smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CCC[C@@](NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)(C(=O)[O-])C1 ZINC000908847182 939335303 /nfs/dbraw/zinc/33/53/03/939335303.db2.gz KPDZUASZJVWGEU-GCJKJVERSA-N -1 3 387.524 3.374 10 0 GGAEHM O=C([O-])[C@H](NC(=O)NCC1(N2CCSCC2)CCCC1)C1CCCCCC1 ZINC000908850050 939336082 /nfs/dbraw/zinc/33/60/82/939336082.db2.gz VUCVQZZERBDGRU-QGZVFWFLSA-N -1 3 397.585 3.071 10 0 GGAEHM CC1(C)CCC[C@@](NC(=O)NCC2(N3CCSCC3)CCCC2)(C(=O)[O-])C1 ZINC000908851164 939336483 /nfs/dbraw/zinc/33/64/83/939336483.db2.gz GBTCUHGPQVKAGH-FQEVSTJZSA-N -1 3 397.585 3.071 10 0 GGAEHM Cc1ccc([C@@H](CNC(=O)N[C@@H](C(=O)[O-])C2CCCCCC2)N(C)C)cc1 ZINC000908858574 939338668 /nfs/dbraw/zinc/33/86/68/939338668.db2.gz JKMUCMOXMPJXIA-RTBURBONSA-N -1 3 375.513 3.321 10 0 GGAEHM C[C@@H](CNC(=O)N[C@@]1(C(=O)[O-])CCCC(C)(C)C1)N(C)Cc1ccccc1 ZINC000908988993 939366987 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/nfs/dbraw/zinc/16/34/21/205163421.db2.gz VKAFEWCUPLOBIO-GOSISDBHSA-N -1 3 384.476 3.038 10 0 GGAEHM Cc1nc(C)c(CC(=O)Nc2cccc(C3SCCCS3)c2)c(=O)[n-]1 ZINC000058167772 205166261 /nfs/dbraw/zinc/16/62/61/205166261.db2.gz WQYQUSZVCMFAKL-UHFFFAOYSA-N -1 3 375.519 3.437 10 0 GGAEHM CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)CC)C[C@H]1c1ccco1 ZINC000060101660 205180037 /nfs/dbraw/zinc/18/00/37/205180037.db2.gz YEJJXZPJLGGGRG-INIZCTEOSA-N -1 3 375.450 3.129 10 0 GGAEHM O=C(Cc1ccc(S(=O)(=O)[N-]C2CCCCCCC2)s1)N1CCCC1 ZINC000064919587 205200436 /nfs/dbraw/zinc/20/04/36/205200436.db2.gz VBVKPUMASWBNLT-UHFFFAOYSA-N -1 3 384.567 3.304 10 0 GGAEHM CCCNC(=O)N1CCC[C@H]1c1nnc(C(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000064930839 205201121 /nfs/dbraw/zinc/20/11/21/205201121.db2.gz ZVBAYARQHFDAMB-ZDUSSCGKSA-N -1 3 395.435 3.325 10 0 GGAEHM CC[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCCC3)s2)cs1 ZINC000065117127 205211534 /nfs/dbraw/zinc/21/15/34/205211534.db2.gz WUKNVRZUUVHVON-UHFFFAOYSA-N -1 3 399.563 3.104 10 0 GGAEHM CCCn1cc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)c2cccnc21 ZINC000065163220 205214552 /nfs/dbraw/zinc/21/45/52/205214552.db2.gz YNCHCLMPUDYRPZ-UHFFFAOYSA-N -1 3 379.432 3.246 10 0 GGAEHM Cc1ccc(CC(=O)Nc2ccc(N3CCCN(C)CC3)cc2C(=O)[O-])cc1 ZINC000064589195 205192684 /nfs/dbraw/zinc/19/26/84/205192684.db2.gz XZJNKEGBFAIHBB-UHFFFAOYSA-N -1 3 381.476 3.016 10 0 GGAEHM CCc1csc(-c2ccc(S(=O)(=O)[N-]CCN3CCC(C)CC3)s2)n1 ZINC000064755856 205193862 /nfs/dbraw/zinc/19/38/62/205193862.db2.gz HKSOCLUIFRXGLQ-UHFFFAOYSA-N -1 3 399.607 3.444 10 0 GGAEHM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3C)ccc21 ZINC000064861878 205198517 /nfs/dbraw/zinc/19/85/17/205198517.db2.gz ZLEVLIUPSSROQG-UHFFFAOYSA-N -1 3 391.468 3.417 10 0 GGAEHM O=C([N-]c1ccc(F)cc1)c1nc(-c2cn(-c3cccc(Cl)c3)nn2)no1 ZINC000065236786 205221517 /nfs/dbraw/zinc/22/15/17/205221517.db2.gz HBBQDCJHBGNFOT-UHFFFAOYSA-N -1 3 384.758 3.362 10 0 GGAEHM Cc1cc(C)cc(N2CC[C@H]([N-]S(=O)(=O)Cc3cccc(Cl)c3)C2=O)c1 ZINC000065229323 205220609 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ZINC000114499567 565075042 /nfs/dbraw/zinc/07/50/42/565075042.db2.gz PMPGWJRPWVBOPI-UHFFFAOYSA-N -1 3 389.271 3.048 10 0 GGAEHM CCc1cnc(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)s1 ZINC000156431048 565086608 /nfs/dbraw/zinc/08/66/08/565086608.db2.gz RNCQWDPDDHPCIT-UHFFFAOYSA-N -1 3 393.303 3.128 10 0 GGAEHM C[C@@H]1C[C@H](N(C)C(=O)c2c([O-])cnc3c(Br)cccc32)CCN1C ZINC000292013390 565091976 /nfs/dbraw/zinc/09/19/76/565091976.db2.gz UQYVPGGDVYDGDH-VXGBXAGGSA-N -1 3 392.297 3.258 10 0 GGAEHM C[C@@H]1C[C@@H](N(C)C(=O)c2c([O-])cnc3c(Br)cccc32)CCN1C ZINC000292013378 565092573 /nfs/dbraw/zinc/09/25/73/565092573.db2.gz UQYVPGGDVYDGDH-NEPJUHHUSA-N -1 3 392.297 3.258 10 0 GGAEHM CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)CC2 ZINC000369577197 565100882 /nfs/dbraw/zinc/10/08/82/565100882.db2.gz FXSYQSCOMGLQIC-LBPRGKRZSA-N -1 3 392.297 3.423 10 0 GGAEHM CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000369577197 565100884 /nfs/dbraw/zinc/10/08/84/565100884.db2.gz FXSYQSCOMGLQIC-LBPRGKRZSA-N 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/nfs/dbraw/zinc/13/09/58/565130958.db2.gz DWVSRRJCWQAWFP-PRHODGIISA-N -1 3 378.397 3.048 10 0 GGAEHM O=S(=O)([N-]C1CCN(CCC(Cl)(Cl)Cl)CC1)c1cccs1 ZINC000184404615 565133573 /nfs/dbraw/zinc/13/35/73/565133573.db2.gz BQSLQPSTRIWOHG-UHFFFAOYSA-N -1 3 391.773 3.251 10 0 GGAEHM COc1ccc(Cl)c(S(=O)(=O)[N-]C2CCC(c3nc(C)no3)CC2)c1 ZINC000370292424 565136880 /nfs/dbraw/zinc/13/68/80/565136880.db2.gz XXDGQXFDUOSSOM-UHFFFAOYSA-N -1 3 385.873 3.045 10 0 GGAEHM COc1cc(/C=C/C(=O)N2CC[C@]3(C2)CCCOC3)cc(Br)c1[O-] ZINC000370613609 565151495 /nfs/dbraw/zinc/15/14/95/565151495.db2.gz DAGRLWWSGDDMQN-WHLIDYPQSA-N -1 3 396.281 3.206 10 0 GGAEHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccc2c(c1)OCO2 ZINC000158060720 565154085 /nfs/dbraw/zinc/15/40/85/565154085.db2.gz RAQSFKVKBRFAQY-JTQLQIEISA-N -1 3 393.237 3.444 10 0 GGAEHM O=c1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c2ccccc2[nH]1 ZINC000158047038 565154268 /nfs/dbraw/zinc/15/42/68/565154268.db2.gz MLALGZAQMNZTDD-UHFFFAOYSA-N -1 3 383.256 3.313 10 0 GGAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C12CCOCC2 ZINC000185156089 565181735 /nfs/dbraw/zinc/18/17/35/565181735.db2.gz JGSNNZUSMFYAHV-GJZGRUSLSA-N -1 3 394.320 3.246 10 0 GGAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C12CCOCC2 ZINC000185152136 565182620 /nfs/dbraw/zinc/18/26/20/565182620.db2.gz QFCBNMNXLUZEDM-ZIAGYGMSSA-N -1 3 394.320 3.246 10 0 GGAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1C[C@@H]1c1ccccc1 ZINC000158821715 565183329 /nfs/dbraw/zinc/18/33/29/565183329.db2.gz ZBHLMAWVLJUKEA-UKRRQHHQSA-N -1 3 379.865 3.209 10 0 GGAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000158821850 565183673 /nfs/dbraw/zinc/18/36/73/565183673.db2.gz ZBHLMAWVLJUKEA-ZFWWWQNUSA-N -1 3 379.865 3.209 10 0 GGAEHM C[C@@H]1CN(C(=O)c2c[n-]c3ccc(I)cc3c2=O)[C@H]1C ZINC000293901708 565189840 /nfs/dbraw/zinc/18/98/40/565189840.db2.gz CAKMEYAWRMWICP-BDAKNGLRSA-N -1 3 382.201 3.025 10 0 GGAEHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]2C)cc1Br ZINC000159639710 565213668 /nfs/dbraw/zinc/21/36/68/565213668.db2.gz XHNRZHPDKRKNJE-GMSGAONNSA-N -1 3 383.105 3.207 10 0 GGAEHM Cc1ccc(CCC(=O)Nc2cc(-c3nccn3C)[n-]n2)c(Br)c1 ZINC000185799634 565221901 /nfs/dbraw/zinc/22/19/01/565221901.db2.gz NABMLKLAYJMKFZ-UHFFFAOYSA-N -1 3 388.269 3.452 10 0 GGAEHM Cc1ccc(CCC(=O)Nc2cc(-c3nccn3C)n[n-]2)c(Br)c1 ZINC000185799634 565221903 /nfs/dbraw/zinc/22/19/03/565221903.db2.gz NABMLKLAYJMKFZ-UHFFFAOYSA-N -1 3 388.269 3.452 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCC[C@H]1CCCCO1 ZINC000186158232 565243365 /nfs/dbraw/zinc/24/33/65/565243365.db2.gz FXZRRPHOWXVULI-CYBMUJFWSA-N -1 3 392.315 3.085 10 0 GGAEHM O=S(=O)([N-]Cc1ncc(-c2ccccc2)cn1)c1ccc(Cl)cc1F ZINC000186180004 565245111 /nfs/dbraw/zinc/24/51/11/565245111.db2.gz WYDFPVRIHXPELN-UHFFFAOYSA-N -1 3 377.828 3.415 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]CCc2nn(C)c3ccccc23)c(Cl)cc1F ZINC000186187164 565246149 /nfs/dbraw/zinc/24/61/49/565246149.db2.gz CGEWIZRLDOQVLN-UHFFFAOYSA-N -1 3 381.860 3.195 10 0 GGAEHM O=S(=O)([N-][C@@H](c1nc[nH]n1)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000372591188 565246686 /nfs/dbraw/zinc/24/66/86/565246686.db2.gz HAHHCZQMEFJZFZ-CQSZACIVSA-N -1 3 383.260 3.179 10 0 GGAEHM Cc1n[nH]cc1CCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000295148952 565248231 /nfs/dbraw/zinc/24/82/31/565248231.db2.gz ABARAOZZJQCUHO-UHFFFAOYSA-N -1 3 392.706 3.045 10 0 GGAEHM COCCn1nc(C)c(NCc2cc(Br)c([O-])c(OC)c2)c1C ZINC000186260099 565249911 /nfs/dbraw/zinc/24/99/11/565249911.db2.gz KTRSKXPAWQTUOK-UHFFFAOYSA-N -1 3 384.274 3.235 10 0 GGAEHM COc1cc(S(=O)(=O)[N-][C@@H](c2nc(C)cs2)C(F)(F)F)ccc1F ZINC000295186097 565250314 /nfs/dbraw/zinc/25/03/14/565250314.db2.gz JZNCYIDSBCYZJC-NSHDSACASA-N -1 3 384.376 3.181 10 0 GGAEHM C[C@H]1CCN(C(=O)c2cnn3cc(Br)cnc23)c2c([O-])cccc21 ZINC000186285958 565252338 /nfs/dbraw/zinc/25/23/38/565252338.db2.gz ZLYJTMKPRIMLMW-JTQLQIEISA-N -1 3 387.237 3.351 10 0 GGAEHM CC[C@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)[C@@H](O)c1c(F)cccc1F ZINC000295270305 565256391 /nfs/dbraw/zinc/25/63/91/565256391.db2.gz RZVWKPICUIKRQJ-RIEGTJTDSA-N -1 3 383.407 3.132 10 0 GGAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)s1 ZINC000295701163 565282957 /nfs/dbraw/zinc/28/29/57/565282957.db2.gz JYHVIUAVRPFIBX-AAEUAGOBSA-N -1 3 398.472 3.174 10 0 GGAEHM Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)Nc1ccccc1[O-] ZINC000161717998 565291193 /nfs/dbraw/zinc/29/11/93/565291193.db2.gz IDXMBRMJDJROIP-UHFFFAOYSA-N -1 3 384.251 3.119 10 0 GGAEHM C[C@@H](CON=C([O-])Nc1nc(C(F)(F)F)cs1)NC(=O)OC(C)(C)C ZINC000272876410 565301354 /nfs/dbraw/zinc/30/13/54/565301354.db2.gz WVNUGMBWAMLMGP-ZETCQYMHSA-N -1 3 384.380 3.128 10 0 GGAEHM C[C@@H](CO[N-]C(=O)Nc1nc(C(F)(F)F)cs1)NC(=O)OC(C)(C)C ZINC000272876410 565301359 /nfs/dbraw/zinc/30/13/59/565301359.db2.gz WVNUGMBWAMLMGP-ZETCQYMHSA-N -1 3 384.380 3.128 10 0 GGAEHM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000296109349 565302123 /nfs/dbraw/zinc/30/21/23/565302123.db2.gz NITZJPUBVFBPNA-ONGXEEELSA-N -1 3 382.379 3.000 10 0 GGAEHM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000296109334 565302139 /nfs/dbraw/zinc/30/21/39/565302139.db2.gz NITZJPUBVFBPNA-GXSJLCMTSA-N -1 3 382.379 3.000 10 0 GGAEHM COc1cnccc1[C@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000187220061 565317331 /nfs/dbraw/zinc/31/73/31/565317331.db2.gz GCPLBPCMVGPPPH-JTQLQIEISA-N -1 3 380.242 3.119 10 0 GGAEHM O=S(=O)(C[C@@H]1CCCC1(F)F)NCc1ccc([O-])c(Br)c1 ZINC000296476135 565319312 /nfs/dbraw/zinc/31/93/12/565319312.db2.gz YBBGNIYQALOBHI-JTQLQIEISA-N -1 3 384.242 3.010 10 0 GGAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCCC(C)(F)F)cc1OC ZINC000296473338 565319658 /nfs/dbraw/zinc/31/96/58/565319658.db2.gz WEFGZWQPACQDSF-UHFFFAOYSA-N -1 3 379.429 3.014 10 0 GGAEHM C[C@H]1CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)c2ccccc21 ZINC000162722420 565325664 /nfs/dbraw/zinc/32/56/64/565325664.db2.gz DLXPHLAOOFDWJS-XJKSGUPXSA-N -1 3 378.519 3.171 10 0 GGAEHM CCOc1cc(CN2CCC[C@H](Cn3ccnn3)C2)cc(Br)c1[O-] ZINC000297309845 565367894 /nfs/dbraw/zinc/36/78/94/565367894.db2.gz BQIKTHBGBIANDE-ZDUSSCGKSA-N -1 3 395.301 3.057 10 0 GGAEHM CCOc1cc(CN[C@H]2COc3ccccc3[C@H]2O)cc(Br)c1[O-] ZINC000297405828 565370977 /nfs/dbraw/zinc/37/09/77/565370977.db2.gz KVBQDVSSOYKBGW-WMLDXEAASA-N -1 3 394.265 3.138 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(-n3ccnn3)cc2)sc1Cl ZINC000188133891 565381364 /nfs/dbraw/zinc/38/13/64/565381364.db2.gz DMUDOIBXOODIAU-LLVKDONJSA-N -1 3 382.898 3.330 10 0 GGAEHM CC(C)C(=O)N1CCC(NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CC1 ZINC000188127906 565381869 /nfs/dbraw/zinc/38/18/69/565381869.db2.gz AZXXGTDAVOBJKG-UHFFFAOYSA-N -1 3 380.901 3.168 10 0 GGAEHM O=S(=O)([N-]CC1(c2ccccn2)CC1)c1c2ncsc2ccc1Cl ZINC000170613212 565383348 /nfs/dbraw/zinc/38/33/48/565383348.db2.gz QHVQGXZWISYIFW-UHFFFAOYSA-N -1 3 379.894 3.355 10 0 GGAEHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)C2CC2)s1 ZINC000170642470 565385014 /nfs/dbraw/zinc/38/50/14/565385014.db2.gz KOUHSFYUJAKLAR-LBPRGKRZSA-N -1 3 382.898 3.182 10 0 GGAEHM CCOc1cc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc(Br)c1[O-] ZINC000297810494 565388222 /nfs/dbraw/zinc/38/82/22/565388222.db2.gz YBVYARYXCYQFPT-DOTOQJQBSA-N -1 3 378.266 3.301 10 0 GGAEHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1Br)c1ccccc1 ZINC000170735506 565388996 /nfs/dbraw/zinc/38/89/96/565388996.db2.gz JGEGPWALAARYHS-OAHLLOKOSA-N -1 3 384.295 3.424 10 0 GGAEHM CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)CC2 ZINC000375462854 565389442 /nfs/dbraw/zinc/38/94/42/565389442.db2.gz UTKWLZZJLZWXDJ-NSHDSACASA-N -1 3 389.308 3.002 10 0 GGAEHM CCOc1cc(CNCc2ncnn2C(C)(C)C)cc(Br)c1[O-] ZINC000298005396 565395478 /nfs/dbraw/zinc/39/54/78/565395478.db2.gz BOBYZAOKXCYQMZ-UHFFFAOYSA-N -1 3 383.290 3.190 10 0 GGAEHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1OC ZINC000170939969 565399313 /nfs/dbraw/zinc/39/93/13/565399313.db2.gz DKWJLYNJTQGDBI-SECBINFHSA-N -1 3 375.368 3.161 10 0 GGAEHM CCOc1cc(CN[C@@H](c2nncn2C)C(C)C)cc(Br)c1[O-] ZINC000298209867 565403724 /nfs/dbraw/zinc/40/37/24/565403724.db2.gz YXCJNGBVAWLBMM-CQSZACIVSA-N -1 3 383.290 3.169 10 0 GGAEHM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)cc1 ZINC000188599247 565413215 /nfs/dbraw/zinc/41/32/15/565413215.db2.gz BQSOYUGONLKBIH-UHFFFAOYSA-N -1 3 382.869 3.288 10 0 GGAEHM Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCN(C(=O)C(C)C)CC2)c1Cl ZINC000298787692 565428348 /nfs/dbraw/zinc/42/83/48/565428348.db2.gz BLSMCVXHORCVRV-UHFFFAOYSA-N -1 3 393.336 3.227 10 0 GGAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1ccccc1OC(F)F ZINC000298822559 565430631 /nfs/dbraw/zinc/43/06/31/565430631.db2.gz POVPAKWWHPZGCW-QMMMGPOBSA-N -1 3 379.816 3.023 10 0 GGAEHM NC(=O)CCSc1ccccc1[N-]C(=O)c1csc(C(F)(F)F)n1 ZINC000188903480 565431074 /nfs/dbraw/zinc/43/10/74/565431074.db2.gz CECFSHAGRGEDHX-UHFFFAOYSA-N -1 3 375.397 3.382 10 0 GGAEHM CC(C)(C)c1nnsc1C(=O)[N-]c1nc2cc3c(cc2s1)OCCO3 ZINC000188947554 565434523 /nfs/dbraw/zinc/43/45/23/565434523.db2.gz TYVHYDUZKFNQKR-UHFFFAOYSA-N -1 3 376.463 3.469 10 0 GGAEHM COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1OC 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Cc1cc(S(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)c(Cl)cc1F ZINC000189352962 565460022 /nfs/dbraw/zinc/46/00/22/565460022.db2.gz RTWBBDCNSMPWOY-UHFFFAOYSA-N -1 3 395.637 3.039 10 0 GGAEHM COc1cccc(CN[C@H](Cc2cccc(Br)c2)C(=O)[O-])c1OC ZINC000277245200 565485015 /nfs/dbraw/zinc/48/50/15/565485015.db2.gz JMKWQYXCVHIWOK-OAHLLOKOSA-N -1 3 394.265 3.252 10 0 GGAEHM O=C([O-])[C@@H](Cc1cccc(Br)c1)NCc1cccc2c1OCCO2 ZINC000277466624 565498984 /nfs/dbraw/zinc/49/89/84/565498984.db2.gz VWPUGXMFQYSQSB-OAHLLOKOSA-N -1 3 392.249 3.006 10 0 GGAEHM O=C([O-])[C@H](Cc1cccc(Br)c1)NCc1cccc2c1OCCO2 ZINC000277466616 565498991 /nfs/dbraw/zinc/49/89/91/565498991.db2.gz VWPUGXMFQYSQSB-HNNXBMFYSA-N -1 3 392.249 3.006 10 0 GGAEHM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2cnc(-c3ccncc3)s2)c1 ZINC000172719330 565500894 /nfs/dbraw/zinc/50/08/94/565500894.db2.gz ANCPIUPGJUOLBR-UHFFFAOYSA-N -1 3 377.422 3.000 10 0 GGAEHM COCCN(Cc1sccc1Br)C(=O)c1cccc2[n-]nnc21 ZINC000190148157 565512135 /nfs/dbraw/zinc/51/21/35/565512135.db2.gz 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/nfs/dbraw/zinc/54/67/76/565546776.db2.gz HUYUCAXKQWYJDF-QWHCGFSZSA-N -1 3 393.734 3.008 10 0 GGAEHM O=S(=O)([N-][C@H](CO)C1CCCCC1)c1c(Cl)cccc1Br ZINC000386193328 565547000 /nfs/dbraw/zinc/54/70/00/565547000.db2.gz QIKOVBREEGZCEI-CYBMUJFWSA-N -1 3 396.734 3.322 10 0 GGAEHM CN1CCC[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)[C@@H]1c1cccs1 ZINC000173325270 565549262 /nfs/dbraw/zinc/54/92/62/565549262.db2.gz HTNOZOYCNAGHBA-SJKOYZFVSA-N -1 3 386.489 3.388 10 0 GGAEHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)no1 ZINC000173401215 565555055 /nfs/dbraw/zinc/55/50/55/565555055.db2.gz YLDKZZYNIOPRMQ-UHFFFAOYSA-N -1 3 379.825 3.302 10 0 GGAEHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)no1 ZINC000173398954 565555470 /nfs/dbraw/zinc/55/54/70/565555470.db2.gz SFRNKYMVUAKYAV-UHFFFAOYSA-N -1 3 379.825 3.302 10 0 GGAEHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(F)c(OC)c2)c1 ZINC000190761119 565556668 /nfs/dbraw/zinc/55/66/68/565556668.db2.gz LPMFGZYCLFAXIY-UHFFFAOYSA-N -1 3 390.230 3.406 10 0 GGAEHM 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ZINC000312940539 565582972 /nfs/dbraw/zinc/58/29/72/565582972.db2.gz ZUHDWEYRQDTOCR-UHFFFAOYSA-N -1 3 384.723 3.180 10 0 GGAEHM CCCN(CC)CC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000312936944 565583267 /nfs/dbraw/zinc/58/32/67/565583267.db2.gz ZBDCRFNCZURCEW-UHFFFAOYSA-N -1 3 383.739 3.113 10 0 GGAEHM CC1CCN(CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000313805881 565584440 /nfs/dbraw/zinc/58/44/40/565584440.db2.gz VJPXQBORGAJCNC-UHFFFAOYSA-N -1 3 395.750 3.113 10 0 GGAEHM O=S(=O)([N-]CCN1CCCCCC1)c1c(Cl)cccc1Br ZINC000313753937 565584834 /nfs/dbraw/zinc/58/48/34/565584834.db2.gz JCSWBEOEGFGBTO-UHFFFAOYSA-N -1 3 395.750 3.257 10 0 GGAEHM CC(C)(C)c1nnsc1C(=O)[N-]c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000191349556 565598267 /nfs/dbraw/zinc/59/82/67/565598267.db2.gz GPYYIABGDFAKGS-UHFFFAOYSA-N -1 3 396.519 3.101 10 0 GGAEHM Cc1csc(C(=O)[N-]c2cc3c(=O)[nH]cnc3cc2F)c1Br ZINC000191358924 565599527 /nfs/dbraw/zinc/59/95/27/565599527.db2.gz IOQMLWROSFNCBL-UHFFFAOYSA-N -1 3 382.214 3.447 10 0 GGAEHM C[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C[C@H](C)O1 ZINC000408271096 565601943 /nfs/dbraw/zinc/60/19/43/565601943.db2.gz UVTSAMJYLNAKPA-IUCAKERBSA-N -1 3 399.672 3.193 10 0 GGAEHM C[C@H]1CN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C[C@H](C)O1 ZINC000408271096 565601949 /nfs/dbraw/zinc/60/19/49/565601949.db2.gz UVTSAMJYLNAKPA-IUCAKERBSA-N -1 3 399.672 3.193 10 0 GGAEHM CCOc1cc(CN2CC[S@](=O)C(C)(C)CC2)cc(Br)c1[O-] ZINC000322565904 565610651 /nfs/dbraw/zinc/61/06/51/565610651.db2.gz PCQYALXICQAEDK-QFIPXVFZSA-N -1 3 390.343 3.286 10 0 GGAEHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc3[nH]c(C)c(C)c3c2)c1 ZINC000409460482 565617366 /nfs/dbraw/zinc/61/73/66/565617366.db2.gz GJRNGQUELORQOO-UHFFFAOYSA-N -1 3 378.475 3.111 10 0 GGAEHM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000326494312 565623816 /nfs/dbraw/zinc/62/38/16/565623816.db2.gz YNDJNICNXHHEDO-KYOSRNDESA-N -1 3 392.253 3.184 10 0 GGAEHM O=C([O-])[C@]1(C(F)(F)F)CCN(CCCc2nc(-c3cccs3)no2)C1 ZINC000327403560 565630742 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Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@@H](C)c1ccccn1 ZINC000657039338 567004957 /nfs/dbraw/zinc/00/49/57/567004957.db2.gz KXPWCNGLOONCGG-SNVBAGLBSA-N -1 3 375.313 3.296 10 0 GGAEHM CCOc1cc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)cc(Br)c1[O-] ZINC000584028842 567004947 /nfs/dbraw/zinc/00/49/47/567004947.db2.gz HKASYFGNRIWCIY-HEHGZKQESA-N -1 3 398.297 3.327 10 0 GGAEHM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccccn1 ZINC000657039040 567004999 /nfs/dbraw/zinc/00/49/99/567004999.db2.gz IUPWZNIPLHJFKQ-SNVBAGLBSA-N -1 3 378.347 3.201 10 0 GGAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CCCCC3)s1 ZINC000657040867 567005065 /nfs/dbraw/zinc/00/50/65/567005065.db2.gz SXSSTFSDZTTXLD-MRXNPFEDSA-N -1 3 384.567 3.208 10 0 GGAEHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](C)c1ccccn1 ZINC000657040503 567005377 /nfs/dbraw/zinc/00/53/77/567005377.db2.gz USOYFPJQLIZUMI-LBPRGKRZSA-N -1 3 399.310 3.325 10 0 GGAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCC23CCCCC3)cc1F ZINC000657040366 567005769 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O=C(NCc1ncccc1[O-])Nc1nc2c(cccc2Br)s1 ZINC000494538087 567007821 /nfs/dbraw/zinc/00/78/21/567007821.db2.gz TZPPPDYATODFGU-UHFFFAOYSA-N -1 3 379.239 3.481 10 0 GGAEHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472201384 567008035 /nfs/dbraw/zinc/00/80/35/567008035.db2.gz ZCOKAPAYXKULKP-WDEREUQCSA-N -1 3 378.416 3.338 10 0 GGAEHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c2ncnn21 ZINC000657065253 567008055 /nfs/dbraw/zinc/00/80/55/567008055.db2.gz CACPTQBGMTVZPK-QUBYGPBYSA-N -1 3 381.672 3.223 10 0 GGAEHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H]2C[C@@H](C)n3ncnc32)c1Cl ZINC000657065090 567008362 /nfs/dbraw/zinc/00/83/62/567008362.db2.gz ZLYVUUZOFXOIOZ-LDYMZIIASA-N -1 3 375.281 3.186 10 0 GGAEHM C[C@@H]1CC[C@H](C)N(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000472201382 567008483 /nfs/dbraw/zinc/00/84/83/567008483.db2.gz ZCOKAPAYXKULKP-MNOVXSKESA-N -1 3 378.416 3.338 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]CC2C[C@@H](C)O[C@H](C)C2)sc1Br ZINC000544940721 567009495 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Cc1cc(Br)ccc1CN(C)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000434343322 567305462 /nfs/dbraw/zinc/30/54/62/567305462.db2.gz WBZOUJPDSCMEBO-UHFFFAOYSA-N -1 3 378.270 3.071 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCc1nc(-c2ccccc2)no1 ZINC000500246157 567309852 /nfs/dbraw/zinc/30/98/52/567309852.db2.gz SEOYYISKOKXEIP-UHFFFAOYSA-N -1 3 388.221 3.064 10 0 GGAEHM CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000500284119 567311125 /nfs/dbraw/zinc/31/11/25/567311125.db2.gz SOFDLYKYTCWXNS-ZDUSSCGKSA-N -1 3 398.297 3.278 10 0 GGAEHM COC(=O)c1cnc([C@@H](C)[N-]S(=O)(=O)c2cc3cccc(C)c3s2)s1 ZINC000592056281 567311798 /nfs/dbraw/zinc/31/17/98/567311798.db2.gz YGCYXDHINCDXNQ-SNVBAGLBSA-N -1 3 396.515 3.492 10 0 GGAEHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H](C)CC(F)F ZINC000592067784 567313047 /nfs/dbraw/zinc/31/30/47/567313047.db2.gz QKQKNJMJNVALCL-SECBINFHSA-N -1 3 377.434 3.258 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@H](OCC(F)(F)F)C1 ZINC000548401962 567313437 /nfs/dbraw/zinc/31/34/37/567313437.db2.gz NROVQEVNZLXUJG-LBPRGKRZSA-N -1 3 396.203 3.267 10 0 GGAEHM COc1ccc(NC(=O)Cc2ccc(Br)cc2[O-])c(OC)c1OC ZINC000548405506 567313563 /nfs/dbraw/zinc/31/35/63/567313563.db2.gz GGQCWECLPGJKBQ-UHFFFAOYSA-N -1 3 396.237 3.362 10 0 GGAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C1(c2cccc(F)c2)CCC1 ZINC000592070610 567313529 /nfs/dbraw/zinc/31/35/29/567313529.db2.gz RTQSVKOZWGFQTL-UHFFFAOYSA-N -1 3 383.466 3.340 10 0 GGAEHM CCC(=O)Nc1cccc(CNC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000548401619 567314021 /nfs/dbraw/zinc/31/40/21/567314021.db2.gz PLKAMYYRKPINIJ-UHFFFAOYSA-N -1 3 391.265 3.362 10 0 GGAEHM COc1cc(=NC(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)[n-]n1C ZINC000548473027 567317160 /nfs/dbraw/zinc/31/71/60/567317160.db2.gz VZNLTYIZODZKRE-CQSZACIVSA-N -1 3 394.313 3.457 10 0 GGAEHM Cn1cc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c(-c2ccc(Cl)s2)n1 ZINC000527208198 567319799 /nfs/dbraw/zinc/31/97/99/567319799.db2.gz SYCNVFPOWORLQU-NSHDSACASA-N -1 3 377.857 3.051 10 0 GGAEHM CC[C@@H](CNC(=O)N=c1cc(OC)n(C)[n-]1)Cc1cccc(Br)c1 ZINC000548496082 567320518 /nfs/dbraw/zinc/32/05/18/567320518.db2.gz CXVLERHXLFAVST-GFCCVEGCSA-N -1 3 395.301 3.004 10 0 GGAEHM COc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])CCO2 ZINC000500437632 567320957 /nfs/dbraw/zinc/32/09/57/567320957.db2.gz DBHMOGBIOHCPRA-HNNXBMFYSA-N -1 3 392.249 3.346 10 0 GGAEHM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2F)nc1C ZINC000476430163 567322719 /nfs/dbraw/zinc/32/27/19/567322719.db2.gz HVKQDVZCJZENNF-LLVKDONJSA-N -1 3 386.470 3.115 10 0 GGAEHM CCOC(=O)c1sc2ccsc2c1C[N-]S(=O)(=O)c1cccnc1 ZINC000500496450 567325670 /nfs/dbraw/zinc/32/56/70/567325670.db2.gz HTYWMXGKOFNQQA-UHFFFAOYSA-N -1 3 382.488 3.013 10 0 GGAEHM CCOc1cc(CN2CC[C@@H](Nc3ncccn3)C2)cc(Br)c1[O-] ZINC000568394959 567325808 /nfs/dbraw/zinc/32/58/08/567325808.db2.gz GBTIVJSGGVYZIH-CYBMUJFWSA-N -1 3 393.285 3.030 10 0 GGAEHM CC(C)n1cc(C(=O)[N-]c2nnc(COc3ccc(Cl)cc3)s2)nn1 ZINC000568484579 567332956 /nfs/dbraw/zinc/33/29/56/567332956.db2.gz