSA-N -1 3 294.370 2.260 20 10 CECDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])[C@@H](C)CN1C ZINC000894482281 629481020 /nfs/dbraw/zinc/48/10/20/629481020.db2.gz BJVQHGVLABQZIC-ZJUUUORDSA-N -1 3 270.323 2.195 20 10 CECDHM O=c1[nH]ccc2c1CN(Cc1cc(F)cc(F)c1[O-])CC2 ZINC000894563707 629532571 /nfs/dbraw/zinc/53/25/71/629532571.db2.gz UVCOYQZQWWZDHE-UHFFFAOYSA-N -1 3 292.285 2.329 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1C(F)F ZINC000800614324 631137493 /nfs/dbraw/zinc/13/74/93/631137493.db2.gz QZLORHNNHXYOBS-SECBINFHSA-N -1 3 271.263 2.358 20 10 CECDHM C[C@@H](Nc1cnn(CCO)c1)c1ccc(Cl)cc1[O-] ZINC000841749401 631649543 /nfs/dbraw/zinc/64/95/43/631649543.db2.gz DTWDQFFOQWPXGF-SECBINFHSA-N -1 3 281.743 2.408 20 10 CECDHM COc1nn(C)cc1CNCc1c([O-])cc(C)cc1Cl ZINC000898026216 632020418 /nfs/dbraw/zinc/02/04/18/632020418.db2.gz ZDZBVZOLNVHWBX-UHFFFAOYSA-N -1 3 295.770 2.386 20 10 CECDHM COc1nn(C)cc1CNCc1cccc(Cl)c1[O-] ZINC000898029028 632023722 /nfs/dbraw/zinc/02/37/22/632023722.db2.gz CWTQRJFOTYMJET-UHFFFAOYSA-N -1 3 281.743 2.078 20 10 CECDHM Cc1cc([O-])c(CN2CC(=O)NCC2(C)C)cc1Cl ZINC000825780501 635712938 /nfs/dbraw/zinc/71/29/38/635712938.db2.gz WJKLUALLICFXGY-UHFFFAOYSA-N -1 3 282.771 2.064 20 10 CECDHM CC[C@@H](CS(=O)(=O)Nc1ccc([O-])c(Cl)c1)OC ZINC000817356952 633638842 /nfs/dbraw/zinc/63/88/42/633638842.db2.gz ZPOZMPSHGJXPKC-VIFPVBQESA-N -1 3 293.772 2.212 20 10 CECDHM CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000817881841 633751530 /nfs/dbraw/zinc/75/15/30/633751530.db2.gz PTDSIZIPEATBHL-YPMHNXCESA-N -1 3 293.363 2.334 20 10 CECDHM CCOc1ccc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000817881841 633751534 /nfs/dbraw/zinc/75/15/34/633751534.db2.gz PTDSIZIPEATBHL-YPMHNXCESA-N -1 3 293.363 2.334 20 10 CECDHM O=C(NCc1c([O-])cccc1F)[C@@]12CCO[C@H]1CCCC2 ZINC000830179687 637001403 /nfs/dbraw/zinc/00/14/03/637001403.db2.gz BRSGATLYQVTAEB-HOCLYGCPSA-N -1 3 293.338 2.497 20 10 CECDHM O=C(NCCOCc1ccccc1)c1cccc(O)c1[O-] ZINC000187608706 639432515 /nfs/dbraw/zinc/43/25/15/639432515.db2.gz XNKYSGZOZMMKNE-UHFFFAOYSA-N -1 3 287.315 2.044 20 10 CECDHM CCN1CCN(Cc2c([O-])cc(C)cc2Cl)CC1=O ZINC000840939025 639592322 /nfs/dbraw/zinc/59/23/22/639592322.db2.gz JIVVSSRDSJYDBU-UHFFFAOYSA-N -1 3 282.771 2.018 20 10 CECDHM CCOC(=O)[C@@H](C)NCc1c([O-])cc(C)cc1Cl ZINC000840942242 639595386 /nfs/dbraw/zinc/59/53/86/639595386.db2.gz WNMWYOWFJWVOJS-SECBINFHSA-N -1 3 271.744 2.395 20 10 CECDHM CC[C@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C(=O)[O-] ZINC000843038306 640240826 /nfs/dbraw/zinc/24/08/26/640240826.db2.gz GHVCUYONPPWWCH-JTQLQIEISA-N -1 3 257.717 2.307 20 10 CECDHM CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000843041150 640247551 /nfs/dbraw/zinc/24/75/51/640247551.db2.gz OZNHDSIJQCEQCB-RISCZKNCSA-N -1 3 293.363 2.334 20 10 CECDHM CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000843041150 640247554 /nfs/dbraw/zinc/24/75/54/640247554.db2.gz OZNHDSIJQCEQCB-RISCZKNCSA-N -1 3 293.363 2.334 20 10 CECDHM CCc1nc([C@H](C)NCc2ccc(F)c(F)c2[O-])n[nH]1 ZINC000877131391 650587202 /nfs/dbraw/zinc/58/72/02/650587202.db2.gz YXHBIYGEUBVXRY-ZETCQYMHSA-N -1 3 282.294 2.202 20 10 CECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](C)S1 ZINC000126430719 650639403 /nfs/dbraw/zinc/63/94/03/650639403.db2.gz WMUXAFHDIHAHSI-RKDXNWHRSA-N -1 3 267.350 2.064 20 10 CECDHM O=C(c1cccc(O)c1[O-])N(CC1CC1)CC1CC1 ZINC000126431606 650639579 /nfs/dbraw/zinc/63/95/79/650639579.db2.gz XNZDULWCORRSBH-UHFFFAOYSA-N -1 3 261.321 2.360 20 10 CECDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)C1CCOCC1 ZINC000921477188 641290674 /nfs/dbraw/zinc/29/06/74/641290674.db2.gz ZWNCNAPVPHHXKG-JTQLQIEISA-N -1 3 296.342 2.146 20 10 CECDHM O=C(NCC(C1CC1)C1CC1)c1cccc(O)c1[O-] ZINC000126459128 650669429 /nfs/dbraw/zinc/66/94/29/650669429.db2.gz RFDBRAJXWUOGBC-UHFFFAOYSA-N -1 3 261.321 2.264 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](c2ccncc2)C1 ZINC000848101103 641892071 /nfs/dbraw/zinc/89/20/71/641892071.db2.gz KRMPWNSBFLSDHH-LBPRGKRZSA-N -1 3 284.315 2.123 20 10 CECDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)[C@H]1CCCOC1 ZINC000921862924 642761970 /nfs/dbraw/zinc/76/19/70/642761970.db2.gz LKWZTRWDKMDMFE-QWRGUYRKSA-N -1 3 296.342 2.146 20 10 CECDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@H]1CCCOC1 ZINC000921862922 642762326 /nfs/dbraw/zinc/76/23/26/642762326.db2.gz LKWZTRWDKMDMFE-MNOVXSKESA-N -1 3 296.342 2.146 20 10 CECDHM CCOC[C@@H](NC(=O)NCc1c([O-])cccc1F)C(C)C ZINC000922153866 642910544 /nfs/dbraw/zinc/91/05/44/642910544.db2.gz QMDPZGZSMSMCKA-CYBMUJFWSA-N -1 3 298.358 2.392 20 10 CECDHM CCn1nccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000853241422 643719009 /nfs/dbraw/zinc/71/90/09/643719009.db2.gz UZVZTBGTUZAFMK-JTQLQIEISA-N -1 3 290.323 2.368 20 10 CECDHM CC(C)(O)C1CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000839139477 644171059 /nfs/dbraw/zinc/17/10/59/644171059.db2.gz GXJFMLSNQOWSFQ-UHFFFAOYSA-N -1 3 273.735 2.387 20 10 CECDHM C[C@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])c1ncnn1C ZINC000788983941 644248047 /nfs/dbraw/zinc/24/80/47/644248047.db2.gz PDIGLSXGYMHENW-YUMQZZPRSA-N -1 3 282.294 2.211 20 10 CECDHM C[C@@H](N[C@@H](C)c1nncn1C)c1cc(F)cc(F)c1[O-] ZINC000756531718 644659474 /nfs/dbraw/zinc/65/94/74/644659474.db2.gz BKZSRBIOODAJTN-SFYZADRCSA-N -1 3 282.294 2.211 20 10 CECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000770279845 646375587 /nfs/dbraw/zinc/37/55/87/646375587.db2.gz CUQLXRNRXIKTEE-UHFFFAOYSA-N -1 3 269.728 2.183 20 10 CECDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc3c(c2)CCO3)n1 ZINC000862432529 646457771 /nfs/dbraw/zinc/45/77/71/646457771.db2.gz HEICHQYKINVPJP-UHFFFAOYSA-N -1 3 299.374 2.450 20 10 CECDHM COc1c([O-])c(CNc2ccccn2)ccc1[N+](=O)[O-] ZINC000774976271 646912912 /nfs/dbraw/zinc/91/29/12/646912912.db2.gz KHSXYXYRNQQASP-UHFFFAOYSA-N -1 3 275.264 2.316 20 10 CECDHM COc1c([O-])c(CNc2ccc(F)nc2)ccc1[N+](=O)[O-] ZINC000775058001 646920462 /nfs/dbraw/zinc/92/04/62/646920462.db2.gz QYNFENYAQIZEEY-UHFFFAOYSA-N -1 3 293.254 2.455 20 10 CECDHM CC1(C)CCC[C@](O)(CNC(=O)c2cccc(O)c2[O-])C1 ZINC000783769634 647760144 /nfs/dbraw/zinc/76/01/44/647760144.db2.gz OZGMIKPGUVHQNE-MRXNPFEDSA-N -1 3 293.363 2.159 20 10 CECDHM Cc1ccc(CN(C)C(=O)c2cccc(O)c2[O-])nc1 ZINC000789865792 648350326 /nfs/dbraw/zinc/35/03/26/648350326.db2.gz UTQFBCOFCBJWFH-UHFFFAOYSA-N -1 3 272.304 2.073 20 10 CECDHM O=C(NCCOc1ccccc1F)c1cccc(O)c1[O-] ZINC000790472655 648420894 /nfs/dbraw/zinc/42/08/94/648420894.db2.gz ORLZWEQLSJXWQF-UHFFFAOYSA-N -1 3 291.278 2.046 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC(CC(F)(F)F)C1 ZINC000790882776 648457546 /nfs/dbraw/zinc/45/75/46/648457546.db2.gz ROXXFGHPPLJGMV-UHFFFAOYSA-N -1 3 275.226 2.122 20 10 CECDHM O=C(Nc1cc(C(F)(F)F)n[nH]1)c1cccc(O)c1[O-] ZINC000790896899 648459033 /nfs/dbraw/zinc/45/90/33/648459033.db2.gz RABCKCIHMDBJJK-UHFFFAOYSA-N -1 3 287.197 2.092 20 10 CECDHM CC[C@@H](C)NC(=O)[C@H](C)NCc1cc(F)cc(F)c1[O-] ZINC000882941026 652279219 /nfs/dbraw/zinc/27/92/19/652279219.db2.gz GGZIDBBMDNDDGN-BDAKNGLRSA-N -1 3 286.322 2.063 20 10 CECDHM [O-]c1c(F)cc(F)cc1CN[C@@H](CCO)c1ccco1 ZINC000883089956 652360973 /nfs/dbraw/zinc/36/09/73/652360973.db2.gz YFGFFOZGGLEEQL-LBPRGKRZSA-N -1 3 283.274 2.477 20 10 CECDHM [O-]c1cc(Cl)ccc1CN1CCOC2(CC2)C1 ZINC001140464278 802945016 /nfs/dbraw/zinc/94/50/16/802945016.db2.gz JJNFHIROVLMNKD-UHFFFAOYSA-N -1 3 253.729 2.410 20 10 CECDHM CC1(O)CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140582062 803178444 /nfs/dbraw/zinc/17/84/44/803178444.db2.gz BAHCNNLIYKEAEK-UHFFFAOYSA-N -1 3 257.280 2.017 20 10 CECDHM Cc1noc([C@@H]2CCN(Cc3c([O-])cc(F)cc3F)C2)n1 ZINC001140584599 803185986 /nfs/dbraw/zinc/18/59/86/803185986.db2.gz YGAAUNNKYYNJCQ-SECBINFHSA-N -1 3 295.289 2.351 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCCC(F)(F)CC1 ZINC000702841757 809594780 /nfs/dbraw/zinc/59/47/80/809594780.db2.gz VWJCMJLOHKFJQI-UHFFFAOYSA-N -1 3 271.263 2.359 20 10 CECDHM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])CCCO1 ZINC000708423269 809930118 /nfs/dbraw/zinc/93/01/18/809930118.db2.gz RCUQIOKDONGETG-VIFPVBQESA-N -1 3 257.280 2.281 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1Cc1ccccn1 ZINC001148214493 814537630 /nfs/dbraw/zinc/53/76/30/814537630.db2.gz URMKVRNYQGDBOV-ZDUSSCGKSA-N -1 3 298.342 2.340 20 10 CECDHM Cc1cnc(Cl)c(NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148582116 814590162 /nfs/dbraw/zinc/59/01/62/814590162.db2.gz XMUIOHSDJKKSCX-UHFFFAOYSA-N -1 3 294.694 2.413 20 10 CECDHM CC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC001138129466 815734391 /nfs/dbraw/zinc/73/43/91/815734391.db2.gz FEDDLTYPCDDDJC-ZDUSSCGKSA-N -1 3 251.301 2.475 20 10 CECDHM CC(=O)N1CCC[C@H](N(C)Cc2c(F)ccc(F)c2[O-])C1 ZINC001139687854 816084500 /nfs/dbraw/zinc/08/45/00/816084500.db2.gz RUWCEJCKEDAXRG-NSHDSACASA-N -1 3 298.333 2.113 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CC2(C1)CCOCC2 ZINC001142520958 816679118 /nfs/dbraw/zinc/67/91/18/816679118.db2.gz SADLLXDUQCVYNI-UHFFFAOYSA-N -1 3 269.291 2.283 20 10 CECDHM CCC1(O)CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142524945 816680419 /nfs/dbraw/zinc/68/04/19/816680419.db2.gz QNGGLMQEHNTCLH-UHFFFAOYSA-N -1 3 271.307 2.407 20 10 CECDHM CN(Cc1ccno1)Cc1cc(F)c(F)cc1[O-] ZINC001142531259 816680477 /nfs/dbraw/zinc/68/04/77/816680477.db2.gz