KUBCQFJSXRKSDK-UHFFFAOYSA-N -1 3 378.845 3.195 10 0 GGAEHM Cc1ccc(S(=O)(=O)[N-]c2ccnc(C)c2Br)c(Cl)c1 ZINC000527362353 567333113 /nfs/dbraw/zinc/33/31/13/567333113.db2.gz HQBJOGOQMKCLEQ-UHFFFAOYSA-N -1 3 375.675 3.337 10 0 GGAEHM CSc1ccc(C[N-]S(=O)(=O)c2nc(C)c(Br)s2)cc1 ZINC000527368792 567334511 /nfs/dbraw/zinc/33/45/11/567334511.db2.gz SSQYJPNFWTZUJG-UHFFFAOYSA-N -1 3 393.353 3.414 10 0 GGAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000527483721 567338121 /nfs/dbraw/zinc/33/81/21/567338121.db2.gz OEDMEMRWEKXZHY-ZBEGNZNMSA-N -1 3 378.475 3.153 10 0 GGAEHM C[C@H]1OCC[C@H]1S(=O)(=O)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000527483718 567338226 /nfs/dbraw/zinc/33/82/26/567338226.db2.gz OEDMEMRWEKXZHY-BDJLRTHQSA-N -1 3 378.475 3.153 10 0 GGAEHM O=C(CSc1cccc(Br)c1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527500540 567339499 /nfs/dbraw/zinc/33/94/99/567339499.db2.gz VLCGEWNPTLZFEP-CYBMUJFWSA-N -1 3 382.283 3.176 10 0 GGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000527499481 567339846 /nfs/dbraw/zinc/33/98/46/567339846.db2.gz HADGVJGYGCOVSI-NFAWXSAZSA-N -1 3 376.254 3.188 10 0 GGAEHM COC(=O)CC1(CNC(=O)Cc2ccc(Br)cc2[O-])CCCCC1 ZINC000500769147 567344384 /nfs/dbraw/zinc/34/43/84/567344384.db2.gz RHRXQVYRYKYQRO-UHFFFAOYSA-N -1 3 398.297 3.327 10 0 GGAEHM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)ccc1Cl ZINC000500790853 567344773 /nfs/dbraw/zinc/34/47/73/567344773.db2.gz BKADFBMYBQDZIC-UHFFFAOYSA-N -1 3 379.913 3.195 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N[C@@H]1CCCN(c2ccccc2)C1 ZINC000548729174 567345841 /nfs/dbraw/zinc/34/58/41/567345841.db2.gz MYUGTZYNOPYBTF-MRXNPFEDSA-N -1 3 389.293 3.482 10 0 GGAEHM COc1ccc2c(c1)CN(C(=O)Cc1ccc(Br)cc1[O-])CCO2 ZINC000456160613 567346008 /nfs/dbraw/zinc/34/60/08/567346008.db2.gz PQZIJXBPKDFOFY-UHFFFAOYSA-N -1 3 392.249 3.127 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N[C@@H]1CCOc2ccc(F)cc21 ZINC000548736527 567346752 /nfs/dbraw/zinc/34/67/52/567346752.db2.gz XZSBPOYYQXUCQP-CQSZACIVSA-N -1 3 380.213 3.476 10 0 GGAEHM C[C@@H]1COC2(CCC2)CN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000617948587 567347300 /nfs/dbraw/zinc/34/73/00/567347300.db2.gz ZTYWBQKZBFFIHK-LLVKDONJSA-N -1 3 391.265 3.074 10 0 GGAEHM COC1CCC(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000435217277 567349751 /nfs/dbraw/zinc/34/97/51/567349751.db2.gz OEIQFLGHHSUGSR-UHFFFAOYSA-N -1 3 380.279 3.072 10 0 GGAEHM O=S(=O)([N-]Cc1ccccc1Br)c1cccnc1C(F)(F)F ZINC000568741698 567353425 /nfs/dbraw/zinc/35/34/25/567353425.db2.gz WRCSBTPZXQPCLX-UHFFFAOYSA-N -1 3 395.200 3.341 10 0 GGAEHM Cc1nn2cc(S(=O)(=O)[N-]C[C@H](C)c3ccc(C)cc3)cnc2c1Cl ZINC000500954560 567355809 /nfs/dbraw/zinc/35/58/09/567355809.db2.gz OZTXJVNZHYUAHB-LBPRGKRZSA-N -1 3 378.885 3.082 10 0 GGAEHM CCC[C@@H]([N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1)C1CCCCC1 ZINC000476900725 567356160 /nfs/dbraw/zinc/35/61/60/567356160.db2.gz BJMKOYOBVLELSE-QGZVFWFLSA-N -1 3 386.583 3.454 10 0 GGAEHM Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2Br)c(C)cn1 ZINC000548868093 567356661 /nfs/dbraw/zinc/35/66/61/567356661.db2.gz PQIDRIBOWZKHJK-UHFFFAOYSA-N -1 3 375.675 3.337 10 0 GGAEHM Cc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)cn1 ZINC000548874835 567356790 /nfs/dbraw/zinc/35/67/90/567356790.db2.gz DAYYYWAHGSUHRG-UHFFFAOYSA-N -1 3 389.702 3.327 10 0 GGAEHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(C(F)(F)F)c(Br)c1 ZINC000548861410 567356854 /nfs/dbraw/zinc/35/68/54/567356854.db2.gz PGCBFIAMDVMRET-ZETCQYMHSA-N -1 3 376.194 3.245 10 0 GGAEHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Cl)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000640291488 567362664 /nfs/dbraw/zinc/36/26/64/567362664.db2.gz BNNIABMMCCFDFD-PWSUYJOCSA-N -1 3 376.741 3.337 10 0 GGAEHM CC(C)Oc1ccc(C(=O)Nc2cc(I)ccc2[O-])nc1 ZINC000618238586 567365545 /nfs/dbraw/zinc/36/55/45/567365545.db2.gz VCQYHGQAGJOFJO-UHFFFAOYSA-N -1 3 398.200 3.431 10 0 GGAEHM COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1OC ZINC000592822007 567366635 /nfs/dbraw/zinc/36/66/35/567366635.db2.gz BGCBYRHFRYDYTD-LLVKDONJSA-N -1 3 387.860 3.406 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(F)c2F)c(Cl)c1 ZINC000501155614 567369491 /nfs/dbraw/zinc/36/94/91/567369491.db2.gz PFPKQNHKQDKQFL-VIFPVBQESA-N -1 3 389.807 3.444 10 0 GGAEHM CC[C@H](C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)N1CCCC1=O ZINC000435469437 567370804 /nfs/dbraw/zinc/37/08/04/567370804.db2.gz JSEOGTKUMGHYKL-CQSZACIVSA-N -1 3 381.263 3.145 10 0 GGAEHM COc1cc(CNC[C@@H](n2cccn2)C(F)(F)F)cc(Br)c1[O-] ZINC000527744176 567372092 /nfs/dbraw/zinc/37/20/92/567372092.db2.gz OTILHBRZKXPISZ-GFCCVEGCSA-N -1 3 394.191 3.253 10 0 GGAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc(I)ccc1F ZINC000592949545 567374460 /nfs/dbraw/zinc/37/44/60/567374460.db2.gz IVXDNBVTFUZUHE-UHFFFAOYSA-N -1 3 387.196 3.259 10 0 GGAEHM CCOC(=O)c1c(CC)c(C)sc1[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC000592999571 567375401 /nfs/dbraw/zinc/37/54/01/567375401.db2.gz RGTMKKGZVZJSMC-UHFFFAOYSA-N -1 3 385.463 3.044 10 0 GGAEHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000435585964 567375909 /nfs/dbraw/zinc/37/59/09/567375909.db2.gz WYHASKSSOOSWIK-AULYBMBSSA-N -1 3 385.894 3.413 10 0 GGAEHM COc1ccc(CNC[C@@H]2c3ccccc3C(=O)N2C)c(Br)c1[O-] ZINC000527811469 567377202 /nfs/dbraw/zinc/37/72/02/567377202.db2.gz ZVPYWHOQOJQDAI-CQSZACIVSA-N -1 3 391.265 3.080 10 0 GGAEHM Cc1ccc(C[C@@H](CO)CNC(=O)c2cccc([O-])c2)cc1Br ZINC000456480893 567379354 /nfs/dbraw/zinc/37/93/54/567379354.db2.gz DOMSHLAOHZOHRE-CQSZACIVSA-N -1 3 378.266 3.044 10 0 GGAEHM Cc1cccc(N2CCN(C(=O)Cc3ccc(Br)cc3[O-])CC2)c1 ZINC000477196844 567380018 /nfs/dbraw/zinc/38/00/18/567380018.db2.gz GLMYLXUZELUHRE-UHFFFAOYSA-N -1 3 389.293 3.354 10 0 GGAEHM Cc1cccc(C)c1NC(=O)CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000477203380 567380156 /nfs/dbraw/zinc/38/01/56/567380156.db2.gz DYAQYSQTYPJAJQ-UHFFFAOYSA-N -1 3 391.265 3.069 10 0 GGAEHM CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)C1 ZINC000435648348 567381895 /nfs/dbraw/zinc/38/18/95/567381895.db2.gz QMVWZDIBUSJJGE-ZJUUUORDSA-N -1 3 396.292 3.012 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])Nc1ccc(-n2cncn2)c(F)c1 ZINC000477272858 567385085 /nfs/dbraw/zinc/38/50/85/567385085.db2.gz KGFBOKMSBCSCPE-UHFFFAOYSA-N -1 3 391.200 3.056 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NC[C@@H]1CCN(c2ccccc2)C1 ZINC000477276921 567385221 /nfs/dbraw/zinc/38/52/21/567385221.db2.gz BVOXOZPZQRONNF-AWEZNQCLSA-N -1 3 389.293 3.340 10 0 GGAEHM Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])nn1C1CCOCC1 ZINC000527928981 567385500 /nfs/dbraw/zinc/38/55/00/567385500.db2.gz GUYNVKRTKDOKDR-UHFFFAOYSA-N -1 3 380.242 3.263 10 0 GGAEHM CNC(=O)c1cc(NC(=O)Cc2ccc(Br)cc2[O-])ccc1Cl ZINC000477276090 567385739 /nfs/dbraw/zinc/38/57/39/567385739.db2.gz HXWJCBNNOASWSG-UHFFFAOYSA-N -1 3 397.656 3.349 10 0 GGAEHM C[C@H](CNC(=O)Cc1ccc(Br)cc1[O-])N(C)c1ccccc1 ZINC000477276709 567386030 /nfs/dbraw/zinc/38/60/30/567386030.db2.gz HUVYDYNYSLZLSH-CYBMUJFWSA-N -1 3 377.282 3.338 10 0 GGAEHM COc1cc(NC(=O)Cc2ccc(Br)cc2[O-])ccc1NC(C)=O ZINC000477277848 567386069 /nfs/dbraw/zinc/38/60/69/567386069.db2.gz WROGTAKPJCAFGR-UHFFFAOYSA-N -1 3 393.237 3.303 10 0 GGAEHM C[C@@H]1Oc2ccc(NC(=O)Cc3ccc(Br)cc3[O-])cc2NC1=O ZINC000477309871 567388909 /nfs/dbraw/zinc/38/89/09/567388909.db2.gz RKBNFAUIKGBIID-VIFPVBQESA-N -1 3 391.221 3.055 10 0 GGAEHM CN(CCCNC(=O)Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000477311034 567388939 /nfs/dbraw/zinc/38/89/39/567388939.db2.gz UIFCDOCZJAYJGU-UHFFFAOYSA-N -1 3 377.282 3.340 10 0 GGAEHM CCc1ccc([C@@H](COC)NC(=O)Cc2ccc(Br)cc2[O-])o1 ZINC000477376014 567390756 /nfs/dbraw/zinc/39/07/56/567390756.db2.gz KWFHKMRWPNLKEC-CQSZACIVSA-N -1 3 382.254 3.357 10 0 GGAEHM CSCCCC[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000569252139 567390804 /nfs/dbraw/zinc/39/08/04/567390804.db2.gz DTSIDFWMQYYRHG-UHFFFAOYSA-N -1 3 389.340 3.419 10 0 GGAEHM COc1ccccc1O[C@@H](C)CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000477376796 567391083 /nfs/dbraw/zinc/39/10/83/567391083.db2.gz LIBJKWCARHHONJ-LBPRGKRZSA-N -1 3 394.265 3.290 10 0 GGAEHM COc1ccccc1O[C@H](C)CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000477376794 567391261 /nfs/dbraw/zinc/39/12/61/567391261.db2.gz LIBJKWCARHHONJ-GFCCVEGCSA-N -1 3 394.265 3.290 10 0 GGAEHM C[C@H](NC(=O)Cc1ccc(Br)cc1[O-])c1nc(C(C)(C)C)no1 ZINC000477361168 567391814 /nfs/dbraw/zinc/39/18/14/567391814.db2.gz JGODEFRYVNPFAG-VIFPVBQESA-N -1 3 382.258 3.255 10 0 GGAEHM c1csc(CN2CCC[C@H](CN=c3[n-]nc(C4CCOCC4)s3)C2)c1 ZINC000549487357 567394094 /nfs/dbraw/zinc/39/40/94/567394094.db2.gz SNOZOKJNSHGKHQ-CQSZACIVSA-N -1 3 378.567 3.240 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCO[C@@H](c2cccs2)C1 ZINC000477428260 567394011 /nfs/dbraw/zinc/39/40/11/567394011.db2.gz QSSJOIJJBTZFRV-CQSZACIVSA-N -1 3 382.279 3.359 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000477421454 567394164 /nfs/dbraw/zinc/39/41/64/567394164.db2.gz IRIWUFXRBWRGBC-QGZVFWFLSA-N -1 3 392.249 3.003 10 0 GGAEHM Cn1[n-]c([C@H]2CCCN2Cc2cccc3c(Br)cccc23)nc1=N ZINC000569315723 567394778 /nfs/dbraw/zinc/39/47/78/567394778.db2.gz GQCXFROVQDWVLU-MRXNPFEDSA-N -1 3 386.297 3.480 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCc1ccccc1-n1ccnc1 ZINC000477443756 567395534 /nfs/dbraw/zinc/39/55/34/567395534.db2.gz BSUJWPVXQXOXNP-UHFFFAOYSA-N -1 3 386.249 3.199 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NC[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000618491021 567395723 /nfs/dbraw/zinc/39/57/23/567395723.db2.gz DFJJUSQVWSVHOQ-RDJZCZTQSA-N -1 3 390.277 3.386 10 0 GGAEHM CC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)[C@H](O)C(F)(F)F ZINC000501528316 567395836 /nfs/dbraw/zinc/39/58/36/567395836.db2.gz XSINBOCVAPUDJC-QWRGUYRKSA-N -1 3 380.215 3.115 10 0 GGAEHM CC[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)[C@H](O)C(F)(F)F ZINC000501528315 567395922 /nfs/dbraw/zinc/39/59/22/567395922.db2.gz XSINBOCVAPUDJC-MNOVXSKESA-N -1 3 380.215 3.115 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]CCc2cc(-c3ccncc3)n[nH]2)sc1Cl ZINC000477496957 567397561 /nfs/dbraw/zinc/39/75/61/567397561.db2.gz BXIUXXCCIIVNCA-UHFFFAOYSA-N -1 3 382.898 3.016 10 0 GGAEHM CSc1ccc([C@H](C[N-]S(=O)(=O)c2nc(C)c(C)s2)N(C)C)cc1 ZINC000549630331 567401520 /nfs/dbraw/zinc/40/15/20/567401520.db2.gz ODTLSMBKBWKVEG-HNNXBMFYSA-N -1 3 385.580 3.063 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])Nc1cc2c(cc1F)NC(=O)CC2 ZINC000501744563 567404331 /nfs/dbraw/zinc/40/43/31/567404331.db2.gz AKICAGYIUMWKRA-UHFFFAOYSA-N -1 3 393.212 3.360 10 0 GGAEHM Cc1nc(-c2ccc(NC(=O)Cc3ccc(Br)cc3[O-])cc2)n[nH]1 ZINC000477616526 567404681 /nfs/dbraw/zinc/40/46/81/567404681.db2.gz NBZFBOXJMKRBMO-UHFFFAOYSA-N -1 3 387.237 3.429 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCc1ccc2c(c1)OCCCO2 ZINC000477615647 567405014 /nfs/dbraw/zinc/40/50/14/567405014.db2.gz KDARYYNJHWJETE-UHFFFAOYSA-N -1 3 392.249 3.175 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCc1ccc(OCC2CC2)nc1 ZINC000477613694 567405176 /nfs/dbraw/zinc/40/51/76/567405176.db2.gz WNWQPMLEZIMZKV-UHFFFAOYSA-N -1 3 391.265 3.197 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]Cc1ccc(C)cc1 ZINC000528285842 567407198 /nfs/dbraw/zinc/40/71/98/567407198.db2.gz HDGRNKJJKQOQIZ-UHFFFAOYSA-N -1 3 375.368 3.381 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H](C)c1cccnc1 ZINC000528290820 567408270 /nfs/dbraw/zinc/40/82/70/567408270.db2.gz HVRDLJXVJPIEPP-SNVBAGLBSA-N -1 3 376.356 3.028 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CCc1ccsc1 ZINC000528300766 567408503 /nfs/dbraw/zinc/40/85/03/567408503.db2.gz NVLAAABJBCLOJY-UHFFFAOYSA-N -1 3 381.397 3.176 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C[C@H]1CC1(Cl)Cl ZINC000528297970 567408550 /nfs/dbraw/zinc/40/85/50/567408550.db2.gz BSPSDKUOUROLGZ-SSDOTTSWSA-N -1 3 394.198 3.066 10 0 GGAEHM Cc1c(Br)cccc1C[C@@H](CO)CNC(=O)c1cccc([O-])c1 ZINC000456726910 567410407 /nfs/dbraw/zinc/41/04/07/567410407.db2.gz REKYHVVUPOGVQX-CYBMUJFWSA-N -1 3 378.266 3.044 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C(C)(C)c1nccs1 ZINC000528327593 567411001 /nfs/dbraw/zinc/41/10/01/567411001.db2.gz OEWFLRMTDVPKNB-UHFFFAOYSA-N -1 3 396.412 3.264 10 0 GGAEHM CCc1cnc(C[N-]S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)s1 ZINC000528334261 567411948 /nfs/dbraw/zinc/41/19/48/567411948.db2.gz HBSWWNAINWSDKL-UHFFFAOYSA-N -1 3 396.412 3.091 10 0 GGAEHM O=C(Cc1ccc([O-])c(F)c1)N1CCOC[C@H]1c1cccc(Br)c1 ZINC000618771280 567411895 /nfs/dbraw/zinc/41/18/95/567411895.db2.gz CONUCJIMJPTUIC-INIZCTEOSA-N -1 3 394.240 3.436 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]Cc1nc(C)c(C)s1 ZINC000528334369 567412563 /nfs/dbraw/zinc/41/25/63/567412563.db2.gz AVGFGAKYTUULSY-UHFFFAOYSA-N -1 3 396.412 3.146 10 0 GGAEHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)CC[C@@H]2C)cc1 ZINC000436177910 567412691 /nfs/dbraw/zinc/41/26/91/567412691.db2.gz GTFPQUNYSFLMDH-CABCVRRESA-N -1 3 388.555 3.038 10 0 GGAEHM CO[C@@H](CS(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000528347305 567414102 /nfs/dbraw/zinc/41/41/02/567414102.db2.gz ZIFPCRPIODLQBX-RDJZCZTQSA-N -1 3 385.844 3.220 10 0 GGAEHM COc1cccc(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)c1[O-] ZINC000618776790 567414556 /nfs/dbraw/zinc/41/45/56/567414556.db2.gz QAVVZZXEYPIHDH-OAHLLOKOSA-N -1 3 392.249 3.377 10 0 GGAEHM CC(C)(C)c1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c(O)c1 ZINC000501966231 567414600 /nfs/dbraw/zinc/41/46/00/567414600.db2.gz HGBOFYRUCVCPSE-UHFFFAOYSA-N -1 3 382.507 3.058 10 0 GGAEHM CCOc1ccc2nc([N-]C(=O)c3cc(S(C)(=O)=O)c(C)o3)sc2c1 ZINC000528363822 567415458 /nfs/dbraw/zinc/41/54/58/567415458.db2.gz FYPNNODVEOUWIO-UHFFFAOYSA-N -1 3 380.447 3.252 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C[C@H](C)c1nccs1 ZINC000528369494 567417222 /nfs/dbraw/zinc/41/72/22/567417222.db2.gz ZWASWWXFBQUDDQ-VIFPVBQESA-N -1 3 396.412 3.132 10 0 GGAEHM COc1cc(C)c(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cc1OC ZINC000549916601 567417635 /nfs/dbraw/zinc/41/76/35/567417635.db2.gz UIRUPNCQMJMKGZ-LBPRGKRZSA-N -1 3 396.412 3.051 10 0 GGAEHM CCOc1ccc(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)cc1C ZINC000549914901 567417759 /nfs/dbraw/zinc/41/77/59/567417759.db2.gz CBGQFKOHNZEZMB-GFCCVEGCSA-N -1 3 380.413 3.432 10 0 GGAEHM CO[C@H](C(=O)Nc1cc(I)ccc1[O-])c1ccc(O)cc1 ZINC000618855871 567418040 /nfs/dbraw/zinc/41/80/40/567418040.db2.gz PVQAQRVKBUXRLV-AWEZNQCLSA-N -1 3 399.184 3.029 10 0 GGAEHM O=S(=O)([N-]CC[C@H]1CCCOC1)c1ccc(Cl)c(Br)c1 ZINC000528446971 567423130 /nfs/dbraw/zinc/42/31/30/567423130.db2.gz BZIXOIPXHIHZEE-SNVBAGLBSA-N -1 3 382.707 3.198 10 0 GGAEHM COc1ccc(Br)cc1Cc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000569681794 567422631 /nfs/dbraw/zinc/42/26/31/567422631.db2.gz VHRGCFVPNGGIGZ-UHFFFAOYSA-N -1 3 386.209 3.370 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H](C)c1cscn1 ZINC000528430033 567423250 /nfs/dbraw/zinc/42/32/50/567423250.db2.gz JPIAXQOKWJPJRF-MRVPVSSYSA-N -1 3 382.385 3.090 10 0 GGAEHM C[C@H]1CCCc2ncc(C(=O)Nc3cc(I)ccc3[O-])n21 ZINC000593559536 567423669 /nfs/dbraw/zinc/42/36/69/567423669.db2.gz ZTKWKHBYOPRGSP-VIFPVBQESA-N -1 3 397.216 3.343 10 0 GGAEHM Cc1ccncc1CN(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000477898291 567424782 /nfs/dbraw/zinc/42/47/82/567424782.db2.gz ZXOZUXHPEUZZAK-UHFFFAOYSA-N -1 3 386.249 3.266 10 0 GGAEHM O=S(=O)([N-]CC[C@H]1CCCOC1)c1cccc(Cl)c1Br ZINC000528451453 567424878 /nfs/dbraw/zinc/42/48/78/567424878.db2.gz RSQSVAFPAJRZFW-SNVBAGLBSA-N -1 3 382.707 3.198 10 0 GGAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CC(C2CCC2)C2CCC2)s1 ZINC000528449197 567425213 /nfs/dbraw/zinc/42/52/13/567425213.db2.gz HDTCEQVKYDYMBX-GFCCVEGCSA-N -1 3 384.567 3.440 10 0 GGAEHM O=C(c1cc([O-])cc(Br)c1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000528466994 567427733 /nfs/dbraw/zinc/42/77/33/567427733.db2.gz ZEUXROCWAZESOW-NSHDSACASA-N -1 3 391.269 3.101 10 0 GGAEHM CC[C@@](C)(NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C1CC1 ZINC000618959749 567427867 /nfs/dbraw/zinc/42/78/67/567427867.db2.gz FHFRWTSLIRRAEW-OAHLLOKOSA-N -1 3 378.416 3.385 10 0 GGAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)nc1=N ZINC000550116878 567428331 /nfs/dbraw/zinc/42/83/31/567428331.db2.gz REUHXPIMWZNKEG-BZPMIXESSA-N -1 3 380.279 3.002 10 0 GGAEHM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000528484537 567429095 /nfs/dbraw/zinc/42/90/95/567429095.db2.gz BESVMZUMBOEMLS-IINYFYTJSA-N -1 3 394.718 3.089 10 0 GGAEHM CN1CC[C@H](NC(=O)c2ccc(Br)cc2[O-])[C@H]1c1ccccc1 ZINC000436524733 567431136 /nfs/dbraw/zinc/43/11/36/567431136.db2.gz KJKBJQGNVUORHO-DOTOQJQBSA-N -1 3 375.266 3.330 10 0 GGAEHM O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)c1cc(F)ccc1[O-] ZINC000436530876 567431696 /nfs/dbraw/zinc/43/16/96/567431696.db2.gz CVSVUQGTQJWQMN-UHFFFAOYSA-N -1 3 391.200 3.009 10 0 GGAEHM CN1CC[C@@H](NC(=O)c2cc(Br)ccc2[O-])[C@H]1c1ccccc1 ZINC000436524312 567432261 /nfs/dbraw/zinc/43/22/61/567432261.db2.gz GOMWKQRISGKBCR-NVXWUHKLSA-N -1 3 375.266 3.330 10 0 GGAEHM CC(C)c1nc(S(=O)(=O)[N-]Cc2ccc(Br)c(F)c2F)c[nH]1 ZINC000528531760 567434367 /nfs/dbraw/zinc/43/43/67/567434367.db2.gz JMJUFCZTUXVPHQ-UHFFFAOYSA-N -1 3 394.241 3.052 10 0 GGAEHM CN1CCO[C@@H](CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000569810283 567434881 /nfs/dbraw/zinc/43/48/81/567434881.db2.gz GXUAIMKNQDHRPN-LLVKDONJSA-N -1 3 377.491 3.221 10 0 GGAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000528548375 567436013 /nfs/dbraw/zinc/43/60/13/567436013.db2.gz JNLMXYIMDKWFNQ-YDEXJTGXSA-N -1 3 382.707 3.193 10 0 GGAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000528555480 567437510 /nfs/dbraw/zinc/43/75/10/567437510.db2.gz QNUDDNVYPRPXCQ-YDEXJTGXSA-N -1 3 382.707 3.193 10 0 GGAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000528556926 567438610 /nfs/dbraw/zinc/43/86/10/567438610.db2.gz UDVBVHOGHAONPV-NMSKTSORSA-N -1 3 382.707 3.193 10 0 GGAEHM O=S(=O)([N-][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)c1cccnc1C(F)(F)F ZINC000528559234 567439026 /nfs/dbraw/zinc/43/90/26/567439026.db2.gz WUBKBAURFMRYHT-ZLKJLUDKSA-N -1 3 388.798 3.370 10 0 GGAEHM Cn1ncc(C2CCC2)c1CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000619241521 567439454 /nfs/dbraw/zinc/43/94/54/567439454.db2.gz KVTFGONJBOIKCS-UHFFFAOYSA-N -1 3 378.270 3.015 10 0 GGAEHM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1Br ZINC000569988430 567450008 /nfs/dbraw/zinc/45/00/08/567450008.db2.gz KRKOHHUJIKUSNO-UHFFFAOYSA-N -1 3 383.267 3.278 10 0 GGAEHM O=C(Nc1cc(I)ccc1[O-])[C@@H]1Cc2ccc(F)cc21 ZINC000619441184 567452596 /nfs/dbraw/zinc/45/25/96/567452596.db2.gz KGDAWVMGTDWEAA-GFCCVEGCSA-N -1 3 383.160 3.414 10 0 GGAEHM COc1cccc(C(=O)Nc2ccc(CN(C)C)c(Br)c2)c1[O-] ZINC000436794648 567452606 /nfs/dbraw/zinc/45/26/06/567452606.db2.gz WBKXSCVNGJJTFT-UHFFFAOYSA-N -1 3 379.254 3.477 10 0 GGAEHM Cc1cccc(C(=O)NCCc2ccc(I)s2)c1[O-] ZINC000436785862 567453023 /nfs/dbraw/zinc/45/30/23/567453023.db2.gz BCAKTXOMHFOQKB-UHFFFAOYSA-N -1 3 387.242 3.339 10 0 GGAEHM CCn1nc(C(=O)Nc2cc(Br)ccc2[O-])c(=O)c2ccccc21 ZINC000436796053 567453145 /nfs/dbraw/zinc/45/31/45/567453145.db2.gz HVLJVDBEUBHMRQ-UHFFFAOYSA-N -1 3 388.221 3.137 10 0 GGAEHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000594030825 567454028 /nfs/dbraw/zinc/45/40/28/567454028.db2.gz SFEVGRUNKPHOIF-RYUDHWBXSA-N -1 3 382.423 3.386 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)s2)c(F)c1 ZINC000619475673 567457770 /nfs/dbraw/zinc/45/77/70/567457770.db2.gz AVGBAZDHKHIWBU-QMMMGPOBSA-N -1 3 377.846 3.367 10 0 GGAEHM Cc1noc(C2CCC(NC(=O)c3cc([O-])cc(Br)c3)CC2)n1 ZINC000528807015 567458559 /nfs/dbraw/zinc/45/85/59/567458559.db2.gz JSSNOGNPOAKCOQ-UHFFFAOYSA-N -1 3 380.242 3.302 10 0 GGAEHM COc1ccccc1N1CC[C@@H](NC(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528809672 567458778 /nfs/dbraw/zinc/45/87/78/567458778.db2.gz AYHSSZHINGFAEQ-CQSZACIVSA-N -1 3 391.265 3.172 10 0 GGAEHM C[C@@H]1CCCCN1CCNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436911380 567463948 /nfs/dbraw/zinc/46/39/48/567463948.db2.gz QGDJTZOYEDTOER-SNVBAGLBSA-N -1 3 375.694 3.412 10 0 GGAEHM O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1coc(Br)c1 ZINC000436916048 567466836 /nfs/dbraw/zinc/46/68/36/567466836.db2.gz UGGHMQPBEJEXQA-UHFFFAOYSA-N -1 3 383.589 3.439 10 0 GGAEHM O=c1[nH]c(COc2ccc(I)cc2)nc2ccc([O-])cc12 ZINC000436945527 567468443 /nfs/dbraw/zinc/46/84/43/567468443.db2.gz ALUGYNNOFHKYLX-UHFFFAOYSA-N -1 3 394.168 3.225 10 0 GGAEHM CN1CC[C@H](NC(=O)c2cc([O-])cc(Br)c2)[C@@H]1c1ccccc1 ZINC000528912358 567468582 /nfs/dbraw/zinc/46/85/82/567468582.db2.gz 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O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@H](c1nc[nH]n1)c1ccccc1 ZINC000372878656 565259011 /nfs/dbraw/zinc/25/90/11/565259011.db2.gz PBLWRSXUAVPHSB-HNNXBMFYSA-N -1 3 397.287 3.321 10 0 GGAEHM Cc1ncsc1CC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000295491652 565269619 /nfs/dbraw/zinc/26/96/19/565269619.db2.gz NGWQIQPAONMRCP-UHFFFAOYSA-N -1 3 395.731 3.388 10 0 GGAEHM CC(C)OCC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000186588193 565269725 /nfs/dbraw/zinc/26/97/25/565269725.db2.gz AHPANCFDHZIUBV-UHFFFAOYSA-N -1 3 390.221 3.171 10 0 GGAEHM Cc1ncc(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)s1 ZINC000272258795 565282557 /nfs/dbraw/zinc/28/25/57/565282557.db2.gz ZTRLOUMKQXGKPO-UHFFFAOYSA-N -1 3 395.731 3.487 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)c2c[nH]c3cccc(Br)c23)n[n-]1 ZINC000161695398 565291388 /nfs/dbraw/zinc/29/13/88/565291388.db2.gz CGFJKJRRNMOUCA-UHFFFAOYSA-N -1 3 385.225 3.306 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)c2c[nH]c3cccc(Br)c23)[n-]n1 ZINC000161695398 565291390 /nfs/dbraw/zinc/29/13/90/565291390.db2.gz CGFJKJRRNMOUCA-UHFFFAOYSA-N -1 3 385.225 3.306 10 0 GGAEHM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000296109345 565302558 /nfs/dbraw/zinc/30/25/58/565302558.db2.gz NITZJPUBVFBPNA-MWLCHTKSSA-N -1 3 382.379 3.000 10 0 GGAEHM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c2ccccc21 ZINC000162289435 565311688 /nfs/dbraw/zinc/31/16/88/565311688.db2.gz FBPSWGKBCSEILY-CJNGLKHVSA-N -1 3 379.503 3.007 10 0 GGAEHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187161836 565313844 /nfs/dbraw/zinc/31/38/44/565313844.db2.gz APDCMTDYPBDDIJ-KGLIPLIRSA-N -1 3 375.918 3.326 10 0 GGAEHM CNC(=O)c1cccc(CCC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000162386138 565315052 /nfs/dbraw/zinc/31/50/52/565315052.db2.gz QOCVRPPTYNPSEO-UHFFFAOYSA-N -1 3 377.238 3.086 10 0 GGAEHM CCc1nc(C[N-]S(=O)(=O)c2cc(C)cc(Br)c2)cs1 ZINC000187171099 565315069 /nfs/dbraw/zinc/31/50/69/565315069.db2.gz HTJBSIJLHLSLOT-UHFFFAOYSA-N -1 3 375.313 3.255 10 0 GGAEHM Cc1cnc(CCN(C)C(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000162467011 565317238 /nfs/dbraw/zinc/31/72/38/565317238.db2.gz DXCFSYFUUJPOQO-UHFFFAOYSA-N -1 3 384.299 3.304 10 0 GGAEHM COc1cc(S(=O)(=O)[N-]C[C@@H](C)C(C)C)c(OC)cc1Br ZINC000187315162 565323137 /nfs/dbraw/zinc/32/31/37/565323137.db2.gz OXNUIFNOKRKOKX-SNVBAGLBSA-N -1 3 380.304 3.037 10 0 GGAEHM Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000162925019 565332276 /nfs/dbraw/zinc/33/22/76/565332276.db2.gz VRSZJHKMQVPNNZ-ZDUSSCGKSA-N -1 3 375.281 3.015 10 0 GGAEHM COc1ccc(F)cc1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000187756924 565352569 /nfs/dbraw/zinc/35/25/69/565352569.db2.gz SLEPYDUZLIYZBU-UHFFFAOYSA-N -1 3 383.217 3.302 10 0 GGAEHM COc1ccsc1S(=O)(=O)[N-][C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000374764666 565354506 /nfs/dbraw/zinc/35/45/06/565354506.db2.gz IVPQZRZAAUXSNQ-AWEZNQCLSA-N -1 3 381.523 3.424 10 0 GGAEHM CCOCCO[C@H]1CCN(Cc2cc(Br)c([O-])c(OCC)c2)C1 ZINC000297298815 565366579 /nfs/dbraw/zinc/36/65/79/565366579.db2.gz BEECSMKWRDASRF-AWEZNQCLSA-N -1 3 388.302 3.181 10 0 GGAEHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccnc(C)c3Cl)cc2C[C@H]1C ZINC000165270166 565369244 /nfs/dbraw/zinc/36/92/44/565369244.db2.gz DEAWYZDKCASFIO-SNVBAGLBSA-N -1 3 379.869 3.142 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)cc1Cl ZINC000165253360 565369470 /nfs/dbraw/zinc/36/94/70/565369470.db2.gz SNSQRHONCZMXGH-UHFFFAOYSA-N -1 3 375.233 3.284 10 0 GGAEHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)c1 ZINC000165274440 565369871 /nfs/dbraw/zinc/36/98/71/565369871.db2.gz AGCDKLANCAXWLE-UHFFFAOYSA-N -1 3 375.233 3.284 10 0 GGAEHM Cc1nn(C)c(C)c1[C@@H]1COCCN1Cc1cc([O-])ccc1Br ZINC000375269552 565379296 /nfs/dbraw/zinc/37/92/96/565379296.db2.gz ZTZBUEMXMRDFAV-INIZCTEOSA-N -1 3 380.286 3.079 10 0 GGAEHM CCOc1cc(CNCc2cccc(N(C)C)n2)cc(Br)c1[O-] ZINC000297615910 565379302 /nfs/dbraw/zinc/37/93/02/565379302.db2.gz KZTYMMJZIVBQEP-UHFFFAOYSA-N -1 3 380.286 3.304 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(-n3ccnn3)cc2)sc1Cl ZINC000188133870 565381391 /nfs/dbraw/zinc/38/13/91/565381391.db2.gz DMUDOIBXOODIAU-NSHDSACASA-N -1 3 382.898 3.330 10 0 GGAEHM Cn1c(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)nnc1C1CCC1 ZINC000188181937 565385451 /nfs/dbraw/zinc/38/54/51/565385451.db2.gz GVDDMWRVTDDEEY-UHFFFAOYSA-N -1 3 393.271 3.007 10 0 GGAEHM CC(C)n1ncc2c1C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)CC2 ZINC000375462591 565389755 /nfs/dbraw/zinc/38/97/55/565389755.db2.gz PRSYNAIGENBFAT-LLVKDONJSA-N -1 3 389.308 3.002 10 0 GGAEHM COC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000170735412 565389764 /nfs/dbraw/zinc/38/97/64/565389764.db2.gz HJGFYPRLSOWRJU-AWEZNQCLSA-N -1 3 388.258 3.254 10 0 GGAEHM CC(C)n1ncc2c1C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)CC2 ZINC000375462592 565389839 /nfs/dbraw/zinc/38/98/39/565389839.db2.gz PRSYNAIGENBFAT-NSHDSACASA-N -1 3 389.308 3.002 10 0 GGAEHM CCOc1cc(CN2CC[C@H](COCCOC)C2)cc(Br)c1[O-] ZINC000297874085 565390104 /nfs/dbraw/zinc/39/01/04/565390104.db2.gz PYINOIZUYUUORH-ZDUSSCGKSA-N -1 3 388.302 3.038 10 0 GGAEHM CCOc1cc(CN[C@@H]2CCCc3nn(C)cc32)cc(Br)c1[O-] ZINC000298134245 565400785 /nfs/dbraw/zinc/40/07/85/565400785.db2.gz QGVFMEZVXODRDM-CQSZACIVSA-N -1 3 380.286 3.454 10 0 GGAEHM CCOc1cc(CN[C@H](c2nncn2C)C(C)C)cc(Br)c1[O-] ZINC000298209865 565403830 /nfs/dbraw/zinc/40/38/30/565403830.db2.gz YXCJNGBVAWLBMM-AWEZNQCLSA-N -1 3 383.290 3.169 10 0 GGAEHM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000188522310 565406909 /nfs/dbraw/zinc/40/69/09/565406909.db2.gz KIRWVWXHADANHS-YUMQZZPRSA-N -1 3 390.221 3.170 10 0 GGAEHM CCOc1cc(CNCc2ccc(N(C)C)nc2)cc(Br)c1[O-] ZINC000298417085 565413034 /nfs/dbraw/zinc/41/30/34/565413034.db2.gz PGZGTMGSLKCPQO-UHFFFAOYSA-N -1 3 380.286 3.304 10 0 GGAEHM CC(C)[C@@H](C(=O)Nc1cc([O-])c(Br)cc1Br)N(C)C ZINC000298825857 565431308 /nfs/dbraw/zinc/43/13/08/565431308.db2.gz BQHBRRSFRGQDBU-LBPRGKRZSA-N -1 3 394.107 3.442 10 0 GGAEHM COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cccc2nn[n-]c21 ZINC000189143827 565446789 /nfs/dbraw/zinc/44/67/89/565446789.db2.gz BGZYPAYEVXPOQN-SECBINFHSA-N -1 3 375.226 3.220 10 0 GGAEHM COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cccc2[n-]nnc21 ZINC000189143827 565446796 /nfs/dbraw/zinc/44/67/96/565446796.db2.gz BGZYPAYEVXPOQN-SECBINFHSA-N -1 3 375.226 3.220 10 0 GGAEHM COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC000189143827 565446801 /nfs/dbraw/zinc/44/68/01/565446801.db2.gz BGZYPAYEVXPOQN-SECBINFHSA-N -1 3 375.226 3.220 10 0 GGAEHM O=S(=O)([N-]C1CCN(c2ncc(C(F)(F)F)s2)CC1)c1cccs1 ZINC000276984826 565469851 /nfs/dbraw/zinc/46/98/51/565469851.db2.gz ZTINRAHPSQLKAD-UHFFFAOYSA-N -1 3 397.469 3.171 10 0 GGAEHM C[C@](O)(CNC(=O)NCc1ccc([O-])c(Br)c1)C1CCCCC1 ZINC000189605554 565477383 /nfs/dbraw/zinc/47/73/83/565477383.db2.gz LINKXDVBEZNVOM-KRWDZBQOSA-N -1 3 385.302 3.285 10 0 GGAEHM COc1cccc(CN[C@@H](Cc2cccc(Br)c2)C(=O)[O-])c1OC ZINC000277245194 565484814 /nfs/dbraw/zinc/48/48/14/565484814.db2.gz JMKWQYXCVHIWOK-HNNXBMFYSA-N -1 3 394.265 3.252 10 0 GGAEHM CC(C)[C@H](C)CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000172578885 565492695 /nfs/dbraw/zinc/49/26/95/565492695.db2.gz YXRBTCXRLVVCAW-LLVKDONJSA-N -1 3 381.325 3.070 10 0 GGAEHM C[C@@H]([N-]c1nc(-c2cccc(Cl)c2)no1)c1cccc(S(N)(=O)=O)c1 ZINC000301557537 565495312 /nfs/dbraw/zinc/49/53/12/565495312.db2.gz XAPCAGMYUHVFLF-SNVBAGLBSA-N -1 3 378.841 3.211 10 0 GGAEHM Cc1csc2c1ncnc2N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000189971199 565499794 /nfs/dbraw/zinc/49/97/94/565499794.db2.gz IFBKWLAHUZQBEA-UHFFFAOYSA-N -1 3 394.547 3.009 10 0 GGAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCc2cc(Cl)ccc21 ZINC000190030718 565503339 /nfs/dbraw/zinc/50/33/39/565503339.db2.gz SWWNWBZNWYCYPY-CYBMUJFWSA-N -1 3 385.894 3.462 10 0 GGAEHM O=S(=O)([N-]CCNc1ccc2c(Cl)ccnc2c1F)c1cccs1 ZINC000301793356 565511030 /nfs/dbraw/zinc/51/10/30/565511030.db2.gz SAJLIKKUDQRYGU-UHFFFAOYSA-N -1 3 385.873 3.479 10 0 GGAEHM Cc1cccc2c(NCC[N-]S(=O)(=O)c3ccc(Cl)s3)ncnc12 ZINC000301795797 565511096 /nfs/dbraw/zinc/51/10/96/565511096.db2.gz PYCKCHXRTIGJFJ-UHFFFAOYSA-N -1 3 382.898 3.044 10 0 GGAEHM CCc1nc2n(n1)CCC[C@H]2NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000190269513 565519598 /nfs/dbraw/zinc/51/95/98/565519598.db2.gz NPZZANISEBXGDW-SNVBAGLBSA-N -1 3 376.873 3.210 10 0 GGAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCCc2cc(F)ccc21 ZINC000190376196 565527015 /nfs/dbraw/zinc/52/70/15/565527015.db2.gz YXKMRELIVNFHAZ-AWEZNQCLSA-N -1 3 383.466 3.338 10 0 GGAEHM Cc1nc(CC2CC2)sc1C(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000190499177 565536746 /nfs/dbraw/zinc/53/67/46/565536746.db2.gz RWCFIVDXIIXVKD-UHFFFAOYSA-N -1 3 379.507 3.336 10 0 GGAEHM CO[C@@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CC1 ZINC000380674251 565539441 /nfs/dbraw/zinc/53/94/41/565539441.db2.gz XOLCKWKGNZQNRB-ZDUSSCGKSA-N -1 3 382.707 3.196 10 0 GGAEHM CC(C)COCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000380158487 565540079 /nfs/dbraw/zinc/54/00/79/565540079.db2.gz ZAGBPCKDVMKOGM-UHFFFAOYSA-N -1 3 384.723 3.444 10 0 GGAEHM COCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCC1 ZINC000380456103 565540120 /nfs/dbraw/zinc/54/01/20/565540120.db2.gz OFJNDYAHTKXOLX-UHFFFAOYSA-N -1 3 382.707 3.198 10 0 GGAEHM CO[C@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CC1 ZINC000380674250 565540410 /nfs/dbraw/zinc/54/04/10/565540410.db2.gz XOLCKWKGNZQNRB-CYBMUJFWSA-N -1 3 382.707 3.196 10 0 GGAEHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N=c1[nH][n-]cc1Br ZINC000380369572 565540416 /nfs/dbraw/zinc/54/04/16/565540416.db2.gz QRDDRTFHYUGBFZ-LURJTMIESA-N -1 3 379.041 3.307 10 0 GGAEHM O=S(=O)([N-]CCCCF)c1ccc(Br)cc1Br ZINC000382452402 565542952 /nfs/dbraw/zinc/54/29/52/565542952.db2.gz OCHZBDHNNATHIB-UHFFFAOYSA-N -1 3 389.084 3.240 10 0 GGAEHM CC(C)CCOCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000383215368 565543143 /nfs/dbraw/zinc/54/31/43/565543143.db2.gz LGOBZNWOIVYFKG-UHFFFAOYSA-N -1 3 384.723 3.444 10 0 GGAEHM O=S(=O)([N-]CCC1CCOCC1)c1c(Cl)cccc1Br ZINC000383624978 565544310 /nfs/dbraw/zinc/54/43/10/565544310.db2.gz HLHYCFCIBBOVRY-UHFFFAOYSA-N -1 3 382.707 3.198 10 0 GGAEHM O=S(=O)([N-][C@@H]1CCN2CCCC[C@@H]12)c1c(Cl)cccc1Br ZINC000385913424 565546399 /nfs/dbraw/zinc/54/63/99/565546399.db2.gz HUYUCAXKQWYJDF-OLZOCXBDSA-N -1 3 393.734 3.008 10 0 GGAEHM CN1CCC[C@H](C[N-]S(=O)(=O)c2c(F)cccc2F)[C@@H]1c1cccs1 ZINC000173324064 565547809 /nfs/dbraw/zinc/54/78/09/565547809.db2.gz HGEYYVPZRDKFAH-MLGOLLRUSA-N -1 3 386.489 3.388 10 0 GGAEHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2F)[C@@H]1c1cccs1 ZINC000173324081 565548319 /nfs/dbraw/zinc/54/83/19/565548319.db2.gz HGEYYVPZRDKFAH-BLLLJJGKSA-N -1 3 386.489 3.388 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@H]1CCCOC1 ZINC000389116564 565553630 /nfs/dbraw/zinc/55/36/30/565553630.db2.gz HWWXLMYAAPJUNF-ZJUUUORDSA-N -1 3 382.707 3.196 10 0 GGAEHM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000173471228 565559550 /nfs/dbraw/zinc/55/95/50/565559550.db2.gz IJZHYIDLWMHAHZ-VIFPVBQESA-N -1 3 376.309 3.253 10 0 GGAEHM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000173471210 565559665 /nfs/dbraw/zinc/55/96/65/565559665.db2.gz IJZHYIDLWMHAHZ-SECBINFHSA-N -1 3 376.309 3.253 10 0 GGAEHM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000173477676 565559977 /nfs/dbraw/zinc/55/99/77/565559977.db2.gz LKFUCPYZQMHBGD-SECBINFHSA-N -1 3 376.309 3.253 10 0 GGAEHM COc1cc(Br)c(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc1OC ZINC000390991821 565560569 /nfs/dbraw/zinc/56/05/69/565560569.db2.gz GZTZLEZVKKBPCY-KANYHAFZSA-N -1 3 384.270 3.151 10 0 GGAEHM CCO[C@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1OC)C(C)C ZINC000173522483 565563827 /nfs/dbraw/zinc/56/38/27/565563827.db2.gz UBRDHPCDKSQWQA-CYBMUJFWSA-N -1 3 394.331 3.187 10 0 GGAEHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000303089546 565566760 /nfs/dbraw/zinc/56/67/60/565566760.db2.gz HRHWZXDUEWWQNP-FRRDWIJNSA-N -1 3 392.974 3.257 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)c(Cl)c1 ZINC000303149664 565567146 /nfs/dbraw/zinc/56/71/46/565567146.db2.gz RHSFVMVPJKDLOG-UHFFFAOYSA-N -1 3 379.865 3.484 10 0 GGAEHM O=S(=O)([N-][C@@H]1C[C@H]2C[C@H]2C1)c1cc(Br)ccc1Br ZINC000397732769 565576205 /nfs/dbraw/zinc/57/62/05/565576205.db2.gz GJSLSZTVCDSIAO-DIYOJNKTSA-N -1 3 395.116 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COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc2ccccc21)c1cccs1 ZINC000328368693 565634268 /nfs/dbraw/zinc/63/42/68/565634268.db2.gz VOBQTOZNYUIHEZ-HNNXBMFYSA-N -1 3 375.471 3.484 10 0 GGAEHM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000330365922 565702581 /nfs/dbraw/zinc/70/25/81/565702581.db2.gz JGIQKCYSIWFEPT-VIFPVBQESA-N -1 3 384.723 3.178 10 0 GGAEHM O=C(Nc1cc(F)ccc1[O-])c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000174886664 565665269 /nfs/dbraw/zinc/66/52/69/565665269.db2.gz GLOPUPBMVNCZQH-UHFFFAOYSA-N -1 3 377.169 3.388 10 0 GGAEHM O=S(=O)([N-]CCCc1ccccn1)c1ccc(Cl)c(Br)c1 ZINC000192225773 565671445 /nfs/dbraw/zinc/67/14/45/565671445.db2.gz JWKVQLFCMBHEDM-UHFFFAOYSA-N -1 3 389.702 3.409 10 0 GGAEHM O=C(CSc1n[n-]c(=S)s1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000175071622 565677278 /nfs/dbraw/zinc/67/72/78/565677278.db2.gz KOVPLLVMAJMGAI-AWEZNQCLSA-N -1 3 394.591 3.464 10 0 GGAEHM C[C@H]1CC[C@H](C)N(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000175154101 565682300 /nfs/dbraw/zinc/68/23/00/565682300.db2.gz 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C[C@H]1CCC[C@@H](CCNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000522402297 567115914 /nfs/dbraw/zinc/11/59/14/567115914.db2.gz KWBMMBIHGOEKAR-RYUDHWBXSA-N -1 3 378.947 3.012 10 0 GGAEHM CC(C)n1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)n1 ZINC000566024223 567118868 /nfs/dbraw/zinc/11/88/68/567118868.db2.gz MAVIITQCFHEDOA-UHFFFAOYSA-N -1 3 392.706 3.358 10 0 GGAEHM CCOC(=O)[C@H](CCOC(C)(C)C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473947400 567119310 /nfs/dbraw/zinc/11/93/10/567119310.db2.gz SADARCPDQAQOCA-NSHDSACASA-N -1 3 397.946 3.125 10 0 GGAEHM O=C(NCCCNCc1cccnc1)c1cc(Br)cc(Cl)c1[O-] ZINC000566067526 567124967 /nfs/dbraw/zinc/12/49/67/567124967.db2.gz LWNAPMMUDUALBX-UHFFFAOYSA-N -1 3 398.688 3.113 10 0 GGAEHM CN(CCOC(C)(C)C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000683494924 567127578 /nfs/dbraw/zinc/12/75/78/567127578.db2.gz IRQDAJARFXTBOC-UHFFFAOYSA-N -1 3 381.270 3.178 10 0 GGAEHM COCCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CCCC1 ZINC000683470769 567128429 /nfs/dbraw/zinc/12/84/29/567128429.db2.gz 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567133813 /nfs/dbraw/zinc/13/38/13/567133813.db2.gz BITSUNCEMBVDMW-UHFFFAOYSA-N -1 3 382.707 3.198 10 0 GGAEHM O=S(=O)([N-]CCc1cccc(C(F)(F)F)n1)c1cc(F)c(F)c(F)c1 ZINC000432298999 567146890 /nfs/dbraw/zinc/14/68/90/567146890.db2.gz ZRUNQJHNOMYWHS-UHFFFAOYSA-N -1 3 384.301 3.039 10 0 GGAEHM CCOC(=O)Cc1ccccc1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000614915395 567147000 /nfs/dbraw/zinc/14/70/00/567147000.db2.gz OEPQBCSNQYUIDP-UHFFFAOYSA-N -1 3 392.249 3.442 10 0 GGAEHM CCOC(=O)CCC1CCN(C(=O)Cc2ccc(Br)cc2[O-])CC1 ZINC000614922696 567147564 /nfs/dbraw/zinc/14/75/64/567147564.db2.gz BOULSPSAMXSIIW-UHFFFAOYSA-N -1 3 398.297 3.279 10 0 GGAEHM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1F ZINC000566338126 567150651 /nfs/dbraw/zinc/15/06/51/567150651.db2.gz NHZIBPSZAZJPPR-ZUZCIYMTSA-N -1 3 377.359 3.245 10 0 GGAEHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCC2CCCC2)cc1 ZINC000523411573 567155349 /nfs/dbraw/zinc/15/53/49/567155349.db2.gz APZYGASXDOCAJB-UHFFFAOYSA-N -1 3 388.555 3.087 10 0 GGAEHM O=C(N[C@H]1CCOc2c(Br)cccc21)c1cc(=O)[n-]c(C2CC2)n1 ZINC000566459625 567159879 /nfs/dbraw/zinc/15/98/79/567159879.db2.gz FQMMGIVPWZKIBY-LBPRGKRZSA-N -1 3 390.237 3.076 10 0 GGAEHM O=C(CNC(=O)c1ccsc1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000589166069 567160213 /nfs/dbraw/zinc/16/02/13/567160213.db2.gz PFVNNTNMNRSJHB-UHFFFAOYSA-N -1 3 395.271 3.235 10 0 GGAEHM COc1nnc([N-]C(=O)c2ccc(Sc3ccccc3Cl)nn2)s1 ZINC000683904932 567161033 /nfs/dbraw/zinc/16/10/33/567161033.db2.gz VJXUOOMWQLBTLO-UHFFFAOYSA-N -1 3 379.854 3.394 10 0 GGAEHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546799195 567160998 /nfs/dbraw/zinc/16/09/98/567160998.db2.gz HUOFDWWDWHAXRT-UHFFFAOYSA-N -1 3 380.647 3.183 10 0 GGAEHM O=C(CCOC[C@@H]1CCCO1)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000589165766 567161506 /nfs/dbraw/zinc/16/15/06/567161506.db2.gz AQOQLADCZKEMEP-AWEZNQCLSA-N -1 3 384.263 3.330 10 0 GGAEHM O=C(CN1CCCCCC1=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000589167457 567162162 /nfs/dbraw/zinc/16/21/62/567162162.db2.gz YVWSDOCVFZZGCA-UHFFFAOYSA-N -1 3 381.263 3.147 10 0 GGAEHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000546885637 567168413 /nfs/dbraw/zinc/16/84/13/567168413.db2.gz RFLNXRSBBATHSM-SECBINFHSA-N -1 3 390.221 3.467 10 0 GGAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1cc(F)c(Cl)cc1F ZINC000589230255 567168715 /nfs/dbraw/zinc/16/87/15/567168715.db2.gz GIVCSRCFGUNGQY-UHFFFAOYSA-N -1 3 393.795 3.093 10 0 GGAEHM O=S(=O)([N-]Cc1nc(CSc2ccc(F)cc2)no1)c1cccs1 ZINC000546939584 567173843 /nfs/dbraw/zinc/17/38/43/567173843.db2.gz XQSTZDOMZKTXKU-UHFFFAOYSA-N -1 3 385.467 3.041 10 0 GGAEHM Cc1nn2cc(S(=O)(=O)[N-][C@H](C)c3ccc(Cl)cc3)cnc2c1Cl ZINC000432629026 567173930 /nfs/dbraw/zinc/17/39/30/567173930.db2.gz AWXVJPACNNCTCH-SECBINFHSA-N -1 3 385.276 3.384 10 0 GGAEHM O=S(=O)([N-]Cc1cc(F)cc(Br)c1)c1ccc(F)cc1F ZINC000615301595 567176581 /nfs/dbraw/zinc/17/65/81/567176581.db2.gz AZIXMBSELPQGEL-UHFFFAOYSA-N -1 3 380.185 3.345 10 0 GGAEHM Cc1nc(CS(=O)(=O)[N-][C@@H]2CCCc3cn(C4CCCC4)nc32)cs1 ZINC000684107373 567180315 /nfs/dbraw/zinc/18/03/15/567180315.db2.gz YQHVRUMEWKVPBU-MRXNPFEDSA-N -1 3 380.539 3.260 10 0 GGAEHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc(Br)cc2[nH]cnc21 ZINC000566742793 567184266 /nfs/dbraw/zinc/18/42/66/567184266.db2.gz YOSUFESFALBVKU-UHFFFAOYSA-N -1 3 382.221 3.390 10 0 GGAEHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc(Br)cc2nc[nH]c21 ZINC000566742793 567184276 /nfs/dbraw/zinc/18/42/76/567184276.db2.gz YOSUFESFALBVKU-UHFFFAOYSA-N -1 3 382.221 3.390 10 0 GGAEHM CC(C)(C)CC(C)(C)N1CCN(C(=O)N=c2[n-]nc(C(F)F)s2)CC1 ZINC000454591459 567186489 /nfs/dbraw/zinc/18/64/89/567186489.db2.gz ODRCMOUSIIUUMA-UHFFFAOYSA-N -1 3 375.489 3.262 10 0 GGAEHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc2nc(C)sc2c1)c1cccs1 ZINC000589884735 567195268 /nfs/dbraw/zinc/19/52/68/567195268.db2.gz NNPURWVAEBAFIT-ZDUSSCGKSA-N -1 3 396.515 3.249 10 0 GGAEHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc2nc(C)sc2c1)c1cccs1 ZINC000589884731 567195276 /nfs/dbraw/zinc/19/52/76/567195276.db2.gz NNPURWVAEBAFIT-CYBMUJFWSA-N -1 3 396.515 3.249 10 0 GGAEHM COC(=O)c1cnc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c(Cl)c1 ZINC000566889565 567199149 /nfs/dbraw/zinc/19/91/49/567199149.db2.gz OOLKPYDNYJOEPF-UHFFFAOYSA-N -1 3 375.233 3.117 10 0 GGAEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)C1(c2cccc(Br)c2)CC1 ZINC000524419956 567199916 /nfs/dbraw/zinc/19/99/16/567199916.db2.gz IKTCCJXRGYUBCV-UHFFFAOYSA-N -1 3 383.249 3.326 10 0 GGAEHM CC1(F)CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)C1 ZINC000684328868 567200983 /nfs/dbraw/zinc/20/09/83/567200983.db2.gz MJEVCSRRXADHBQ-UHFFFAOYSA-N -1 3 382.844 3.325 10 0 GGAEHM CC(C)(COCC(F)F)C(=O)Nc1cc(I)ccc1[O-] ZINC000615772141 567205030 /nfs/dbraw/zinc/20/50/30/567205030.db2.gz HGMFZUVYGYQLON-UHFFFAOYSA-N -1 3 399.175 3.243 10 0 GGAEHM CC(=O)c1cccc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)c1 ZINC000432949774 567207206 /nfs/dbraw/zinc/20/72/06/567207206.db2.gz QAHNOONICXBWAK-OAHLLOKOSA-N -1 3 375.343 3.452 10 0 GGAEHM C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)C(C)(C)C ZINC000566977738 567207891 /nfs/dbraw/zinc/20/78/91/567207891.db2.gz YQWNKLKWPKITAL-SNVBAGLBSA-N -1 3 381.420 3.083 10 0 GGAEHM CCn1nc(C)c(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)c1C ZINC000432964520 567209239 /nfs/dbraw/zinc/20/92/39/567209239.db2.gz IFDNOOZNXULDLL-CYBMUJFWSA-N -1 3 379.379 3.083 10 0 GGAEHM CC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)cc1 ZINC000432965828 567211275 /nfs/dbraw/zinc/21/12/75/567211275.db2.gz PULLWWDXRYPXBX-OAHLLOKOSA-N -1 3 375.343 3.452 10 0 GGAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCCc2occc2C1 ZINC000567037876 567212318 /nfs/dbraw/zinc/21/23/18/567212318.db2.gz GJULUJBOUQNXJD-UHFFFAOYSA-N -1 3 387.233 3.472 10 0 GGAEHM CO[C@H]1CCCC[C@@H]1C(=O)Nc1cc(I)ccc1[O-] ZINC000590316370 567219729 /nfs/dbraw/zinc/21/97/29/567219729.db2.gz PSZSVNOKMQIGPQ-GWCFXTLKSA-N -1 3 375.206 3.141 10 0 GGAEHM CO[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(I)ccc1[O-] ZINC000590316371 567219780 /nfs/dbraw/zinc/21/97/80/567219780.db2.gz PSZSVNOKMQIGPQ-GXFFZTMASA-N -1 3 375.206 3.141 10 0 GGAEHM CC(C)(C)OC(=O)CSCC(=O)Nc1ccc(Br)cc1[O-] ZINC000524956519 567222256 /nfs/dbraw/zinc/22/22/56/567222256.db2.gz IWJWBBIORBIYRT-UHFFFAOYSA-N -1 3 376.272 3.168 10 0 GGAEHM CC(C)C[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1cccs1 ZINC000616021900 567222457 /nfs/dbraw/zinc/22/24/57/567222457.db2.gz UZMSOJDGTZAFKW-ZDUSSCGKSA-N -1 3 387.548 3.217 10 0 GGAEHM CC(=O)CC(C)(C)CC(=O)Nc1cc(I)ccc1[O-] ZINC000616018765 567222730 /nfs/dbraw/zinc/22/27/30/567222730.db2.gz GMMGLIXLCYLFHX-UHFFFAOYSA-N -1 3 375.206 3.331 10 0 GGAEHM Cn1nccc1C1CCN([C@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC000659786748 567226669 /nfs/dbraw/zinc/22/66/69/567226669.db2.gz BCJZCMNDWIHYIQ-INIZCTEOSA-N -1 3 378.270 3.188 10 0 GGAEHM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)cc1 ZINC000433143663 567227677 /nfs/dbraw/zinc/22/76/77/567227677.db2.gz ZVVVDQLKRWESGB-UHFFFAOYSA-N -1 3 391.873 3.382 10 0 GGAEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1c[nH]c2ccc(Br)cc12 ZINC000590507344 567228589 /nfs/dbraw/zinc/22/85/89/567228589.db2.gz XUKGJUDTSUEBJN-UHFFFAOYSA-N -1 3 382.221 3.390 10 0 GGAEHM O=C(Nc1cc(I)ccc1[O-])[C@@H]1CC12CCSCC2 ZINC000590666712 567238392 /nfs/dbraw/zinc/23/83/92/567238392.db2.gz RKYALJJFNWGAKT-JTQLQIEISA-N -1 3 389.258 3.469 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])Nc1ccc2c(c1)NC(=O)CC2 ZINC000547746208 567243406 /nfs/dbraw/zinc/24/34/06/567243406.db2.gz DWLSDSVVDLGNMD-UHFFFAOYSA-N -1 3 375.222 3.221 10 0 GGAEHM O=S(=O)([N-]CC1(CO)CC2(CCC2)C1)c1ccc(C(F)(F)F)cc1F ZINC000433341744 567243510 /nfs/dbraw/zinc/24/35/10/567243510.db2.gz HEQPNFAEEWPPCV-UHFFFAOYSA-N -1 3 381.391 3.066 10 0 GGAEHM Cn1cnc(-c2cccc(NC(=O)Cc3ccc(Br)cc3[O-])c2)n1 ZINC000433387992 567247740 /nfs/dbraw/zinc/24/77/40/567247740.db2.gz SQTNOHLCBPRIFZ-UHFFFAOYSA-N -1 3 387.237 3.131 10 0 GGAEHM CCC1(CC)CCc2nc([N-]C(=O)c3sccc3S(N)(=O)=O)sc2C1 ZINC000616466790 567247754 /nfs/dbraw/zinc/24/77/54/567247754.db2.gz SLCLJTNYHUORQW-UHFFFAOYSA-N -1 3 399.563 3.399 10 0 GGAEHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1C(C)(C)C1(F)F ZINC000660021443 567247835 /nfs/dbraw/zinc/24/78/35/567247835.db2.gz LSHMNQWKLAAKKY-IINYFYTJSA-N -1 3 397.871 3.323 10 0 GGAEHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccccc1Br)c1ccccc1 ZINC000660029805 567249220 /nfs/dbraw/zinc/24/92/20/567249220.db2.gz NXNJIAFADFLZFK-DLBZAZTESA-N -1 3 398.322 3.486 10 0 GGAEHM O=S(=O)([N-]CC1CCC(O)CC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000660025070 567249546 /nfs/dbraw/zinc/24/95/46/567249546.db2.gz HJJPDLZDUUMCRG-UHFFFAOYSA-N -1 3 387.807 3.068 10 0 GGAEHM O=S(=O)([N-]C[C@@H]1CC12CCSCC2)c1cc(F)ccc1OC(F)F ZINC000567487864 567250154 /nfs/dbraw/zinc/25/01/54/567250154.db2.gz KPELKBWISRYXAL-JTQLQIEISA-N -1 3 381.441 3.239 10 0 GGAEHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](O)C(C)C)c1 ZINC000660030182 567250591 /nfs/dbraw/zinc/25/05/91/567250591.db2.gz PRKZKUFMJRESFU-MSOLQXFVSA-N -1 3 383.897 3.385 10 0 GGAEHM CC[C@H](Cc1ccccc1Br)N(C)C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547839528 567250641 /nfs/dbraw/zinc/25/06/41/567250641.db2.gz JKRRKFMSCLFMDN-CYBMUJFWSA-N -1 3 395.301 3.098 10 0 GGAEHM Cc1nc(C)c(S(=O)(=O)[N-]CCc2ccccc2Br)s1 ZINC000433444869 567250807 /nfs/dbraw/zinc/25/08/07/567250807.db2.gz UQRMJUHLPQUULZ-UHFFFAOYSA-N -1 3 375.313 3.043 10 0 GGAEHM COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)C1CCC(F)CC1 ZINC000660033277 567251330 /nfs/dbraw/zinc/25/13/30/567251330.db2.gz AZUIEKHNVNLEHU-HSBZDZAISA-N -1 3 377.453 3.046 10 0 GGAEHM COc1cc(=NC(=O)c2csc(-c3ccc(Br)s3)n2)[n-]n1C ZINC000547861738 567251735 /nfs/dbraw/zinc/25/17/35/567251735.db2.gz QLPDIICYWFHEBH-UHFFFAOYSA-N -1 3 399.295 3.050 10 0 GGAEHM CO[C@H](C(=O)Nc1cc(Br)cc(C(C)(C)C)c1[O-])[C@@H]1CCOC1 ZINC000616688146 567251883 /nfs/dbraw/zinc/25/18/83/567251883.db2.gz MIDBZPRYFPOHNB-BMIGLBTASA-N -1 3 386.286 3.442 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000433460995 567252157 /nfs/dbraw/zinc/25/21/57/567252157.db2.gz SGDFTKDTCZEDEM-DZGCQCFKSA-N -1 3 383.828 3.100 10 0 GGAEHM CN1C(=O)CC[C@@H]1CC(=O)Nc1cc(Br)cc(C(C)(C)C)c1[O-] ZINC000616688210 567252357 /nfs/dbraw/zinc/25/23/57/567252357.db2.gz NHFFYBHLZUHLOE-LLVKDONJSA-N -1 3 383.286 3.402 10 0 GGAEHM CO[C@@H](C(=O)Nc1cc(Br)cc(C(C)(C)C)c1[O-])[C@H]1CCOC1 ZINC000616688149 567252898 /nfs/dbraw/zinc/25/28/98/567252898.db2.gz MIDBZPRYFPOHNB-ZUZCIYMTSA-N -1 3 386.286 3.442 10 0 GGAEHM COc1cc(S(=O)(=O)[N-][C@H](C(C)C)C2CC2)c(OC)cc1Br ZINC000660044698 567252930 /nfs/dbraw/zinc/25/29/30/567252930.db2.gz RZIPRLHUSRAHKJ-OAHLLOKOSA-N -1 3 392.315 3.179 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]C(C)(C)C(=O)NCC2CCCC2)c(Cl)cc1F ZINC000433491418 567253869 /nfs/dbraw/zinc/25/38/69/567253869.db2.gz OGRXUDWFZVKFOM-UHFFFAOYSA-N -1 3 390.908 3.151 10 0 GGAEHM O=S(=O)(C[C@H]1CCCC1(F)F)[N-][C@H](CO)c1cccc(Cl)c1Cl ZINC000660062179 567254277 /nfs/dbraw/zinc/25/42/77/567254277.db2.gz IBBXTBWNLSCJQN-BXKDBHETSA-N -1 3 388.263 3.382 10 0 GGAEHM O=S(=O)([N-][C@H]1COc2ccc(F)cc2C1)c1c(Cl)cccc1Cl ZINC000567541211 567254377 /nfs/dbraw/zinc/25/43/77/567254377.db2.gz UTWVZCTZDJRDHM-LLVKDONJSA-N -1 3 376.236 3.415 10 0 GGAEHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]CC1(O)CCC(F)(F)CC1 ZINC000660069281 567255896 /nfs/dbraw/zinc/25/58/96/567255896.db2.gz GPHIXMQNDJSSSE-UHFFFAOYSA-N -1 3 388.263 3.353 10 0 GGAEHM O=S(=O)(Cc1cc(Cl)sc1Cl)[N-]CC1(O)CCC(F)(F)CC1 ZINC000660071788 567256786 /nfs/dbraw/zinc/25/67/86/567256786.db2.gz MRBOVNRHVYEDTL-UHFFFAOYSA-N -1 3 394.292 3.415 10 0 GGAEHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccsc1 ZINC000475562062 567257339 /nfs/dbraw/zinc/25/73/39/567257339.db2.gz DRCJHYHZFMFAKO-UHFFFAOYSA-N -1 3 389.926 3.338 10 0 GGAEHM O=C(NCCOc1ncc(Cl)cc1Cl)c1cc(=O)c2ccccc2[n-]1 ZINC000475558792 567257603 /nfs/dbraw/zinc/25/76/03/567257603.db2.gz AVLOKHXLXMHLJZ-UHFFFAOYSA-N -1 3 378.215 3.039 10 0 GGAEHM CCc1cc(C(=O)N[C@@](C)(CO)c2ccc(Br)cc2)ccc1[O-] ZINC000616829178 567258853 /nfs/dbraw/zinc/25/88/53/567258853.db2.gz KSYWHUVIQNUEOB-SFHVURJKSA-N -1 3 378.266 3.355 10 0 GGAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCCc3c(C)cccc32)s1 ZINC000660117205 567263362 /nfs/dbraw/zinc/26/33/62/567263362.db2.gz VBBUYKRQXAKVDT-KRWDZBQOSA-N -1 3 378.519 3.049 10 0 GGAEHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000567651042 567263923 /nfs/dbraw/zinc/26/39/23/567263923.db2.gz DHIMCIAWQCPJMY-OLZOCXBDSA-N -1 3 375.512 3.026 10 0 GGAEHM O=C(NCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)c1ccccc1 ZINC000433656834 567264196 /nfs/dbraw/zinc/26/41/96/567264196.db2.gz QNMBEQRWNFKMQO-UHFFFAOYSA-N -1 3 394.905 3.263 10 0 GGAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c(C)cccc32)s1 ZINC000660117206 567265020 /nfs/dbraw/zinc/26/50/20/567265020.db2.gz VBBUYKRQXAKVDT-QGZVFWFLSA-N -1 3 378.519 3.049 10 0 GGAEHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000660119950 567265121 /nfs/dbraw/zinc/26/51/21/567265121.db2.gz XZKZPVGQOHDSBT-VIFPVBQESA-N -1 3 382.707 3.196 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)cc1Cl ZINC000499735574 567269138 /nfs/dbraw/zinc/26/91/38/567269138.db2.gz BOGJCCNFFHZUAA-JTQLQIEISA-N -1 3 381.828 3.230 10 0 GGAEHM COC(=O)c1[n-]c(=NC[C@H](C)Oc2ccccc2Br)sc1C ZINC000433784965 567272012 /nfs/dbraw/zinc/27/20/12/567272012.db2.gz GUQRGMXQLNOLEM-VIFPVBQESA-N -1 3 385.283 3.302 10 0 GGAEHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)O)cc1Cl ZINC000660164492 567273006 /nfs/dbraw/zinc/27/30/06/567273006.db2.gz YTIYIECXTYSQEC-QLJPJBMISA-N -1 3 390.288 3.402 10 0 GGAEHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)O)c(Cl)c1Cl ZINC000660164084 567273179 /nfs/dbraw/zinc/27/31/79/567273179.db2.gz XKNKLJOIBJYLOK-QFYYESIMSA-N -1 3 390.288 3.402 10 0 GGAEHM C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccccc1 ZINC000660161572 567273381 /nfs/dbraw/zinc/27/33/81/567273381.db2.gz GNBOLJWRJCIWSU-BONVTDFDSA-N -1 3 377.359 3.245 10 0 GGAEHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)O)s1 ZINC000660162164 567273603 /nfs/dbraw/zinc/27/36/03/567273603.db2.gz KTHSODIQNIDWTM-GXFFZTMASA-N -1 3 390.324 3.219 10 0 GGAEHM O=S(=O)([N-][C@H](c1ccncc1)C1(CO)CCC1)c1ccc(Cl)c(F)c1 ZINC000660163575 567273705 /nfs/dbraw/zinc/27/37/05/567273705.db2.gz AHHYLZYSRTXCHW-MRXNPFEDSA-N -1 3 384.860 3.056 10 0 GGAEHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000475771276 567274362 /nfs/dbraw/zinc/27/43/62/567274362.db2.gz HQSHHUHBFYCAOL-AWEZNQCLSA-N -1 3 382.295 3.054 10 0 GGAEHM COc1ccc(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)c(Br)c1[O-] ZINC000685441075 567275246 /nfs/dbraw/zinc/27/52/46/567275246.db2.gz SZRKWGNPYVWRSK-GZMMTYOYSA-N -1 3 384.192 3.315 10 0 GGAEHM CC(C)[C@@H]1C[C@@H](CNC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000455439350 567275255 /nfs/dbraw/zinc/27/52/55/567275255.db2.gz WMMWEBULWKZDKP-BBRMVZONSA-N -1 3 385.302 3.405 10 0 GGAEHM O=S(=O)([N-][C@H](c1ccncc1)C1(CO)CCC1)c1cccc(Cl)c1F ZINC000660165520 567275217 /nfs/dbraw/zinc/27/52/17/567275217.db2.gz GFOYCZUTVRLXNN-MRXNPFEDSA-N -1 3 384.860 3.056 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccncc2)C2(CO)CCC2)sc1Cl ZINC000660165803 567275282 /nfs/dbraw/zinc/27/52/82/567275282.db2.gz VQMSBHYAYHTQRA-AWEZNQCLSA-N -1 3 386.926 3.287 10 0 GGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000525967763 567278140 /nfs/dbraw/zinc/27/81/40/567278140.db2.gz ROFYWLVISZLSPM-YDHLFZDLSA-N -1 3 376.254 3.188 10 0 GGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc2cc(Br)ccc2[nH]1 ZINC000525966982 567278621 /nfs/dbraw/zinc/27/86/21/567278621.db2.gz IIVBPQHULKAMGQ-AWEZNQCLSA-N -1 3 375.226 3.179 10 0 GGAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C1(c2ccccc2Br)CC1 ZINC000525967091 567278959 /nfs/dbraw/zinc/27/89/59/567278959.db2.gz PDZOOBCFOFQIOZ-CQSZACIVSA-N -1 3 376.254 3.116 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000548078493 567278860 /nfs/dbraw/zinc/27/88/60/567278860.db2.gz ZVJHQYLMKGFSOM-IAOVAPTHSA-N -1 3 380.282 3.161 10 0 GGAEHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F)s1 ZINC000660197624 567280690 /nfs/dbraw/zinc/28/06/90/567280690.db2.gz GFZGAZOFIOVWFM-VIFPVBQESA-N -1 3 386.461 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COc1cc(CC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)ccc1Cl ZINC000549563007 567397875 /nfs/dbraw/zinc/39/78/75/567397875.db2.gz ZLXZKSWNKISJAS-UHFFFAOYSA-N -1 3 394.802 3.283 10 0 GGAEHM CSc1ccc([C@@H](C[N-]S(=O)(=O)c2nc(C)c(C)s2)N(C)C)cc1 ZINC000549630332 567401720 /nfs/dbraw/zinc/40/17/20/567401720.db2.gz ODTLSMBKBWKVEG-OAHLLOKOSA-N -1 3 385.580 3.063 10 0 GGAEHM C[C@]1(CCNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1(F)F ZINC000618630317 567404189 /nfs/dbraw/zinc/40/41/89/567404189.db2.gz WAVQXRWVZRFEJR-HNNXBMFYSA-N -1 3 385.208 3.456 10 0 GGAEHM CCN(CC)[C@@H](CNC(=O)Cc1ccc(Br)cc1[O-])c1ccco1 ZINC000477616855 567404851 /nfs/dbraw/zinc/40/48/51/567404851.db2.gz KPCUSUBESDGVTM-HNNXBMFYSA-N -1 3 395.297 3.490 10 0 GGAEHM O=S(=O)([N-]C[C@H]1SCCc2ccccc21)c1cccnc1C(F)(F)F ZINC000569518909 567410731 /nfs/dbraw/zinc/41/07/31/567410731.db2.gz LIBSUULZYZWDEB-CYBMUJFWSA-N -1 3 388.436 3.409 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H](C)c1nc(C)cs1 ZINC000528320809 567411094 /nfs/dbraw/zinc/41/10/94/567411094.db2.gz UVXUGIIKXXFQTD-SECBINFHSA-N -1 3 396.412 3.398 10 0 GGAEHM COc1ccc([O-])c(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)c1 ZINC000618771381 567411632 /nfs/dbraw/zinc/41/16/32/567411632.db2.gz CXESCCDZLJLVTP-MRXNPFEDSA-N -1 3 392.249 3.377 10 0 GGAEHM O=S(=O)([N-][C@@H]1CCCOc2ccc(F)cc21)c1cccc2nsnc21 ZINC000618762999 567411701 /nfs/dbraw/zinc/41/17/01/567411701.db2.gz GOPOXOAZDUMKMQ-GFCCVEGCSA-N -1 3 379.438 3.023 10 0 GGAEHM COc1cc(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)ccc1[O-] ZINC000618771063 567411851 /nfs/dbraw/zinc/41/18/51/567411851.db2.gz FAFJPEJBYXZEOC-OAHLLOKOSA-N -1 3 392.249 3.377 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H](C)c1ncc(C)s1 ZINC000528335849 567412179 /nfs/dbraw/zinc/41/21/79/567412179.db2.gz FAJKBDIDWZDRCG-SECBINFHSA-N -1 3 396.412 3.398 10 0 GGAEHM CC(C)(C)c1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)c([O-])c1 ZINC000501945866 567413662 /nfs/dbraw/zinc/41/36/62/567413662.db2.gz KGUCGXKJIWQJQX-UHFFFAOYSA-N -1 3 395.253 3.414 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCOC[C@H]1c1cccc(F)c1 ZINC000618776125 567413978 /nfs/dbraw/zinc/41/39/78/567413978.db2.gz FOGOGKLZTTVKGZ-INIZCTEOSA-N -1 3 394.240 3.436 10 0 GGAEHM CC(C)(C)c1ccc(NC(=O)Cn2cc(Br)ccc2=O)c([O-])c1 ZINC000501966847 567414641 /nfs/dbraw/zinc/41/46/41/567414641.db2.gz LOZPHOXFVKJLST-UHFFFAOYSA-N -1 3 379.254 3.253 10 0 GGAEHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 ZINC000528362448 567415545 /nfs/dbraw/zinc/41/55/45/567415545.db2.gz AEGRDRDQEUWYRX-LLVKDONJSA-N -1 3 398.834 3.258 10 0 GGAEHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]C3CCC(F)(F)CC3)c(Cl)cc21 ZINC000528353319 567415644 /nfs/dbraw/zinc/41/56/44/567415644.db2.gz JKLUFLWQGNABEU-UHFFFAOYSA-N -1 3 392.855 3.105 10 0 GGAEHM COc1ccc(C(=O)N2CCOC[C@@H]2c2cccc(Br)c2)c([O-])c1 ZINC000618777819 567415816 /nfs/dbraw/zinc/41/58/16/567415816.db2.gz VJSRXDQVCCGLCB-MRXNPFEDSA-N -1 3 392.249 3.377 10 0 GGAEHM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1c[nH]c2nccc(Cl)c12 ZINC000549912230 567417591 /nfs/dbraw/zinc/41/75/91/567417591.db2.gz DQYMCOSQOQFUNU-VIFPVBQESA-N -1 3 396.803 3.255 10 0 GGAEHM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1cnc2[nH]ccc(Cl)c1-2 ZINC000549912230 567417595 /nfs/dbraw/zinc/41/75/95/567417595.db2.gz DQYMCOSQOQFUNU-VIFPVBQESA-N -1 3 396.803 3.255 10 0 GGAEHM C[C@@H](F)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000549915709 567417795 /nfs/dbraw/zinc/41/77/95/567417795.db2.gz VZHFUZMHHCLTQZ-OCCSQVGLSA-N -1 3 379.881 3.314 10 0 GGAEHM C[C@@H](NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1)C1CCCC1 ZINC000456775332 567417855 /nfs/dbraw/zinc/41/78/55/567417855.db2.gz OHCDELDERDEXKS-GFCCVEGCSA-N -1 3 382.507 3.128 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]Cc1cscc1C ZINC000528378413 567418123 /nfs/dbraw/zinc/41/81/23/567418123.db2.gz JFEGIDHDEYYUPE-UHFFFAOYSA-N -1 3 381.397 3.442 10 0 GGAEHM CCOc1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cc1C ZINC000549914911 567418161 /nfs/dbraw/zinc/41/81/61/567418161.db2.gz CBGQFKOHNZEZMB-LBPRGKRZSA-N -1 3 380.413 3.432 10 0 GGAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000502194028 567422963 /nfs/dbraw/zinc/42/29/63/567422963.db2.gz IFTFUYPDTUXKPO-LBPRGKRZSA-N -1 3 379.503 3.453 10 0 GGAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccco2)c2ccccc2)c1 ZINC000502207631 567423991 /nfs/dbraw/zinc/42/39/91/567423991.db2.gz LJBIAIGUCAURBB-INIZCTEOSA-N -1 3 377.443 3.196 10 0 GGAEHM C[C@@H]1CCCc2ncc(C(=O)Nc3cc(I)ccc3[O-])n21 ZINC000593559535 567424392 /nfs/dbraw/zinc/42/43/92/567424392.db2.gz ZTKWKHBYOPRGSP-SECBINFHSA-N -1 3 397.216 3.343 10 0 GGAEHM O=S(=O)([N-]C[C@H](n1cccn1)C(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000528458064 567424536 /nfs/dbraw/zinc/42/45/36/567424536.db2.gz RJKQEGOQXYJDNU-NSHDSACASA-N -1 3 388.198 3.272 10 0 GGAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)nc1=N ZINC000550116889 567427434 /nfs/dbraw/zinc/42/74/34/567427434.db2.gz REUHXPIMWZNKEG-OBJOEFQTSA-N -1 3 380.279 3.002 10 0 GGAEHM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)ccc1Cl ZINC000618959338 567427630 /nfs/dbraw/zinc/42/76/30/567427630.db2.gz MNRZFXXOSKLMKM-UHFFFAOYSA-N -1 3 382.869 3.384 10 0 GGAEHM COc1cccc(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)c1[O-] ZINC000436488468 567428094 /nfs/dbraw/zinc/42/80/94/567428094.db2.gz RNDFWLNCJOZQPI-CYBMUJFWSA-N -1 3 378.222 3.417 10 0 GGAEHM CC[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)c1ccccc1F ZINC000593640681 567431636 /nfs/dbraw/zinc/43/16/36/567431636.db2.gz DVMWSHYIUMOXAT-LBPRGKRZSA-N -1 3 387.454 3.112 10 0 GGAEHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CC2CC(F)(F)C2)CCCCCC1 ZINC000593638500 567431708 /nfs/dbraw/zinc/43/17/08/567431708.db2.gz JGAOUCKSLHJYRK-UHFFFAOYSA-N -1 3 381.485 3.386 10 0 GGAEHM O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc(F)cc1[O-] ZINC000436536388 567433512 /nfs/dbraw/zinc/43/35/12/567433512.db2.gz PZHSXNRPTRXCGS-UHFFFAOYSA-N -1 3 391.200 3.009 10 0 GGAEHM O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(F)cc1[O-] ZINC000436536388 567433517 /nfs/dbraw/zinc/43/35/17/567433517.db2.gz PZHSXNRPTRXCGS-UHFFFAOYSA-N -1 3 391.200 3.009 10 0 GGAEHM COc1cccc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c1[O-] ZINC000436553931 567434763 /nfs/dbraw/zinc/43/47/63/567434763.db2.gz IOUCCKAAUCDIMZ-UHFFFAOYSA-N -1 3 383.231 3.418 10 0 GGAEHM CN(C)C[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000528548837 567435717 /nfs/dbraw/zinc/43/57/17/567435717.db2.gz REQLTWLXBYFYON-OAHLLOKOSA-N -1 3 392.283 3.109 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccsc1 ZINC000528544253 567436158 /nfs/dbraw/zinc/43/61/58/567436158.db2.gz BZJGRDLMUBQMSN-NWDGAFQWSA-N -1 3 388.308 3.354 10 0 GGAEHM Cc1cccc(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)c1[O-] ZINC000436599353 567436575 /nfs/dbraw/zinc/43/65/75/567436575.db2.gz XLXBNVPZPBGFNV-UHFFFAOYSA-N -1 3 389.293 3.421 10 0 GGAEHM COC(=O)c1cc(NC(=O)c2cc(OC)ccc2[O-])ccc1Br ZINC000436615940 567438571 /nfs/dbraw/zinc/43/85/71/567438571.db2.gz HVCPKZCTOYCWHH-UHFFFAOYSA-N -1 3 380.194 3.202 10 0 GGAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3[C@H]4Cc5c(cccc5Cl)[C@@H]34)cn21 ZINC000528559288 567438938 /nfs/dbraw/zinc/43/89/38/567438938.db2.gz YCDJGFJLDZWDSZ-MZCYAGRSSA-N -1 3 377.897 3.050 10 0 GGAEHM O=C(NCCc1csc(N2CCCC2)n1)c1cc([O-])cc(Br)c1 ZINC000528571136 567440173 /nfs/dbraw/zinc/44/01/73/567440173.db2.gz FHCSEZUTCBWUFZ-UHFFFAOYSA-N -1 3 396.310 3.184 10 0 GGAEHM CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1cc(C)ccc1C ZINC000528564762 567440329 /nfs/dbraw/zinc/44/03/29/567440329.db2.gz HUAVQIZVOWRBJT-MRXNPFEDSA-N -1 3 381.519 3.137 10 0 GGAEHM COc1cc(S(=O)(=O)[N-]C2(C3(C)CC3)CC2)c(OC)cc1Br ZINC000569900429 567441672 /nfs/dbraw/zinc/44/16/72/567441672.db2.gz JMOKXYIDXKAERN-UHFFFAOYSA-N -1 3 390.299 3.077 10 0 GGAEHM COCC1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000569923919 567443926 /nfs/dbraw/zinc/44/39/26/567443926.db2.gz ROMNWRRMHIZKKV-UHFFFAOYSA-N -1 3 382.707 3.198 10 0 GGAEHM Cc1ccc(C(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)c([O-])c1 ZINC000436733766 567447543 /nfs/dbraw/zinc/44/75/43/567447543.db2.gz YTECYLRJDJYRPD-UHFFFAOYSA-N -1 3 387.237 3.178 10 0 GGAEHM CCn1cnc(S(=O)(=O)[N-]CCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000550489815 567450080 /nfs/dbraw/zinc/45/00/80/567450080.db2.gz CFVOTBFJGBWMNC-UHFFFAOYSA-N -1 3 396.925 3.201 10 0 GGAEHM CN(C)Cc1cc(CNC(=O)c2cc(Br)ccc2[O-])ccc1F ZINC000436746267 567450145 /nfs/dbraw/zinc/45/01/45/567450145.db2.gz XKISOCRIIBRNBP-UHFFFAOYSA-N -1 3 381.245 3.285 10 0 GGAEHM Cc1cccc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c1[O-] ZINC000436775417 567450741 /nfs/dbraw/zinc/45/07/41/567450741.db2.gz XDUXZRICEIWPFF-AWEZNQCLSA-N -1 3 375.266 3.472 10 0 GGAEHM CC(C)(N)c1cc(C(=O)[N-]c2nnc(Cc3cccc(Cl)c3)s2)on1 ZINC000662635957 567454223 /nfs/dbraw/zinc/45/42/23/567454223.db2.gz MMSDNNFDKAIWLK-UHFFFAOYSA-N -1 3 377.857 3.216 10 0 GGAEHM O=C(Nc1ccc(F)cc1)[C@H]1CSCN1C(=O)c1cc([O-])ccc1Cl ZINC000550645110 567455355 /nfs/dbraw/zinc/45/53/55/567455355.db2.gz UWDSYJVPCBFASM-OAHLLOKOSA-N -1 3 380.828 3.339 10 0 GGAEHM CCOC(=O)c1sc2nc([N-]C(=O)c3coc(COC)n3)sc2c1C ZINC000594060850 567455668 /nfs/dbraw/zinc/45/56/68/567455668.db2.gz DZHREJSBAZEFRD-UHFFFAOYSA-N -1 3 381.435 3.230 10 0 GGAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1ccc(C)cc1SC ZINC000570129461 567459727 /nfs/dbraw/zinc/45/97/27/567459727.db2.gz AZUIPJKYCDJWDR-UHFFFAOYSA-N -1 3 383.491 3.192 10 0 GGAEHM COCC1(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CCC1 ZINC000551205914 567487225 /nfs/dbraw/zinc/48/72/25/567487225.db2.gz RKSAIEQAYQIQCN-UHFFFAOYSA-N -1 3 382.707 3.198 10 0 GGAEHM C[C@H]1CCCCN1CCNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000436911377 567465156 /nfs/dbraw/zinc/46/51/56/567465156.db2.gz QGDJTZOYEDTOER-JTQLQIEISA-N -1 3 375.694 3.412 10 0 GGAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CC2)s1 ZINC000550828694 567465415 /nfs/dbraw/zinc/46/54/15/567465415.db2.gz IQAPPJQOPCAACW-CQSZACIVSA-N -1 3 385.898 3.185 10 0 GGAEHM CCOc1cc(CN2CCO[C@]3(CCSC3)C2)cc(Br)c1[O-] ZINC000570214257 567467538 /nfs/dbraw/zinc/46/75/38/567467538.db2.gz IPXHSJCJBDRPCB-MRXNPFEDSA-N -1 3 388.327 3.261 10 0 GGAEHM CN1CC[C@H](NC(=O)c2cc([O-])cc(Br)c2)[C@H]1c1ccccc1 ZINC000528912356 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COC[C@H](Cc1ccccc1)N(C)C(=O)Cc1ccc(Br)cc1[O-] ZINC000505867511 567599545 /nfs/dbraw/zinc/59/95/45/567599545.db2.gz HPCXDWMCHYKFKM-KRWDZBQOSA-N -1 3 392.293 3.413 10 0 GGAEHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)c(Br)c2)c[nH]1 ZINC000645094338 567603861 /nfs/dbraw/zinc/60/38/61/567603861.db2.gz HWPHGFULJNITEB-VIFPVBQESA-N -1 3 390.278 3.474 10 0 GGAEHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CCCCSC ZINC000572059107 567609686 /nfs/dbraw/zinc/60/96/86/567609686.db2.gz KHQRGEWXAXFKOU-UHFFFAOYSA-N -1 3 386.308 3.018 10 0 GGAEHM CCOc1cc(CN2CCC[C@H](NC(=O)CC)C2)cc(Br)c1[O-] ZINC000459307986 567613472 /nfs/dbraw/zinc/61/34/72/567613472.db2.gz AVYQIBOYISWAPL-ZDUSSCGKSA-N -1 3 385.302 3.044 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000552838275 567613525 /nfs/dbraw/zinc/61/35/25/567613525.db2.gz OHNHRPOXCDUXPB-WBVHZDCISA-N -1 3 380.282 3.257 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000552838272 567613832 /nfs/dbraw/zinc/61/38/32/567613832.db2.gz 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COc1cccc(C(=O)NC[C@@H](C)Oc2cccc(Br)c2)c1[O-] ZINC000440331393 567623273 /nfs/dbraw/zinc/62/32/73/567623273.db2.gz YJBMIDMXQZFIMO-LLVKDONJSA-N -1 3 380.238 3.361 10 0 GGAEHM COc1ccc([O-])c(C(=O)NC[C@H](C)Oc2cccc(Br)c2)c1 ZINC000440324225 567624228 /nfs/dbraw/zinc/62/42/28/567624228.db2.gz FPNTUDASKPZWOY-NSHDSACASA-N -1 3 380.238 3.361 10 0 GGAEHM CCOCCOc1ccc(Br)cc1S(=O)(=O)[N-]CC=C(C)C ZINC000480735504 567624748 /nfs/dbraw/zinc/62/47/48/567624748.db2.gz KOHHSVQPWBIECC-UHFFFAOYSA-N -1 3 392.315 3.109 10 0 GGAEHM Cc1cccc2cc(S(=O)(=O)[N-]CCCN3CCCCCC3=O)sc21 ZINC000645449478 567626534 /nfs/dbraw/zinc/62/65/34/567626534.db2.gz KCHYGJNDVQKRIH-UHFFFAOYSA-N -1 3 380.535 3.281 10 0 GGAEHM CC(C)(C)c1nc2ccc(S(=O)(=O)NCc3ncccc3[O-])cc2s1 ZINC000480759208 567628819 /nfs/dbraw/zinc/62/88/19/567628819.db2.gz UGZMOQCAZDVPSN-UHFFFAOYSA-N -1 3 377.491 3.173 10 0 GGAEHM CC(=O)N[C@H](CC(=O)Nc1cc(Br)ccc1[O-])c1ccccc1 ZINC000530917686 567631673 /nfs/dbraw/zinc/63/16/73/567631673.db2.gz 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567635260 /nfs/dbraw/zinc/63/52/60/567635260.db2.gz KEHMIGZEHOLKOB-OKNBYCPDSA-N -1 3 390.343 3.285 10 0 GGAEHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Br)s1)C1CCCCC1 ZINC000480848409 567635280 /nfs/dbraw/zinc/63/52/80/567635280.db2.gz CKXDWPCAPIYAEY-CYBMUJFWSA-N -1 3 382.345 3.120 10 0 GGAEHM O=S(=O)(CCCC1CCOCC1)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000645518504 567636799 /nfs/dbraw/zinc/63/67/99/567636799.db2.gz YNDDCBXJHRSALN-QGZVFWFLSA-N -1 3 380.535 3.359 10 0 GGAEHM [O-]c1cccc(CN2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1Br ZINC000459569130 567637485 /nfs/dbraw/zinc/63/74/85/567637485.db2.gz LOBAQZSQQOEQMP-QAPCUYQASA-N -1 3 380.257 3.455 10 0 GGAEHM CCOc1cc(CN2CCC(F)(F)[C@H](CO)C2)cc(Br)c1[O-] ZINC000459565038 567637644 /nfs/dbraw/zinc/63/76/44/567637644.db2.gz XKMZNOPAGZDBDQ-NSHDSACASA-N -1 3 380.229 3.003 10 0 GGAEHM CCOc1cc(CN2CCNC(=O)c3ccccc32)cc(Br)c1[O-] ZINC000459560623 567637836 /nfs/dbraw/zinc/63/78/36/567637836.db2.gz JTYBFMSSIVMEEL-UHFFFAOYSA-N -1 3 391.265 3.303 10 0 GGAEHM CC1=CC[C@@](C)(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CC1 ZINC000665781644 567638666 /nfs/dbraw/zinc/63/86/66/567638666.db2.gz AVOAKJOEECKXOR-GOSISDBHSA-N -1 3 382.551 3.154 10 0 GGAEHM CCOc1cc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc(Br)c1[O-] ZINC000459579555 567640033 /nfs/dbraw/zinc/64/00/33/567640033.db2.gz ZBONUSJQBMEKQF-YGRLFVJLSA-N -1 3 398.219 3.299 10 0 GGAEHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(C2CC2)cc1 ZINC000480904549 567641477 /nfs/dbraw/zinc/64/14/77/567641477.db2.gz YTTQFWBKYOOCBM-UHFFFAOYSA-N -1 3 379.865 3.483 10 0 GGAEHM Cc1cc(Br)c(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)s1 ZINC000622172354 567641658 /nfs/dbraw/zinc/64/16/58/567641658.db2.gz IUBOGXAFTWOYRM-UHFFFAOYSA-N -1 3 384.299 3.180 10 0 GGAEHM Cc1ccc([O-])c(CN(C)CC(=O)Nc2ccc(Br)cc2C)n1 ZINC000506765126 567641968 /nfs/dbraw/zinc/64/19/68/567641968.db2.gz DPOBLZMVIDLMGL-UHFFFAOYSA-N -1 3 378.270 3.237 10 0 GGAEHM Cc1ccc2c(c1Br)CN(C(=O)CCc1c(C)nc(C)[n-]c1=O)C2 ZINC000622182460 567642632 /nfs/dbraw/zinc/64/26/32/567642632.db2.gz 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CCOC(=O)c1sc2[n-]c([C@@H](C)NCc3ccccc3F)nc(=O)c2c1C ZINC000006653352 570520672 /nfs/dbraw/zinc/52/06/72/570520672.db2.gz LIRGPAHCUGZWFN-LLVKDONJSA-N -1 3 389.452 3.460 10 0 GGAEHM O=C(CSc1n[n-]c([C@H]2CCCO2)n1)N1CCC(Cc2ccccc2)CC1 ZINC000008745693 570539918 /nfs/dbraw/zinc/53/99/18/570539918.db2.gz GDYUMTLUSQXUSJ-QGZVFWFLSA-N -1 3 386.521 3.230 10 0 GGAEHM CCN1CCN(Cc2nc(=O)c3c(-c4ccc(C)cc4C)csc3[n-]2)CC1 ZINC000036204070 570568594 /nfs/dbraw/zinc/56/85/94/570568594.db2.gz OQTNVZPJPCZROQ-UHFFFAOYSA-N -1 3 382.533 3.406 10 0 GGAEHM CCN1CCN(Cc2nc(=O)c3c(-c4cc(C)ccc4C)csc3[n-]2)CC1 ZINC000036204115 570569216 /nfs/dbraw/zinc/56/92/16/570569216.db2.gz DEEBJFZNIVITDW-UHFFFAOYSA-N -1 3 382.533 3.406 10 0 GGAEHM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3F)ccc21 ZINC000064861626 570570042 /nfs/dbraw/zinc/57/00/42/570570042.db2.gz MRUXLZZZRLKMQF-UHFFFAOYSA-N -1 3 377.441 3.109 10 0 GGAEHM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)ccc21 ZINC000064861603 570570233 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GGAEHM O=C(c1noc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc21)N1CCCC1 ZINC000065115130 570699939 /nfs/dbraw/zinc/69/99/39/570699939.db2.gz AMHJPQNSEMJWGP-UHFFFAOYSA-N -1 3 389.408 3.004 10 0 GGAEHM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)cc1 ZINC000006915607 570706170 /nfs/dbraw/zinc/70/61/70/570706170.db2.gz UDJWNIOTQLJBHC-UHFFFAOYSA-N -1 3 391.456 3.124 10 0 GGAEHM O=S(=O)([N-]C[C@H]1Cc2ccccc2O1)c1csc(-c2ccc(F)cc2)n1 ZINC000058358253 570728902 /nfs/dbraw/zinc/72/89/02/570728902.db2.gz RRPXVBXRTYGGLJ-OAHLLOKOSA-N -1 3 390.461 3.231 10 0 GGAEHM O=C(CSc1nnc(C2CC2)n1-c1ccccc1)[N-]C(=O)c1cccs1 ZINC000006985295 570729630 /nfs/dbraw/zinc/72/96/30/570729630.db2.gz YNQVFGOONGKBNV-UHFFFAOYSA-N -1 3 384.486 3.255 10 0 GGAEHM O=C([O-])[C@H]1CCCN(c2nnc(-n3cccc3CN3CCCCCC3)s2)C1 ZINC000007002008 570737435 /nfs/dbraw/zinc/73/74/35/570737435.db2.gz JZOWICMESMSFDA-HNNXBMFYSA-N -1 3 389.525 3.006 10 0 GGAEHM Cc1cc(N2CC[C@@H]([N-]S(=O)(=O)Cc3ccccc3Cl)C2=O)ccc1F ZINC000065229342 570740160 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10 0 biogenic GGAEHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1ccc(N2CCCC2=O)cc1 ZINC000007111293 570791612 /nfs/dbraw/zinc/79/16/12/570791612.db2.gz