QOMQPDLTRCBASU-UHFFFAOYSA-N -1 3 254.236 2.290 20 10 CECDHM C[C@@H]1CO[C@@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@H]12 ZINC001142526988 816680887 /nfs/dbraw/zinc/68/08/87/816680887.db2.gz FIFONAQZUNQLDG-PJCOJXEDSA-N -1 3 269.291 2.137 20 10 CECDHM CCNC(=O)[C@@H](C)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000036795147 361859925 /nfs/dbraw/zinc/85/99/25/361859925.db2.gz WIBOBQZNISJXFX-SSDOTTSWSA-N -1 3 291.178 2.313 20 10 CECDHM CCOC(=O)CN(Cc1cc(F)ccc1[O-])C(C)C ZINC000179949592 368360516 /nfs/dbraw/zinc/36/05/16/368360516.db2.gz GTHHIBZIDBLCQY-UHFFFAOYSA-N -1 3 269.316 2.305 20 10 CECDHM C[C@H]1C[C@@H]1c1cc(NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000192993331 369880326 /nfs/dbraw/zinc/88/03/26/369880326.db2.gz CIUNUGIXUQAUEJ-CBAPKCEASA-N -1 3 273.292 2.197 20 10 CECDHM O=C(N[C@H]1CCOC2(CCCC2)C1)c1cccc(O)c1[O-] ZINC000193138741 369898856 /nfs/dbraw/zinc/89/88/56/369898856.db2.gz BVACJAPEVAPUOI-NSHDSACASA-N -1 3 291.347 2.319 20 10 CECDHM CO[C@H]1CCCC[C@H]1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000272737990 373635079 /nfs/dbraw/zinc/63/50/79/373635079.db2.gz LLCRLGFEOLMKEZ-NEPJUHHUSA-N -1 3 279.336 2.094 20 10 CECDHM CC(=O)c1cc(F)cc(CN2[C@H](C)CCC[C@@H]2CO)c1[O-] ZINC000272697741 373618879 /nfs/dbraw/zinc/61/88/79/373618879.db2.gz VPHMXEKKOIMKPZ-QMTHXVAHSA-N -1 3 295.354 2.469 20 10 CECDHM Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCCO2)c([O-])c1O ZINC000272890638 373696738 /nfs/dbraw/zinc/69/67/38/373696738.db2.gz ARECRYSGVTWLHF-JQWIXIFHSA-N -1 3 279.336 2.094 20 10 CECDHM CC[C@@H](N[C@@H](C)c1ncn(C)n1)c1ccccc1[O-] ZINC000275720043 374217886 /nfs/dbraw/zinc/21/78/86/374217886.db2.gz NOWIRKOPFMWTEA-CMPLNLGQSA-N -1 3 260.341 2.323 20 10 CECDHM COC[C@@H](CO)N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000280840392 375339512 /nfs/dbraw/zinc/33/95/12/375339512.db2.gz AMUACHAAKABINP-JGVFFNPUSA-N -1 3 294.178 2.357 20 10 CECDHM CCCN(Cc1ncnn1CCF)Cc1ccccc1[O-] ZINC000281396308 375376088 /nfs/dbraw/zinc/37/60/88/375376088.db2.gz DZAPLLPTMNBEPA-UHFFFAOYSA-N -1 3 292.358 2.365 20 10 CECDHM CC(C)(C)OC(=O)C1CN(Cc2cc(F)ccc2[O-])C1 ZINC000297304141 378680036 /nfs/dbraw/zinc/68/00/36/378680036.db2.gz BJXPEEWBURAAOM-UHFFFAOYSA-N -1 3 281.327 2.305 20 10 CECDHM CC1CCN(C(=O)CN(C)Cc2ccccc2[O-])CC1 ZINC000109772519 394735356 /nfs/dbraw/zinc/73/53/56/394735356.db2.gz XQEHBXJXBFSDAD-UHFFFAOYSA-N -1 3 276.380 2.083 20 10 CECDHM CCc1cnc(CNC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000182522615 395244092 /nfs/dbraw/zinc/24/40/92/395244092.db2.gz AORMNQDQKPLYAX-UHFFFAOYSA-N -1 3 292.360 2.355 20 10 CECDHM Cc1ccc(C(=O)N(C)C[C@@H]2CCCC[C@H]2O)c([O-])c1O ZINC000183004956 395251982 /nfs/dbraw/zinc/25/19/82/395251982.db2.gz XCZYSHINIRNKFF-WCQYABFASA-N -1 3 293.363 2.029 20 10 CECDHM CCCNC(=O)CN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000184881655 262032661 /nfs/dbraw/zinc/03/26/61/262032661.db2.gz MHRJSXQQZCAINT-VIFPVBQESA-N -1 3 270.760 2.222 20 10 CECDHM Cc1c(CN[C@H](C)c2ccc(F)cc2[O-])cnn1C ZINC000186188095 262312115 /nfs/dbraw/zinc/31/21/15/262312115.db2.gz DGIBCHPQEQZONR-SECBINFHSA-N -1 3 263.316 2.424 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCOC[C@H]1CC(F)F ZINC000289885268 263112748 /nfs/dbraw/zinc/11/27/48/263112748.db2.gz WGOLXUGVJLNBAM-LLVKDONJSA-N -1 3 275.270 2.387 20 10 CECDHM O=S1(=O)C[C@H](NCc2ccccc2[O-])c2ccccc21 ZINC000370355873 267311158 /nfs/dbraw/zinc/31/11/58/267311158.db2.gz ULJZYEJVJCUDOQ-ZDUSSCGKSA-N -1 3 289.356 2.010 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CC(Cc2ccco2)C1 ZINC000529862424 333511777 /nfs/dbraw/zinc/51/17/77/333511777.db2.gz OCEOEBUFAYKOHH-UHFFFAOYSA-N -1 3 273.288 2.006 20 10 CECDHM CC(C)(C)c1nsc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000279121773 519141164 /nfs/dbraw/zinc/14/11/64/519141164.db2.gz ADEXMXPJTHHKTQ-UHFFFAOYSA-N -1 3 293.348 2.499 20 10 CECDHM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1nncn1C ZINC000062746965 525660260 /nfs/dbraw/zinc/66/02/60/525660260.db2.gz XDYBETDOFFFZPI-RKDXNWHRSA-N -1 3 264.304 2.072 20 10 CECDHM CN(C)[C@H](CNC(=O)c1cc([O-])cs1)c1ccco1 ZINC000731864485 574604124 /nfs/dbraw/zinc/60/41/24/574604124.db2.gz XXAOFMAJZROVLH-SNVBAGLBSA-N -1 3 280.349 2.079 20 10 CECDHM O=C(COC(=O)c1cc([O-])cs1)NC1CCCCC1 ZINC000731911288 574605666 /nfs/dbraw/zinc/60/56/66/574605666.db2.gz JGGPMDNRLXSHHQ-UHFFFAOYSA-N -1 3 283.349 2.059 20 10 CECDHM CCOC(=O)CC1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732268559 574616526 /nfs/dbraw/zinc/61/65/26/574616526.db2.gz PONSPEVCZBFMAP-UHFFFAOYSA-N -1 3 297.376 2.259 20 10 CECDHM O=C(NC[C@H]1CC1(Cl)Cl)c1cc([O-])cs1 ZINC000732267005 574616545 /nfs/dbraw/zinc/61/65/45/574616545.db2.gz AWSXZJOPJUBUFQ-RXMQYKEDSA-N -1 3 266.149 2.377 20 10 CECDHM O=C(NCc1cccc2c1OCO2)c1cc([O-])cs1 ZINC000732276915 574617295 /nfs/dbraw/zinc/61/72/95/574617295.db2.gz WOQCKHVEWMPZCG-UHFFFAOYSA-N -1 3 277.301 2.112 20 10 CECDHM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cc([O-])cs1 ZINC000734876866 574733471 /nfs/dbraw/zinc/73/34/71/574733471.db2.gz FBBJZGBGXIHETK-LBPRGKRZSA-N -1 3 289.360 2.360 20 10 CECDHM CN1C(=O)C2(CCCC2)N[C@H]1c1cc(Cl)ccc1[O-] ZINC000742441770 575022052 /nfs/dbraw/zinc/02/20/52/575022052.db2.gz HPFRDSOPMUBSPF-GFCCVEGCSA-N -1 3 280.755 2.419 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC(c2cn[nH]c2)CC1 ZINC000743460350 575104737 /nfs/dbraw/zinc/10/47/37/575104737.db2.gz VKDOKSFTDXCBMQ-UHFFFAOYSA-N -1 3 277.349 2.197 20 10 CECDHM CCc1noc([C@@H](C)OC(=O)c2cc([O-])cs2)n1 ZINC000745002554 575130343 /nfs/dbraw/zinc/13/03/43/575130343.db2.gz MEAPCBVXHSPHKR-ZCFIWIBFSA-N -1 3 268.294 2.317 20 10 CECDHM C[C@H]1C[C@@H](CCNC(=O)c2cc([O-])cs2)CCO1 ZINC000753507917 575328422 /nfs/dbraw/zinc/32/84/22/575328422.db2.gz QKOYZSWSSLWGAU-UWVGGRQHSA-N -1 3 269.366 2.389 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCc3nc[nH]c3C2)c1[O-] ZINC000821270597 634671701 /nfs/dbraw/zinc/67/17/01/634671701.db2.gz MKBCIYWXTFXOGB-UHFFFAOYSA-N -1 3 289.310 2.015 20 10 CECDHM Cc1ccc(C(=O)Nc2cc3ccccn3n2)c([O-])c1O ZINC000804378258 631672962 /nfs/dbraw/zinc/67/29/62/631672962.db2.gz JEBUOTMOIHFEED-UHFFFAOYSA-N -1 3 283.287 2.306 20 10 CECDHM [O-]c1cc(Br)ccc1CN1CC2(C1)CCOC2 ZINC000826024351 635748483 /nfs/dbraw/zinc/74/84/83/635748483.db2.gz ZQXNUKWGLYTHKS-UHFFFAOYSA-N -1 3 298.180 2.377 20 10 CECDHM Cc1cc([O-])c(CN2C[C@H](CO)OC(C)(C)C2)cc1Cl ZINC000826131459 635764725 /nfs/dbraw/zinc/76/47/25/635764725.db2.gz SZIHBEDDURBJDX-GFCCVEGCSA-N -1 3 299.798 2.326 20 10 CECDHM CC(C)NC(=O)CN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816482731 633397639 /nfs/dbraw/zinc/39/76/39/633397639.db2.gz QKRNMMVKINZXLM-UHFFFAOYSA-N -1 3 288.750 2.141 20 10 CECDHM O=C1CN(Cc2ccc3ccccc3c2[O-])CCN1C1CC1 ZINC000816512400 633403925 /nfs/dbraw/zinc/40/39/25/633403925.db2.gz HNWUCRCAHFXIKV-UHFFFAOYSA-N -1 3 296.370 2.352 20 10 CECDHM COC[C@@H]1CCN1Cc1cccc(Br)c1[O-] ZINC000816637056 633454160 /nfs/dbraw/zinc/45/41/60/633454160.db2.gz PTRVPCFBESWIKQ-JTQLQIEISA-N -1 3 286.169 2.375 20 10 CECDHM Cc1cc([O-])c(CN[C@H](C)c2nncn2C)cc1Cl ZINC000825241702 635598012 /nfs/dbraw/zinc/59/80/12/635598012.db2.gz WKOHQLZQRQOKRX-SECBINFHSA-N -1 3 280.759 2.333 20 10 CECDHM Cc1cc([O-])c(CN2CC(C)(CO)C2)cc1Cl ZINC000826114343 635763582 /nfs/dbraw/zinc/76/35/82/635763582.db2.gz XOACDIKQIVRNIY-UHFFFAOYSA-N -1 3 255.745 2.168 20 10 CECDHM CN(Cc1cn(C)nn1)Cc1ccc2ccccc2c1[O-] ZINC000827305355 636287292 /nfs/dbraw/zinc/28/72/92/636287292.db2.gz RFBDHQKZGJDUHY-UHFFFAOYSA-N -1 3 282.347 2.306 20 10 CECDHM [O-]c1cccc(Cl)c1CN1CCc2nccnc2C1 ZINC000827692791 636393500 /nfs/dbraw/zinc/39/35/00/636393500.db2.gz ODKLJEBADNNXGZ-UHFFFAOYSA-N -1 3 275.739 2.394 20 10 CECDHM O=C(Nc1cc(CC2CC2)[nH]n1)c1cccc(O)c1[O-] ZINC000830877329 637185717 /nfs/dbraw/zinc/18/57/17/637185717.db2.gz OEDCIQVOQMFVTO-UHFFFAOYSA-N -1 3 273.292 2.026 20 10 CECDHM Cc1ccc(C(=O)Nc2nccn2C2CC2)c([O-])c1O ZINC000840568692 639494620 /nfs/dbraw/zinc/49/46/20/639494620.db2.gz DKCJFWTXIMFCAK-UHFFFAOYSA-N -1 3 273.292 2.190 20 10 CECDHM CCOC(=O)[C@H](C)NCc1c([O-])cc(C)cc1Cl ZINC000840942243 639595205 /nfs/dbraw/zinc/59/52/05/639595205.db2.gz WNMWYOWFJWVOJS-VIFPVBQESA-N -1 3 271.744 2.395 20 10 CECDHM CC1CC(NC(=O)NCc2c([O-])cccc2F)C1 ZINC000921236853 641238900 /nfs/dbraw/zinc/23/89/00/641238900.db2.gz MRWAMACQGRIPJO-UHFFFAOYSA-N -1 3 252.289 2.129 20 10 CECDHM Cc1cnc(CCNC(=O)c2cccc(O)c2[O-])c(C)c1 ZINC000848293894 641955559 /nfs/dbraw/zinc/95/55/59/641955559.db2.gz CZOVPPIBPDXGTO-UHFFFAOYSA-N -1 3 286.331 2.082 20 10 CECDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCCO1 ZINC000848350535 641966945 /nfs/dbraw/zinc/96/69/45/641966945.db2.gz QJLMZNSLYICEBO-DGCLKSJQSA-N -1 3 279.336 2.175 20 10 CECDHM Cc1noc(CN(C)Cc2cc(Cl)ccc2[O-])n1 ZINC000848927662 642198140 /nfs/dbraw/zinc/19/81/40/642198140.db2.gz JWDSAZFAGZXIDD-UHFFFAOYSA-N -1 3 267.716 2.369 20 10 CECDHM [O-]c1c(F)c(F)ccc1CN1CC[C@H](n2cccn2)C1 ZINC000877544875 650778902 /nfs/dbraw/zinc/77/89/02/650778902.db2.gz ZXQQOJLDCVPZPT-NSHDSACASA-N -1 3 279.290 2.314 20 10 CECDHM C[C@@H]1C[C@@H](CNC(=O)NCc2c([O-])cccc2F)[C@H](C)O1 ZINC000922891566 643337212 /nfs/dbraw/zinc/33/72/12/643337212.db2.gz LUVXTAJLIJHDKX-VWYCJHECSA-N -1 3 296.342 2.144 20 10 CECDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccncc1 ZINC000187122262 643608248 /nfs/dbraw/zinc/60/82/48/643608248.db2.gz RVQWPRDJNZFJJV-LBPRGKRZSA-N -1 3 272.304 2.374 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NOCC1CCC1 ZINC000923348450 643672683 /nfs/dbraw/zinc/67/26/83/643672683.db2.gz HNMWYQUDOWHBFW-UHFFFAOYSA-N -1 3 268.288 2.062 20 10 CECDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2nnc(C)o2)c1[O-] ZINC000755142872 644478400 /nfs/dbraw/zinc/47/84/00/644478400.db2.gz OAVAMSPBWSJBAF-SSDOTTSWSA-N -1 3 293.298 2.276 20 10 CECDHM [O-]c1cccc(Br)c1CN1CC(F)C1 ZINC000862316256 646399107 /nfs/dbraw/zinc/39/91/07/646399107.db2.gz ARBVLAKCDBVENO-UHFFFAOYSA-N -1 3 260.106 2.308 20 10 CECDHM CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c([O-])c1 ZINC000863740560 646803020 /nfs/dbraw/zinc/80/30/20/646803020.db2.gz XREQEGMGYBCZHH-FZMZJTMJSA-N -1 3 293.363 2.334 20 10 CECDHM CCOc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c([O-])c1 ZINC000863740560 646803023 /nfs/dbraw/zinc/80/30/23/646803023.db2.gz XREQEGMGYBCZHH-FZMZJTMJSA-N -1 3 293.363 2.334 20 10 CECDHM CCN1CCN(Cc2cc(Cl)ccc2[O-])C(C)(C)C1=O ZINC000779198285 647296279 /nfs/dbraw/zinc/29/62/79/647296279.db2.gz CJNGIYOLZSDISZ-UHFFFAOYSA-N -1 3 296.798 2.488 20 10 CECDHM C[C@H](Cc1cccc(O)c1)NC(=O)c1cccc(O)c1[O-] ZINC000790893277 648458412 /nfs/dbraw/zinc/45/84/12/648458412.db2.gz FZAGSVJMONFGNK-SNVBAGLBSA-N -1 3 287.315 2.164 20 10 CECDHM C[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)[C@H]1CO ZINC000792181177 648620374 /nfs/dbraw/zinc/62/03/74/648620374.db2.gz XPCJLWNDQXWDIH-KCJUWKMLSA-N -1 3 273.735 2.387 20 10 CECDHM [O-]c1cccnc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000793257915 648732472 /nfs/dbraw/zinc/73/24/72/648732472.db2.gz ZTWNFTOJRGFRPJ-UHFFFAOYSA-N -1 3 264.712 2.436 20 10 CECDHM CC[C@H](C)NC(=O)[C@H](C)NCc1cc(F)cc(F)c1[O-] ZINC000882941028 652279285 /nfs/dbraw/zinc/27/92/85/652279285.db2.gz GGZIDBBMDNDDGN-IUCAKERBSA-N -1 3 286.322 2.063 20 10 CECDHM CC(C)[C@H](NCc1cc(F)cc(F)c1[O-])c1nncn1C ZINC000883117404 652367506 /nfs/dbraw/zinc/36/75/06/652367506.db2.gz YIGYDZGOVVHVIW-LBPRGKRZSA-N -1 3 296.321 2.286 20 10 CECDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001142512616 806610123 /nfs/dbraw/zinc/61/01/23/806610123.db2.gz GJQHIBOABQDJCQ-OTYXRUKQSA-N -1 3 269.291 2.281 20 10 CECDHM C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C(=O)[O-] ZINC000693476268 802956849 /nfs/dbraw/zinc/95/68/49/802956849.db2.gz QICSZPXYAPWXBW-JOYOIKCWSA-N -1 3 267.300 2.074 20 10 CECDHM C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C(=O)[O-] ZINC000693476268 802956852 /nfs/dbraw/zinc/95/68/52/802956852.db2.gz QICSZPXYAPWXBW-JOYOIKCWSA-N -1 3 267.300 2.074 20 10 CECDHM [O-]c1c(CN2CC3(COC3)C2)cccc1C(F)(F)F ZINC001233415881 807403777 /nfs/dbraw/zinc/40/37/77/807403777.db2.gz MEXZPJUBBBDNPP-UHFFFAOYSA-N -1 3 273.254 2.243 20 10 CECDHM CC[C@H]1COCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000037329006 815143166 /nfs/dbraw/zinc/14/31/66/815143166.db2.gz RCLLFVFTAQPPON-ZDUSSCGKSA-N -1 3 281.327 2.345 20 10 CECDHM C[C@@H](NCc1cc(Cl)ccc1[O-])c1ncn(C)n1 ZINC000391879877 813291605 /nfs/dbraw/zinc/29/16/05/813291605.db2.gz VFAONPDCINIBPI-MRVPVSSYSA-N -1 3 266.732 2.025 20 10 CECDHM Cc1nnc([C@@H](C)NCc2cccc(Cl)c2[O-])[nH]1 ZINC000392460656 813304331 /nfs/dbraw/zinc/30/43/31/813304331.db2.gz KVPXJKGKLDMBEB-SSDOTTSWSA-N -1 3 266.732 2.323 20 10 CECDHM COc1ccc2[nH]c(NC(=O)c3cccc(O)c3[O-])nc2c1 ZINC001148212936 814537795 /nfs/dbraw/zinc/53/77/95/814537795.db2.gz PMBFPYSOFWDMQG-UHFFFAOYSA-N -1 3 299.286 2.235 20 10 CECDHM CN(CCC(=O)c1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC001148213617 814537951 /nfs/dbraw/zinc/53/79/51/814537951.db2.gz IGIYMKQWBBZMQJ-UHFFFAOYSA-N -1 3 299.326 2.443 20 10 CECDHM Cc1cccc2[nH]c(NC(=O)c3cc(O)c([O-])c(O)c3)nc21 ZINC001148582182 814592360 /nfs/dbraw/zinc/59/23/60/814592360.db2.gz ZLONCHOYHRKBAM-UHFFFAOYSA-N -1 3 299.286 2.240 20 10 CECDHM [O-]c1cccc(F)c1CN1CCOC[C@H]1C1CC1 ZINC001137840053 815694875 /nfs/dbraw/zinc/69/48/75/815694875.db2.gz QFONIIWBIAVRFX-ZDUSSCGKSA-N -1 3 251.301 2.142 20 10 CECDHM CC[C@@]12C[C@@H](CO1)N(Cc1cccc(F)c1[O-])C2 ZINC001138129870 815734569 /nfs/dbraw/zinc/73/45/69/815734569.db2.gz XMJQNXKWCYYXRI-FZMZJTMJSA-N -1 3 251.301 2.285 20 10 CECDHM [O-]c1ccc(F)cc1CN1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001140059135 816180485 /nfs/dbraw/zinc/18/04/85/816180485.db2.gz URDPOVRTWQXSKO-NHCYSSNCSA-N -1 3 291.244 2.435 20 10 CECDHM CCN(Cc1c([O-])cccc1Cl)[C@@H](C)C(=O)OC ZINC001140342810 816240843 /nfs/dbraw/zinc/24/08/43/816240843.db2.gz ZEQTXBXXOXPMLC-VIFPVBQESA-N -1 3 271.744 2.429 20 10 CECDHM C[C@H]1C[C@@H](O)CCN1Cc1c([O-])cc(F)cc1F ZINC001140583288 816290329 /nfs/dbraw/zinc/29/03/29/816290329.db2.gz CUYGHWGOFAGTGA-WPRPVWTQSA-N -1 3 257.280 2.016 20 10 CECDHM C[C@@H]1CO[C@@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@H]12 ZINC001140584508 816293594 /nfs/dbraw/zinc/29/35/94/816293594.db2.gz URIICWPOYWYGGH-PJCOJXEDSA-N -1 3 269.291 2.137 20 10 CECDHM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CCCO1 ZINC001142508830 816676912 /nfs/dbraw/zinc/67/69/12/816676912.db2.gz NCFCVVATAHHWAZ-SECBINFHSA-N -1 3 257.280 2.281 20 10 CECDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)ccn1 ZINC001178412660 816743358 /nfs/dbraw/zinc/74/33/58/816743358.db2.gz CZEJODFFBCJERC-UHFFFAOYSA-N -1 3 260.268 2.165 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCOC[C@@H]1C1CC1 ZINC000180196730 368371984 /nfs/dbraw/zinc/37/19/84/368371984.db2.gz QDRIIKIVABFROW-CYBMUJFWSA-N -1 3 251.301 2.142 20 10 CECDHM CCN(CCc1nccs1)C(=O)c1cccc(O)c1[O-] ZINC000187202666 369121260 /nfs/dbraw/zinc/12/12/60/369121260.db2.gz LMUWXOIRUVGAKD-UHFFFAOYSA-N -1 3 292.360 2.259 20 10 CECDHM [O-]c1ccc(F)cc1CN[C@@H](CCO)c1ccco1 ZINC000187528286 369172470 /nfs/dbraw/zinc/17/24/70/369172470.db2.gz UFTYXENGSRJBPU-LBPRGKRZSA-N -1 3 265.284 2.338 20 10 CECDHM CCOC(=O)[C@@H](NCc1ccccc1[O-])[C@H](C)CC ZINC000187863436 369239284 /nfs/dbraw/zinc/23/92/84/369239284.db2.gz DEDJBZWAOAFMOE-RISCZKNCSA-N -1 3 265.353 2.460 20 10 CECDHM CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2ccccc2[O-])C1 ZINC000190144592 369599745 /nfs/dbraw/zinc/59/97/45/369599745.db2.gz GNUMFMBTXTXXMK-QWHCGFSZSA-N -1 3 289.335 2.046 20 10 CECDHM CN(Cc1cn(C(C)(C)C)nn1)Cc1ccccc1[O-] ZINC000191253445 369694163 /nfs/dbraw/zinc/69/41/63/369694163.db2.gz LALTZIINCIAUSF-UHFFFAOYSA-N -1 3 274.368 2.371 20 10 CECDHM CCOC(=O)[C@@H](C)N(Cc1cc(F)ccc1[O-])C1CC1 ZINC000191711435 369736392 /nfs/dbraw/zinc/73/63/92/369736392.db2.gz PXSKIMXEGDRYFE-SNVBAGLBSA-N -1 3 281.327 2.447 20 10 CECDHM CCCOc1ccc(CN(CCO)CC(F)F)c([O-])c1 ZINC000193018493 369882308 /nfs/dbraw/zinc/88/23/08/369882308.db2.gz HWQZFEZGATWGEG-UHFFFAOYSA-N -1 3 289.322 2.240 20 10 CECDHM CCOC(=O)C1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000272333738 373434882 /nfs/dbraw/zinc/43/48/82/373434882.db2.gz XAIFKICUWUEYTQ-UHFFFAOYSA-N -1 3 281.327 2.306 20 10 CECDHM Cc1n[nH]cc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273538221 373762649 /nfs/dbraw/zinc/76/26/49/373762649.db2.gz XRJZJYKIGPGOME-SECBINFHSA-N -1 3 276.296 2.183 20 10 CECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(C)no2)c1 ZINC000273595917 373766891 /nfs/dbraw/zinc/76/68/91/373766891.db2.gz QNUDNXRGQVQUCH-JTQLQIEISA-N -1 3 290.319 2.326 20 10 CECDHM CCOC(=O)N1CC[C@H](NCc2c([O-])cccc2Cl)C1 ZINC000274592632 373975303 /nfs/dbraw/zinc/97/53/03/373975303.db2.gz NROYETQXYBKBGN-JTQLQIEISA-N -1 3 298.770 2.366 20 10 CECDHM CCCN(CCC)C(=O)CN(C)Cc1ccccc1[O-] ZINC000109773466 394735051 /nfs/dbraw/zinc/73/50/51/394735051.db2.gz CTWBNYUBNOOPET-UHFFFAOYSA-N -1 3 278.396 2.473 20 10 CECDHM CC(=O)Nc1nc(CN(C)Cc2ccccc2[O-])cs1 ZINC000109770992 394735077 /nfs/dbraw/zinc/73/50/77/394735077.db2.gz UCVHISAUNLYBCQ-UHFFFAOYSA-N -1 3 291.376 2.439 20 10 CECDHM COC(=O)CN(CCCF)Cc1cc(Cl)ccc1[O-] ZINC000137286104 394972242 /nfs/dbraw/zinc/97/22/42/394972242.db2.gz ZNLKQEXDBWXZBY-UHFFFAOYSA-N -1 3 289.734 2.380 20 10 CECDHM O=C1CCC[C@H]1[C@@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000373752170 395065399 /nfs/dbraw/zinc/06/53/99/395065399.db2.gz VQYBIOAJZRSSJX-KBPBESRZSA-N -1 3 293.338 2.101 20 10 CECDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CC[S@@](=O)C1 ZINC000375950184 395105773 /nfs/dbraw/zinc/10/57/73/395105773.db2.gz ZWZBSUYJWDCDMM-MLCYQJTMSA-N -1 3 287.812 2.246 20 10 CECDHM CCc1nnc(NC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000177667578 395154262 /nfs/dbraw/zinc/15/42/62/395154262.db2.gz QLAXNOXSLRAEMI-UHFFFAOYSA-N -1 3 279.321 2.072 20 10 CECDHM COC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccco1 ZINC000182545870 395244017 /nfs/dbraw/zinc/24/40/17/395244017.db2.gz ZYEZLFNACOYPHI-NSHDSACASA-N -1 3 291.303 2.117 20 10 CECDHM COCCN(Cc1ccccc1[O-])CC(F)(F)F ZINC000179564828 395195091 /nfs/dbraw/zinc/19/50/91/395195091.db2.gz QOCZARLTTXGMRX-UHFFFAOYSA-N -1 3 263.259 2.403 20 10 CECDHM Cc1cc(Cl)cc(CN2CCOC[C@]23CCOC3)c1[O-] ZINC000195018128 395456729 /nfs/dbraw/zinc/45/67/29/395456729.db2.gz BIAILPJBCUKDMQ-OAHLLOKOSA-N -1 3 297.782 2.345 20 10 CECDHM CCCN(Cc1nnc(C)o1)Cc1ccccc1[O-] ZINC000075829183 260292149 /nfs/dbraw/zinc/29/21/49/260292149.db2.gz VMYPMXSCWUSYEI-UHFFFAOYSA-N -1 3 261.325 2.496 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c([O-])c1O ZINC000157083247 261138846 /nfs/dbraw/zinc/13/88/46/261138846.db2.gz ZBDCVCQVWUDBSW-YPMHNXCESA-N -1 3 291.347 2.094 20 10 CECDHM CO[C@@]1(C)C[C@H](NC(=O)c2cccc(O)c2[O-])C1(C)C ZINC000185778424 