VQLFYTDCKZXRSD-UHFFFAOYSA-N -1 3 399.501 3.391 10 0 GGAEHM CCN1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)[O-])CC1 ZINC000033078733 570805392 /nfs/dbraw/zinc/80/53/92/570805392.db2.gz MFPPAENSAVKBOQ-UHFFFAOYSA-N -1 3 387.867 3.432 10 0 GGAEHM O=C([N-]n1c(=O)c2ccccc2nc1-c1cccc(Cl)c1)c1ccncc1 ZINC000005948632 570807738 /nfs/dbraw/zinc/80/77/38/570807738.db2.gz BJPMYNUEKCRHOO-UHFFFAOYSA-N -1 3 376.803 3.496 10 0 GGAEHM CCOC(=O)[C@@H](CC)Sc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000006004961 570813445 /nfs/dbraw/zinc/81/34/45/570813445.db2.gz WPEOSISANBYRQD-CYBMUJFWSA-N -1 3 392.868 3.196 10 0 GGAEHM O=C(NC1CCCCC1)N1CCC(CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000033126032 570819120 /nfs/dbraw/zinc/81/91/20/570819120.db2.gz ARMMOODPABOWRH-UHFFFAOYSA-N -1 3 399.582 3.171 10 0 GGAEHM Cc1c([O-])ccc2c(CN[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)oc12 ZINC000032797383 570819944 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CC[C@@H](C)N(C)CC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000380108714 565540132 /nfs/dbraw/zinc/54/01/32/565540132.db2.gz OPBJAKUZNWWNEB-SNVBAGLBSA-N -1 3 383.739 3.111 10 0 GGAEHM Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000190529420 565540223 /nfs/dbraw/zinc/54/02/23/565540223.db2.gz WAPLYXBVCNGWFV-CYBMUJFWSA-N -1 3 379.913 3.405 10 0 GGAEHM Cc1cccnc1C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000380170599 565540250 /nfs/dbraw/zinc/54/02/50/565540250.db2.gz BBXNJSMBHDNOMV-UHFFFAOYSA-N -1 3 375.675 3.284 10 0 GGAEHM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)cn1 ZINC000380164601 565540403 /nfs/dbraw/zinc/54/04/03/565540403.db2.gz ADABROVKPFQMSB-UHFFFAOYSA-N -1 3 375.675 3.284 10 0 GGAEHM Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000190545345 565541028 /nfs/dbraw/zinc/54/10/28/565541028.db2.gz OIMVOEOBWWRYDE-CYBMUJFWSA-N -1 3 379.913 3.405 10 0 GGAEHM Cc1ccnc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000381359539 565541190 /nfs/dbraw/zinc/54/11/90/565541190.db2.gz GKSBAGMMXWUIAS-UHFFFAOYSA-N 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CC1(C)COC[C@H]1NCc1cc(Br)c([O-])c(Br)c1 ZINC000313023383 565582996 /nfs/dbraw/zinc/58/29/96/565582996.db2.gz OGFWWYCEONVNCI-LLVKDONJSA-N -1 3 379.092 3.432 10 0 GGAEHM O=S(=O)([N-]CCc1ccccn1)c1c(Cl)cccc1Br ZINC000312830691 565583302 /nfs/dbraw/zinc/58/33/02/565583302.db2.gz JSQPOERKWPTMFI-UHFFFAOYSA-N -1 3 375.675 3.019 10 0 GGAEHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000312848008 565583344 /nfs/dbraw/zinc/58/33/44/565583344.db2.gz LPCZFQZSMLTNCG-JTQLQIEISA-N -1 3 384.723 3.180 10 0 GGAEHM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1(C)C ZINC000312880026 565583431 /nfs/dbraw/zinc/58/34/31/565583431.db2.gz PPZCGONNJGUKOL-WDEREUQCSA-N -1 3 382.707 3.194 10 0 GGAEHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1(C)C ZINC000312880025 565583505 /nfs/dbraw/zinc/58/35/05/565583505.db2.gz PPZCGONNJGUKOL-QWRGUYRKSA-N -1 3 382.707 3.194 10 0 GGAEHM CCC[C@@](C)([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)OC ZINC000313958917 565584583 /nfs/dbraw/zinc/58/45/83/565584583.db2.gz BDYXJOFIMVLHEC-CYBMUJFWSA-N -1 3 398.706 3.113 10 0 GGAEHM O=S(=O)([N-]CC1(CO)CCCCC1)c1c(Cl)cccc1Br ZINC000314193659 565586457 /nfs/dbraw/zinc/58/64/57/565586457.db2.gz LBSYEAICRBDYGY-UHFFFAOYSA-N -1 3 396.734 3.324 10 0 GGAEHM O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1cn2ccnc2s1 ZINC000191160671 565586733 /nfs/dbraw/zinc/58/67/33/565586733.db2.gz XEHICVDLCULWCV-UHFFFAOYSA-N -1 3 389.238 3.196 10 0 GGAEHM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)[C@H]2CCO[C@H]21 ZINC000407976357 565588230 /nfs/dbraw/zinc/58/82/30/565588230.db2.gz NLYHSYPZHCFVEK-BZHVJNSISA-N -1 3 394.718 3.194 10 0 GGAEHM CCc1cnc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)s1 ZINC000173808468 565588790 /nfs/dbraw/zinc/58/87/90/565588790.db2.gz MXZIEIVSVMVFRA-UHFFFAOYSA-N -1 3 382.404 3.384 10 0 GGAEHM CCc1cnc(CC[N-]S(=O)(=O)c2ccc(F)cc2Br)s1 ZINC000173807202 565588909 /nfs/dbraw/zinc/58/89/09/565588909.db2.gz OJGQGIKNARSVEV-UHFFFAOYSA-N -1 3 393.303 3.128 10 0 GGAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000408091788 565594706 /nfs/dbraw/zinc/59/47/06/565594706.db2.gz XLTXUFRGNBXATC-CVEARBPZSA-N -1 3 391.265 3.074 10 0 GGAEHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CN(C(C)C)C[C@@H]2C)cc1Cl ZINC000173885134 565597351 /nfs/dbraw/zinc/59/73/51/565597351.db2.gz WYYCTQNKOPAEAC-GWCFXTLKSA-N -1 3 381.325 3.009 10 0 GGAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000408195149 565598385 /nfs/dbraw/zinc/59/83/85/565598385.db2.gz LLBWBDYYDHMLGI-HZPDHXFCSA-N -1 3 391.265 3.074 10 0 GGAEHM O=C(c1cnc2ccc(Br)cc2c1[O-])N1CCO[C@@H]2CCCC[C@H]21 ZINC000408195149 565598389 /nfs/dbraw/zinc/59/83/89/565598389.db2.gz LLBWBDYYDHMLGI-HZPDHXFCSA-N -1 3 391.265 3.074 10 0 GGAEHM C[C@H]1COC[C@H](C)N1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000408274095 565601522 /nfs/dbraw/zinc/60/15/22/565601522.db2.gz VZCWYTXFRARQFI-IUCAKERBSA-N -1 3 399.672 3.193 10 0 GGAEHM C[C@H]1COC[C@H](C)N1C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000408274095 565601525 /nfs/dbraw/zinc/60/15/25/565601525.db2.gz VZCWYTXFRARQFI-IUCAKERBSA-N -1 3 399.672 3.193 10 0 GGAEHM CCOC1(C[N-]S(=O)(=O)c2cc(Br)ccc2OC)CCCC1 ZINC000320322328 565601602 /nfs/dbraw/zinc/60/16/02/565601602.db2.gz FQDJZYAOZGFQDR-UHFFFAOYSA-N -1 3 392.315 3.085 10 0 GGAEHM C[C@@H]1COC[C@H](C)N1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000408274094 565601708 /nfs/dbraw/zinc/60/17/08/565601708.db2.gz VZCWYTXFRARQFI-DTORHVGOSA-N -1 3 399.672 3.193 10 0 GGAEHM C[C@@H]1COC[C@H](C)N1C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000408274094 565601715 /nfs/dbraw/zinc/60/17/15/565601715.db2.gz VZCWYTXFRARQFI-DTORHVGOSA-N -1 3 399.672 3.193 10 0 GGAEHM C[C@@H]1CSCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000408440732 565609584 /nfs/dbraw/zinc/60/95/84/565609584.db2.gz FSUWZRKKKRRGKJ-JTQLQIEISA-N -1 3 381.295 3.116 10 0 GGAEHM COc1cc(CN[C@H](C)c2nnc3n2CCCCC3)cc(Br)c1[O-] ZINC000324446407 565618306 /nfs/dbraw/zinc/61/83/06/565618306.db2.gz GBEVTEMYJBCHLB-LLVKDONJSA-N -1 3 395.301 3.332 10 0 GGAEHM O=S(=O)([N-]C[C@H]1CCn2ccnc2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000328645921 565637125 /nfs/dbraw/zinc/63/71/25/565637125.db2.gz ZUNSHYLRNWALIU-JTQLQIEISA-N -1 3 393.818 3.096 10 0 GGAEHM O=S(=O)([N-]C[C@@H]1CCn2ccnc2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000328645922 565637373 /nfs/dbraw/zinc/63/73/73/565637373.db2.gz ZUNSHYLRNWALIU-SNVBAGLBSA-N -1 3 393.818 3.096 10 0 GGAEHM CN(C)c1ncccc1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000191888147 565640719 /nfs/dbraw/zinc/64/07/19/565640719.db2.gz MKGIJLARCBJDKS-UHFFFAOYSA-N -1 3 378.256 3.072 10 0 GGAEHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2nc(C)c(Br)s2)cs1 ZINC000329137488 565655930 /nfs/dbraw/zinc/65/59/30/565655930.db2.gz HOGMBQWCEZYODJ-RXMQYKEDSA-N -1 3 382.330 3.018 10 0 GGAEHM CC(C)(C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccccc1Br ZINC000410008931 565657118 /nfs/dbraw/zinc/65/71/18/565657118.db2.gz BYSNDSMFYFKTJP-AWEZNQCLSA-N -1 3 378.270 3.362 10 0 GGAEHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1cc(F)cc(Br)c1 ZINC000175036815 565676515 /nfs/dbraw/zinc/67/65/15/565676515.db2.gz GATZMWIPBHRVRI-UHFFFAOYSA-N -1 3 396.260 3.207 10 0 GGAEHM O=C(CSc1n[n-]c(=S)s1)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000175071606 565677568 /nfs/dbraw/zinc/67/75/68/565677568.db2.gz KOVPLLVMAJMGAI-CQSZACIVSA-N -1 3 394.591 3.464 10 0 GGAEHM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1ccnc(S(C)(=O)=O)n1 ZINC000410506773 565688126 /nfs/dbraw/zinc/68/81/26/565688126.db2.gz GBCJBKBYQOZNOE-UHFFFAOYSA-N -1 3 385.898 3.286 10 0 GGAEHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)c2nc(C)cs2)c1 ZINC000175264687 565689543 /nfs/dbraw/zinc/68/95/43/565689543.db2.gz KWSPEOZYJOPZTG-VIFPVBQESA-N -1 3 391.312 3.262 10 0 GGAEHM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCC[C@@H]1O ZINC000330419035 565705661 /nfs/dbraw/zinc/70/56/61/565705661.db2.gz PBPWKNJVPUCWGQ-JSGCOSHPSA-N -1 3 396.734 3.322 10 0 GGAEHM CC[C@H](C)[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000330419207 565705712 /nfs/dbraw/zinc/70/57/12/565705712.db2.gz QCDJKKWTAVCOTK-TVQRCGJNSA-N -1 3 384.723 3.178 10 0 GGAEHM CO[C@H](C)c1nc(C)c(C(=O)[N-]c2nc3cc(Br)ccn3n2)s1 ZINC000411045077 565707287 /nfs/dbraw/zinc/70/72/87/565707287.db2.gz JWFWABCQUWJSFZ-MRVPVSSYSA-N -1 3 396.270 3.216 10 0 GGAEHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000330486060 565708501 /nfs/dbraw/zinc/70/85/01/565708501.db2.gz BTOKABDLMXEODL-CABZTGNLSA-N -1 3 387.299 3.041 10 0 GGAEHM CC[C@H]([N-]S(=O)(=O)c1cc(OC)c(OC)cc1Cl)c1nccs1 ZINC000192819975 565712048 /nfs/dbraw/zinc/71/20/48/565712048.db2.gz MYQPPQCZAKCCNR-JTQLQIEISA-N -1 3 376.887 3.243 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCN(CC(F)(F)F)CC1 ZINC000192862422 565715445 /nfs/dbraw/zinc/71/54/45/565715445.db2.gz XEMLRAHJMJEOJZ-SECBINFHSA-N -1 3 390.880 3.343 10 0 GGAEHM O=C(Nc1cc(Br)c[nH]c1=O)c1cc([O-])ccc1C(F)(F)F ZINC000192908634 565718745 /nfs/dbraw/zinc/71/87/45/565718745.db2.gz DJOPQJYCGBIETL-UHFFFAOYSA-N -1 3 377.116 3.114 10 0 GGAEHM Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1cc(C)ccc1C)C(F)(F)F ZINC000330690789 565718896 /nfs/dbraw/zinc/71/88/96/565718896.db2.gz AUNPNZJRYGHCLS-HNNXBMFYSA-N -1 3 375.416 3.236 10 0 GGAEHM Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1C)C(F)(F)F ZINC000330690790 565719307 /nfs/dbraw/zinc/71/93/07/565719307.db2.gz AUNPNZJRYGHCLS-OAHLLOKOSA-N -1 3 375.416 3.236 10 0 GGAEHM Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1ccc(F)c(C)c1)C(F)(F)F ZINC000330704875 565719517 /nfs/dbraw/zinc/71/95/17/565719517.db2.gz KCRKEHYHLLXUAO-AWEZNQCLSA-N -1 3 379.379 3.066 10 0 GGAEHM Cc1ccc(NC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)s1 ZINC000175771940 565723079 /nfs/dbraw/zinc/72/30/79/565723079.db2.gz UEBAXCVFQRXZGX-UHFFFAOYSA-N -1 3 385.536 3.093 10 0 GGAEHM C[C@@H](NC(=O)C(=O)[N-][C@H](c1ccc(Cl)cc1)C(F)(F)F)C(F)(F)F ZINC000411521959 565733360 /nfs/dbraw/zinc/73/33/60/565733360.db2.gz CRFURRBOSXXGHZ-HZGVNTEJSA-N -1 3 376.684 3.127 10 0 GGAEHM O=S(=O)([N-]CCC[C@H]1CCCC[C@@H]1O)c1ccc(Br)cc1F ZINC000331057139 565736600 /nfs/dbraw/zinc/73/66/00/565736600.db2.gz LSIAWNOKSKKSKH-RISCZKNCSA-N -1 3 394.306 3.198 10 0 GGAEHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@@H]1O)c1ccc(Br)cc1F ZINC000331057138 565737113 /nfs/dbraw/zinc/73/71/13/565737113.db2.gz LSIAWNOKSKKSKH-FZMZJTMJSA-N -1 3 394.306 3.198 10 0 GGAEHM CSCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000193413758 565750808 /nfs/dbraw/zinc/75/08/08/565750808.db2.gz NZZRUWWXKDSABM-UHFFFAOYSA-N -1 3 386.445 3.457 10 0 GGAEHM O=S(=O)([N-]CCC[C@H]1CCCC[C@@H]1O)c1cc(F)ccc1Br ZINC000331296649 565752913 /nfs/dbraw/zinc/75/29/13/565752913.db2.gz TUVLKVCIUBKPFU-RISCZKNCSA-N -1 3 394.306 3.198 10 0 GGAEHM CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCOCC1 ZINC000282221701 565770651 /nfs/dbraw/zinc/77/06/51/565770651.db2.gz ARBZDUVOCYPVIK-UHFFFAOYSA-N -1 3 382.707 3.198 10 0 GGAEHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CCOCC1 ZINC000282368511 565775935 /nfs/dbraw/zinc/77/59/35/565775935.db2.gz VARJWHIFMOHYID-VIFPVBQESA-N -1 3 382.707 3.196 10 0 GGAEHM COCCCC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000193882280 565780746 /nfs/dbraw/zinc/78/07/46/565780746.db2.gz OVUCTXGLHHYKBA-UHFFFAOYSA-N -1 3 390.221 3.173 10 0 GGAEHM CC1(C)CCCC[C@@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000194163431 565798092 /nfs/dbraw/zinc/79/80/92/565798092.db2.gz HALSWEAUQBSCDW-OAHLLOKOSA-N -1 3 384.567 3.234 10 0 GGAEHM CCc1cc(=O)[n-]c(CNC2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000176819478 565806534 /nfs/dbraw/zinc/80/65/34/565806534.db2.gz TZWUTOVQRLPHOC-UHFFFAOYSA-N -1 3 392.297 3.303 10 0 GGAEHM Cc1noc(C)c1C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000283042845 565807900 /nfs/dbraw/zinc/80/79/00/565807900.db2.gz RNMLYRGOSCFYEP-UHFFFAOYSA-N -1 3 379.663 3.186 10 0 GGAEHM COc1cc(Br)c(S(=O)(=O)[N-]Cc2cscn2)cc1Cl ZINC000176857799 565810015 /nfs/dbraw/zinc/81/00/15/565810015.db2.gz TYWPQYXEZROKHR-UHFFFAOYSA-N -1 3 397.703 3.046 10 0 GGAEHM C[C@H]1CC(C)(C)CN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000412771604 565811338 /nfs/dbraw/zinc/81/13/38/565811338.db2.gz WZQWYRJQBYXRIO-NSHDSACASA-N -1 3 393.336 3.309 10 0 GGAEHM Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000177004169 565821699 /nfs/dbraw/zinc/82/16/99/565821699.db2.gz GJENSIPUQVHESG-LLVKDONJSA-N -1 3 395.699 3.360 10 0 GGAEHM O=C(CCCSc1ccc(Cl)cc1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283736749 565828016 /nfs/dbraw/zinc/82/80/16/565828016.db2.gz OPMUOBXQOFJYOE-LBPRGKRZSA-N -1 3 380.901 3.030 10 0 GGAEHM Cn1cnnc1-c1cncc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000194625557 565827984 /nfs/dbraw/zinc/82/79/84/565827984.db2.gz PVHXXHJDKCGICR-UHFFFAOYSA-N -1 3 398.275 3.126 10 0 GGAEHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](CO)c1cccc(Br)c1 ZINC000194831717 565841634 /nfs/dbraw/zinc/84/16/34/565841634.db2.gz IIAFPHUAMGVLQC-ZDUSSCGKSA-N -1 3 385.208 3.094 10 0 GGAEHM C[C@]1(c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CCCO1 ZINC000284114186 565841923 /nfs/dbraw/zinc/84/19/23/565841923.db2.gz WYAHGRDXMDVDCG-OAHLLOKOSA-N -1 3 376.214 3.310 10 0 GGAEHM C[C@]1(c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CCCO1 ZINC000284114186 565841925 /nfs/dbraw/zinc/84/19/25/565841925.db2.gz WYAHGRDXMDVDCG-OAHLLOKOSA-N -1 3 376.214 3.310 10 0 GGAEHM C[C@]1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCCO1 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Cc1c(S(=O)(=O)[N-]Cc2cc(Cl)cc(Cl)c2)coc1C(=O)N(C)C ZINC000657031020 567002975 /nfs/dbraw/zinc/00/29/75/567002975.db2.gz OLDLIHHWLDMKIV-UHFFFAOYSA-N -1 3 391.276 3.075 10 0 GGAEHM O=C(NCc1ncccc1[O-])N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000472118105 567003118 /nfs/dbraw/zinc/00/31/18/567003118.db2.gz QAJLLLYKMPEJTE-NSHDSACASA-N -1 3 381.263 3.172 10 0 GGAEHM CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NCc1ncccc1[O-] ZINC000472122753 567003571 /nfs/dbraw/zinc/00/35/71/567003571.db2.gz SKDGZUFPRWOJOS-BDJLRTHQSA-N -1 3 394.269 3.125 10 0 GGAEHM CC(C)(C)N1CC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000657034044 567003727 /nfs/dbraw/zinc/00/37/27/567003727.db2.gz IYELISNZSKOFCQ-JTQLQIEISA-N -1 3 395.750 3.254 10 0 GGAEHM C[C@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)c1ccccn1 ZINC000657041475 567005014 /nfs/dbraw/zinc/00/50/14/567005014.db2.gz YCTGRGCIPYWHHY-SNVBAGLBSA-N -1 3 378.347 3.201 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]C[C@@H](C)c2ccccn2)c(F)cc1Br ZINC000657038406 567005606 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383.491 3.191 10 0 GGAEHM O=C(NCCOCC1CC1)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430538052 567020390 /nfs/dbraw/zinc/02/03/90/567020390.db2.gz ATUSDPDTEWOSFT-UHFFFAOYSA-N -1 3 399.672 3.100 10 0 GGAEHM O=C(NCCOCC1CC1)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430538052 567020397 /nfs/dbraw/zinc/02/03/97/567020397.db2.gz ATUSDPDTEWOSFT-UHFFFAOYSA-N -1 3 399.672 3.100 10 0 GGAEHM Cc1ncc(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])cn1 ZINC000430559211 567021424 /nfs/dbraw/zinc/02/14/24/567021424.db2.gz BYICSNYRAHBAEI-UHFFFAOYSA-N -1 3 393.628 3.295 10 0 GGAEHM O=S(=O)([N-][C@H]1CSCc2ccc(Br)cc21)c1cscn1 ZINC000657138115 567021745 /nfs/dbraw/zinc/02/17/45/567021745.db2.gz HELNQQVEYCVVBA-NSHDSACASA-N -1 3 391.337 3.172 10 0 GGAEHM Cc1c(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])cnn1C ZINC000430589310 567023561 /nfs/dbraw/zinc/02/35/61/567023561.db2.gz HRZPFVUDHQHIGT-UHFFFAOYSA-N -1 3 395.644 3.238 10 0 GGAEHM CC(C)Oc1ncccc1CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000682029738 567024294 /nfs/dbraw/zinc/02/42/94/567024294.db2.gz UNDZDIYOGNURNV-UHFFFAOYSA-N -1 3 379.254 3.196 10 0 GGAEHM CO[C@H](C)[C@H](C)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430600170 567024363 /nfs/dbraw/zinc/02/43/63/567024363.db2.gz ANRQEVRLMPNWKG-JGVFFNPUSA-N -1 3 387.661 3.097 10 0 GGAEHM CO[C@H](C)[C@H](C)NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000430600170 567024367 /nfs/dbraw/zinc/02/43/67/567024367.db2.gz ANRQEVRLMPNWKG-JGVFFNPUSA-N -1 3 387.661 3.097 10 0 GGAEHM Cc1cccn2cc(CCNC(=O)Cc3ccc(Br)cc3[O-])nc12 ZINC000682031543 567024978 /nfs/dbraw/zinc/02/49/78/567024978.db2.gz YSPGVLFQHZNHHT-UHFFFAOYSA-N -1 3 388.265 3.012 10 0 GGAEHM Cc1c(NC(=O)Cc2ccc(Br)cc2[O-])n[nH]c1C(F)(F)F ZINC000682030054 567025027 /nfs/dbraw/zinc/02/50/27/567025027.db2.gz MFAUUHQIFUXCSV-UHFFFAOYSA-N -1 3 378.148 3.386 10 0 GGAEHM COc1ccccc1OCCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000682031106 567025100 /nfs/dbraw/zinc/02/51/00/567025100.db2.gz BLAGJQRKTXSUIG-UHFFFAOYSA-N -1 3 394.265 3.291 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])Nc1ccn(-c2ncccc2F)n1 ZINC000682033196 567025191 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567202666 /nfs/dbraw/zinc/20/26/66/567202666.db2.gz XPSDPGWFVGMOPO-OAHLLOKOSA-N -1 3 387.571 3.204 10 0 GGAEHM COc1ccccc1-c1nc(NC(=O)Cc2cscc2Br)n[n-]1 ZINC000432894976 567202682 /nfs/dbraw/zinc/20/26/82/567202682.db2.gz YVDOPWURPXTVIQ-UHFFFAOYSA-N -1 3 393.266 3.486 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CC(=O)c2ccccc21 ZINC000498849972 567205978 /nfs/dbraw/zinc/20/59/78/567205978.db2.gz MFXYYMLUTXCSSN-ZDUSSCGKSA-N -1 3 396.262 3.064 10 0 GGAEHM CCOc1ccc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)cn1 ZINC000432964850 567209704 /nfs/dbraw/zinc/20/97/04/567209704.db2.gz JPTULQDDCZDWRO-CQSZACIVSA-N -1 3 378.347 3.043 10 0 GGAEHM CCOc1ccc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)cn1 ZINC000432964849 567209917 /nfs/dbraw/zinc/20/99/17/567209917.db2.gz JPTULQDDCZDWRO-AWEZNQCLSA-N -1 3 378.347 3.043 10 0 GGAEHM O=S(=O)([N-]CCc1nnc2n1CCCC2)c1cc2cc(Cl)ccc2s1 ZINC000567025402 567210803 /nfs/dbraw/zinc/21/08/03/567210803.db2.gz VVYAJUXSBWLHGH-UHFFFAOYSA-N -1 3 396.925 3.004 10 0 GGAEHM Cc1ccsc1-c1nc(=NC(=O)N2CC[C@@H](N3CCCCC3)C2)s[n-]1 ZINC000547450603 567211775 /nfs/dbraw/zinc/21/17/75/567211775.db2.gz XVFFTQUSSHQCLR-CYBMUJFWSA-N -1 3 377.539 3.089 10 0 GGAEHM CCc1cccc(C(=O)N(CCO)Cc2cc(Br)cs2)c1[O-] ZINC000567102187 567218542 /nfs/dbraw/zinc/21/85/42/567218542.db2.gz IHQAAZMHDNFIGP-UHFFFAOYSA-N -1 3 384.295 3.413 10 0 GGAEHM CO[C@H]1CCC[C@H](C(=O)Nc2cc(I)ccc2[O-])C1 ZINC000590316263 567219482 /nfs/dbraw/zinc/21/94/82/567219482.db2.gz HMTLJBCAGUKGDD-ONGXEEELSA-N -1 3 375.206 3.141 10 0 GGAEHM Cc1cncc(CCC(=O)Nc2cc(I)ccc2[O-])c1 ZINC000590316357 567219519 /nfs/dbraw/zinc/21/95/19/567219519.db2.gz OTWKURSDACBACG-UHFFFAOYSA-N -1 3 382.201 3.272 10 0 GGAEHM CCc1ncnc(CC)c1C(=O)Nc1cc(I)ccc1[O-] ZINC000590316234 567219649 /nfs/dbraw/zinc/21/96/49/567219649.db2.gz FQSMETUMYXGKAG-UHFFFAOYSA-N -1 3 397.216 3.164 10 0 GGAEHM O=C(NCc1ccc([O-])c(Br)c1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000567119056 567220299 /nfs/dbraw/zinc/22/02/99/567220299.db2.gz XVUVQEDUKQFNNH-BMFZPTHFSA-N -1 3 397.313 3.380 10 0 GGAEHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000499105878 567225904 /nfs/dbraw/zinc/22/59/04/567225904.db2.gz CVFPMKBVYZGHIB-OAHLLOKOSA-N -1 3 380.535 3.253 10 0 GGAEHM CCOC(=O)CSc1nnc([N-]C(=O)c2coc3cc(F)ccc23)s1 ZINC000475123511 567226242 /nfs/dbraw/zinc/22/62/42/567226242.db2.gz XJTILLKXSLNJIF-UHFFFAOYSA-N -1 3 381.410 3.331 10 0 GGAEHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)CCO1 ZINC000567297279 567235311 /nfs/dbraw/zinc/23/53/11/567235311.db2.gz TYCCHSMHBZQTHW-VIFPVBQESA-N -1 3 382.707 3.338 10 0 GGAEHM COc1cc(CNCc2ncnn2-c2ccccc2)cc(Br)c1[O-] ZINC000475273275 567237450 /nfs/dbraw/zinc/23/74/50/567237450.db2.gz IVVLXACLPTXTHD-UHFFFAOYSA-N -1 3 389.253 3.034 10 0 GGAEHM Nc1c(Br)cc(Br)cc1CNCc1ncccc1[O-] ZINC000475336299 567241074 /nfs/dbraw/zinc/24/10/74/567241074.db2.gz NXXNMNUUSHJYHR-UHFFFAOYSA-N -1 3 387.075 3.184 10 0 GGAEHM CCOCCOc1ccc(Br)cc1CNCc1ncccc1[O-] ZINC000475342342 567242217 /nfs/dbraw/zinc/24/22/17/567242217.db2.gz JQZZMFDEYRSXSG-UHFFFAOYSA-N -1 3 381.270 3.255 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NC[C@H]1CCOc2ccccc21 ZINC000547745710 567243277 /nfs/dbraw/zinc/24/32/77/567243277.db2.gz CNNIVKFJZXQONG-CYBMUJFWSA-N -1 3 376.250 3.380 10 0 GGAEHM CN1C(=O)CCc2cc(NC(=O)Cc3ccc(Br)cc3[O-])ccc21 ZINC000547745822 567243420 /nfs/dbraw/zinc/24/34/20/567243420.db2.gz QHUHAFYDQNHMAQ-UHFFFAOYSA-N -1 3 389.249 3.245 10 0 GGAEHM CN(CCNC(=O)Cc1ccc(Br)cc1[O-])Cc1ccc(F)cc1 ZINC000547749479 567243546 /nfs/dbraw/zinc/24/35/46/567243546.db2.gz BTVOYUAUGDAHCC-UHFFFAOYSA-N -1 3 395.272 3.085 10 0 GGAEHM CCc1ccc([C@H]2COCCN2C(=O)Cc2ccc(Br)cc2[O-])o1 ZINC000433355354 567243645 /nfs/dbraw/zinc/24/36/45/567243645.db2.gz VTPSODOCTQJIRA-OAHLLOKOSA-N -1 3 394.265 3.453 10 0 GGAEHM O=C(NCc1ncccc1[O-])Nc1cc(Cl)ccc1N1CCSCC1 ZINC000547772650 567245496 /nfs/dbraw/zinc/24/54/96/567245496.db2.gz FTWVPVXHEOSJBI-UHFFFAOYSA-N -1 3 378.885 3.316 10 0 GGAEHM O=S(=O)([N-]CC1(CO)CC2(CCC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000433367713 567245880 /nfs/dbraw/zinc/24/58/80/567245880.db2.gz RINCMWLFFLBUTQ-UHFFFAOYSA-N -1 3 381.391 3.066 10 0 GGAEHM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000433362177 567245895 /nfs/dbraw/zinc/24/58/95/567245895.db2.gz JGBDTGWEABNOEA-AWEZNQCLSA-N -1 3 378.270 3.401 10 0 GGAEHM Cc1cc(F)cc2c(=O)c(C(=O)Nc3cncc(Br)c3)c[n-]c12 ZINC000433373822 567246071 /nfs/dbraw/zinc/24/60/71/567246071.db2.gz HLUAXAGMABOJKT-UHFFFAOYSA-N -1 3 376.185 3.385 10 0 GGAEHM O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000567450800 567246408 /nfs/dbraw/zinc/24/64/08/567246408.db2.gz ZWWMXEJXIPIVFZ-UHFFFAOYSA-N -1 3 384.248 3.115 10 0 GGAEHM CC1(C)CCCC[C@@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000433384103 567246911 /nfs/dbraw/zinc/24/69/11/567246911.db2.gz VCVRTBIXDLEQAB-LLVKDONJSA-N -1 3 378.947 3.012 10 0 GGAEHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H](O)C(C)C ZINC000660026582 567248580 /nfs/dbraw/zinc/24/85/80/567248580.db2.gz GWQZQFAYUHQRAF-ZWKOTPCHSA-N -1 3 383.897 3.385 10 0 GGAEHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1C(C)(C)C1(F)F ZINC000660022373 567248601 /nfs/dbraw/zinc/24/86/01/567248601.db2.gz UAUSTTHIIQEPGX-AWEZNQCLSA-N -1 3 397.871 3.325 10 0 GGAEHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC000660026580 567249038 /nfs/dbraw/zinc/24/90/38/567249038.db2.gz GWQZQFAYUHQRAF-ROUUACIJSA-N -1 3 383.897 3.385 10 0 GGAEHM O=S(=O)([N-]CC1CCC(O)CC1)c1cc(Cl)ccc1OCC1CCC1 ZINC000660024937 567249056 /nfs/dbraw/zinc/24/90/56/567249056.db2.gz OMVNHJOUWQFGIE-UHFFFAOYSA-N -1 3 387.929 3.348 10 0 GGAEHM COc1cc(=NC(=O)CCCSc2ccc(Br)cc2)[n-]n1C ZINC000547815967 567249074 /nfs/dbraw/zinc/24/90/74/567249074.db2.gz KMVCMKGBUSXBAN-UHFFFAOYSA-N -1 3 384.299 3.124 10 0 GGAEHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccccc1Br)c1ccccc1 ZINC000660029808 567249163 /nfs/dbraw/zinc/24/91/63/567249163.db2.gz NXNJIAFADFLZFK-IRXDYDNUSA-N -1 