262069439 /nfs/dbraw/zinc/06/94/39/262069439.db2.gz RPWXRIDWDSBCER-NHYWBVRUSA-N -1 3 279.336 2.031 20 10 CECDHM CCOC1CN(Cc2cc(Br)ccc2[O-])C1 ZINC000297333008 263203389 /nfs/dbraw/zinc/20/33/89/263203389.db2.gz DOXZMXNRGDZHDG-UHFFFAOYSA-N -1 3 286.169 2.375 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](O)[C@H]2C)c1[O-] ZINC000296260175 327093763 /nfs/dbraw/zinc/09/37/63/327093763.db2.gz OBMZPLKYTFYXFN-YMTOWFKASA-N -1 3 281.327 2.079 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCC(=O)[C@H](C)C2)c1[O-] ZINC000169148951 327506135 /nfs/dbraw/zinc/50/61/35/327506135.db2.gz ZDGMZNOKKVJGNU-SECBINFHSA-N -1 3 279.311 2.145 20 10 CECDHM COC(=O)[C@@H]1CCCCCN1Cc1cc(F)ccc1[O-] ZINC000360023314 329070041 /nfs/dbraw/zinc/07/00/41/329070041.db2.gz YTBZVGOGYDTNPX-ZDUSSCGKSA-N -1 3 281.327 2.449 20 10 CECDHM Cc1ccc(C(=O)N[C@H]2COc3ccccc3C2)c([O-])c1O ZINC000181986723 329238457 /nfs/dbraw/zinc/23/84/57/329238457.db2.gz QJAIGSGSEAAPSG-GFCCVEGCSA-N -1 3 299.326 2.140 20 10 CECDHM Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)c([O-])c1O ZINC000182839362 329245477 /nfs/dbraw/zinc/24/54/77/329245477.db2.gz XPDSPLHUFDEPBT-DGCLKSJQSA-N -1 3 291.347 2.047 20 10 CECDHM CCCOc1ccc([C@H]2NC(=O)CN2CC(C)C)c([O-])c1 ZINC000298782326 520434262 /nfs/dbraw/zinc/43/42/62/520434262.db2.gz MGOAIERKQYNOSZ-INIZCTEOSA-N -1 3 292.379 2.267 20 10 CECDHM CNC(=O)CC1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000129606073 524056211 /nfs/dbraw/zinc/05/62/11/524056211.db2.gz RHBPXLVXXQHBFP-UHFFFAOYSA-N -1 3 296.798 2.394 20 10 CECDHM C[C@H]1CCN(Cc2c([O-])cccc2Cl)CC[S@@]1=O ZINC000277766789 524289709 /nfs/dbraw/zinc/28/97/09/524289709.db2.gz VVHSPLFDWUCVNX-XTZNXHDOSA-N -1 3 287.812 2.389 20 10 CECDHM C[C@H](C[S@@](C)=O)N(C)Cc1cccc(Cl)c1[O-] ZINC000131041587 524658524 /nfs/dbraw/zinc/65/85/24/524658524.db2.gz JUQJAQWLMOTIMH-XLFHBGCDSA-N -1 3 275.801 2.244 20 10 CECDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)CC[S@@](=O)C1 ZINC000277362000 524981277 /nfs/dbraw/zinc/98/12/77/524981277.db2.gz FHFZDAFSIHIBNN-MLCYQJTMSA-N -1 3 287.812 2.246 20 10 CECDHM C[C@H](N[C@@H](CO)c1cnn(C)c1)c1cc(Cl)ccc1[O-] ZINC000273536960 525542474 /nfs/dbraw/zinc/54/24/74/525542474.db2.gz XOEKHWIGISUDCH-ZANVPECISA-N -1 3 295.770 2.163 20 10 CECDHM Cc1ccc(C(=O)N(CC2CCC2)[C@H](C)CO)c([O-])c1O ZINC000280640302 526071994 /nfs/dbraw/zinc/07/19/94/526071994.db2.gz CJNZRUFRAZKJJU-LLVKDONJSA-N -1 3 293.363 2.029 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCCN(CC(F)F)CC1 ZINC000290308264 526349514 /nfs/dbraw/zinc/34/95/14/526349514.db2.gz BXDBGYAJSKJAFA-UHFFFAOYSA-N -1 3 288.313 2.304 20 10 CECDHM O=C(NCCCc1nccs1)c1cc([O-])cs1 ZINC000732284133 574617993 /nfs/dbraw/zinc/61/79/93/574617993.db2.gz JXSBPIMSDYVOTG-UHFFFAOYSA-N -1 3 268.363 2.273 20 10 CECDHM O=C(Nc1nc2c(s1)COCC2)c1cc([O-])cs1 ZINC000732285178 574618116 /nfs/dbraw/zinc/61/81/16/574618116.db2.gz VMMQDDLYFMZDRS-UHFFFAOYSA-N -1 3 282.346 2.235 20 10 CECDHM Cc1nccn1C[C@@H](C)CNC(=O)c1cc([O-])cs1 ZINC000732274138 574617232 /nfs/dbraw/zinc/61/72/32/574617232.db2.gz CVPUVEQJAPAYMC-VIFPVBQESA-N -1 3 279.365 2.025 20 10 CECDHM O=C(NCc1cccc([N+](=O)[O-])c1)c1cc([O-])cs1 ZINC000732279712 574617616 /nfs/dbraw/zinc/61/76/16/574617616.db2.gz NNGVRMIGRZHRCC-UHFFFAOYSA-N -1 3 278.289 2.292 20 10 CECDHM CC(C)(C)c1nnc(COC(=O)c2cc([O-])cs2)o1 ZINC000732354689 574619755 /nfs/dbraw/zinc/61/97/55/574619755.db2.gz QIAWVYBFNAHSOD-UHFFFAOYSA-N -1 3 282.321 2.491 20 10 CECDHM CC[C@H]1CN(C(=O)c2cc([O-])cs2)CCS1 ZINC000743801425 575109592 /nfs/dbraw/zinc/10/95/92/575109592.db2.gz OKFVFTRSMBHDAT-VIFPVBQESA-N -1 3 257.380 2.421 20 10 CECDHM Cc1cc([C@](C)(O)CNC(=O)c2cc([O-])cs2)c(C)o1 ZINC000743517113 575105594 /nfs/dbraw/zinc/10/55/94/575105594.db2.gz QBUUDUANHBCMGO-CQSZACIVSA-N -1 3 295.360 2.301 20 10 CECDHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000743677966 575108439 /nfs/dbraw/zinc/10/84/39/575108439.db2.gz YLUOFRKBSOOKLJ-QMMMGPOBSA-N -1 3 293.392 2.165 20 10 CECDHM CCc1cnc(COC(=O)c2cc([O-])cs2)o1 ZINC000745001890 575130401 /nfs/dbraw/zinc/13/04/01/575130401.db2.gz DZKWXBIDVBIYGY-UHFFFAOYSA-N -1 3 253.279 2.361 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCc2ncccc2C1 ZINC000750794698 575275288 /nfs/dbraw/zinc/27/52/88/575275288.db2.gz MHXZGGQQYSLUEA-UHFFFAOYSA-N -1 3 260.318 2.047 20 10 CECDHM C[S@](=O)c1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000752819708 575315345 /nfs/dbraw/zinc/31/53/45/575315345.db2.gz QRKIJMKCHIHFTC-IBGZPJMESA-N -1 3 295.385 2.121 20 10 CECDHM CO[C@@H]1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000753466384 575326904 /nfs/dbraw/zinc/32/69/04/575326904.db2.gz DSELPCKNGHKXIG-SNVBAGLBSA-N -1 3 255.339 2.095 20 10 CECDHM O=C(NC[C@@H]1CCCCS1)c1cc([O-])cs1 ZINC000753476397 575327219 /nfs/dbraw/zinc/32/72/19/575327219.db2.gz LHGNTBCVSGSSKO-VIFPVBQESA-N -1 3 257.380 2.469 20 10 CECDHM CN(CCNC(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC000828329549 603451894 /nfs/dbraw/zinc/45/18/94/603451894.db2.gz GRZKZGTVZJPQHT-UHFFFAOYSA-N -1 3 291.395 2.376 20 10 CECDHM C[C@H](CC[NH2+][C@H](C)c1ccccc1[O-])NC(=O)[O-] ZINC000833805151 606043809 /nfs/dbraw/zinc/04/38/09/606043809.db2.gz NBSYXFFJRXTFSN-NXEZZACHSA-N -1 3 252.314 2.089 20 10 CECDHM Cc1nnc([C@H](C)NCc2cc(Cl)c(F)cc2[O-])[nH]1 ZINC000894774883 629629432 /nfs/dbraw/zinc/62/94/32/629629432.db2.gz YXLDNJPQNUPBMC-LURJTMIESA-N -1 3 284.722 2.462 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCCn2nncc2C1 ZINC000895757068 630332734 /nfs/dbraw/zinc/33/27/34/630332734.db2.gz PDGGKZUNKFYOBX-UHFFFAOYSA-N -1 3 278.743 2.043 20 10 CECDHM Cc1noc(C)c1CNCc1c([O-])cccc1F ZINC000896639089 630622706 /nfs/dbraw/zinc/62/27/06/630622706.db2.gz AECSOYRRPWFRER-UHFFFAOYSA-N -1 3 250.273 2.426 20 10 CECDHM O=C(N[C@@H]1CCCC[C@H]1F)c1cccc(O)c1[O-] ZINC000839850789 630838980 /nfs/dbraw/zinc/83/89/80/630838980.db2.gz AXSFBFXIKFPOED-NXEZZACHSA-N -1 3 253.273 2.108 20 10 CECDHM O=C(CCCC(=O)C1CC1)NCc1c([O-])cccc1F ZINC000928705677 631128240 /nfs/dbraw/zinc/12/82/40/631128240.db2.gz KTRZCYXMGDJANH-UHFFFAOYSA-N -1 3 279.311 2.297 20 10 CECDHM CC1(C)CCN(Cc2cc(F)ccc2[O-])CC[S@]1=O ZINC000322051807 631715558 /nfs/dbraw/zinc/71/55/58/631715558.db2.gz AJSUVDKAAPZISZ-LJQANCHMSA-N -1 3 285.384 2.264 20 10 CECDHM CCN(CC(=O)N(C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816485788 633398541 /nfs/dbraw/zinc/39/85/41/633398541.db2.gz ADPZKCRTWBSRRI-UHFFFAOYSA-N -1 3 288.750 2.095 20 10 CECDHM O=C(NC[C@@H]1C[C@H]1C1CCC1)c1cccc(O)c1[O-] ZINC000819603872 634224405 /nfs/dbraw/zinc/22/44/05/634224405.db2.gz CLSDUPMDRZKROZ-JQWIXIFHSA-N -1 3 261.321 2.264 20 10 CECDHM Cc1cc([O-])c(CN2CCN(C3CC3)C(=O)C2)cc1Cl ZINC000824818824 635505056 /nfs/dbraw/zinc/50/50/56/635505056.db2.gz JSYPJLXJVWAZDU-UHFFFAOYSA-N -1 3 294.782 2.161 20 10 CECDHM Cc1cc([O-])c(CN2CC(=O)N(C3CC3)C2)cc1Cl ZINC000825738849 635706189 /nfs/dbraw/zinc/70/61/89/635706189.db2.gz UUJRXDMMFKIWQS-UHFFFAOYSA-N -1 3 280.755 2.118 20 10 CECDHM C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1O ZINC000827946722 636466269 /nfs/dbraw/zinc/46/62/69/636466269.db2.gz QJJUKZDWGBPDPW-SECBINFHSA-N -1 3 299.330 2.256 20 10 CECDHM O=C(C[C@H]1CC[C@@H](C2CC2)O1)NCc1c([O-])cccc1F ZINC000830180080 637001438 /nfs/dbraw/zinc/00/14/38/637001438.db2.gz GZCBMIQHLKFUGG-ABAIWWIYSA-N -1 3 293.338 2.495 20 10 CECDHM CCC[C@H]1C(=O)NCCN1Cc1c([O-])cc(C)cc1Cl ZINC000840917344 639585593 /nfs/dbraw/zinc/58/55/93/639585593.db2.gz SQGBMYVRAZQRLI-ZDUSSCGKSA-N -1 3 296.798 2.455 20 10 CECDHM COC(=O)[C@@H](C)N(C)Cc1c([O-])cc(C)cc1Cl ZINC000840940825 639594544 /nfs/dbraw/zinc/59/45/44/639594544.db2.gz GTVYKSYDCUPMJQ-SECBINFHSA-N -1 3 271.744 2.347 20 10 CECDHM C[C@@H](NCC(F)(F)CO)c1ccc(Cl)cc1[O-] ZINC000841751225 639857940 /nfs/dbraw/zinc/85/79/40/639857940.db2.gz GFEPPBSCEAJADI-SSDOTTSWSA-N -1 3 265.687 2.324 20 10 CECDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1C=CCC1 ZINC000923993746 641244608 /nfs/dbraw/zinc/24/46/08/641244608.db2.gz IKQBIWGUWHUCEQ-JTQLQIEISA-N -1 3 264.300 2.297 20 10 CECDHM CCOc1ccc(C[NH2+]C[C@H](C(=O)[O-])C(C)C)c([O-])c1 ZINC000848639357 642084188 /nfs/dbraw/zinc/08/41/88/642084188.db2.gz IPEINWLARSXSDQ-ZDUSSCGKSA-N -1 3 281.352 2.237 20 10 CECDHM Cc1cnc([C@H](C)NC(=O)NCc2c([O-])cccc2F)o1 ZINC000921846112 642736148 /nfs/dbraw/zinc/73/61/48/642736148.db2.gz DPYFTECGCUMNHZ-VIFPVBQESA-N -1 3 293.298 2.388 20 10 CECDHM C[C@@H]1CSC[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC000922438032 643071741 /nfs/dbraw/zinc/07/17/41/643071741.db2.gz LEQFJWYJKKDTRZ-KCJUWKMLSA-N -1 3 284.356 2.082 20 10 CECDHM CC[C@@H]1C[C@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000922711643 643224084 /nfs/dbraw/zinc/22/40/84/643224084.db2.gz NCTGQHSFJXABCU-ZJUUUORDSA-N -1 3 266.316 2.377 20 10 CECDHM CCc1ncc(CNC(=O)NCc2c([O-])cccc2F)o1 ZINC000922754607 643244748 /nfs/dbraw/zinc/24/47/48/643244748.db2.gz ZIQZIMUCARZWAY-UHFFFAOYSA-N -1 3 293.298 2.081 20 10 CECDHM [O-]c1cccc(Cl)c1CNCc1noc2c1COCC2 ZINC000923015479 643514840 /nfs/dbraw/zinc/51/48/40/643514840.db2.gz DXZMLJKSDGTKRR-UHFFFAOYSA-N -1 3 294.738 2.396 20 10 CECDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1C=CCC1 ZINC000923242724 643618123 /nfs/dbraw/zinc/61/81/23/643618123.db2.gz MDVRXUJCEQLWLC-SECBINFHSA-N -1 3 250.273 2.049 20 10 CECDHM CC[C@H](COCC1CC1)NC(=O)c1cccc(O)c1[O-] ZINC000855283880 644292029 /nfs/dbraw/zinc/29/20/29/644292029.db2.gz HYACHNRWXILEMQ-LLVKDONJSA-N -1 