3 398.322 3.486 10 0 GGAEHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccccc1 ZINC000660029031 567249231 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387.237 3.316 10 0 GGAEHM CN(C(=O)c1cccc2n[n-]nc21)[C@H]1CCOc2ccc(Br)cc21 ZINC000525873826 567273325 /nfs/dbraw/zinc/27/33/25/567273325.db2.gz NVUNOZZUCYKKCV-AWEZNQCLSA-N -1 3 387.237 3.316 10 0 GGAEHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H](C)O ZINC000660162311 567273280 /nfs/dbraw/zinc/27/32/80/567273280.db2.gz VOUSMRMLCBMJJE-GXFFZTMASA-N -1 3 390.324 3.219 10 0 GGAEHM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000660163483 567273417 /nfs/dbraw/zinc/27/34/17/567273417.db2.gz VFNYHOVZESQTGZ-ZUZCIYMTSA-N -1 3 377.359 3.245 10 0 GGAEHM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccccc1 ZINC000660161574 567273718 /nfs/dbraw/zinc/27/37/18/567273718.db2.gz GNBOLJWRJCIWSU-ZUZCIYMTSA-N -1 3 377.359 3.245 10 0 GGAEHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)O)cc1Cl ZINC000660164489 567273760 /nfs/dbraw/zinc/27/37/60/567273760.db2.gz YTIYIECXTYSQEC-HWPZZCPQSA-N -1 3 390.288 3.402 10 0 GGAEHM C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)c1ccccc1 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567279670 /nfs/dbraw/zinc/27/96/70/567279670.db2.gz WIPIOJLKNCLEAH-UHFFFAOYSA-N -1 3 387.395 3.108 10 0 GGAEHM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)c1 ZINC000475833986 567280746 /nfs/dbraw/zinc/28/07/46/567280746.db2.gz PEDSSKOBIACESL-UHFFFAOYSA-N -1 3 380.853 3.093 10 0 GGAEHM COc1cc(=NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)[n-]n1C ZINC000548144320 567284225 /nfs/dbraw/zinc/28/42/25/567284225.db2.gz ISUUSFTVRUTNRV-UHFFFAOYSA-N -1 3 383.633 3.000 10 0 GGAEHM COC(=O)c1cc(C(=O)[N-]c2cccc3cc(Br)cnc32)no1 ZINC000567878511 567286356 /nfs/dbraw/zinc/28/63/56/567286356.db2.gz NYZFQXQZUITDQH-UHFFFAOYSA-N -1 3 376.166 3.024 10 0 GGAEHM C[S@](=O)Cc1ccccc1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000499964341 567287223 /nfs/dbraw/zinc/28/72/23/567287223.db2.gz QBHWXHPJYAUGQX-QFIPXVFZSA-N -1 3 382.279 3.214 10 0 GGAEHM COc1cc(=NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)[n-]n1C ZINC000548189808 567287620 /nfs/dbraw/zinc/28/76/20/567287620.db2.gz SYNFAYRWYUTMMA-JTQLQIEISA-N -1 3 376.869 3.172 10 0 GGAEHM CCN(CC)c1nc2sc(C(=O)[N-]c3nnc(C4CC4)n3C)cc2s1 ZINC000617289173 567295744 /nfs/dbraw/zinc/29/57/44/567295744.db2.gz FFMLKYYZMBAHCR-UHFFFAOYSA-N -1 3 376.511 3.462 10 0 GGAEHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cc2[nH]ccc2s1 ZINC000476098255 567295927 /nfs/dbraw/zinc/29/59/27/567295927.db2.gz VZVOCQWNQBTLQV-UHFFFAOYSA-N -1 3 379.438 3.062 10 0 GGAEHM CC[C@@H](NC(=O)N=c1cc(OC)n(C)[n-]1)c1cc(F)cc(Br)c1 ZINC000548273956 567304139 /nfs/dbraw/zinc/30/41/39/567304139.db2.gz MOSSBSWHIRRYHK-GFCCVEGCSA-N -1 3 385.237 3.025 10 0 GGAEHM CC(C)(C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C1=CCCCC1 ZINC000476215683 567306070 /nfs/dbraw/zinc/30/60/70/567306070.db2.gz HSUQENKMPCVLBT-UHFFFAOYSA-N -1 3 389.514 3.034 10 0 GGAEHM C[C@@H]1C[C@@H]([N-]C(=O)c2c(F)c(F)c(Br)c(F)c2F)c2ncnn21 ZINC000617425680 567308413 /nfs/dbraw/zinc/30/84/13/567308413.db2.gz PVTDHAIPGSFNMC-RFZPGFLSSA-N -1 3 393.138 3.033 10 0 GGAEHM CC(C)OC(=O)C[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000500250654 567309631 /nfs/dbraw/zinc/30/96/31/567309631.db2.gz DHGHWPSXIATSEU-ZDUSSCGKSA-N -1 3 398.297 3.278 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCO[C@@H](c2ccsc2)C1 ZINC000548405083 567313220 /nfs/dbraw/zinc/31/32/20/567313220.db2.gz VORLMWQNRZOYQH-OAHLLOKOSA-N -1 3 382.279 3.359 10 0 GGAEHM Cc1cnc(-c2cnn(C)c2[N-]S(=O)(=O)CCc2cccc(Cl)c2)o1 ZINC000568247712 567314917 /nfs/dbraw/zinc/31/49/17/567314917.db2.gz UUOUAASEYUUKKG-UHFFFAOYSA-N -1 3 380.857 3.021 10 0 GGAEHM Cc1nccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1Br ZINC000527112659 567316083 /nfs/dbraw/zinc/31/60/83/567316083.db2.gz NASYFBUZUMASLS-UHFFFAOYSA-N -1 3 375.675 3.337 10 0 GGAEHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cscn1 ZINC000568265300 567316318 /nfs/dbraw/zinc/31/63/18/567316318.db2.gz SXVIDZSYXMAOGP-WDEREUQCSA-N -1 3 390.914 3.250 10 0 GGAEHM COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cscn1 ZINC000568265299 567316564 /nfs/dbraw/zinc/31/65/64/567316564.db2.gz SXVIDZSYXMAOGP-QWRGUYRKSA-N -1 3 390.914 3.250 10 0 GGAEHM Cn1cc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(-c2ccc(Cl)s2)n1 ZINC000527208197 567320028 /nfs/dbraw/zinc/32/00/28/567320028.db2.gz SYCNVFPOWORLQU-LLVKDONJSA-N -1 3 377.857 3.051 10 0 GGAEHM O=S(=O)([N-][C@H](c1cccnc1)C1CC1)c1ccc(Br)cc1F ZINC000476508184 567330162 /nfs/dbraw/zinc/33/01/62/567330162.db2.gz BUTZVTMRQCDAFE-HNNXBMFYSA-N -1 3 385.258 3.413 10 0 GGAEHM CN(CC[N-]S(=O)(=O)c1cc(Br)ccc1F)C1CCCCC1 ZINC000500601731 567333271 /nfs/dbraw/zinc/33/32/71/567333271.db2.gz MNLUMPFXXXMEBT-UHFFFAOYSA-N -1 3 393.322 3.131 10 0 GGAEHM O=S(=O)([N-][C@H]1CCc2ccccc2C1)c1cc(Br)ccc1F ZINC000500632158 567334812 /nfs/dbraw/zinc/33/48/12/567334812.db2.gz JXQOUGFHHYABQP-AWEZNQCLSA-N -1 3 384.270 3.424 10 0 GGAEHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1cccs1 ZINC000568566420 567338497 /nfs/dbraw/zinc/33/84/97/567338497.db2.gz DOXACQFBIPGJJT-ZDUSSCGKSA-N -1 3 394.440 3.200 10 0 GGAEHM CN(Cc1ccc([S@](C)=O)cc1)C(=O)Cc1ccc(Br)cc1[O-] ZINC000548732747 567345314 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COc1ccc(NC(=O)c2cc3cc(Cl)sc3[n-]2)cc1OCC(N)=O ZINC000568692406 567349976 /nfs/dbraw/zinc/34/99/76/567349976.db2.gz VSIJZOQGUQZOSK-UHFFFAOYSA-N -1 3 379.825 3.008 10 0 GGAEHM CC(C)[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccccc1F ZINC000617991776 567350324 /nfs/dbraw/zinc/35/03/24/567350324.db2.gz MMNFGMPKZKFLKI-BLLLJJGKSA-N -1 3 384.498 3.068 10 0 GGAEHM COc1ccc(S(=O)(=O)[N-]CCCc2ccccn2)c(Cl)c1Cl ZINC000435222633 567350950 /nfs/dbraw/zinc/35/09/50/567350950.db2.gz LYOGLOZRYUMPCF-UHFFFAOYSA-N -1 3 375.277 3.308 10 0 GGAEHM COc1cccc2c1nc(NC(=O)Cc1ccc(Br)cc1[O-])n2C ZINC000500890076 567351487 /nfs/dbraw/zinc/35/14/87/567351487.db2.gz FGFJCWXPLUFYGX-UHFFFAOYSA-N -1 3 390.237 3.231 10 0 GGAEHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CCc2ccc(F)c(Br)c2C1 ZINC000527627186 567351814 /nfs/dbraw/zinc/35/18/14/567351814.db2.gz BKOQKPMTJVEWLS-UHFFFAOYSA-N -1 3 392.228 3.160 10 0 GGAEHM CC(C)(C)OC(=O)CCC(=O)Nc1cc(I)ccc1[O-] ZINC000618017959 567352820 /nfs/dbraw/zinc/35/28/20/567352820.db2.gz HQMCGUGMSKNBKV-UHFFFAOYSA-N -1 3 391.205 3.057 10 0 GGAEHM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000500904638 567352995 /nfs/dbraw/zinc/35/29/95/567352995.db2.gz PKOMQNZCOHCFPE-UHFFFAOYSA-N -1 3 388.823 3.262 10 0 GGAEHM CC(C)(C)OC(=O)Cn1cnc([N-]C(=O)c2c(Cl)cc(F)cc2Cl)n1 ZINC000592652636 567353753 /nfs/dbraw/zinc/35/37/53/567353753.db2.gz GXIAKADGWIGNKF-UHFFFAOYSA-N -1 3 389.214 3.318 10 0 GGAEHM CC1=C[C@H](C)CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000435270508 567353739 /nfs/dbraw/zinc/35/37/39/567353739.db2.gz SKUSNSHPLXPOEG-JTQLQIEISA-N -1 3 376.400 3.115 10 0 GGAEHM CC(C)(C)OC(=O)Cn1cnc([N-]C(=O)c2cc(Cl)sc2Cl)n1 ZINC000592655897 567354539 /nfs/dbraw/zinc/35/45/39/567354539.db2.gz GKSUFVTYDWPHFU-UHFFFAOYSA-N -1 3 377.253 3.240 10 0 GGAEHM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000568816506 567359695 /nfs/dbraw/zinc/35/96/95/567359695.db2.gz KIRWVWXHADANHS-HTQZYQBOSA-N -1 3 390.221 3.170 10 0 GGAEHM Cc1csc(C2([N-]S(=O)(=O)c3c(C(F)F)c(C)nn3C)CCCC2)n1 ZINC000568844083 567360339 /nfs/dbraw/zinc/36/03/39/567360339.db2.gz BNUCDLAXPAQDDB-UHFFFAOYSA-N -1 3 390.481 3.179 10 0 GGAEHM CCc1nccn1[C@H](C)CC(=O)Nc1cc(I)ccc1[O-] ZINC000592780596 567361946 /nfs/dbraw/zinc/36/19/46/567361946.db2.gz OBRREIATDXGXMC-SNVBAGLBSA-N -1 3 399.232 3.346 10 0 GGAEHM C[C@H]1CCn2ncc(C(=O)Nc3cc(I)ccc3[O-])c2C1 ZINC000592780964 567362420 /nfs/dbraw/zinc/36/24/20/567362420.db2.gz SBJGHGVMTFTPPM-VIFPVBQESA-N -1 3 397.216 3.028 10 0 GGAEHM CCOC(=O)c1ncc(NC(=O)[C@@H]2CCc3cc(Br)ccc32)[n-]1 ZINC000592792754 567363388 /nfs/dbraw/zinc/36/33/88/567363388.db2.gz DWIDSBZYPMROKJ-GFCCVEGCSA-N -1 3 378.226 3.017 10 0 GGAEHM CCOC(=O)c1nc(NC(=O)[C@@H]2CCc3cc(Br)ccc32)c[n-]1 ZINC000592792754 567363393 /nfs/dbraw/zinc/36/33/93/567363393.db2.gz DWIDSBZYPMROKJ-GFCCVEGCSA-N -1 3 378.226 3.017 10 0 GGAEHM CC(C)(C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(F)(F)F ZINC000548988547 567366704 /nfs/dbraw/zinc/36/67/04/567366704.db2.gz JDYCZYUIOQLPMH-UHFFFAOYSA-N -1 3 384.807 3.092 10 0 GGAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)c1 ZINC000501159129 567369261 /nfs/dbraw/zinc/36/92/61/567369261.db2.gz ZRSXJDCJBMQOCW-NEPJUHHUSA-N -1 3 375.416 3.392 10 0 GGAEHM CC(C)(C)C1=CCN(CCNC(=O)Cc2ccc(Br)cc2[O-])CC1 ZINC000501143636 567369508 /nfs/dbraw/zinc/36/95/08/567369508.db2.gz FSSRLFHFJWSEDT-UHFFFAOYSA-N -1 3 395.341 3.492 10 0 GGAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cccc(I)c1C ZINC000592950367 567373815 /nfs/dbraw/zinc/37/38/15/567373815.db2.gz UBMXYYNYWXOWPS-UHFFFAOYSA-N -1 3 383.233 3.429 10 0 GGAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(I)cc1F ZINC000592949591 567374246 /nfs/dbraw/zinc/37/42/46/567374246.db2.gz KLPVMOIXLKBACQ-UHFFFAOYSA-N -1 3 387.196 3.259 10 0 GGAEHM Cn1cc(CN=c2ncc3scc(Br)c3[n-]2)c(C(F)(F)F)n1 ZINC000569019977 567374385 /nfs/dbraw/zinc/37/43/85/567374385.db2.gz RPXVZEBHZAYKCI-UHFFFAOYSA-N -1 3 392.204 3.240 10 0 GGAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc(I)ccc1C ZINC000592948848 567374542 /nfs/dbraw/zinc/37/45/42/567374542.db2.gz CTMHFXCYQRYSGT-UHFFFAOYSA-N -1 3 383.233 3.429 10 0 GGAEHM O=C(Cc1cncc([O-])c1)N[C@H]1CSCc2ccc(Br)cc21 ZINC000618359772 567377451 /nfs/dbraw/zinc/37/74/51/567377451.db2.gz DLURLJVMIHGKGS-HNNXBMFYSA-N -1 3 379.279 3.197 10 0 GGAEHM O=C(Nc1n[n-]c(-c2ccc(Br)cc2F)n1)[C@H]1C[C@@H]1C(F)F ZINC000549183844 567378751 /nfs/dbraw/zinc/37/87/51/567378751.db2.gz IMSZWDKNSPCVGE-YUMQZZPRSA-N -1 3 375.148 3.213 10 0 GGAEHM CN1CCN(C(=O)Cc2ccc(Br)cc2[O-])[C@@H](c2ccccc2)C1 ZINC000477208101 567380341 /nfs/dbraw/zinc/38/03/41/567380341.db2.gz PFHYDACQGKYUQW-QGZVFWFLSA-N -1 3 389.293 3.213 10 0 GGAEHM CN1CCN(C(=O)Cc2ccc(Br)cc2[O-])[C@H](c2ccccc2)C1 ZINC000477208100 567380777 /nfs/dbraw/zinc/38/07/77/567380777.db2.gz PFHYDACQGKYUQW-KRWDZBQOSA-N -1 3 389.293 3.213 10 0 GGAEHM COC(=O)c1[n-]c(=NCCC(=O)Nc2cc(Cl)cc(Cl)c2)sc1C ZINC000549251849 567381152 /nfs/dbraw/zinc/38/11/52/567381152.db2.gz DKDWWYBAOAYFRM-UHFFFAOYSA-N -1 3 388.276 3.408 10 0 GGAEHM C[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])c1ccc2c(c1)OCO2 ZINC000477273649 567385675 /nfs/dbraw/zinc/38/56/75/567385675.db2.gz WCHZUIWEPASAET-SNVBAGLBSA-N -1 3 378.222 3.303 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])Nc1cccc(N2CCCC2=O)c1 ZINC000477293428 567387433 /nfs/dbraw/zinc/38/74/33/567387433.db2.gz MRYPCALIIKZKQC-UHFFFAOYSA-N -1 3 389.249 3.463 10 0 GGAEHM CN(CCOc1ccc(F)cc1)C(=O)Cc1ccc(Br)cc1[O-] ZINC000477315199 567388232 /nfs/dbraw/zinc/38/82/32/567388232.db2.gz GWFGZYGJPPPSBF-UHFFFAOYSA-N -1 3 382.229 3.374 10 0 GGAEHM C[C@H]1Oc2ccc(NC(=O)Cc3ccc(Br)cc3[O-])cc2NC1=O ZINC000477309870 567388392 /nfs/dbraw/zinc/38/83/92/567388392.db2.gz RKBNFAUIKGBIID-SECBINFHSA-N -1 3 391.221 3.055 10 0 GGAEHM C[C@@H](CNC(=O)Cc1ccc(Br)cc1[O-])Oc1ccc(F)cc1 ZINC000477358903 567390375 /nfs/dbraw/zinc/39/03/75/567390375.db2.gz BHMPBJPUHVJCPT-NSHDSACASA-N -1 3 382.229 3.420 10 0 GGAEHM CN1CCN(C(=O)Cc2ccc(Br)cc2[O-])c2ccc(F)cc21 ZINC000477384447 567390774 /nfs/dbraw/zinc/39/07/74/567390774.db2.gz UFNCSYQIVSTJAD-UHFFFAOYSA-N -1 3 379.229 3.319 10 0 GGAEHM C[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])c1nc(C(C)(C)C)no1 ZINC000477361167 567391034 /nfs/dbraw/zinc/39/10/34/567391034.db2.gz JGODEFRYVNPFAG-SECBINFHSA-N -1 3 382.258 3.255 10 0 GGAEHM C[S@](=O)Cc1cccc(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000477376951 567391297 /nfs/dbraw/zinc/39/12/97/567391297.db2.gz LUODKCVTYYDMDE-QFIPXVFZSA-N -1 3 382.279 3.214 10 0 GGAEHM Cc1nc2sccn2c1CN(C)C(=O)Cc1ccc(Br)cc1[O-] ZINC000477372988 567391738 /nfs/dbraw/zinc/39/17/38/567391738.db2.gz MQTSFYQUBYLTSR-UHFFFAOYSA-N -1 3 394.294 3.373 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])Nc1ccc(N2CCCC2)cn1 ZINC000477416537 567393010 /nfs/dbraw/zinc/39/30/10/567393010.db2.gz DHYWNKSWYUAFIV-UHFFFAOYSA-N -1 3 376.254 3.331 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCO[C@H](c2cccs2)C1 ZINC000477428259 567393694 /nfs/dbraw/zinc/39/36/94/567393694.db2.gz QSSJOIJJBTZFRV-AWEZNQCLSA-N -1 3 382.279 3.359 10 0 GGAEHM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000618508180 567395436 /nfs/dbraw/zinc/39/54/36/567395436.db2.gz LJEYJBVMXFNPJT-GMXVVIOVSA-N -1 3 375.266 3.457 10 0 GGAEHM O=S(=O)([N-]CC1(CO)CC2(CCC2)C1)c1csc(-c2ccccc2)n1 ZINC000435927615 567396981 /nfs/dbraw/zinc/39/69/81/567396981.db2.gz NGIPVVFDBVVORT-UHFFFAOYSA-N -1 3 378.519 3.031 10 0 GGAEHM CC1(C2(NC(=O)CC[N-]S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1 ZINC000456650377 567398298 /nfs/dbraw/zinc/39/82/98/567398298.db2.gz CRQADOPEFPIRBC-UHFFFAOYSA-N -1 3 391.320 3.111 10 0 GGAEHM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1nnc2ccccn21 ZINC000569373629 567399147 /nfs/dbraw/zinc/39/91/47/567399147.db2.gz OOUALQWLHSJWOJ-OAHLLOKOSA-N -1 3 382.848 3.197 10 0 GGAEHM O=S(=O)([N-]c1cccc(Br)c1Cl)c1cnc2n1CCC2 ZINC000549606476 567400288 /nfs/dbraw/zinc/40/02/88/567400288.db2.gz GRZJBQPJHWJMGH-UHFFFAOYSA-N -1 3 376.663 3.046 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCO[C@H](c2ccccc2F)C1 ZINC000477617474 567404820 /nfs/dbraw/zinc/40/48/20/567404820.db2.gz RKMJUTVBLLAADY-KRWDZBQOSA-N -1 3 394.240 3.436 10 0 GGAEHM Cc1nc(C2(NC(=O)Cc3ccc(Br)cc3[O-])CCCCC2)no1 ZINC000477608801 567404934 /nfs/dbraw/zinc/40/49/34/567404934.db2.gz SJWNLUNPSSSEIC-UHFFFAOYSA-N -1 3 394.269 3.364 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CC[C@H](Nc2ccccc2)C1 ZINC000477620099 567405372 /nfs/dbraw/zinc/40/53/72/567405372.db2.gz SSNUBROLSPGGAV-INIZCTEOSA-N -1 3 375.266 3.410 10 0 GGAEHM CCCOc1ncccc1CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000477607718 567405415 /nfs/dbraw/zinc/40/54/15/567405415.db2.gz LNCGNKBLOZWYKV-UHFFFAOYSA-N -1 3 379.254 3.197 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])Nc1nnc(C(F)(F)F)s1 ZINC000477621271 567405467 /nfs/dbraw/zinc/40/54/67/567405467.db2.gz YMGVFRXNKKGLSJ-UHFFFAOYSA-N -1 3 382.161 3.206 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]Cc1sccc1C ZINC000528312263 567410043 /nfs/dbraw/zinc/41/00/43/567410043.db2.gz QYIIPEQQTKEMQV-UHFFFAOYSA-N -1 3 381.397 3.442 10 0 GGAEHM CC[C@@H]([N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F)c1nccs1 ZINC000528324412 567410623 /nfs/dbraw/zinc/41/06/23/567410623.db2.gz ARSRYOCBLUXREZ-SECBINFHSA-N -1 3 396.412 3.480 10 0 GGAEHM Cc1c(Br)cccc1C[C@H](CO)CNC(=O)c1cccc([O-])c1 ZINC000456726912 567410808 /nfs/dbraw/zinc/41/08/08/567410808.db2.gz REKYHVVUPOGVQX-ZDUSSCGKSA-N -1 3 378.266 3.044 10 0 GGAEHM CC[C@H]([N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F)c1nccs1 ZINC000528324413 567411212 /nfs/dbraw/zinc/41/12/12/567411212.db2.gz ARSRYOCBLUXREZ-VIFPVBQESA-N -1 3 396.412 3.480 10 0 GGAEHM COc1ccc([O-])c(C(=O)N2CCOC[C@H]2c2cccc(Br)c2)c1 ZINC000618771380 567412016 /nfs/dbraw/zinc/41/20/16/567412016.db2.gz CXESCCDZLJLVTP-INIZCTEOSA-N -1 3 392.249 3.377 10 0 GGAEHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)CC[C@H]2C)cc1 ZINC000436177914 567412105 /nfs/dbraw/zinc/41/21/05/567412105.db2.gz GTFPQUNYSFLMDH-HUUCEWRRSA-N -1 3 388.555 3.038 10 0 GGAEHM O=C(Cc1ccc([O-])c(F)c1)N1CCOC[C@@H]1c1cccc(Br)c1 ZINC000618771285 567412251 /nfs/dbraw/zinc/41/22/51/567412251.db2.gz CONUCJIMJPTUIC-MRXNPFEDSA-N -1 3 394.240 3.436 10 0 GGAEHM CO[C@H](CS(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000528347303 567413627 /nfs/dbraw/zinc/41/36/27/567413627.db2.gz ZIFPCRPIODLQBX-DOTOQJQBSA-N -1 3 385.844 3.220 10 0 GGAEHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-]C3CCC(C(F)F)CC3)cc2N1 ZINC000569557577 567413759 /nfs/dbraw/zinc/41/37/59/567413759.db2.gz STVDZNZERPIPRK-UHFFFAOYSA-N -1 3 392.855 3.327 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CC1(C2CC2)CCC1 ZINC000528349627 567414325 /nfs/dbraw/zinc/41/43/25/567414325.db2.gz IOMLKDILTIPTJK-UHFFFAOYSA-N -1 3 379.400 3.452 10 0 GGAEHM COc1cccc(C(=O)N2CCOC[C@H]2c2cccc(Br)c2)c1[O-] ZINC000618776789 567414411 /nfs/dbraw/zinc/41/44/11/567414411.db2.gz QAVVZZXEYPIHDH-HNNXBMFYSA-N -1 3 392.249 3.377 10 0 GGAEHM COC1(CC[N-]S(=O)(=O)c2cc(Br)cc3cccnc32)CCC1 ZINC000549863501 567414976 /nfs/dbraw/zinc/41/49/76/567414976.db2.gz KMZLMQWCEPDVPV-UHFFFAOYSA-N -1 3 399.310 3.235 10 0 GGAEHM COc1cc(CC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)ccc1Cl ZINC000549945471 567421236 /nfs/dbraw/zinc/42/12/36/567421236.db2.gz DHXYPCBYBDWREK-UHFFFAOYSA-N -1 3 394.802 3.283 10 0 GGAEHM CC1(C2(NC(=O)c3cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c3)CC2)CC1 ZINC000569682444 567423133 /nfs/dbraw/zinc/42/31/33/567423133.db2.gz TWQQTWHXXDKANN-UHFFFAOYSA-N -1 3 376.400 3.139 10 0 GGAEHM O=S(=O)([N-]CC[C@@H]1CCCOC1)c1c(Cl)cccc1Br ZINC000528447733 567423417 /nfs/dbraw/zinc/42/34/17/567423417.db2.gz DOVJBTDQKVENRH-JTQLQIEISA-N -1 3 382.707 3.198 10 0 GGAEHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]CC(F)(F)C(C)(C)C)c(Cl)cc21 ZINC000528436823 567423428 /nfs/dbraw/zinc/42/34/28/567423428.db2.gz JOKDVVRUTPBWMY-UHFFFAOYSA-N -1 3 394.871 3.209 10 0 GGAEHM O=C(NC[C@@H]1C[C@H]1C1CC1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000456886610 567424076 /nfs/dbraw/zinc/42/40/76/567424076.db2.gz UHCYYWXFAYDVSJ-JSGCOSHPSA-N -1 3 396.559 3.064 10 0 GGAEHM O=S(=O)([N-]CC[C@@H]1CCCOC1)c1ccc(Cl)cc1Br ZINC000528449437 567424551 /nfs/dbraw/zinc/42/45/51/567424551.db2.gz LQQVNMOJIWYNFL-JTQLQIEISA-N -1 3 382.707 3.198 10 0 GGAEHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]CC(C2CCC2)C2CCC2)s1 ZINC000528449201 567424852 /nfs/dbraw/zinc/42/48/52/567424852.db2.gz HDTCEQVKYDYMBX-LBPRGKRZSA-N -1 3 384.567 3.440 10 0 GGAEHM O=S(=O)([N-]CC[C@H]1CCCOC1)c1ccc(Cl)cc1Br ZINC000528449439 567425102 /nfs/dbraw/zinc/42/51/02/567425102.db2.gz LQQVNMOJIWYNFL-SNVBAGLBSA-N -1 3 382.707 3.198 10 0 GGAEHM CC(C)(C)c1ccc(S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)s1 ZINC000528453248 567425181 /nfs/dbraw/zinc/42/51/81/567425181.db2.gz SASIAMLCUIQPPJ-SNVBAGLBSA-N -1 3 381.445 3.324 10 0 GGAEHM O=S(=O)([N-]CC[C@@H]1CCCOC1)c1cc(Br)cc2cccnc21 ZINC000528453053 567425192 /nfs/dbraw/zinc/42/51/92/567425192.db2.gz YKEFEPKDMOTYLQ-LBPRGKRZSA-N -1 3 399.310 3.092 10 0 GGAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3[C@H]4Cc5cc(Cl)ccc5[C@@H]34)cn21 ZINC000528459741 567426320 /nfs/dbraw/zinc/42/63/20/567426320.db2.gz BXGGABBPEYEOGV-DSUZTOQUSA-N -1 3 377.897 3.050 10 0 GGAEHM O=S(=O)([N-][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1cnccc1C(F)(F)F ZINC000528464492 567426332 /nfs/dbraw/zinc/42/63/32/567426332.db2.gz JHONTRAUTCCMST-NILFDRSVSA-N -1 3 388.798 3.370 10 0 GGAEHM CC(C)Cn1cnc(S(=O)(=O)[N-]C(C)(C)c2nc3ccccc3s2)c1 ZINC000528471433 567427373 /nfs/dbraw/zinc/42/73/73/567427373.db2.gz QFDMGFZRVWFORE-UHFFFAOYSA-N -1 3 378.523 3.362 10 0 GGAEHM Cc1cc(CS(=O)(=O)[N-][C@@H](C)c2cc(F)c(Br)cc2F)no1 ZINC000528477989 567427825 /nfs/dbraw/zinc/42/78/25/567427825.db2.gz NNNLMEOHPBZXGW-QMMMGPOBSA-N -1 3 395.225 3.204 10 0 GGAEHM Cn1[n-]c([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)nc1=N ZINC000550116887 567427859 /nfs/dbraw/zinc/42/78/59/567427859.db2.gz REUHXPIMWZNKEG-DYEKYZERSA-N -1 3 380.279 3.002 10 0 GGAEHM O=S(=O)([N-][C@H](c1ccccn1)C1CCC1)c1ccc(Cl)c2nonc21 ZINC000528503806 567430833 /nfs/dbraw/zinc/43/08/33/567430833.db2.gz VARRWANVMLOCQF-AWEZNQCLSA-N -1 3 378.841 3.091 10 0 GGAEHM O=S(=O)([N-][C@@H](c1ccccn1)C1CCC1)c1ccc(Cl)c2nonc21 ZINC000528503810 567431019 /nfs/dbraw/zinc/43/10/19/567431019.db2.gz VARRWANVMLOCQF-CQSZACIVSA-N -1 3 378.841 3.091 10 0 GGAEHM CN1CC[C@@H](NC(=O)c2ccc(Br)cc2[O-])[C@H]1c1ccccc1 ZINC000436524734 567431210 /nfs/dbraw/zinc/43/12/10/567431210.db2.gz KJKBJQGNVUORHO-NVXWUHKLSA-N -1 3 375.266 3.330 10 0 GGAEHM Cc1cccc(C(=O)NCc2cc(Br)c3c(c2)OCCO3)c1[O-] ZINC000436533638 567431903 /nfs/dbraw/zinc/43/19/03/567431903.db2.gz GVBLYEFCWRNNTG-UHFFFAOYSA-N -1 3 378.222 3.164 10 0 GGAEHM CC(C)S(=O)(=O)c1ccccc1[N-]C(=O)c1ncsc1Br ZINC000569798900 567433218 /nfs/dbraw/zinc/43/32/18/567433218.db2.gz XTRXWKMKKOVKME-UHFFFAOYSA-N -1 3 389.296 3.340 10 0 GGAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000528548369 567435353 /nfs/dbraw/zinc/43/53/53/567435353.db2.gz JNLMXYIMDKWFNQ-LOKDSWTASA-N -1 3 382.707 3.193 10 0 GGAEHM COc1cccc(C(=O)N(C)CCOc2ccc(Br)cc2)c1[O-] ZINC000436553637 567435360 /nfs/dbraw/zinc/43/53/60/567435360.db2.gz DRAQJPULSURIKX-UHFFFAOYSA-N -1 3 380.238 3.314 10 0 GGAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000528543614 567435977 /nfs/dbraw/zinc/43/59/77/567435977.db2.gz BVCIBKMORXJBQC-SREGZZRCSA-N -1 3 382.707 3.193 10 0 GGAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000528543612 567436350 /nfs/dbraw/zinc/43/63/50/567436350.db2.gz BVCIBKMORXJBQC-APOZVJGGSA-N -1 3 382.707 3.193 10 0 GGAEHM CC(C)(N)c1cc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)on1 ZINC000662437621 567436588 /nfs/dbraw/zinc/43/65/88/567436588.db2.gz GJYOMWJZWJITTN-UHFFFAOYSA-N -1 3 375.479 3.265 10 0 GGAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000528550271 567436916 /nfs/dbraw/zinc/43/69/16/567436916.db2.gz UXHQVJNGXQFQDM-AWEZNQCLSA-N -1 3 392.308 3.179 10 0 GGAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(C)C)s1 ZINC000528550368 567436959 /nfs/dbraw/zinc/43/69/59/567436959.db2.gz VBZJTYOKRRAQFC-GOSISDBHSA-N -1 3 380.535 3.368 10 0 GGAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](c2cccc(C)c2)C(C)C)s1 ZINC000528550373 567436999 /nfs/dbraw/zinc/43/69/99/567436999.db2.gz VBZJTYOKRRAQFC-SFHVURJKSA-N -1 3 380.535 3.368 10 0 GGAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000528555460 567437057 /nfs/dbraw/zinc/43/70/57/567437057.db2.gz QNUDDNVYPRPXCQ-LOKDSWTASA-N -1 3 382.707 3.193 10 0 GGAEHM COC[C@@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000457076147 567437660 /nfs/dbraw/zinc/43/76/60/567437660.db2.gz IMUTWFZQEZHDKZ-GFCCVEGCSA-N -1 3 393.281 3.179 10 0 GGAEHM COC[C@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000457076148 567438171 /nfs/dbraw/zinc/43/81/71/567438171.db2.gz IMUTWFZQEZHDKZ-LBPRGKRZSA-N -1 3 393.281 3.179 10 0 GGAEHM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1cc(C)ccc1C ZINC000528564756 567438554 /nfs/dbraw/zinc/43/85/54/567438554.db2.gz HUAVQIZVOWRBJT-INIZCTEOSA-N -1 3 381.519 3.137 10 0 GGAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000528556928 567438680 /nfs/dbraw/zinc/43/86/80/567438680.db2.gz UDVBVHOGHAONPV-VXFNFUGZSA-N -1 3 382.707 3.193 10 0 GGAEHM O=S(=O)([N-][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)c1cnccc1C(F)(F)F ZINC000528559130 567438917 /nfs/dbraw/zinc/43/89/17/567438917.db2.gz VLEUNKMLJAORJF-COLVAYQJSA-N -1 3 388.798 3.370 10 0 GGAEHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)C(=O)N2CCCC2)c1Cl ZINC000528559801 567439132 /nfs/dbraw/zinc/43/91/32/567439132.db2.gz CUUVTNCRKCFJOP-UHFFFAOYSA-N -1 3 393.336 3.229 10 0 GGAEHM