3 279.336 2.033 20 10 CECDHM C[C@@H](NCc1ccnn1C)c1cc(F)cc(F)c1[O-] ZINC000756403476 644644415 /nfs/dbraw/zinc/64/44/15/644644415.db2.gz YPAQUZHUPDAADW-MRVPVSSYSA-N -1 3 267.279 2.255 20 10 CECDHM C[C@H](NCc1cnn(C)c1)c1cc(F)cc(F)c1[O-] ZINC000756450911 644650559 /nfs/dbraw/zinc/65/05/59/644650559.db2.gz VTKJQKWKEYAMSK-QMMMGPOBSA-N -1 3 267.279 2.255 20 10 CECDHM C[C@H]1CCN(Cc2cc(Cl)ccc2[O-])CC[S@]1=O ZINC000763488834 645550700 /nfs/dbraw/zinc/55/07/00/645550700.db2.gz FHIHVIYVTUNPMY-XTZNXHDOSA-N -1 3 287.812 2.389 20 10 CECDHM O=C(N[C@H]1CCc2cc(O)ccc2C1)c1cccc(O)c1[O-] ZINC000768821239 646170048 /nfs/dbraw/zinc/17/00/48/646170048.db2.gz ISFZVDKTWWXWQR-LBPRGKRZSA-N -1 3 299.326 2.091 20 10 CECDHM CN(Cc1cc[nH]n1)Cc1cc(Cl)ccc1[O-] ZINC000769383602 646256131 /nfs/dbraw/zinc/25/61/31/646256131.db2.gz FAVUXPAIDIBRMT-UHFFFAOYSA-N -1 3 251.717 2.401 20 10 CECDHM CN(Cc1nnc2ccccn21)Cc1cc(F)ccc1[O-] ZINC000779003599 647281302 /nfs/dbraw/zinc/28/13/02/647281302.db2.gz XEULUHJIPNZKMK-UHFFFAOYSA-N -1 3 286.310 2.206 20 10 CECDHM CN(Cc1cccc(O)c1)C(=O)c1cccc(O)c1[O-] ZINC000790558186 648430028 /nfs/dbraw/zinc/43/00/28/648430028.db2.gz FXTBJYSKVPECJK-UHFFFAOYSA-N -1 3 273.288 2.076 20 10 CECDHM O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1cccc(O)c1[O-] ZINC000790785842 648447509 /nfs/dbraw/zinc/44/75/09/648447509.db2.gz YYEGTFPKXNHGOG-GXTWGEPZSA-N -1 3 283.327 2.459 20 10 CECDHM Cc1nonc1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000872137659 649289269 /nfs/dbraw/zinc/28/92/69/649289269.db2.gz VAYYTFKAPVDBQC-ZETCQYMHSA-N -1 3 251.261 2.074 20 10 CECDHM CCn1ncc(NC(=O)c2ccc(C)c(O)c2[O-])c1C ZINC000874817396 649837876 /nfs/dbraw/zinc/83/78/76/649837876.db2.gz ZJSVPZQIOCIWNZ-UHFFFAOYSA-N -1 3 275.308 2.183 20 10 CECDHM O=C(NCC1(CC2CC2)CC1)c1cccc(O)c1[O-] ZINC000881520002 651768504 /nfs/dbraw/zinc/76/85/04/651768504.db2.gz IBDUBSMXVYTDEZ-UHFFFAOYSA-N -1 3 261.321 2.408 20 10 CECDHM Cc1cc(Br)c([O-])c(CN2CC[C@H](O)C2)c1 ZINC000134753780 652871377 /nfs/dbraw/zinc/87/13/77/652871377.db2.gz FYHDSLMLZXNCOD-JTQLQIEISA-N -1 3 286.169 2.030 20 10 CECDHM O=c1[nH]ccc2c1CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142527489 806620302 /nfs/dbraw/zinc/62/03/02/806620302.db2.gz WRGIJKHBYGJXFV-UHFFFAOYSA-N -1 3 292.285 2.329 20 10 CECDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCOC1 ZINC000723839514 802943179 /nfs/dbraw/zinc/94/31/79/802943179.db2.gz JPEJGNBFKZIYIU-CMPLNLGQSA-N -1 3 279.336 2.033 20 10 CECDHM C[C@H]1CCCN(Cc2c([O-])cc(F)cc2F)[C@H]1CO ZINC001140582633 803178146 /nfs/dbraw/zinc/17/81/46/803178146.db2.gz KYJZTGISGSSQKK-ZANVPECISA-N -1 3 271.307 2.263 20 10 CECDHM C[C@@H]1CN(Cc2c([O-])cc(F)cc2F)CC[C@]1(C)O ZINC001140582363 803178272 /nfs/dbraw/zinc/17/82/72/803178272.db2.gz HBWWBBJBUDHFDN-OTYXRUKQSA-N -1 3 271.307 2.263 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@]12CCOC2 ZINC001140584630 803185623 /nfs/dbraw/zinc/18/56/23/803185623.db2.gz ZTQZQQMHUHEWMH-CQSZACIVSA-N -1 3 269.291 2.425 20 10 CECDHM CC(C)[C@H]1C[C@H](CNC(=O)c2cccc(O)c2[O-])CCO1 ZINC001117826058 814956975 /nfs/dbraw/zinc/95/69/75/814956975.db2.gz LNPCZIIXEDFTEO-BXUZGUMPSA-N -1 3 293.363 2.279 20 10 CECDHM O=C(NCCSCC(F)(F)F)c1cccc(O)c1[O-] ZINC000698557766 807246157 /nfs/dbraw/zinc/24/61/57/807246157.db2.gz FDSWGUYTQYFPRN-UHFFFAOYSA-N -1 3 295.282 2.123 20 10 CECDHM CC[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](CC)O1 ZINC000398759548 813684085 /nfs/dbraw/zinc/68/40/85/813684085.db2.gz DBNBLKSOFSERFI-QWRGUYRKSA-N -1 3 279.336 2.127 20 10 CECDHM C[C@@]1(F)CCCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148211889 814536455 /nfs/dbraw/zinc/53/64/55/814536455.db2.gz BAVXBRHLCUXJLK-CQSZACIVSA-N -1 3 267.300 2.452 20 10 CECDHM C[C@H]1CCC[C@H](C)N1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148580625 814590674 /nfs/dbraw/zinc/59/06/74/814590674.db2.gz JBFWWFIANHRUQS-IUCAKERBSA-N -1 3 265.309 2.207 20 10 CECDHM O=C(Nc1ccc2oncc2c1)c1cc(O)c([O-])c(O)c1 ZINC001148586533 814592069 /nfs/dbraw/zinc/59/20/69/814592069.db2.gz RKIKCRUYBAHNHM-UHFFFAOYSA-N -1 3 286.243 2.197 20 10 CECDHM [O-]c1c(Br)cccc1CN1C[C@H](O)C2(CC2)C1 ZINC001116674714 814875735 /nfs/dbraw/zinc/87/57/35/814875735.db2.gz FWYZZSPOKKZVCM-NSHDSACASA-N -1 3 298.180 2.111 20 10 CECDHM [O-]c1c(F)cccc1CN1CCc2ccncc2C1 ZINC001138128667 815734294 /nfs/dbraw/zinc/73/42/94/815734294.db2.gz UDCYGSXZRXWHDA-UHFFFAOYSA-N -1 3 258.296 2.485 20 10 CECDHM COC(=O)C1(C)CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139683240 816081178 /nfs/dbraw/zinc/08/11/78/816081178.db2.gz JCHVEBKEXSXJOU-UHFFFAOYSA-N -1 3 299.317 2.446 20 10 CECDHM CC(C)N1CCN(Cc2ccc(Cl)cc2[O-])CC1=O ZINC001140465959 816262068 /nfs/dbraw/zinc/26/20/68/816262068.db2.gz VKDKRYAIHXVUKO-UHFFFAOYSA-N -1 3 282.771 2.098 20 10 CECDHM CCNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1[O-] ZINC001140468436 816262974 /nfs/dbraw/zinc/26/29/74/816262974.db2.gz KVRYHFGJPPWQNP-LBPRGKRZSA-N -1 3 282.771 2.146 20 10 CECDHM CCCN(CC(=O)NC)Cc1cc(Cl)cc(C)c1[O-] ZINC000179827443 368353603 /nfs/dbraw/zinc/35/36/03/368353603.db2.gz QTEZNZWKKYTQBY-UHFFFAOYSA-N -1 3 284.787 2.312 20 10 CECDHM Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c([O-])c1O ZINC000182617188 368571826 /nfs/dbraw/zinc/57/18/26/368571826.db2.gz LYLPIHOEKSFHSY-RTXFEEFZSA-N -1 3 291.347 2.094 20 10 CECDHM CCCCc1cc(NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000187042219 369091020 /nfs/dbraw/zinc/09/10/20/369091020.db2.gz ACOMUYHGODZFEN-UHFFFAOYSA-N -1 3 275.308 2.416 20 10 CECDHM O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cccc(O)c1[O-] ZINC000193138250 369898708 /nfs/dbraw/zinc/89/87/08/369898708.db2.gz HGFLDTDVMMWBPT-IIAWOOMASA-N -1 3 295.338 2.414 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@]12CCOC2 ZINC000195010968 370096111 /nfs/dbraw/zinc/09/61/11/370096111.db2.gz RHDMFLNQNWVICW-CQSZACIVSA-N -1 3 283.755 2.037 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CC(F)(F)C[C@H]1CO ZINC000364651023 372784015 /nfs/dbraw/zinc/78/40/15/372784015.db2.gz HWGPJLBVLGWBLF-JTQLQIEISA-N -1 3 277.698 2.248 20 10 CECDHM Cc1ccc(C(=O)N2CCC3(C2)CCOCC3)c([O-])c1O ZINC000272711670 373625617 /nfs/dbraw/zinc/62/56/17/373625617.db2.gz FAQKHIMYEVLJSP-UHFFFAOYSA-N -1 3 291.347 2.049 20 10 CECDHM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cnn(C)c1 ZINC000273620695 373768816 /nfs/dbraw/zinc/76/88/16/373768816.db2.gz YZIQLTDDYXBBLV-ZJUUUORDSA-N -1 3 290.323 2.446 20 10 CECDHM O=C1NC[C@@]2(CCCN(Cc3cccc(Cl)c3[O-])C2)O1 ZINC000375556963 374662317 /nfs/dbraw/zinc/66/23/17/374662317.db2.gz JNQWIBPNLRDHBA-CQSZACIVSA-N -1 3 296.754 2.120 20 10 CECDHM CN(CC1(O)CCCCCC1)C(=O)c1cccc(O)c1[O-] ZINC000280560483 375245016 /nfs/dbraw/zinc/24/50/16/375245016.db2.gz UWUBDWBAQKIOLT-UHFFFAOYSA-N -1 3 293.363 2.255 20 10 CECDHM Cc1cc(Cl)cc(CN2CC(=O)NCC2(C)C)c1[O-] ZINC000282249297 375438393 /nfs/dbraw/zinc/43/83/93/375438393.db2.gz BCAXHAPIQONDDP-UHFFFAOYSA-N -1 3 282.771 2.064 20 10 CECDHM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1CO ZINC000294526151 377995199 /nfs/dbraw/zinc/99/51/99/377995199.db2.gz CXNLMKFWZJFXPW-SCZZXKLOSA-N -1 3 273.735 2.245 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H](O)C1 ZINC000294817466 378020861 /nfs/dbraw/zinc/02/08/61/378020861.db2.gz FTCVICPDDGTZBH-VIFPVBQESA-N -1 3 259.708 2.141 20 10 CECDHM Cc1ccc(C(=O)N2CC[C@@H](O)CC(C)(C)C2)c([O-])c1O ZINC000297128192 378666145 /nfs/dbraw/zinc/66/61/45/378666145.db2.gz ZDERLNSJFAMHEZ-LLVKDONJSA-N -1 3 293.363 2.029 20 10 CECDHM Cc1ccc(CNC(=O)CN(C)Cc2ccccc2[O-])cc1 ZINC000109773398 394735489 /nfs/dbraw/zinc/73/54/89/394735489.db2.gz GUXPBHHRMCGSPV-UHFFFAOYSA-N -1 3 298.386 2.449 20 10 CECDHM O=C1CCC[C@H]1[C@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000373752174 395065664 /nfs/dbraw/zinc/06/56/64/395065664.db2.gz VQYBIOAJZRSSJX-UONOGXRCSA-N -1 3 293.338 2.101 20 10 CECDHM CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158065077 395036755 /nfs/dbraw/zinc/03/67/55/395036755.db2.gz ATDCNNDJSJGMFQ-ZDUSSCGKSA-N -1 3 282.771 2.146 20 10 CECDHM Cc1ccc2c(c1)CN(C(=O)c1cccc(O)c1[O-])CCO2 ZINC000376408399 395119400 /nfs/dbraw/zinc/11/94/00/395119400.db2.gz PIBFONCCUXEVSN-UHFFFAOYSA-N -1 3 299.326 2.441 20 10 CECDHM COCc1noc([C@H](C)N(C)Cc2ccccc2[O-])n1 ZINC000182161134 395234181 /nfs/dbraw/zinc/23/41/81/395234181.db2.gz BCKAOUFSQTUBQP-JTQLQIEISA-N -1 3 277.324 2.115 20 10 CECDHM COC[C@H]1CCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000293673618 395246965 /nfs/dbraw/zinc/24/69/65/395246965.db2.gz PAODTGVDFXEDGN-LLVKDONJSA-N -1 3 271.744 2.275 20 10 CECDHM C[C@H]1c2cccn2CCN1C(=O)c1cccc(O)c1[O-] ZINC000192971026 395398031 /nfs/dbraw/zinc/39/80/31/395398031.db2.gz KVGMPSCCPUSZND-JTQLQIEISA-N -1 3 272.304 2.116 20 10 CECDHM CCO[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C12CCC2 ZINC000187129845 262124848 /nfs/dbraw/zinc/12/48/48/262124848.db2.gz KNTVIICLYNTGCU-OLZOCXBDSA-N -1 3 291.347 2.175 20 10 CECDHM CC[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1O ZINC000294148576 265000777 /nfs/dbraw/zinc/00/07/77/265000777.db2.gz HWRJLWMOYKWSPW-AMIZOPFISA-N -1 3 273.735 2.387 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H](CO)C2)c1[O-] ZINC000363158104 267077458 /nfs/dbraw/zinc/07/74/58/267077458.db2.gz SUORNZCTCRFIDF-GFCCVEGCSA-N -1 3 295.354 2.328 20 10 CECDHM [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H](c2nnc[n-]2)C1 ZINC000378498771 329053359 /nfs/dbraw/zinc/05/33/59/329053359.db2.gz QNFXVEINFWKBJV-LLVKDONJSA-N -1 3 276.315 2.029 20 10 CECDHM [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H](c2nnc[n-]2)C1 ZINC000378498771 329053360 /nfs/dbraw/zinc/05/33/60/329053360.db2.gz QNFXVEINFWKBJV-LLVKDONJSA-N -1 3 276.315 2.029 20 10 CECDHM CCCOc1ccc(CN[C@@H](C)c2ncn(C)n2)c([O-])c1 ZINC000275389855 520371611 /nfs/dbraw/zinc/37/16/11/520371611.db2.gz ASLMEZMWLFPQNJ-NSHDSACASA-N -1 3 290.367 2.160 20 10 CECDHM COc1cc(Cl)cc(CN2CCOC[C@@H]2C)c1[O-] ZINC000228629775 522536835 /nfs/dbraw/zinc/53/68/35/522536835.db2.gz SLJNVWABOIHYTI-VIFPVBQESA-N -1 3 271.744 2.275 20 10 CECDHM Cc1cc(Cl)cc(CN2CCO[C@@H]3C[C@@H]32)c1[O-] ZINC000366564076 524867253 /nfs/dbraw/zinc/86/72/53/524867253.db2.gz ZHFSOCWFNUWYES-NWDGAFQWSA-N -1 3 253.729 2.327 20 10 CECDHM C[C@H]1OCC[C@]12CN(Cc1cc(F)ccc1[O-])C[C@@H](C)O2 ZINC000280358008 525059440 /nfs/dbraw/zinc/05/94/40/525059440.db2.gz CJWQGBYLMDNNLE-HSMVNMDESA-N -1 3 295.354 2.300 20 10 CECDHM CN(C)c1ccc(C=C2SC(=O)[N-]C2=O)cc1F ZINC000874928945 649870858 /nfs/dbraw/zinc/87/08/58/649870858.db2.gz YIQNKEBVQRVHBT-UXBLZVDNSA-N -1 3 266.297 2.216 20 10 CECDHM C[C@H](O)CN(Cc1ccccc1)C(=O)c1cc([O-])cs1 ZINC000741296652 574577559 /nfs/dbraw/zinc/57/75/59/574577559.db2.gz SKVMJEZGWKMKRH-NSHDSACASA-N -1 3 291.372 2.477 20 10 CECDHM O=C(Nc1nnc(C(F)F)s1)c1cc([O-])cs1 ZINC000731871992 574604329 /nfs/dbraw/zinc/60/43/29/574604329.db2.gz VIMGRUAGEATUQM-UHFFFAOYSA-N -1 3 277.277 2.495 20 10 CECDHM Cc1noc([C@H]2CCCN(C(=O)c3cc([O-])cs3)C2)n1 ZINC000731869728 574604387 /nfs/dbraw/zinc/60/43/87/574604387.db2.gz DAGZTZMOMOTIBW-VIFPVBQESA-N -1 3 293.348 2.165 20 10 CECDHM COCCN(Cc1ccco1)C(=O)c1cc([O-])cs1 ZINC000731868837 574605036 /nfs/dbraw/zinc/60/50/36/574605036.db2.gz ZHXURUGHSOCYAB-UHFFFAOYSA-N -1 3 281.333 2.336 20 10 CECDHM O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cc([O-])cs1 ZINC000732273241 574616928 /nfs/dbraw/zinc/61/69/28/574616928.db2.gz OCIXDOSCQOCHPD-LLVKDONJSA-N -1 3 293.348 2.082 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000732278109 574617171 /nfs/dbraw/zinc/61/71/71/574617171.db2.gz XVEJMHJHAWFSNU-SECBINFHSA-N -1 3 277.349 2.197 20 10 CECDHM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc([O-])cs1 ZINC000732276807 574617333 /nfs/dbraw/zinc/61/73/33/574617333.db2.gz RLGBXIWXFAZESJ-UHFFFAOYSA-N -1 3 292.316 2.334 20 10 CECDHM CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732353510 574619447 /nfs/dbraw/zinc/61/94/47/574619447.db2.gz RYEJRXNMZQJJNQ-QMMMGPOBSA-N -1 3 285.365 2.304 20 10 CECDHM COc1cccc([O-])c1C[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000738105914 574852044 /nfs/dbraw/zinc/85/20/44/574852044.db2.gz GFGMVMKDSBFUHQ-UHFFFAOYSA-N -1 3 279.336 2.134 20 10 CECDHM O=C(NCCCOCC1CCOCC1)c1cc([O-])cs1 ZINC000740928139 574971484 /nfs/dbraw/zinc/97/14/84/574971484.db2.gz FZUJRUTZMOSIND-UHFFFAOYSA-N -1 3 299.392 2.017 20 10 CECDHM O=C(NC[C@H](O)c1ccccc1F)c1cc([O-])cs1 ZINC000746711983 575163467 /nfs/dbraw/zinc/16/34/67/575163467.db2.gz MBRIUSIPZRWOPG-NSHDSACASA-N -1 3 281.308 2.056 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC[C@]2(CCCOC2)C1 ZINC000746894055 575164959 /nfs/dbraw/zinc/16/49/59/575164959.db2.gz DCLVKQMDLRSXQN-AWEZNQCLSA-N -1 3 281.377 2.487 20 10 CECDHM Cc1nccn1CCCN(C)C(=O)c1cc([O-])cs1 ZINC000747617611 575172621 /nfs/dbraw/zinc/17/26/21/575172621.db2.gz SEBGVLFJHNAJOI-UHFFFAOYSA-N -1 3 279.365 2.121 20 10 CECDHM O=C(OCC[C@@H]1CCCC1=O)c1cc([O-])cs1 ZINC000748187687 575179928 /nfs/dbraw/zinc/17/99/28/575179928.db2.gz FJSXWWNZSZEQQH-QMMMGPOBSA-N -1 3 254.307 2.370 20 10 CECDHM O=C(NC[C@]1(O)CCc2ccccc21)c1cc([O-])cs1 ZINC000752664104 575313255 /nfs/dbraw/zinc/31/32/55/575313255.db2.gz OKXRZVARIWWMCP-OAHLLOKOSA-N -1 3 289.356 2.018 20 10 CECDHM COCC[C@H](Cc1ccco1)NC(=O)c1cc([O-])cs1 ZINC000753473961 575327171 /nfs/dbraw/zinc/32/71/71/575327171.db2.gz DYHMMUASEJIVGB-SNVBAGLBSA-N -1 3 295.360 2.424 20 10 CECDHM C[C@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000833834178 605592219 /nfs/dbraw/zinc/59/22/19/605592219.db2.gz MVVSZLAYPMXOIY-UWVGGRQHSA-N -1 3 282.315 2.009 20 10 CECDHM C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000833834178 605592224 /nfs/dbraw/zinc/59/22/24/605592224.db2.gz MVVSZLAYPMXOIY-UWVGGRQHSA-N -1 3 282.315 2.009 20 10 CECDHM O=C(Nc1ccc2c(c1)CCC(=O)N2)c1cccc(O)c1[O-] ZINC000188164013 625225356 /nfs/dbraw/zinc/22/53/56/625225356.db2.gz IRJUDLZPCSOTDY-UHFFFAOYSA-N -1 3 298.298 2.235 20 10 CECDHM O=C(Nc1cnc(C2CC2)nc1)c1cccc(O)c1[O-] ZINC000188406383 628290098 /nfs/dbraw/zinc/29/00/98/628290098.db2.gz QGBJDRTTYCFZMS-UHFFFAOYSA-N -1 3 271.276 2.018 20 10 CECDHM CCc1nnc(CNCc2c([O-])cc(C)cc2Cl)[nH]1 ZINC000840948205 628835606 /nfs/dbraw/zinc/83/56/06/628835606.db2.gz BTYWZDQBVUDKBZ-UHFFFAOYSA-N -1 3 280.759 2.324 20 10 CECDHM CC1(C)CN(Cc2cc(F)cc(F)c2[O-])CC[C@@H]1O ZINC000894533890 629516946 /nfs/dbraw/zinc/51/69/46/629516946.db2.gz KHMMHYJNIWAGKI-LBPRGKRZSA-N -1 3 271.307 2.263 20 10 CECDHM CC[C@H]1CN(C)CCN1Cc1cc(F)cc(F)c1[O-] ZINC000894865508 629704018 /nfs/dbraw/zinc/70/40/18/629704018.db2.gz XOUFALZSVYYDOI-LBPRGKRZSA-N -1 3 270.323 2.196 20 10 CECDHM CCN1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])[C@@H](C)C1 ZINC000796314512 629840387 /nfs/dbraw/zinc/84/03/87/629840387.db2.gz GEJWCZHNSPFXSE-NSHDSACASA-N -1 3 294.370 2.260 20 10 CECDHM Cc1cc(Br)c([O-])c(CN2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895654506 630290385 /nfs/dbraw/zinc/29/03/85/630290385.db2.gz SCVFTVCRCHUXOR-GWCFXTLKSA-N -1 3 298.180 2.030 20 10 CECDHM CCC[C@@H](NCc1c([O-])cccc1Cl)C(=O)OC ZINC000897835466 631937140 /nfs/dbraw/zinc/93/71/40/631937140.db2.gz HPDIVTOSBPMVKC-LLVKDONJSA-N -1 3 271.744 2.477 20 10 CECDHM Cc1cc([O-])c(CN2CC(=O)N(CC3CC3)C2)cc1Cl ZINC000825731988 635703899 /nfs/dbraw/zinc/70/38/99/635703899.db2.gz NDULJSNRWJXLPT-UHFFFAOYSA-N -1 3 294.782 2.366 20 10 CECDHM COc1cnc(NCc2c([O-])cccc2Cl)nc1 ZINC000811837313 632452801 /nfs/dbraw/zinc/45/28/01/632452801.db2.gz CMCHLEKRRVEJHL-UHFFFAOYSA-N -1 3 265.700 2.456 20 10 CECDHM C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC[C@H]1O ZINC000816574988 633415917 /nfs/dbraw/zinc/41/59/17/633415917.db2.gz YQQODRUZYAVXDW-QPUJVOFHSA-N -1 3 273.735 2.387 20 10 CECDHM CC1(C)CN(Cc2cc(Cl)ccc2[O-])C[C@@H](CO)O1 ZINC000817413600 633651595 /nfs/dbraw/zinc/65/15/95/633651595.db2.gz ZZEVDCHJRDMAFX-LBPRGKRZSA-N -1 3 285.771 2.017 20 10 CECDHM CCC[C@H]1C(=O)NCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC000824895122 635518640 /nfs/dbraw/zinc/51/86/40/635518640.db2.gz QRYKZVNFVHVMKR-ZDUSSCGKSA-N -1 3 296.798 2.455 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@@H](C)C[C@H]2C(N)=O)cc1Cl ZINC000825568204 635666162 /nfs/dbraw/zinc/66/61/62/635666162.db2.gz UCTHENMRIFSCBL-RNCFNFMXSA-N -1 3 296.798 2.440 20 10 CECDHM [O-]c1ccc(Cl)cc1CN1CC[C@H](O)C(F)(F)C1 ZINC000826958709 636173178 /nfs/dbraw/zinc/17/31/78/636173178.db2.gz SCDNJCJXKIUQFP-NSHDSACASA-N -1 3 277.698 2.248 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCn2c(nnc2C(F)F)C1 ZINC000827898985 636454793 /nfs/dbraw/zinc/45/47/93/636454793.db2.gz XTZAYYNPQUUCNH-UHFFFAOYSA-N -1 3 298.268 2.076 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCSC[C@H]1C1CC1 ZINC000836857082 638728690 /nfs/dbraw/zinc/72/86/90/638728690.db2.gz WZVLTTIQPIWFRZ-NSHDSACASA-N -1 3 279.361 2.065 20 10 CECDHM CC(=O)Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000126215825 650474588 /nfs/dbraw/zinc/47/45/88/650474588.db2.gz TZPFKILHFQVFMJ-UHFFFAOYSA-N -1 3 286.287 2.309 20 10 CECDHM Cc1cc([O-])c(CN2CC[C@](F)(CO)C2)c(Cl)c1 ZINC000840943190 639595496 /nfs/dbraw/zinc/59/54/96/639595496.db2.gz LEKCCCYIEBEQOH-CYBMUJFWSA-N -1 3 273.735 2.260 20 10 CECDHM O=C(N[C@@H](CO)CC1CCCCC1)c1cccc(O)c1[O-] ZINC000841471247 639772102 /nfs/dbraw/zinc/77/21/02/639772102.db2.gz XSOUVZKJLDKCGD-GFCCVEGCSA-N -1 3 293.363 2.159 20 10 CECDHM CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000843039315 640246670 /nfs/dbraw/zinc/24/66/70/640246670.db2.gz PDOHKSQSTRKIGR-CMPLNLGQSA-N -1 3 279.336 2.134 20 10 CECDHM COC[C@@H](NC(=O)NCc1c([O-])cccc1F)C(C)C ZINC000920368202 641142995 /nfs/dbraw/zinc/14/29/95/641142995.db2.gz NGKGTMLEMOVKHX-GFCCVEGCSA-N -1 3 284.331 2.002 20 10 CECDHM Cc1csc(N(C)C(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000182413275 641653726 /nfs/dbraw/zinc/65/37/26/641653726.db2.gz VJUGMMJSEDYVLA-UHFFFAOYSA-N -1 3 278.333 2.448 20 10 CECDHM CC[C@H](NC(=O)NCc1c([O-])cccc1F)[C@@H]1CCCO1 ZINC000921647454 642383875 /nfs/dbraw/zinc/38/38/75/642383875.db2.gz CWGBKPCXLIPQRC-JSGCOSHPSA-N -1 3 296.342 2.288 20 10 CECDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])c(O)c1 ZINC000126574251 650776844 /nfs/dbraw/zinc/77/68/44/650776844.db2.gz PUHGLNKXXJHSGL-UHFFFAOYSA-N -1 3 259.261 2.364 20 10 CECDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)[C@@H]1CCCOC1 ZINC000921862920 642761786 /nfs/dbraw/zinc/76/17/86/642761786.db2.gz LKWZTRWDKMDMFE-GHMZBOCLSA-N -1 3 296.342 2.146 20 10 CECDHM CC1(C)CC[C@H](CNC(=O)NCc2c([O-])cccc2F)O1 ZINC000922091018 642875359 /nfs/dbraw/zinc/87/53/59/642875359.db2.gz DKVOGNFLTRHYNK-SNVBAGLBSA-N -1 3 296.342 2.288 20 10 CECDHM CC[C@H](C)CONC(=O)NCc1c([O-])cccc1F ZINC000922579060 643138506 /nfs/dbraw/zinc/13/85/06/643138506.db2.gz ORXMBZAQVBOOIN-VIFPVBQESA-N -1 3 270.304 2.308 20 10 CECDHM C[C@H](COCC1CC1)NC(=O)NCc1c([O-])cccc1F ZINC000923083900 643551754 /nfs/dbraw/zinc/55/17/54/643551754.db2.gz UEYLJGHAAWYKQK-SNVBAGLBSA-N -1 3 296.342 2.146 20 10 CECDHM C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000756380294 644639373 /nfs/dbraw/zinc/63/93/73/644639373.db2.gz GRDCNQWIGYEZNL-ZUZCIYMTSA-N -1 3 288.322 2.409 20 10 CECDHM C[C@H](C[S@](C)=O)N(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000776521223 647067984 /nfs/dbraw/zinc/06/79/84/647067984.db2.gz MTEGTTYOVKBNKL-CVJBHZAOSA-N -1 3 293.791 2.384 20 10 CECDHM CN(C)c1nccc(CNCc2cccc(Cl)c2[O-])n1 ZINC000779431965 647323432 /nfs/dbraw/zinc/32/34/32/647323432.db2.gz ISJFINSUNWPIPL-UHFFFAOYSA-N -1 3 292.770 2.191 20 10 CECDHM Cc1cccc(N(C)C(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000780943145 647483357 /nfs/dbraw/zinc/48/33/57/647483357.db2.gz AVWFERVUHAHFNE-UHFFFAOYSA-N -1 3 272.304 2.386 20 10 CECDHM C[C@H]1C[C@@H](O)CN1Cc1cccc(Br)c1[O-] ZINC000788269424 648167853 /nfs/dbraw/zinc/16/78/53/648167853.db2.gz NOUQDWOFXMRTLC-WCBMZHEXSA-N -1 3 286.169 2.110 20 10 CECDHM CCc1cccnc1NC(=O)c1cccc(O)c1[O-] ZINC000790903657 648459182 /nfs/dbraw/zinc/45/91/82/648459182.db2.gz KONCRUMSIFBIFX-UHFFFAOYSA-N -1 3 258.277 2.308 20 10 CECDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C)S1=O ZINC000792193239 648622992 /nfs/dbraw/zinc/62/29/92/648622992.db2.gz UIHPOVSKAKEJLN-NXEZZACHSA-N -1 3 287.812 2.387 20 10 CECDHM CN1CCN(Cc2cccc(F)c2[O-])Cc2cccnc21 ZINC000872266900 649334866 /nfs/dbraw/zinc/33/48/66/649334866.db2.gz GIBADZCDTFTWMR-UHFFFAOYSA-N -1 3 287.338 2.378 20 10 CECDHM C[C@H]1C[C@@H](O)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142525076 806618103 /nfs/dbraw/zinc/61/81/03/806618103.db2.gz WAKAIZQAGFHRFC-WPRPVWTQSA-N -1 3 257.280 2.016 20 10 CECDHM Cc1ccc(O)c(CNC(=O)c2ccccc2[O-])c1 ZINC001167293686 802646912 /nfs/dbraw/zinc/64/69/12/802646912.db2.gz OCUFPEZKXDYPPF-UHFFFAOYSA-N -1 3 257.289 2.336 20 10 CECDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1CCCOC1 ZINC000723839516 802943153 /nfs/dbraw/zinc/94/31/53/802943153.db2.gz JPEJGNBFKZIYIU-JQWIXIFHSA-N -1 3 279.336 2.033 20 10 CECDHM CC(=O)N1CCC2(CN(Cc3ccc(Cl)cc3[O-])C2)C1 ZINC001140465096 802947483 /nfs/dbraw/zinc/94/74/83/802947483.db2.gz IALMDDCDIURDJI-UHFFFAOYSA-N -1 3 294.782 2.100 20 10 CECDHM Cc1c[nH]c(CNCc2cccc(Br)c2[O-])n1 ZINC000693480511 802960547 /nfs/dbraw/zinc/96/05/47/802960547.db2.gz DPBYNXZZQDDZJV-UHFFFAOYSA-N -1 3 296.168 2.476 20 10 CECDHM C[C@@]1(CO)CCCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001119508287 815123155 /nfs/dbraw/zinc/12/31/55/815123155.db2.gz ZIFBZRCDHCBMMR-CQSZACIVSA-N -1 3 271.307 2.265 20 10 CECDHM Cc1nnsc1CNCc1ccc(F)c(F)c1[O-] ZINC000703393719 809649742 /nfs/dbraw/zinc/64/97/42/809649742.db2.gz BWPGMWNJAGMVGL-UHFFFAOYSA-N -1 3 271.292 2.120 20 10 CECDHM Cc1cc([O-])c(CN2CC3(CCN3C)C2)cc1Cl ZINC001276371737 810680067 /nfs/dbraw/zinc/68/00/67/810680067.db2.gz AWQWDFTVGFNJDO-UHFFFAOYSA-N -1 3 266.772 2.244 20 10 CECDHM CCCN(CCC)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001160864377 814256016 /nfs/dbraw/zinc/25/60/16/814256016.db2.gz NOQVCEOZCHODBD-UHFFFAOYSA-N -1 3 253.298 2.066 20 10 CECDHM Cc1cc2c(cn1)[C@@H](NC(=O)c1cccc(O)c1[O-])CC2 ZINC001148224875 814538291 /nfs/dbraw/zinc/53/82/91/814538291.db2.gz YJQLEWSDSOWYHH-ZDUSSCGKSA-N -1 3 284.315 2.219 20 10 CECDHM O=C(Nc1ccc(C(F)F)nc1)c1cc(O)c([O-])c(O)c1 ZINC001148580722 814590063 /nfs/dbraw/zinc/59/00/63/814590063.db2.gz KYTQWOQKVABOKI-UHFFFAOYSA-N -1 3 296.229 2.388 20 10 CECDHM O=C(NCc1cccc2cc[nH]c21)c1cc(O)c([O-])c(O)c1 ZINC001148590358 814591822 /nfs/dbraw/zinc/59/18/22/814591822.db2.gz IMRWEJCVESKNIS-UHFFFAOYSA-N -1 3 298.298 2.215 20 10 CECDHM CC[C@H](C)C[C@@H](C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589791 814592030 /nfs/dbraw/zinc/59/20/30/814592030.db2.gz LGLKJUGZWJSRSH-DTWKUNHWSA-N -1 3 267.325 2.358 20 10 CECDHM C[C@@H]1CCN(Cc2c([O-])c(F)ccc2F)C[C@@]1(C)O ZINC001139685687 816081556 /nfs/dbraw/zinc/08/15/56/816081556.db2.gz SSSJWQAAJDGPCJ-YMTOWFKASA-N -1 3 271.307 2.263 20 10 CECDHM Cc1noc([C@@H]2CCN(Cc3c(F)ccc(F)c3[O-])C2)n1 ZINC001139686283 816083748 /nfs/dbraw/zinc/08/37/48/816083748.db2.gz SDKSAOFMHQNCPC-SECBINFHSA-N -1 3 295.289 2.351 20 10 CECDHM [O-]c1ccc(F)cc1CN1CCO[C@H](c2ccccn2)C1 ZINC001140058976 816180532 /nfs/dbraw/zinc/18/05/32/816180532.db2.gz RVDWSPUPYFAFRB-INIZCTEOSA-N -1 3 288.322 2.500 20 10 CECDHM [O-]c1cc(Cl)ccc1CN(C1CC1)C1COC1 ZINC001140464721 816260640 /nfs/dbraw/zinc/26/06/40/816260640.db2.gz AYLVURSBXHIXOA-UHFFFAOYSA-N -1 3 253.729 2.409 20 10 CECDHM [O-]c1cc(F)cc(F)c1CN1CCCC[C@@H]1CO ZINC001140579937 816289474 /nfs/dbraw/zinc/28/94/74/816289474.db2.gz NCKYOYLNUIINSK-SNVBAGLBSA-N -1 3 257.280 2.017 20 10 CECDHM COC(=O)[C@@H]1CCCN(Cc2c([O-])cc(F)cc2F)[C@H]1C ZINC001140583945 816293821 /nfs/dbraw/zinc/29/38/21/816293821.db2.gz ZQKNGUKDZDVGNK-GXSJLCMTSA-N -1 3 299.317 2.444 20 10 CECDHM CCCN1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142524842 816680405 /nfs/dbraw/zinc/68/04/05/816680405.db2.gz MWECLJSMFPQUNF-UHFFFAOYSA-N -1 3 270.323 2.198 20 10 CECDHM COCCCN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000062032675 362702233 /nfs/dbraw/zinc/70/22/33/362702233.db2.gz UDMLZLFLGMXWOB-UHFFFAOYSA-N -1 3 269.316 2.202 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2C2CC2)c1[O-] ZINC000090007402 364031816 /nfs/dbraw/zinc/03/18/16/364031816.db2.gz AXFVEDGZAXPIOJ-HNNXBMFYSA-N -1 3 293.338 2.345 20 10 CECDHM CC(C)CN1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000160229555 366984559 /nfs/dbraw/zinc/98/45/59/366984559.db2.gz ROVGIKHZXGTOMS-UHFFFAOYSA-N -1 3 266.360 2.305 20 10 CECDHM [O-]c1ccc(F)cc1CN(CCCO)CC(F)(F)F ZINC000180066592 368366699 /nfs/dbraw/zinc/36/66/99/368366699.db2.gz QCGWQKPYIPYBJS-UHFFFAOYSA-N -1 3 281.249 2.278 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2[C@H](C)O)c1[O-] ZINC000267473896 372073767 /nfs/dbraw/zinc/07/37/67/372073767.db2.gz ZTKPVPCNOKJBIP-XHDPSFHLSA-N -1 3 295.354 2.469 20 10 CECDHM CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000189412289 284323910 /nfs/dbraw/zinc/32/39/10/284323910.db2.gz QAVQWWOZQSWLPO-IUCAKERBSA-N -1 3 286.322 2.188 20 10 CECDHM Cc1ccc(C(=O)N2Cc3ccccc3CO2)c([O-])c1O ZINC000366223543 373009196 /nfs/dbraw/zinc/00/91/96/373009196.db2.gz YNHWHDSCXLAINB-UHFFFAOYSA-N -1 3 285.299 2.494 20 10 CECDHM COC(=O)[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000271097751 373116434 /nfs/dbraw/zinc/11/64/34/373116434.db2.gz NQMNYWJIXHAOIP-VIFPVBQESA-N -1 3 269.728 2.041 20 10 CECDHM CC(=O)N1CCN(Cc2cc(Cl)cc(C)c2[O-])[C@@H](C)C1 ZINC000271817209 373204970 /nfs/dbraw/zinc/20/49/70/373204970.db2.gz MUHBQHNRDHYCHM-NSHDSACASA-N -1 3 296.798 2.407 20 10 CECDHM CCOC(=O)N1CC[C@@H](NCc2c([O-])cccc2Cl)C1 ZINC000274592635 373976117 /nfs/dbraw/zinc/97/61/17/373976117.db2.gz NROYETQXYBKBGN-SNVBAGLBSA-N -1 3 298.770 2.366 20 10 CECDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000373498538 374367194 /nfs/dbraw/zinc/36/71/94/374367194.db2.gz ZLLCVKPGRLYJJS-XHDPSFHLSA-N -1 3 297.782 2.425 20 10 CECDHM C[C@@]1(O)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294151041 377920526 /nfs/dbraw/zinc/92/05/26/377920526.db2.gz HZBQKMDNUDLUAX-GFCCVEGCSA-N -1 3 259.708 2.141 20 10 CECDHM CCCCN(CC(N)=O)Cc1cc(Cl)c(F)cc1[O-] ZINC000295246512 378068576 /nfs/dbraw/zinc/06/85/76/378068576.db2.gz FMZBEGHOOWXAGB-UHFFFAOYSA-N -1 3 288.750 2.272 20 10 CECDHM C[C@@H](NCc1nnc(C2CC2)[nH]1)c1ccc(F)cc1[O-] ZINC000296365742 378505863 /nfs/dbraw/zinc/50/58/63/378505863.db2.gz IYNXREODYXLYKX-MRVPVSSYSA-N -1 3 276.315 2.378 20 10 CECDHM CCN(Cc1cc(Br)ccc1[O-])C(N)=O ZINC000174038436 395118646 /nfs/dbraw/zinc/11/86/46/395118646.db2.gz JJXYFLWZSBHNJB-UHFFFAOYSA-N -1 3 273.130 2.055 20 10 CECDHM C[C@@H](O)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293490057 395236464 /nfs/dbraw/zinc/23/64/64/395236464.db2.gz ANGJQGKKWDAVBM-RKDXNWHRSA-N -1 3 273.735 2.387 20 10 CECDHM CC(C)(C)C(=O)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179556325 395195685 /nfs/dbraw/zinc/19/56/85/395195685.db2.gz RYRMOCIRTUTUQZ-UHFFFAOYSA-N -1 3 276.380 2.083 20 10 CECDHM C[C@H](NCc1ncn(C)n1)c1cc(Cl)ccc1[O-] ZINC000186214028 262084679 /nfs/dbraw/zinc/08/46/79/262084679.db2.gz ROMWEEJVIWZENA-QMMMGPOBSA-N -1 3 266.732 2.025 20 10 CECDHM CCOCCOC1CN(Cc2c([O-])cccc2Cl)C1 ZINC000272439893 263004383 /nfs/dbraw/zinc/00/43/83/263004383.db2.gz SUWYXAFITQUBRE-UHFFFAOYSA-N -1 3 285.771 2.283 20 10 CECDHM C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276947809 263038907 /nfs/dbraw/zinc/03/89/07/263038907.db2.gz QJPSZPUQWBWUON-SVGQVSJJSA-N -1 3 285.212 2.244 20 10 CECDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H](CO)C1 ZINC000294333699 265011245 /nfs/dbraw/zinc/01/12/45/265011245.db2.gz ABPDFIMQMDJQFL-SECBINFHSA-N -1 3 273.735 2.389 20 10 CECDHM Cc1ccc(C(=O)N2CCCO[C@@H]3CCC[C@@H]32)c([O-])c1O ZINC000370367079 267312282 /nfs/dbraw/zinc/31/22/82/267312282.db2.gz SMGUPWYCTNZNAZ-QWHCGFSZSA-N -1 3 291.347 2.190 20 10 CECDHM CC1(C)[C@H](NC(=O)c2cccc(O)c2[O-])[C@H]2CCCO[C@@H]21 ZINC000370498572 267323841 /nfs/dbraw/zinc/32/38/41/267323841.db2.gz HQOCBVIREAQORZ-HONMWMINSA-N -1 3 291.347 2.031 20 10 CECDHM CC(C)C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000279800890 275590530 /nfs/dbraw/zinc/59/05/30/275590530.db2.gz JSRXZQFCXUNGMN-NWDGAFQWSA-N -1 3 293.363 2.421 20 10 CECDHM COc1c([O-])c(CNCc2nccs2)ccc1[N+](=O)[O-] ZINC000278953998 328232224 /nfs/dbraw/zinc/23/22/24/328232224.db2.gz ZWMBLYVCBSRZDH-UHFFFAOYSA-N -1 3 295.320 2.055 20 10 CECDHM Cc1ccc(C(=O)N2CC3(C2)CCCC3)c([O-])c1O ZINC000368419601 328938271 /nfs/dbraw/zinc/93/82/71/328938271.db2.gz MTLYUWJXWAVEML-UHFFFAOYSA-N -1 3 261.321 2.422 20 10 CECDHM Cc1ccc(C(=O)N2CCn3cccc3[C@H]2C)c([O-])c1O ZINC000177668811 329188715 /nfs/dbraw/zinc/18/87/15/329188715.db2.gz SBPIMUFUZGAASP-LLVKDONJSA-N -1 3 286.331 2.425 20 10 CECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc([O-])c1 ZINC000182530261 329242662 /nfs/dbraw/zinc/24/26/62/329242662.db2.gz OCWQSJIZVCUMAX-UHFFFAOYSA-N -1 3 298.342 2.497 20 10 CECDHM CC[C@@H](N[C@H](C)c1ncn(C)n1)c1ccccc1[O-] ZINC000275720049 334793904 /nfs/dbraw/zinc/79/39/04/334793904.db2.gz NOWIRKOPFMWTEA-ZYHUDNBSSA-N -1 3 260.341 2.323 20 10 CECDHM CSC[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193138657 533750011 /nfs/dbraw/zinc/75/00/11/533750011.db2.gz CDDJMWCIRSYPNC-VIFPVBQESA-N -1 3 267.350 2.065 20 10 CECDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](C)[C@@H]2C)c1[O-] ZINC000156367781 518287480 /nfs/dbraw/zinc/28/74/80/518287480.db2.gz RFURAEGLFNIJKG-GXSJLCMTSA-N -1 3 281.327 2.343 20 10 CECDHM CCOCc1nc([C@@H](C)NCc2ccccc2[O-])no1 ZINC000291667414 520217346 /nfs/dbraw/zinc/21/73/46/520217346.db2.gz VYYHRAPDHXUOLS-SNVBAGLBSA-N -1 3 277.324 2.163 20 10 CECDHM COC[C@H]1CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000293518873 522853040 /nfs/dbraw/zinc/85/30/40/522853040.db2.gz AWLYUGVZEFEBKF-SECBINFHSA-N -1 3 259.708 2.405 20 10 CECDHM COC[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000275876572 522870286 /nfs/dbraw/zinc/87/02/86/522870286.db2.gz ATGVBTCDJBRBAD-WDEREUQCSA-N -1 3 285.771 2.281 20 10 CECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ccc[nH]1 ZINC000279660374 526772291 /nfs/dbraw/zinc/77/22/91/526772291.db2.gz XRVNEWRJYNRFBT-LBPRGKRZSA-N -1 3 272.304 2.403 20 10 CECDHM O=C1CCCN1[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000276856049 526978989 /nfs/dbraw/zinc/97/89/89/526978989.db2.gz VYZYEHOQUHTYGC-GFCCVEGCSA-N -1 3 294.782 2.242 20 10 CECDHM Cc1nc(CNC(=O)c2cc([O-])cs2)cs1 ZINC000731871347 574604437 /nfs/dbraw/zinc/60/44/37/574604437.db2.gz CHPYBACFDHXLDN-UHFFFAOYSA-N -1 3 254.336 2.149 20 10 CECDHM CC(C)COCCCNC(=O)c1cc([O-])cs1 ZINC000731867737 574604849 /nfs/dbraw/zinc/60/48/49/574604849.db2.gz RVXDVWKCNJMNJO-UHFFFAOYSA-N -1 3 257.355 2.246 20 10 CECDHM O=C(NC[C@H]1Cc2ccccc2O1)c1cc([O-])cs1 ZINC000731869137 574604866 /nfs/dbraw/zinc/60/48/66/574604866.db2.gz MRRUFONENKFFEK-LLVKDONJSA-N -1 3 275.329 2.187 20 10 CECDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NC1CCCCC1 ZINC000731912601 574605873 /nfs/dbraw/zinc/60/58/73/574605873.db2.gz UPRAFYKZVQXJIQ-SECBINFHSA-N -1 3 297.376 2.448 20 10 CECDHM O=C(NCCc1ccccc1O)c1cc([O-])cs1 ZINC000732274535 574617321 /nfs/dbraw/zinc/61/73/21/574617321.db2.gz QLGVQUMDKOUDDD-UHFFFAOYSA-N -1 3 263.318 2.132 20 10 CECDHM COC(=O)c1cc(COC(=O)c2cc([O-])cs2)oc1C ZINC000732354068 574619466 /nfs/dbraw/zinc/61/94/66/574619466.db2.gz ZCMRHJBOMOTOIN-UHFFFAOYSA-N -1 3 296.300 2.499 20 10 CECDHM CCC(CC)NC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732355792 574619696 /nfs/dbraw/zinc/61/96/96/574619696.db2.gz UGFHLZGWUMFWOZ-QMMMGPOBSA-N -1 3 285.365 2.304 20 10 CECDHM O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1cc([O-])cs1 ZINC000735519530 574761504 /nfs/dbraw/zinc/76/15/04/574761504.db2.gz BSVKZHXNHMFKON-UHFFFAOYSA-N -1 3 286.316 2.491 20 10 CECDHM CN(Cc1ccoc1C(=O)[O-])Cc1ccccc1O ZINC000737494556 574836013 /nfs/dbraw/zinc/83/60/13/574836013.db2.gz UKRMATCUCXPTIT-UHFFFAOYSA-N -1 3 261.277 2.315 20 10 CECDHM CCOC(=O)c1cc(NC(=O)c2cc([O-])cs2)cn1C ZINC000743783287 575109475 /nfs/dbraw/zinc/10/94/75/575109475.db2.gz DASAWSRWWWGUPM-UHFFFAOYSA-N -1 3 294.332 2.221 20 10 CECDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000749296939 575212539 /nfs/dbraw/zinc/21/25/39/575212539.db2.gz IJEIFDSNLQICEB-MNOVXSKESA-N -1 3 281.377 2.342 20 10 CECDHM CN1CC(=O)N[C@H]1c1cc(-c2ccccc2)ccc1[O-] ZINC000749702888 575230165 /nfs/dbraw/zinc/23/01/65/575230165.db2.gz VPZJVGZETSPKMW-MRXNPFEDSA-N -1 3 268.316 2.119 20 10 CECDHM CCOC(=O)c1ccc(CNC(=O)c2cc([O-])cs2)o1 ZINC000752815793 575315361 /nfs/dbraw/zinc/31/53/61/575315361.db2.gz KTLMPZPUZUQYCE-UHFFFAOYSA-N -1 3 295.316 2.153 20 10 CECDHM CCOc1ccc(C[NH2+][C@@H](CC(C)C)C(=O)[O-])c([O-])c1 ZINC000820386942 598209067 /nfs/dbraw/zinc/20/90/67/598209067.db2.gz BYVWHLRUJYODNP-ZDUSSCGKSA-N -1 3 281.352 2.380 20 10 CECDHM C[C@@H]([NH2+]C1CCN(C(=O)[O-])CC1)c1ccccc1[O-] ZINC000827727221 604287837 /nfs/dbraw/zinc/28/78/37/604287837.db2.gz HFDDPYLQSUQZGH-SNVBAGLBSA-N -1 3 264.325 2.185 20 10 CECDHM CC(C)N(Cc1cc(F)cc(F)c1[O-])C1COC1 ZINC000894868874 629707329 /nfs/dbraw/zinc/70/73/29/629707329.db2.gz KEEKKPQFAZIPDT-UHFFFAOYSA-N -1 3 257.280 2.280 20 10 CECDHM Cn1cc(CNCc2c([O-])cccc2F)c(Cl)n1 ZINC000896641121 630623090 /nfs/dbraw/zinc/62/30/90/630623090.db2.gz KPXKQXOLLPASCK-UHFFFAOYSA-N -1 3 269.707 2.208 20 10 CECDHM CC(C)(O)c1cnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC000811619077 632408999 /nfs/dbraw/zinc/40/89/99/632408999.db2.gz PJNDTKDHGYJBQS-UHFFFAOYSA-N -1 3 294.332 2.034 20 10 CECDHM O=C(NC[C@H]1CCC2(CCC2)CO1)c1cccc(O)c1[O-] ZINC000899465295 632869205 /nfs/dbraw/zinc/86/92/05/632869205.db2.gz CQVTYPVMLGDLDX-LLVKDONJSA-N -1 3 291.347 2.177 20 10 CECDHM O=S1CCN(Cc2ccc3ccccc3c2[O-])CC1 ZINC000816504515 633403314 /nfs/dbraw/zinc/40/33/14/633403314.db2.gz PYNCCQMMKOXJPR-UHFFFAOYSA-N -1 3 275.373 2.110 20 10 CECDHM CC1(C)CN(Cc2cc(Cl)ccc2[O-])C[C@H](CO)O1 ZINC000817413599 633651853 /nfs/dbraw/zinc/65/18/53/633651853.db2.gz ZZEVDCHJRDMAFX-GFCCVEGCSA-N -1 3 285.771 2.017 20 10 CECDHM [O-]c1c(Br)cccc1CNCc1cc[nH]n1 ZINC000042412612 633975075 /nfs/dbraw/zinc/97/50/75/633975075.db2.gz PIOFADHCTGDOQS-UHFFFAOYSA-N -1 3 282.141 2.168 20 10 CECDHM COc1nn(C)cc1CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000903339266 635068989 /nfs/dbraw/zinc/06/89/89/635068989.db2.gz XNGIMMRHZPHXSX-MRVPVSSYSA-N -1 3 297.305 2.263 20 10 CECDHM Cc1cc([O-])c(CN2CCNC(=O)[C@H]2C(C)C)cc1Cl ZINC000824709914 635482970 /nfs/dbraw/zinc/48/29/70/635482970.db2.gz QRNWTTDHUBDZLK-CQSZACIVSA-N -1 3 296.798 2.310 20 10 CECDHM Cc1cc([O-])c(CNCc2nc(N(C)C)no2)cc1Cl ZINC000825543439 635658996 /nfs/dbraw/zinc/65/89/96/635658996.db2.gz VYGDDNKBPYAVGU-UHFFFAOYSA-N -1 3 296.758 2.093 20 10 CECDHM O=C(C[C@@H]1CC[C@H](C2CC2)O1)NCc1c([O-])cccc1F ZINC000830180084 637001276 /nfs/dbraw/zinc/00/12/76/637001276.db2.gz GZCBMIQHLKFUGG-XHDPSFHLSA-N -1 3 293.338 2.495 20 10 CECDHM CC(C)[C@H](CO)[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000834053061 637757297 /nfs/dbraw/zinc/75/72/97/637757297.db2.gz LQDAPRWLXUMKSF-JSGCOSHPSA-N -1 3 295.379 2.117 20 10 CECDHM CCN(Cc1cnn(C)c1)Cc1ccc(F)c(F)c1[O-] ZINC000876634743 650368953 /nfs/dbraw/zinc/36/89/53/650368953.db2.gz APRKYGOFXRXCSV-UHFFFAOYSA-N -1 3 281.306 2.426 20 10 CECDHM O=C(NCCCOc1ccccc1)c1cccc(O)c1[O-] ZINC000126382992 650608368 /nfs/dbraw/zinc/60/83/68/650608368.db2.gz AAEFADHYXWXRLN-UHFFFAOYSA-N -1 3 287.315 2.297 20 10 CECDHM Cc1ccc(C(=O)Nc2cccnc2C)c([O-])c1O ZINC000182540026 641672265 /nfs/dbraw/zinc/67/22/65/641672265.db2.gz AUFXAFYNOIMVET-UHFFFAOYSA-N -1 3 258.277 2.362 20 10 CECDHM CC(C)(C)n1cc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000187038227 643451026 /nfs/dbraw/zinc/45/10/26/643451026.db2.gz DWIXCBKVUCDHAQ-UHFFFAOYSA-N -1 3 275.308 2.302 20 10 CECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cocn2)c1 ZINC000756830970 644697268 /nfs/dbraw/zinc/69/72/68/644697268.db2.gz JOOWTTUKQFUSTM-VIFPVBQESA-N -1 3 276.292 2.018 20 10 CECDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(CO)CC1 ZINC000775648515 646976179 /nfs/dbraw/zinc/97/61/79/646976179.db2.gz VWRBCTNRCPWUNO-UHFFFAOYSA-N -1 3 273.735 2.389 20 10 CECDHM C[C@@H](NCc1cc(C(N)=O)co1)c1cc(F)cc(F)c1[O-] ZINC000779069756 647285842 /nfs/dbraw/zinc/28/58/42/647285842.db2.gz ZKYJHDHTSRKMJW-SSDOTTSWSA-N -1 3 296.273 2.213 20 10 CECDHM C[C@H]1CCN(Cc2c([O-])cccc2Cl)[C@H](C(N)=O)C1 ZINC000779200497 647297033 /nfs/dbraw/zinc/29/70/33/647297033.db2.gz HDEMKOMTPINKBZ-CABZTGNLSA-N -1 3 282.771 2.131 20 10 CECDHM Cc1ccc(C(=O)Nc2c[nH]c(=O)c(C)c2)c([O-])c1O ZINC000780996027 647489583 /nfs/dbraw/zinc/48/95/83/647489583.db2.gz SVXPECREFQXGCK-UHFFFAOYSA-N -1 3 274.276 2.068 20 10 CECDHM CCN(Cc1cn(C)nn1)Cc1cc(Cl)ccc1[O-] ZINC000781928810 647572481 /nfs/dbraw/zinc/57/24/81/647572481.db2.gz FIOUZAQJWKYUSI-UHFFFAOYSA-N -1 3 280.759 2.196 20 10 CECDHM C[C@@H](N[C@@H](C)c1ccnn1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866615285 647842335 /nfs/dbraw/zinc/84/23/35/647842335.db2.gz TYZSFRZYFFKMPI-ZJUUUORDSA-N -1 3 290.323 2.446 20 10 CECDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])C1CCOCC1 ZINC000790827577 648454275 /nfs/dbraw/zinc/45/42/75/648454275.db2.gz UVLGULKIKFEDRI-LBPRGKRZSA-N -1 3 279.336 2.033 20 10 CECDHM CSc1cc(NC(=O)c2cccc(O)c2[O-])ccn1 ZINC000790912645 648460166 /nfs/dbraw/zinc/46/01/66/648460166.db2.gz XGDGBUJEELSFFB-UHFFFAOYSA-N -1 3 276.317 2.467 20 10 CECDHM C[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)[C@@H]1CO ZINC000792181186 648620766 /nfs/dbraw/zinc/62/07/66/648620766.db2.gz XPCJLWNDQXWDIH-LDYMZIIASA-N -1 3 273.735 2.387 20 10 CECDHM CCN1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000131704362 652452917 /nfs/dbraw/zinc/45/29/17/652452917.db2.gz YUNQXEWZWAVHQR-UHFFFAOYSA-N -1 3 299.212 2.292 20 10 CECDHM