COC(=O)c1cc(S(=O)(=O)Nc2c(F)cc(Cl)c(C)c2F)ccc1[O-] ZINC000436658597 567440129 /nfs/dbraw/zinc/44/01/29/567440129.db2.gz UXQJBMPYQQAJAF-UHFFFAOYSA-N -1 3 391.779 3.220 10 0 GGAEHM O=C(NCc1ccc([O-])c(Br)c1)c1cc(Cc2ccccc2)n[nH]1 ZINC000550318885 567440377 /nfs/dbraw/zinc/44/03/77/567440377.db2.gz QUVKYGUKSAKYHT-UHFFFAOYSA-N -1 3 386.249 3.399 10 0 GGAEHM CCOc1cc(CN2CCO[C@@H](COC(C)C)C2)cc(Br)c1[O-] ZINC000569906184 567442198 /nfs/dbraw/zinc/44/21/98/567442198.db2.gz CBUGMQQAOOFQBJ-CQSZACIVSA-N -1 3 388.302 3.179 10 0 GGAEHM CCc1cnc(N2CCN(C(=O)c3cc([O-])cc(Br)c3)CC2)s1 ZINC000528674933 567447538 /nfs/dbraw/zinc/44/75/38/567447538.db2.gz DSTHRUAHLBIRAB-UHFFFAOYSA-N -1 3 396.310 3.136 10 0 GGAEHM Cc1cc([C@@H]2CCN(C(=O)c3csc(=NC4CC4)[n-]3)C2)c(O)cc1Cl ZINC000619373818 567448619 /nfs/dbraw/zinc/44/86/19/567448619.db2.gz FNLVGZILLGFMPG-LLVKDONJSA-N -1 3 377.897 3.436 10 0 GGAEHM C[C@@H](CC(C)(C)C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000457230417 567449605 /nfs/dbraw/zinc/44/96/05/567449605.db2.gz QALDMGSJXRIFGR-LBPRGKRZSA-N -1 3 384.523 3.374 10 0 GGAEHM C[C@H](CC(C)(C)C)NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000457230416 567449717 /nfs/dbraw/zinc/44/97/17/567449717.db2.gz QALDMGSJXRIFGR-GFCCVEGCSA-N -1 3 384.523 3.374 10 0 GGAEHM CC1(C)[C@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1(F)F ZINC000619394189 567450234 /nfs/dbraw/zinc/45/02/34/567450234.db2.gz PGWIKHITHAKYBC-ZDUSSCGKSA-N -1 3 385.208 3.312 10 0 GGAEHM O=C(Cc1ccc2n[nH]cc2c1)Nc1cc(I)ccc1[O-] ZINC000619441229 567452880 /nfs/dbraw/zinc/45/28/80/567452880.db2.gz ASJAZVRVVIEAQZ-UHFFFAOYSA-N -1 3 393.184 3.054 10 0 GGAEHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000594030828 567454405 /nfs/dbraw/zinc/45/44/05/567454405.db2.gz SFEVGRUNKPHOIF-VXGBXAGGSA-N -1 3 382.423 3.386 10 0 GGAEHM COc1cc(Br)ccc1CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000436826438 567456588 /nfs/dbraw/zinc/45/65/88/567456588.db2.gz PPDKGJMRUXWDCY-UHFFFAOYSA-N -1 3 393.237 3.052 10 0 GGAEHM COc1ccccc1N1CC[C@H](NC(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528809671 567458724 /nfs/dbraw/zinc/45/87/24/567458724.db2.gz AYHSSZHINGFAEQ-AWEZNQCLSA-N -1 3 391.265 3.172 10 0 GGAEHM CC(C)CN(Cc1cnn(C)c1)C(=O)Cc1ccc(Br)cc1[O-] ZINC000457342464 567459505 /nfs/dbraw/zinc/45/95/05/567459505.db2.gz LOBCHWWTGGPWQY-UHFFFAOYSA-N -1 3 380.286 3.116 10 0 GGAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000641953064 567462203 /nfs/dbraw/zinc/46/22/03/567462203.db2.gz LOYINYBCSGIORB-VIFPVBQESA-N -1 3 391.251 3.438 10 0 GGAEHM O=C(c1sc2c(c1Br)CNC2)N1CCCc2cccc([O-])c21 ZINC000662788052 567462547 /nfs/dbraw/zinc/46/25/47/567462547.db2.gz WADKDQHRRCTERF-UHFFFAOYSA-N -1 3 379.279 3.412 10 0 GGAEHM CC[C@@H](CC(F)F)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000457404125 567463644 /nfs/dbraw/zinc/46/36/44/567463644.db2.gz PCONOTCLYQJMGB-VIFPVBQESA-N -1 3 388.358 3.147 10 0 GGAEHM C[C@@H](CC(F)(F)F)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000457410607 567464581 /nfs/dbraw/zinc/46/45/81/567464581.db2.gz WSVYZCISLCGMCI-QMMMGPOBSA-N -1 3 392.321 3.054 10 0 GGAEHM CN1CC[C@@H](NC(=O)c2cc([O-])cc(Br)c2)[C@H]1c1ccccc1 ZINC000528912357 567468699 /nfs/dbraw/zinc/46/86/99/567468699.db2.gz GCJUSKMEBSRSSN-IAGOWNOFSA-N -1 3 375.266 3.330 10 0 GGAEHM C[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)c1ncc(Br)cn1 ZINC000436932982 567469084 /nfs/dbraw/zinc/46/90/84/567469084.db2.gz PEEVFSKMJSQDEL-JTQLQIEISA-N -1 3 376.254 3.315 10 0 GGAEHM COC(=O)CCc1nnc([N-]C(=O)c2cc(Cl)c(F)cc2Cl)s1 ZINC000550940345 567469483 /nfs/dbraw/zinc/46/94/83/567469483.db2.gz VCYPVCBUVJVRKK-UHFFFAOYSA-N -1 3 378.212 3.342 10 0 GGAEHM O=S(=O)([N-]C[C@@H]1CCC2(CCCCC2)O1)c1cnccc1C(F)(F)F ZINC000570259315 567470333 /nfs/dbraw/zinc/47/03/33/567470333.db2.gz TYTOBFRZFZAAHR-LBPRGKRZSA-N -1 3 378.416 3.261 10 0 GGAEHM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000642193283 567470453 /nfs/dbraw/zinc/47/04/53/567470453.db2.gz NXCYFENQMJFMSO-UHFFFAOYSA-N -1 3 390.336 3.482 10 0 GGAEHM COc1cccc(C(=O)NCc2cc(Br)c(OC)c(OC)c2)c1[O-] ZINC000436965350 567470602 /nfs/dbraw/zinc/47/06/02/567470602.db2.gz RPBACUNBODXYRZ-UHFFFAOYSA-N -1 3 396.237 3.111 10 0 GGAEHM O=C(N[C@@H]1CCc2cc(Br)ccc21)c1cc(F)cc2nn[n-]c21 ZINC000503171296 567471130 /nfs/dbraw/zinc/47/11/30/567471130.db2.gz YEYATPVOIHDCND-CYBMUJFWSA-N -1 3 375.201 3.277 10 0 GGAEHM O=C(N[C@@H]1CCc2cc(Br)ccc21)c1cc(F)cc2[n-]nnc21 ZINC000503171296 567471133 /nfs/dbraw/zinc/47/11/33/567471133.db2.gz YEYATPVOIHDCND-CYBMUJFWSA-N -1 3 375.201 3.277 10 0 GGAEHM O=C(N[C@@H]1CCc2cc(Br)ccc21)c1cc(F)cc2n[n-]nc21 ZINC000503171296 567471137 /nfs/dbraw/zinc/47/11/37/567471137.db2.gz YEYATPVOIHDCND-CYBMUJFWSA-N -1 3 375.201 3.277 10 0 GGAEHM COC(=O)c1sc2[n-]c(Cc3ccccc3Br)nc(=O)c2c1C ZINC000478641512 567472851 /nfs/dbraw/zinc/47/28/51/567472851.db2.gz 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ZINC000645460763 567627560 /nfs/dbraw/zinc/62/75/60/567627560.db2.gz VWXOJINBRRVLPZ-UHFFFAOYSA-N -1 3 375.519 3.264 10 0 GGAEHM O=C(Cn1cc(NCc2cccc([O-])c2Br)cn1)NC1CCCC1 ZINC000459468125 567628063 /nfs/dbraw/zinc/62/80/63/567628063.db2.gz QVARVVVTBPCFHC-UHFFFAOYSA-N -1 3 393.285 3.022 10 0 GGAEHM Cc1cccc2cc(S(=O)(=O)[N-]C3CCN(C(=O)C(C)C)CC3)sc21 ZINC000645460620 567628392 /nfs/dbraw/zinc/62/83/92/567628392.db2.gz SYCDXFYRTOFYOJ-UHFFFAOYSA-N -1 3 380.535 3.135 10 0 GGAEHM CCOc1cc(CN2CCC(O)(C(F)F)CC2)cc(Br)c1[O-] ZINC000459482101 567628846 /nfs/dbraw/zinc/62/88/46/567628846.db2.gz ABPWPOQPRQIMER-UHFFFAOYSA-N -1 3 380.229 3.145 10 0 GGAEHM O=S(=O)([N-]CCOc1ccc(F)cc1F)c1ccccc1C(F)(F)F ZINC000530904497 567629921 /nfs/dbraw/zinc/62/99/21/567629921.db2.gz AHSLNWXLBTWPOI-UHFFFAOYSA-N -1 3 381.322 3.341 10 0 GGAEHM Cc1cc(Br)cc(Cl)c1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000480791573 567630657 /nfs/dbraw/zinc/63/06/57/567630657.db2.gz MNGZJAQRYCLEIB-UHFFFAOYSA-N -1 3 382.645 3.105 10 0 GGAEHM [O-]c1cccc(CNC[C@@H](CO)Cc2ccc(F)c(F)c2)c1Br ZINC000459509058 567633006 /nfs/dbraw/zinc/63/30/06/567633006.db2.gz BGCSYBZNQDYNQM-LBPRGKRZSA-N -1 3 386.236 3.374 10 0 GGAEHM Cc1c(S(=O)(=O)[N-]C(C)(C)c2ccc(Cl)cc2)coc1C(=O)N(C)C ZINC000645515033 567634826 /nfs/dbraw/zinc/63/48/26/567634826.db2.gz AYCFNGOELHNNCU-UHFFFAOYSA-N -1 3 384.885 3.157 10 0 GGAEHM Cc1cccc2cc(S(=O)(=O)[N-][C@@H]3CCN(CC(F)(F)F)C3)sc21 ZINC000645505520 567635007 /nfs/dbraw/zinc/63/50/07/567635007.db2.gz WLYKCUVVRPIQJN-GFCCVEGCSA-N -1 3 378.441 3.125 10 0 GGAEHM Cc1cccc2cc(S(=O)(=O)[N-]C[C@@H]3CCN(CC(F)(F)F)C3)sc21 ZINC000645512546 567635613 /nfs/dbraw/zinc/63/56/13/567635613.db2.gz OTTJYIMOLNKJMP-LBPRGKRZSA-N -1 3 392.468 3.372 10 0 GGAEHM CCOc1cc(CN2CCCC[C@@H]2CCS(C)(=O)=O)cc(Cl)c1[O-] ZINC000459561741 567637424 /nfs/dbraw/zinc/63/74/24/567637424.db2.gz RZYYESDQOLEYOV-CQSZACIVSA-N -1 3 375.918 3.234 10 0 GGAEHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CCCCC1 ZINC000480867111 567637986 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CS(=O)(=O)[N-]c1cc(NC(=O)C[C@]23CCCC[C@H]2C3(F)F)ccc1F ZINC000665874416 567643015 /nfs/dbraw/zinc/64/30/15/567643015.db2.gz GRUJGLHBBUYVSQ-UKRRQHHQSA-N -1 3 376.400 3.351 10 0 GGAEHM O=C(c1sccc1S(=O)(=O)[N-]Cc1cccs1)N1CC(CC2CC2)C1 ZINC000622250549 567646597 /nfs/dbraw/zinc/64/65/97/567646597.db2.gz OEVLKSKGBWRSJF-UHFFFAOYSA-N -1 3 396.559 3.160 10 0 GGAEHM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)Cc2ccc(Br)cc2[O-])[nH]1 ZINC000506863204 567646953 /nfs/dbraw/zinc/64/69/53/567646953.db2.gz VSPZDCHYQLFQKX-NXEZZACHSA-N -1 3 381.274 3.206 10 0 GGAEHM Cc1cccc2cc(S(=O)(=O)[N-]Cc3cn(C)nc3C(F)(F)F)sc21 ZINC000645617386 567648499 /nfs/dbraw/zinc/64/84/99/567648499.db2.gz VCVOEOFKLJBSOT-UHFFFAOYSA-N -1 3 389.424 3.441 10 0 GGAEHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC3(CF)CCOCC3)s2)cs1 ZINC000572573695 567649206 /nfs/dbraw/zinc/64/92/06/567649206.db2.gz FGHZAXADGVIPSD-UHFFFAOYSA-N -1 3 390.527 3.225 10 0 GGAEHM C[C@@H]([N-]S(C)(=O)=O)c1nc(-c2cc(Br)c3ccccc3c2)no1 ZINC000645636362 567650153 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-1 3 380.286 3.454 10 0 GGAEHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)c1 ZINC000534637268 567815433 /nfs/dbraw/zinc/81/54/33/567815433.db2.gz FSUXLZYLYLGSTL-MRXNPFEDSA-N -1 3 397.294 3.282 10 0 GGAEHM COc1ccccc1[C@H]1CC(c2ccccc2[O-])=NC2(CCN(C(C)=O)CC2)N1 ZINC000048990360 570256886 /nfs/dbraw/zinc/25/68/86/570256886.db2.gz BOHJEAJEYWPFIZ-HXUWFJFHSA-N -1 3 393.487 3.263 10 0 biogenic GGAEHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)Cn2c3ccccc3c3c2CCCC3)N1 ZINC000000730707 570310754 /nfs/dbraw/zinc/31/07/54/570310754.db2.gz LDHVKSHHAVOJLT-GOSISDBHSA-N -1 3 379.382 3.379 10 0 GGAEHM CCOC(=O)[C@]([N-]c1ccc(F)cc1)(NC(=O)Cc1ccccc1)C(F)(F)F ZINC000003103376 570328610 /nfs/dbraw/zinc/32/86/10/570328610.db2.gz LAODLSDGRJOUSC-SFHVURJKSA-N -1 3 398.356 3.418 10 0 GGAEHM CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000035378114 570364525 /nfs/dbraw/zinc/36/45/25/570364525.db2.gz HLKVSPHQINYMKV-UHFFFAOYSA-N -1 3 383.473 3.417 10 0 GGAEHM CCCC(=O)Nc1ccc2nc(N3CCN(CCC)CC3)cc(C(=O)[O-])c2c1 ZINC000033010330 570399093 /nfs/dbraw/zinc/39/90/93/570399093.db2.gz SYPCYCWABFTVJW-UHFFFAOYSA-N -1 3 384.480 3.204 10 0 GGAEHM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000238066707 570422897 /nfs/dbraw/zinc/42/28/97/570422897.db2.gz YHSXUBIRYXUJAN-OAQYLSRUSA-N -1 3 392.499 3.296 10 0 GGAEHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 ZINC000005136049 570424311 /nfs/dbraw/zinc/42/43/11/570424311.db2.gz ZBMHSYGKRRSHMV-UHFFFAOYSA-N -1 3 394.518 3.034 10 0 GGAEHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005136037 570424412 /nfs/dbraw/zinc/42/44/12/570424412.db2.gz CVRSWZDEISFQCW-UHFFFAOYSA-N -1 3 394.518 3.034 10 0 GGAEHM CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2)c([O-])c1 ZINC000124834873 570443907 /nfs/dbraw/zinc/44/39/07/570443907.db2.gz IXCZFSJTSDMLRG-UHFFFAOYSA-N -1 3 387.342 3.285 10 0 GGAEHM CC(C)CN1Cc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2OCC1=O ZINC000035887153 570471826 /nfs/dbraw/zinc/47/18/26/570471826.db2.gz HLLPULUAZFUALP-UHFFFAOYSA-N -1 3 392.452 3.004 10 0 GGAEHM CCOc1cc(C(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)ccc1[O-] ZINC000006610878 570504259 /nfs/dbraw/zinc/50/42/59/570504259.db2.gz DFQYQAMVDOYWGV-HNNXBMFYSA-N -1 3 399.443 3.174 10 0 GGAEHM CCOC(=O)c1sc2[n-]c([C@H](C)NCc3ccccc3F)nc(=O)c2c1C ZINC000006653354 570520710 /nfs/dbraw/zinc/52/07/10/570520710.db2.gz LIRGPAHCUGZWFN-NSHDSACASA-N -1 3 389.452 3.460 10 0 GGAEHM Cc1cccc(NCC[N-]S(=O)(=O)c2csc(-c3ccc(F)cc3)n2)n1 ZINC000072307472 570525376 /nfs/dbraw/zinc/52/53/76/570525376.db2.gz SIUPWTIBESPMOF-UHFFFAOYSA-N -1 3 392.481 3.043 10 0 GGAEHM Cc1cccn2c(=O)c(C(=O)NC(c3ccccc3)c3ccccc3)c([O-])nc12 ZINC000009830127 570561585 /nfs/dbraw/zinc/56/15/85/570561585.db2.gz OZKURKFVVMBGNX-UHFFFAOYSA-N -1 3 385.423 3.228 10 0 GGAEHM CCN1CCN(Cc2nc(=O)c3c(-c4ccc(C)c(C)c4)csc3[n-]2)CC1 ZINC000036203706 570568336 /nfs/dbraw/zinc/56/83/36/570568336.db2.gz QQSVPCRTRBHJCS-UHFFFAOYSA-N -1 3 382.533 3.406 10 0 GGAEHM O=S(=O)([N-]CCn1c2ccccc2nc1-c1ccncc1)c1cccs1 ZINC000064888110 570578384 /nfs/dbraw/zinc/57/83/84/570578384.db2.gz BNHYCHLHIBUVGW-UHFFFAOYSA-N -1 3 384.486 3.138 10 0 GGAEHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1cccc(F)c1 ZINC000225517804 570582836 /nfs/dbraw/zinc/58/28/36/570582836.db2.gz DJROUKNOGCRIHZ-SFHVURJKSA-N -1 3 389.452 3.285 10 0 GGAEHM Cc1ccc(C(=O)N2CCC(CC[N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000065007314 570645787 /nfs/dbraw/zinc/64/57/87/570645787.db2.gz ZMQRCTFGWCNBMI-UHFFFAOYSA-N -1 3 392.546 3.277 10 0 GGAEHM CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)ccc21 ZINC000065020760 570647620 /nfs/dbraw/zinc/64/76/20/570647620.db2.gz FZFWXEVIZFCRND-UHFFFAOYSA-N -1 3 380.416 3.410 10 0 GGAEHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)c2cc(C)cc(C)c2)s1 ZINC000241124146 570686109 /nfs/dbraw/zinc/68/61/09/570686109.db2.gz JFYQGVYHSCRRCO-AWEZNQCLSA-N -1 3 396.534 3.303 10 0 GGAEHM Cc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)Nc2ccccc2)n1 ZINC000006915677 570706093 /nfs/dbraw/zinc/70/60/93/570706093.db2.gz SAJYFVYGZYEJLZ-UHFFFAOYSA-N -1 3 391.456 3.124 10 0 GGAEHM CC(C)COc1ccc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000058184533 570717395 /nfs/dbraw/zinc/71/73/95/570717395.db2.gz CAYWZTXGYZOGIL-UHFFFAOYSA-N -1 3 376.478 3.023 10 0 GGAEHM CC(C)Cn1cc(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)c2cccnc21 ZINC000065163354 570717663 /nfs/dbraw/zinc/71/76/63/570717663.db2.gz ZSNLCZSTKRRRSY-UHFFFAOYSA-N -1 3 393.459 3.492 10 0 GGAEHM CC(C)Cn1cc(CC[N-]S(=O)(=O)c2ccccc2F)c2cccnc21 ZINC000065163345 570717687 /nfs/dbraw/zinc/71/76/87/570717687.db2.gz OUDDQPXELOYFBH-UHFFFAOYSA-N -1 3 375.469 3.352 10 0 GGAEHM CCCn1cc(CC[N-]S(=O)(=O)c2ccc(F)cc2F)c2cccnc21 ZINC000065163272 570717790 /nfs/dbraw/zinc/71/77/90/570717790.db2.gz ZVEOCDGOUJKVRW-UHFFFAOYSA-N -1 3 379.432 3.246 10 0 GGAEHM Cc1cc(C)cc(N2CC[C@H]([N-]S(=O)(=O)Cc3ccccc3Cl)C2=O)c1 ZINC000065229320 570740234 /nfs/dbraw/zinc/74/02/34/570740234.db2.gz OUFOPLRSKCSWOI-SFHVURJKSA-N -1 3 392.908 3.182 10 0 GGAEHM Cc1cc(N2CC[C@H]([N-]S(=O)(=O)Cc3cccc(Cl)c3)C2=O)ccc1F ZINC000065229346 570740310 /nfs/dbraw/zinc/74/03/10/570740310.db2.gz BXGTZWIDXCQMKV-KRWDZBQOSA-N -1 3 396.871 3.012 10 0 GGAEHM COc1ccccc1[N-]C(=O)c1nc(-c2cn(-c3ccc(Cl)cc3)nn2)no1 ZINC000065236743 570743538 /nfs/dbraw/zinc/74/35/38/570743538.db2.gz WJSJCRUCSOJXLE-UHFFFAOYSA-N -1 3 396.794 3.232 10 0 GGAEHM COc1cccc([N-]C(=O)c2nc(-c3cn(-c4ccc(Cl)cc4)nn3)no2)c1 ZINC000065236744 570743577 /nfs/dbraw/zinc/74/35/77/570743577.db2.gz DCCLTOCMCUTWBQ-UHFFFAOYSA-N -1 3 396.794 3.232 10 0 GGAEHM CCCN1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2C(=O)[O-])CC1 ZINC000033078608 570804967 /nfs/dbraw/zinc/80/49/67/570804967.db2.gz FJGVVGSKCDZILV-UHFFFAOYSA-N -1 3 381.476 3.478 10 0 GGAEHM Cc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n2ncnc2n1 ZINC000032784310 570809096 /nfs/dbraw/zinc/80/90/96/570809096.db2.gz YGOPMMNMZGKHAX-UHFFFAOYSA-N -1 3 398.423 3.116 10 0 GGAEHM CCOC(=O)[C@H](CC)Sc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[n-]1 ZINC000006002906 570812984 /nfs/dbraw/zinc/81/29/84/570812984.db2.gz HSBDNXZKDNPFNU-HNNXBMFYSA-N -1 3 386.477 3.159 10 0 GGAEHM CC(C)c1ccc(C(=O)N2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c([O-])c1 ZINC000052774761 570815395 /nfs/dbraw/zinc/81/53/95/570815395.db2.gz QCOAUUJTMXUUKY-HZPDHXFCSA-N -1 3 388.508 3.004 10 0 GGAEHM Cc1c([O-])ccc2c(CN[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc(=O)oc12 ZINC000032797382 570819826 /nfs/dbraw/zinc/81/98/26/570819826.db2.gz UWMWVSJNOAYXAD-CYBMUJFWSA-N -1 3 387.457 3.061 10 0 GGAEHM Cc1ccccc1NCc1cc(=O)n2nc(NCc3ccc(F)cc3)[n-]c2n1 ZINC000101796581 570834476 /nfs/dbraw/zinc/83/44/76/570834476.db2.gz NECJYIPKBKFYAW-UHFFFAOYSA-N -1 3 378.411 3.089 10 0 GGAEHM CCOc1ccc(NC(=O)Cn2nc3c4cc(F)ccc4[n-]cc-3c2=O)cc1 ZINC000101800950 570834729 /nfs/dbraw/zinc/83/47/29/570834729.db2.gz GGEVBHVOTQUHLC-UHFFFAOYSA-N -1 3 380.379 3.006 10 0 GGAEHM O=C([N-]c1nnc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)o1)c1ccccc1F ZINC000033169869 570838758 /nfs/dbraw/zinc/83/87/58/570838758.db2.gz NRVIDHYPIXIRQQ-LLVKDONJSA-N -1 3 384.342 3.121 10 0 GGAEHM O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000065617506 570842945 /nfs/dbraw/zinc/84/29/45/570842945.db2.gz JPCMCJIMDVVYEO-UHFFFAOYSA-N -1 3 386.473 3.063 10 0 GGAEHM O=C(NCc1ccc(CN2CCCC2=O)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000065618799 570843124 /nfs/dbraw/zinc/84/31/24/570843124.db2.gz CIEKFEXTAWJOLF-UHFFFAOYSA-N -1 3 378.472 3.323 10 0 GGAEHM COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000007458097 570845651 /nfs/dbraw/zinc/84/56/51/570845651.db2.gz RVXRBDJYVBDLAQ-UHFFFAOYSA-N -1 3 385.807 3.161 10 0 GGAEHM O=C(c1ccc(Cl)s1)N1CCc2c(=O)[n-]c(-c3ccc(F)cc3)nc2C1 ZINC000097097590 570892336 /nfs/dbraw/zinc/89/23/36/570892336.db2.gz PXJLOZNNINFLHT-UHFFFAOYSA-N -1 3 389.839 3.489 10 0 GGAEHM O=C(c1cc(-c2ccccc2)n[nH]1)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1 ZINC000097112219 570896842 /nfs/dbraw/zinc/89/68/42/570896842.db2.gz FLEZGSVVYUCBJP-UHFFFAOYSA-N -1 3 397.438 3.026 10 0 GGAEHM O=C(C=Cc1ccccc1)N1CCc2nc(Cc3cccc(F)c3)[n-]c(=O)c2C1 ZINC000004586787 570921867 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COCCC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000312863865 565583461 /nfs/dbraw/zinc/58/34/61/565583461.db2.gz NNUXSLXXHDOEHT-UHFFFAOYSA-N -1 3 384.723 3.444 10 0 GGAEHM CC(C)(C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(F)(F)F ZINC000556928577 566345944 /nfs/dbraw/zinc/34/59/44/566345944.db2.gz GPXNLKXWUXEYEN-UHFFFAOYSA-N -1 3 378.185 3.455 10 0 GGAEHM COCCC1(C(=O)Nc2cc(I)ccc2[O-])CCC1 ZINC000610765723 566861292 /nfs/dbraw/zinc/86/12/92/566861292.db2.gz CQCYTCNGPCGSKT-UHFFFAOYSA-N -1 3 375.206 3.142 10 0 GGAEHM O=C([N-]N1C(=O)/C(=C\c2ccccc2Cl)SC1=S)c1cccnc1 ZINC000001107739 564183520 /nfs/dbraw/zinc/18/35/20/564183520.db2.gz QVSSKCNZNMAARB-MDWZMJQESA-N -1 3 375.862 3.281 10 0 GGAEHM CCOc1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000002465040 564187694 /nfs/dbraw/zinc/18/76/94/564187694.db2.gz LLZYTBQIROJUHN-MRXNPFEDSA-N -1 3 382.507 3.088 10 0 GGAEHM O=S(=O)([N-]Cc1cnn(-c2ccccc2)c1)c1ccc(Br)s1 ZINC000115493184 564194639 /nfs/dbraw/zinc/19/46/39/564194639.db2.gz XHZKNYQVKVPDPK-UHFFFAOYSA-N 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/nfs/dbraw/zinc/22/51/74/564225174.db2.gz OEJKXTOMVLKUKQ-UHFFFAOYSA-N -1 3 390.881 3.298 10 0 GGAEHM CCc1nnc([N-]C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)s1 ZINC000006808429 564228131 /nfs/dbraw/zinc/22/81/31/564228131.db2.gz WLVXFSRQLFROIU-UHFFFAOYSA-N -1 3 391.499 3.369 10 0 GGAEHM CC(=O)N1CCOc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc21 ZINC000006832936 564228273 /nfs/dbraw/zinc/22/82/73/564228273.db2.gz LDAXQKFZHAEFRT-UHFFFAOYSA-N -1 3 380.853 3.195 10 0 GGAEHM CC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)c1cccs1 ZINC000006873999 564229128 /nfs/dbraw/zinc/22/91/28/564229128.db2.gz FGMJJBNJFNFOEE-SNVBAGLBSA-N -1 3 386.882 3.162 10 0 GGAEHM C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000007123496 564232584 /nfs/dbraw/zinc/23/25/84/564232584.db2.gz VVPGIQGIEZNYAK-LBPRGKRZSA-N -1 3 378.881 3.272 10 0 GGAEHM CCOC([O-])=NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC000007130241 564232783 /nfs/dbraw/zinc/23/27/83/564232783.db2.gz ASZKKUUZZHAYDQ-SECBINFHSA-N -1 3 381.479 3.288 10 0 GGAEHM CCOC(=O)[N-]C(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC000007130241 564232789 /nfs/dbraw/zinc/23/27/89/564232789.db2.gz ASZKKUUZZHAYDQ-SECBINFHSA-N -1 3 381.479 3.288 10 0 GGAEHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(=O)n(C)c2)c(Cl)c1Cl ZINC000118953718 564248070 /nfs/dbraw/zinc/24/80/70/564248070.db2.gz LCSXBAORJGCYEB-UHFFFAOYSA-N -1 3 397.667 3.155 10 0 GGAEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1)c1c(C)noc1C ZINC000119262454 564263210 /nfs/dbraw/zinc/26/32/10/564263210.db2.gz BWXDLOZGCZNLCR-CQSZACIVSA-N -1 3 386.857 3.161 10 0 GGAEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl)c1c(C)noc1C ZINC000119300190 564263682 /nfs/dbraw/zinc/26/36/82/564263682.db2.gz LCWNITGABPCWDZ-ZDUSSCGKSA-N -1 3 386.857 3.161 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(Br)cc2Cl)n[n-]1 ZINC000119315270 564265139 /nfs/dbraw/zinc/26/51/39/564265139.db2.gz CWHLTKXZMYKOGD-UHFFFAOYSA-N -1 3 380.633 3.478 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(Br)cc2Cl)[n-]n1 ZINC000119315270 564265143 /nfs/dbraw/zinc/26/51/43/564265143.db2.gz CWHLTKXZMYKOGD-UHFFFAOYSA-N -1 3 380.633 3.478 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)C2(c3cccc(Br)c3)CC2)n[n-]1 ZINC000119324809 564266344 /nfs/dbraw/zinc/26/63/44/564266344.db2.gz HJUXWLQYODVANP-UHFFFAOYSA-N -1 3 386.253 3.243 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)C2(c3cccc(Br)c3)CC2)[n-]n1 ZINC000119324809 564266346 /nfs/dbraw/zinc/26/63/46/564266346.db2.gz HJUXWLQYODVANP-UHFFFAOYSA-N -1 3 386.253 3.243 10 0 GGAEHM O=C(NCCSc1ccc(Br)cc1)c1ccc2n[n-]nc2c1 ZINC000012548028 564268218 /nfs/dbraw/zinc/26/82/18/564268218.db2.gz QSPNAPUZUDWADL-UHFFFAOYSA-N -1 3 377.267 3.243 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)c2cc(Br)ccc2Cl)n[n-]1 ZINC000119426195 564270253 /nfs/dbraw/zinc/27/02/53/564270253.db2.gz XLEHSOJYNUIBOU-UHFFFAOYSA-N -1 3 380.633 3.478 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)c2cc(Br)ccc2Cl)[n-]n1 ZINC000119426195 564270257 /nfs/dbraw/zinc/27/02/57/564270257.db2.gz XLEHSOJYNUIBOU-UHFFFAOYSA-N -1 3 380.633 3.478 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)C(C)(C)c2ccc(Br)cc2)n[n-]1 ZINC000119433560 564271074 /nfs/dbraw/zinc/27/10/74/564271074.db2.gz UENPMYXNQGDOLV-UHFFFAOYSA-N -1 3 388.269 3.489 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)C(C)(C)c2ccc(Br)cc2)[n-]n1 ZINC000119433560 564271076 /nfs/dbraw/zinc/27/10/76/564271076.db2.gz UENPMYXNQGDOLV-UHFFFAOYSA-N -1 3 388.269 3.489 10 0 GGAEHM O=C(NCCCC1CC1)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000119477399 564273594 /nfs/dbraw/zinc/27/35/94/564273594.db2.gz UBRYDPMGMKYMSV-UHFFFAOYSA-N -1 3 384.548 3.208 10 0 GGAEHM CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)cc1 ZINC000119515484 564275099 /nfs/dbraw/zinc/27/50/99/564275099.db2.gz OVPLRDWWQCOGNL-UHFFFAOYSA-N -1 3 384.860 3.267 10 0 GGAEHM COCc1ccc(C(=O)[N-]c2ncn(Cc3cccc(Br)c3)n2)o1 ZINC000119755086 564286977 /nfs/dbraw/zinc/28/69/77/564286977.db2.gz ZZUZFVQMNVUYDB-UHFFFAOYSA-N -1 3 391.225 3.081 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)n[n-]1 ZINC000119778531 564288152 /nfs/dbraw/zinc/28/81/52/564288152.db2.gz ZMGCECPQSZTDOO-UHFFFAOYSA-N -1 3 399.252 3.235 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)Cc2c[nH]c3cc(Br)ccc23)[n-]n1 ZINC000119778531 564288156 /nfs/dbraw/zinc/28/81/56/564288156.db2.gz ZMGCECPQSZTDOO-UHFFFAOYSA-N -1 3 399.252 3.235 10 0 GGAEHM CN(Cc1cc([O-])ccc1Br)C[C@H]1CCCN1c1cccnn1 ZINC000120400394 564319090 /nfs/dbraw/zinc/31/90/90/564319090.db2.gz RKAOLDLPIDBGOA-CQSZACIVSA-N -1 3 377.286 3.046 10 0 GGAEHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000023763979 564327722 /nfs/dbraw/zinc/32/77/22/564327722.db2.gz DPEQBZUUTJIFKC-SNVBAGLBSA-N -1 3 386.880 3.325 10 0 GGAEHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000121071452 564351420 /nfs/dbraw/zinc/35/14/20/564351420.db2.gz LFFOVJLDXVIYAW-AWEZNQCLSA-N -1 3 382.295 3.054 10 0 GGAEHM COc1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2F)cc1OC(F)F ZINC000030369744 564379962 /nfs/dbraw/zinc/37/99/62/564379962.db2.gz DNTSJNAFCIZYEU-UHFFFAOYSA-N -1 3 379.331 3.053 10 0 GGAEHM Cc1cnn(Cc2cc(C(=O)[N-]c3cc(Br)ccc3F)no2)c1 ZINC000121667684 564380905 /nfs/dbraw/zinc/38/09/05/564380905.db2.gz RFCBZVGZGUZBGQ-UHFFFAOYSA-N -1 3 379.189 3.382 10 0 GGAEHM CC(C)c1ccc([C@@H](C)NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000031249201 564388421 /nfs/dbraw/zinc/38/84/21/564388421.db2.gz OOZSZWYQUSZPLJ-CQSZACIVSA-N -1 3 380.535 3.417 10 0 GGAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)s1 ZINC000032548828 564402285 /nfs/dbraw/zinc/40/22/85/564402285.db2.gz JLDQXANVHQCUHC-UHFFFAOYSA-N -1 3 393.317 3.170 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cscc1C ZINC000122645526 564421879 /nfs/dbraw/zinc/42/18/79/564421879.db2.gz WQGZPDKLPLLVBC-UHFFFAOYSA-N -1 3 376.297 3.306 10 0 GGAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(Cl)cc1Cl ZINC000123211805 564442297 /nfs/dbraw/zinc/44/22/97/564442297.db2.gz JHECHJQUHBPOPD-VIFPVBQESA-N -1 3 391.251 3.438 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)CCc2cc(Br)ccc2F)n[n-]1 ZINC000123297369 564444089 /nfs/dbraw/zinc/44/40/89/564444089.db2.gz COQHBHRMUGGTQK-UHFFFAOYSA-N -1 3 392.232 3.283 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)CCc2cc(Br)ccc2F)[n-]n1 ZINC000123297369 564444092 /nfs/dbraw/zinc/44/40/92/564444092.db2.gz COQHBHRMUGGTQK-UHFFFAOYSA-N -1 3 392.232 3.283 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccsc1 ZINC000042373879 564445901 /nfs/dbraw/zinc/44/59/01/564445901.db2.gz HBRJESUMRFQOJN-UHFFFAOYSA-N -1 3 376.297 3.040 10 0 GGAEHM CC[S@@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)C1 ZINC000123362020 564446214 /nfs/dbraw/zinc/44/62/14/564446214.db2.gz KWENBGMDLOPLFL-IBILFNBTSA-N -1 3 381.922 3.146 10 0 GGAEHM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1cccc(Cl)c1 ZINC000042994482 564452014 /nfs/dbraw/zinc/45/20/14/564452014.db2.gz SDTPHLQJXKPMLA-AWEZNQCLSA-N -1 3 387.910 3.173 10 0 GGAEHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000045076425 564478100 /nfs/dbraw/zinc/47/81/00/564478100.db2.gz NHUQKBSFQHZERL-GFCCVEGCSA-N -1 3 386.926 3.290 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]Cc2cn(C)nc2C(F)(F)F)c(Cl)cc1F ZINC000124824384 564494091 /nfs/dbraw/zinc/49/40/91/564494091.db2.gz QACLOFCCYCTOSI-UHFFFAOYSA-N -1 3 385.770 3.018 10 0 GGAEHM CCc1ccc2nc(NC(=O)[C@H](C)[N-]S(=O)(=O)c3cccs3)sc2c1 ZINC000125166099 564505756 /nfs/dbraw/zinc/50/57/56/564505756.db2.gz MWLFTYJEEIEWHE-JTQLQIEISA-N -1 3 395.531 3.226 10 0 GGAEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000125211500 564506441 /nfs/dbraw/zinc/50/64/41/564506441.db2.gz XHYCENHTTYIIIT-NSHDSACASA-N -1 3 397.852 3.323 10 0 GGAEHM CNC(=O)Cc1nc(CSc2nnc([N-]c3ccccc3F)s2)cs1 ZINC000481239082 564506591 /nfs/dbraw/zinc/50/65/91/564506591.db2.gz DQVRJJKDJPLAJM-UHFFFAOYSA-N -1 3 395.510 3.458 10 0 GGAEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000125237628 564508258 /nfs/dbraw/zinc/50/82/58/564508258.db2.gz JQLKAAXHLGZVPA-ZDUSSCGKSA-N -1 3 395.424 3.108 10 0 GGAEHM O=C(NCc1cscn1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000125309612 564509987 /nfs/dbraw/zinc/50/99/87/564509987.db2.gz VSWLTUNRCJBQBR-UHFFFAOYSA-N -1 3 399.563 3.136 10 0 GGAEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cccc(C)c1Br ZINC000125296673 564510000 /nfs/dbraw/zinc/51/00/00/564510000.db2.gz VNVBPBXGYBUKRM-LLVKDONJSA-N -1 3 390.324 3.139 10 0 GGAEHM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)sc1C ZINC000125316971 564510240 /nfs/dbraw/zinc/51/02/40/564510240.db2.gz NVYNWLMYEADEGE-SECBINFHSA-N -1 3 396.353 3.201 10 0 GGAEHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2)cc1Cl ZINC000125491985 564516727 /nfs/dbraw/zinc/51/67/27/564516727.db2.gz HODCKGNTQKHNEL-GFCCVEGCSA-N -1 3 390.288 3.056 10 0 GGAEHM O=C(Nc1ccc(Br)cc1[O-])C1CCN(C(=O)c2ccoc2)CC1 ZINC000126025771 564533679 /nfs/dbraw/zinc/53/36/79/564533679.db2.gz JTMFMQSXQMNFKP-UHFFFAOYSA-N -1 3 393.237 3.239 10 0 GGAEHM Cc1cc(C)n(C[C@@H](C)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000048355931 564537573 /nfs/dbraw/zinc/53/75/73/564537573.db2.gz NJPJLKMYMIGHEV-JTQLQIEISA-N -1 3 376.309 3.421 10 0 GGAEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)Cc2cccc(Br)c2)c1 ZINC000126304388 564545073 /nfs/dbraw/zinc/54/50/73/564545073.db2.gz BKSZXQSSSGERSY-NSHDSACASA-N -1 3 391.265 3.474 10 0 GGAEHM C[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@H]1n1ccnc1 ZINC000126330830 564545625 /nfs/dbraw/zinc/54/56/25/564545625.db2.gz BIEXWTBLMQMXAB-IUODEOHRSA-N -1 3 393.285 3.144 10 0 GGAEHM O=C([N-]c1nnc(C(F)F)s1)c1c(F)cccc1I ZINC000127444674 564584760 /nfs/dbraw/zinc/58/47/60/564584760.db2.gz OCVWQWYEADWGGY-UHFFFAOYSA-N -1 3 399.135 3.472 10 0 GGAEHM O=S(=O)([N-]CCC[C@H]1CCCC[C@H]1O)c1ccc(F)cc1C(F)(F)F ZINC000127814370 564596873 /nfs/dbraw/zinc/59/68/73/564596873.db2.gz LCUVKVIBCOQLNG-BXUZGUMPSA-N -1 3 383.407 3.454 10 0 GGAEHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@H]1O)c1ccc(Br)s1 ZINC000127840609 564597918 /nfs/dbraw/zinc/59/79/18/564597918.db2.gz HGPHTSLMBLPYHC-WDEREUQCSA-N -1 3 382.345 3.120 10 0 GGAEHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@@H]1O)c1ccc(Br)s1 ZINC000127840115 564598090 /nfs/dbraw/zinc/59/80/90/564598090.db2.gz HGPHTSLMBLPYHC-QWRGUYRKSA-N -1 3 382.345 3.120 10 0 GGAEHM O=S(=O)([N-][C@H]1CCN(c2ncccc2Cl)C1)c1cccc2c1N=S=N2 ZINC000128050397 564605960 /nfs/dbraw/zinc/60/59/60/564605960.db2.gz JSYVSYABSSDYLQ-JTQLQIEISA-N -1 3 395.897 3.019 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1nnc2n1CCCCC2 ZINC000054979657 564613213 /nfs/dbraw/zinc/61/32/13/564613213.db2.gz WUPUJKLUZZCPDT-SNVBAGLBSA-N -1 3 389.308 3.351 10 0 GGAEHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(Br)cc2)c1 ZINC000055106228 564614928 /nfs/dbraw/zinc/61/49/28/564614928.db2.gz AAEKUCCULBFIIO-UHFFFAOYSA-N -1 3 377.238 3.385 10 0 GGAEHM O=S(=O)([N-]Cc1ccccn1)c1ccc(Br)cc1C(F)(F)F ZINC000055216430 564616528 /nfs/dbraw/zinc/61/65/28/564616528.db2.gz YNKXUFCNDHPMRO-UHFFFAOYSA-N -1 3 395.200 3.341 10 0 GGAEHM O=S(=O)([N-]Cc1cccnc1)c1ccc(Br)cc1C(F)(F)F ZINC000055943009 564635276 /nfs/dbraw/zinc/63/52/76/564635276.db2.gz KNTFPACSBZOLJU-UHFFFAOYSA-N -1 3 395.200 3.341 10 0 GGAEHM O=S(=O)([N-]Cc1cnn(Cc2ccccc2)c1)c1ccc(Cl)cc1F ZINC000056064497 564639637 /nfs/dbraw/zinc/63/96/37/564639637.db2.gz CQGPPERJQMGKSS-UHFFFAOYSA-N -1 3 379.844 3.202 10 0 GGAEHM O=C(Nc1cccc([O-])c1F)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000129154537 564639842 /nfs/dbraw/zinc/63/98/42/564639842.db2.gz HIDUPCNZRNZZDU-UHFFFAOYSA-N -1 3 377.169 3.388 10 0 GGAEHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1OC ZINC000056093519 564640433 /nfs/dbraw/zinc/64/04/33/564640433.db2.gz LNPAPQRJVAFPGB-SECBINFHSA-N -1 3 375.368 3.161 10 0 GGAEHM Cc1ccc([C@@H]2CCCCN2C(=O)CC[N-]S(=O)(=O)c2cccs2)o1 ZINC000129192415 564640983 /nfs/dbraw/zinc/64/09/83/564640983.db2.gz KDPPERCGHHBJEQ-AWEZNQCLSA-N -1 3 382.507 3.072 10 0 GGAEHM CC(C)c1ccc([C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000056130315 564642820 /nfs/dbraw/zinc/64/28/20/564642820.db2.gz QMZVBIALGPNWLO-KBPBESRZSA-N -1 3 380.535 3.416 10 0 GGAEHM O=C(NCc1cc(F)cc(Br)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000056132910 564642834 /nfs/dbraw/zinc/64/28/34/564642834.db2.gz RPWFXZOTRUWMLP-UHFFFAOYSA-N -1 3 375.197 3.360 10 0 GGAEHM CC(C)c1ccc([C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000056130314 564643083 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C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000141772025 564874369 /nfs/dbraw/zinc/87/43/69/564874369.db2.gz OPXGMNCCDQPDJL-RYUDHWBXSA-N -1 3 386.926 3.288 10 0 GGAEHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1c[nH]c2ccc(F)cc12 ZINC000145623931 564879456 /nfs/dbraw/zinc/87/94/56/564879456.db2.gz XEASSORYXOIQEJ-UHFFFAOYSA-N -1 3 382.844 3.490 10 0 GGAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)s1 ZINC000093907687 564892554 /nfs/dbraw/zinc/89/25/54/564892554.db2.gz MJIRSYDWXZMSPZ-HUUCEWRRSA-N -1 3 386.583 3.310 10 0 GGAEHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)cc1Br ZINC000093909425 564892622 /nfs/dbraw/zinc/89/26/22/564892622.db2.gz JGNQXWDAEOYPMV-UHFFFAOYSA-N -1 3 396.266 3.443 10 0 GGAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C)s1 ZINC000093906365 564892736 /nfs/dbraw/zinc/89/27/36/564892736.db2.gz MZKMMOQFZGFYEM-GOEBONIOSA-N -1 3 386.583 3.310 10 0 GGAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)C2)s1 ZINC000093907688 564892938 /nfs/dbraw/zinc/89/29/38/564892938.db2.gz MJIRSYDWXZMSPZ-LSDHHAIUSA-N -1 3 386.583 3.310 10 0 GGAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC2(C)CCCC2)s1 ZINC000093912660 564893190 /nfs/dbraw/zinc/89/31/90/564893190.db2.gz LOZOILDXIPJFRS-UHFFFAOYSA-N -1 3 386.583 3.312 10 0 GGAEHM O=S(=O)([N-][C@H]1CCCCC[C@@H]1CO)c1ccc(Br)cc1Cl ZINC000095443865 564899229 /nfs/dbraw/zinc/89/92/29/564899229.db2.gz MQAVVLDEORHBER-MFKMUULPSA-N -1 3 396.734 3.322 10 0 GGAEHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)c1nccs1 ZINC000096743321 564902891 /nfs/dbraw/zinc/90/28/91/564902891.db2.gz IICVCFXRGMLQKU-SNVBAGLBSA-N -1 3 391.312 3.344 10 0 GGAEHM COc1ncccc1C[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000151049851 564903333 /nfs/dbraw/zinc/90/33/33/564903333.db2.gz DFDADPGNKRWFED-UHFFFAOYSA-N -1 3 380.775 3.241 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000097987244 564911464 /nfs/dbraw/zinc/91/14/64/564911464.db2.gz HTQNEOWYGLFHGU-UHFFFAOYSA-N -1 3 376.194 3.079 10 0 GGAEHM O=C(NCCC[C@H]1CCCC[C@H]1O)NCc1ccc([O-])c(Br)c1 ZINC000151257625 564911894 /nfs/dbraw/zinc/91/18/94/564911894.db2.gz BHOXYTWDVDRGIO-UKRRQHHQSA-N -1 3 385.302 3.285 10 0 GGAEHM COCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000101577407 564918612 /nfs/dbraw/zinc/91/86/12/564918612.db2.gz IRQIOQHWPFGPOA-MRVPVSSYSA-N -1 3 390.221 3.171 10 0 GGAEHM COc1cccc(C(=O)N2CCO[C@H](c3ccccc3Br)C2)c1[O-] ZINC000101673725 564920289 /nfs/dbraw/zinc/92/02/89/564920289.db2.gz MCTFZWZAVVFRGA-INIZCTEOSA-N -1 3 392.249 3.377 10 0 GGAEHM COc1cccc(N2CC[C@H](C[N-]S(=O)(=O)c3ccc(Cl)s3)C2)c1 ZINC000102414567 564929509 /nfs/dbraw/zinc/92/95/09/564929509.db2.gz OUYOBYXJWZFMBH-GFCCVEGCSA-N -1 3 386.926 3.215 10 0 GGAEHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000151659962 564931684 /nfs/dbraw/zinc/93/16/84/564931684.db2.gz QOJOBYCQHCELRA-VXGBXAGGSA-N -1 3 379.400 3.181 10 0 GGAEHM CC(=O)N(C)c1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151712235 564933727 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Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000190529345 565540396 /nfs/dbraw/zinc/54/03/96/565540396.db2.gz KCTGINHWMIZFPO-ZDUSSCGKSA-N -1 3 379.913 3.405 10 0 GGAEHM Cc1cnccc1C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000383226577 565542818 /nfs/dbraw/zinc/54/28/18/565542818.db2.gz PNUXHGZIRCJAEF-UHFFFAOYSA-N -1 3 375.675 3.284 10 0 GGAEHM O=S(=O)([N-]CCCOCC1CC1)c1c(Cl)cccc1Br ZINC000383229798 565542966 /nfs/dbraw/zinc/54/29/66/565542966.db2.gz BFVUDLNFZXBIRK-UHFFFAOYSA-N -1 3 382.707 3.198 10 0 GGAEHM O=S(=O)([N-][C@@H]1CCc2ccccc2C1)c1ccc(F)cc1Br ZINC000386132741 565546979 /nfs/dbraw/zinc/54/69/79/565546979.db2.gz VSDGSYUYXJERCY-CQSZACIVSA-N -1 3 384.270 3.424 10 0 GGAEHM Cc1cnn(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)c1 ZINC000190672594 565550317 /nfs/dbraw/zinc/55/03/17/565550317.db2.gz OSIIUVBQJIRCPH-UHFFFAOYSA-N -1 3 383.901 3.002 10 0 GGAEHM O=S(=O)([N-]CCc1cscn1)c1c(Cl)cccc1Br ZINC000388265144 565550473 /nfs/dbraw/zinc/55/04/73/565550473.db2.gz BWTYDHIZLPCDTL-UHFFFAOYSA-N -1 3 381.704 3.080 10 0 GGAEHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@H]1CCCOC1 ZINC000389116561 565552994 /nfs/dbraw/zinc/55/29/94/565552994.db2.gz HWWXLMYAAPJUNF-UWVGGRQHSA-N -1 3 382.707 3.196 10 0 GGAEHM O=S(=O)([N-]CCNc1ncc(C(F)(F)F)s1)c1ccc(Cl)s1 ZINC000302743560 565553960 /nfs/dbraw/zinc/55/39/60/565553960.db2.gz DWDLGWDNIRRXBZ-UHFFFAOYSA-N -1 3 391.849 3.267 10 0 GGAEHM COCCOC(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000278398112 565555314 /nfs/dbraw/zinc/55/53/14/565555314.db2.gz TXUAAWSZKQLDGI-UHFFFAOYSA-N -1 3 380.447 3.080 10 0 GGAEHM O=S(=O)([N-]CCCCOCc1ccccc1)c1cncc(Br)c1 ZINC000390791469 565557376 /nfs/dbraw/zinc/55/73/76/565557376.db2.gz GBVKQIYWINHUHL-UHFFFAOYSA-N -1 3 399.310 3.119 10 0 GGAEHM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000173477689 565559950 /nfs/dbraw/zinc/55/99/50/565559950.db2.gz LKFUCPYZQMHBGD-VIFPVBQESA-N -1 3 376.309 3.253 10 0 GGAEHM COc1cc(Br)c(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc1OC ZINC000390991815 565560255 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Cc1cccc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1[O-] ZINC000303456885 565570158 /nfs/dbraw/zinc/57/01/58/565570158.db2.gz GIXKINPCFHBVGI-CYBMUJFWSA-N -1 3 375.266 3.472 10 0 GGAEHM Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)c1[O-] ZINC000303456886 565570173 /nfs/dbraw/zinc/57/01/73/565570173.db2.gz GIXKINPCFHBVGI-ZDUSSCGKSA-N -1 3 375.266 3.472 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F ZINC000396879589 565574928 /nfs/dbraw/zinc/57/49/28/565574928.db2.gz BEEOUFHYULRMTK-QMMMGPOBSA-N -1 3 390.221 3.325 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F ZINC000396879588 565575332 /nfs/dbraw/zinc/57/53/32/565575332.db2.gz BEEOUFHYULRMTK-MRVPVSSYSA-N -1 3 390.221 3.325 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCSCC(C)C ZINC000397338065 565575319 /nfs/dbraw/zinc/57/53/19/565575319.db2.gz ZYTMPPJMIXVJPM-UHFFFAOYSA-N -1 3 382.345 3.125 10 0 GGAEHM O=S(=O)([N-]CCCOC(F)F)c1c(Cl)cccc1Br ZINC000398148942 565576370 /nfs/dbraw/zinc/57/63/70/565576370.db2.gz ZYKVXQHKUSIGHF-UHFFFAOYSA-N -1 3 378.622 3.010 10 0 GGAEHM Cc1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)n1 ZINC000312439363 565582314 /nfs/dbraw/zinc/58/23/14/565582314.db2.gz AVKDYHKJECJGRX-UHFFFAOYSA-N -1 3 375.675 3.284 10 0 GGAEHM CCN(CC)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000312928887 565582926 /nfs/dbraw/zinc/58/29/26/565582926.db2.gz XRCRUSYHNRVKFB-SNVBAGLBSA-N -1 3 383.739 3.111 10 0 GGAEHM CCN(CC)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000312928884 565583388 /nfs/dbraw/zinc/58/33/88/565583388.db2.gz XRCRUSYHNRVKFB-JTQLQIEISA-N -1 3 383.739 3.111 10 0 GGAEHM CN(CC[N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CCCC1 ZINC000314328322 565585514 /nfs/dbraw/zinc/58/55/14/565585514.db2.gz CVVHOAZESPEKBD-UHFFFAOYSA-N -1 3 395.750 3.255 10 0 GGAEHM COC(=O)CCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000313987839 565585580 /nfs/dbraw/zinc/58/55/80/565585580.db2.gz HPIXQEHWFCDKBF-UHFFFAOYSA-N -1 3 398.706 3.114 10 0 GGAEHM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)CN1CCCC1 ZINC000314115512 565585718 /nfs/dbraw/zinc/58/57/18/565585718.db2.gz 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CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000485707493 566519452 /nfs/dbraw/zinc/51/94/52/566519452.db2.gz FPFUWMAUAPJYFI-UHFFFAOYSA-N -1 3 383.882 3.352 10 0 GGAEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000512284075 566522713 /nfs/dbraw/zinc/52/27/13/566522713.db2.gz BGPSDVPKTUFQDO-LSDHHAIUSA-N -1 3 383.249 3.398 10 0 GGAEHM CC(C)(C)c1cc(Br)cc(NC(=O)c2cn3c(n2)COCC3)c1[O-] ZINC000628014465 566523437 /nfs/dbraw/zinc/52/34/37/566523437.db2.gz SIDPMRVDNNSGAP-UHFFFAOYSA-N -1 3 394.269 3.431 10 0 GGAEHM C[C@H](C(=O)Nc1cc(Br)cc(C(C)(C)C)c1[O-])[C@H]1CCC(=O)N1 ZINC000628014410 566523606 /nfs/dbraw/zinc/52/36/06/566523606.db2.gz RJPQFXHVDBTTLQ-JOYOIKCWSA-N -1 3 383.286 3.305 10 0 GGAEHM CCOCC(C)(C)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000559106981 566526840 /nfs/dbraw/zinc/52/68/40/566526840.db2.gz RCRXJPSHLYYWEJ-UHFFFAOYSA-N -1 3 387.299 3.091 10 0 GGAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cc1N(C)C ZINC000559139522 566528352 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CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000519764206 566965489 /nfs/dbraw/zinc/96/54/89/566965489.db2.gz YBRNMEBYOIVGAS-AXFHLTTASA-N -1 3 376.400 3.452 10 0 GGAEHM Cc1ccc(NC(=O)C[N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F)c(Cl)c1 ZINC000656887437 566966005 /nfs/dbraw/zinc/96/60/05/566966005.db2.gz HZDWGYYFKUXEAF-JTQLQIEISA-N -1 3 386.823 3.095 10 0 GGAEHM CCc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ncccc1Br ZINC000656892420 566967167 /nfs/dbraw/zinc/96/71/67/566967167.db2.gz OFCAKZYUKCZBAI-CQSZACIVSA-N -1 3 397.294 3.209 10 0 GGAEHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cscn1 ZINC000656889252 566967350 /nfs/dbraw/zinc/96/73/50/566967350.db2.gz KLGLEPVJOYTQSA-UHFFFAOYSA-N -1 3 391.312 3.173 10 0 GGAEHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)cc1OC ZINC000471709879 566972889 /nfs/dbraw/zinc/97/28/89/566972889.db2.gz VEQMRIYUTGLEGY-UHFFFAOYSA-N -1 3 387.860 3.326 10 0 GGAEHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656921469 566974855 /nfs/dbraw/zinc/97/48/55/566974855.db2.gz BQPXAANLIHAVTR-SNVBAGLBSA-N -1 3 384.723 3.180 10 0 GGAEHM COC(=O)c1ccc(CC[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)cc1 ZINC000471792824 566977679 /nfs/dbraw/zinc/97/76/79/566977679.db2.gz KXLZJWRUDVIJKI-UHFFFAOYSA-N -1 3 385.844 3.095 10 0 GGAEHM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1ccc(Br)cc1Br ZINC000430032984 566978098 /nfs/dbraw/zinc/97/80/98/566978098.db2.gz IQLJZBDZKAPUIU-GXSJLCMTSA-N -1 3 395.116 3.288 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)C1CCOCC1 ZINC000656934707 566978232 /nfs/dbraw/zinc/97/82/32/566978232.db2.gz JRBMOZAIIUSTQA-SECBINFHSA-N -1 3 382.707 3.196 10 0 GGAEHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)C1CCOCC1 ZINC000656934708 566978244 /nfs/dbraw/zinc/97/82/44/566978244.db2.gz JRBMOZAIIUSTQA-VIFPVBQESA-N -1 3 382.707 3.196 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccsc2)N(C)C)c(Cl)cc1F ZINC000471798683 566978437 /nfs/dbraw/zinc/97/84/37/566978437.db2.gz MJJAMXORQYRIPM-AWEZNQCLSA-N -1 3 376.906 3.430 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F)c1noc(-c2ccccc2)n1 ZINC000656936287 566978510 /nfs/dbraw/zinc/97/85/10/566978510.db2.gz YDTZFMXWBBDKBM-WDEREUQCSA-N -1 3 377.388 3.306 10 0 GGAEHM COCCC1(C[N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000656938932 566979668 /nfs/dbraw/zinc/97/96/68/566979668.db2.gz NMXCANLLXUYERK-UHFFFAOYSA-N -1 3 382.707 3.198 10 0 GGAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1CCc2cc(Cl)ccc21 ZINC000583745292 566980133 /nfs/dbraw/zinc/98/01/33/566980133.db2.gz MJAUZIGNLRGSDA-CQSZACIVSA-N -1 3 383.853 3.302 10 0 GGAEHM O=C(Nc1cc(I)ccc1[O-])c1cccc2nccnc21 ZINC000612556353 566982181 /nfs/dbraw/zinc/98/21/81/566982181.db2.gz MCEXOOGQCXSNJL-UHFFFAOYSA-N -1 3 391.168 3.192 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Br)c1)[C@H]1CCCOC1 ZINC000656954508 566982570 /nfs/dbraw/zinc/98/25/70/566982570.db2.gz ATFYMXFESSTKLN-ZJUUUORDSA-N -1 3 382.707 3.196 10 0 GGAEHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)o2)cc1F ZINC000544712980 566984572 /nfs/dbraw/zinc/98/45/72/566984572.db2.gz CFUYFICDXYLRSF-MRVPVSSYSA-N -1 3 378.219 3.229 10 0 GGAEHM O=C(NCCCc1ccc(Br)cc1F)NCc1ncccc1[O-] ZINC000471905257 566985397 /nfs/dbraw/zinc/98/53/97/566985397.db2.gz AOGURUDWVLUMFM-UHFFFAOYSA-N -1 3 382.233 3.121 10 0 GGAEHM COC1(C(=O)NCc2ccc([O-])c(Br)c2)CCC(F)(F)CC1 ZINC000612643877 566985685 /nfs/dbraw/zinc/98/56/85/566985685.db2.gz VCBKFUDUTGSLIF-UHFFFAOYSA-N -1 3 378.213 3.365 10 0 GGAEHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1COC[C@H]1c1ccccc1 ZINC000612642882 566986046 /nfs/dbraw/zinc/98/60/46/566986046.db2.gz JAXFPKCBYHVTFR-GJZGRUSLSA-N -1 3 376.250 3.201 10 0 GGAEHM CSc1nnc(C[N-]S(=O)(=O)c2cc(-c3nc(C)co3)ccc2C)s1 ZINC000656968170 566986197 /nfs/dbraw/zinc/98/61/97/566986197.db2.gz PRHHEMZSUHXXBC-UHFFFAOYSA-N -1 3 396.519 3.010 10 0 GGAEHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F)no1 ZINC000656962894 566986221 /nfs/dbraw/zinc/98/62/21/566986221.db2.gz QBSUOMNQYLULIF-JTQLQIEISA-N -1 3 377.388 3.053 10 0 GGAEHM CCN1CCN(c2cccc([N-]S(=O)(=O)c3cc(C)sc3C)c2)CC1 ZINC000471925712 566986888 /nfs/dbraw/zinc/98/68/88/566986888.db2.gz VIKUBKPENKFIEH-UHFFFAOYSA-N -1 3 379.551 3.308 10 0 GGAEHM O=S(=O)([N-]CCC[C@H]1CCOC1)c1cc(Cl)cc(Br)c1 ZINC000657006239 566996218 /nfs/dbraw/zinc/99/62/18/566996218.db2.gz NVAUQFFHVFFAQH-JTQLQIEISA-N -1 3 382.707 3.198 10 0 GGAEHM CC(C)C(=O)c1ccc([C@H](C)C(=O)N=c2[n-]n(C)cc2Br)cc1 ZINC000564571109 566988515 /nfs/dbraw/zinc/98/85/15/566988515.db2.gz JPPDCZTWCMZKJY-NSHDSACASA-N -1 3 378.270 3.185 10 0 GGAEHM CCCSc1nc(=NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)s[n-]1 ZINC000471944074 566989152 /nfs/dbraw/zinc/98/91/52/566989152.db2.gz PYBREBMLNAYZBP-KGLIPLIRSA-N -1 3 377.539 3.029 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCc3cc(N)ccc32)c(F)cc1Br ZINC000564587528 566991262 /nfs/dbraw/zinc/99/12/62/566991262.db2.gz ZJHFFGCKTHTFAG-HNNXBMFYSA-N -1 3 399.285 3.445 10 0 GGAEHM O=S(=O)([N-]CCCc1nccs1)c1cc(Cl)cc(Br)c1 ZINC000656990428 566992644 /nfs/dbraw/zinc/99/26/44/566992644.db2.gz GMARNPQWHRONTR-UHFFFAOYSA-N -1 3 395.731 3.470 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000452587319 566993549 /nfs/dbraw/zinc/99/35/49/566993549.db2.gz LVDADVUATUMNNZ-ARFHVFGLSA-N -1 3 382.298 3.239 10 0 GGAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(F)c(Br)cc1Cl ZINC000583906795 566994822 /nfs/dbraw/zinc/99/48/22/566994822.db2.gz KGHOQBXNEXQHFX-GFCCVEGCSA-N -1 3 388.624 3.490 10 0 GGAEHM Cc1nc(C2CC2)oc1C(=O)Nc1cc(I)ccc1[O-] ZINC000612753602 566995141 /nfs/dbraw/zinc/99/51/41/566995141.db2.gz FZAPZSORCVMQHU-UHFFFAOYSA-N -1 3 384.173 3.423 10 0 GGAEHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@H](C)CC(F)F ZINC000657017167 566998862 /nfs/dbraw/zinc/99/88/62/566998862.db2.gz INWWEOLONWCUED-SSDOTTSWSA-N -1 3 390.221 3.166 10 0 GGAEHM COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H](C)CC(F)F ZINC000657017174 566998970 /nfs/dbraw/zinc/99/89/70/566998970.db2.gz INWWEOLONWCUED-ZETCQYMHSA-N -1 3 390.221 3.166 10 0 GGAEHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000472095409 567000166 /nfs/dbraw/zinc/00/01/66/567000166.db2.gz PIIBYRJBPRSBRS-UHFFFAOYSA-N -1 3 384.860 3.267 10 0 GGAEHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCC(C)(C)O1 ZINC000681693801 567001355 /nfs/dbraw/zinc/00/13/55/567001355.db2.gz DHYRBNWIFUCWQB-GFCCVEGCSA-N -1 3 392.315 3.084 10 0 GGAEHM C[C@@H](O)[C@H]([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)c1ccccc1F ZINC000657021401 567001742 /nfs/dbraw/zinc/00/17/42/567001742.db2.gz VPASPKNRVZRMGN-HWPZZCPQSA-N -1 3 375.824 3.160 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)c1nc(C(F)(F)F)cs1 ZINC000564715281 567002571 /nfs/dbraw/zinc/00/25/71/567002571.db2.gz FFZLTBOPTIFJEC-RKDXNWHRSA-N -1 3 394.444 3.295 10 0 GGAEHM C[C@H]1CCCCCN1C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472144190 567003163 /nfs/dbraw/zinc/00/31/63/567003163.db2.gz NLYRQXDFZUXJAB-NSHDSACASA-N -1 3 378.416 3.482 10 0 GGAEHM COC1CC(CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000657035162 567003246 /nfs/dbraw/zinc/00/32/46/567003246.db2.gz OPJXSEAMQFIVSP-UHFFFAOYSA-N -1 3 382.707 3.196 10 0 GGAEHM CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000657033475 567003488 /nfs/dbraw/zinc/00/34/88/567003488.db2.gz DPZVLCBFBBABCI-SNVBAGLBSA-N -1 3 395.750 3.254 10 0 GGAEHM CCOc1cc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)cc(Br)c1[O-] ZINC000584028844 567004385 /nfs/dbraw/zinc/00/43/85/567004385.db2.gz HKASYFGNRIWCIY-XEZPLFJOSA-N -1 3 398.297 3.327 10 0 GGAEHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H]3CCN3C(C)(C)C)s2)cs1 ZINC000657035547 567004861 /nfs/dbraw/zinc/00/48/61/567004861.db2.gz UYYWVUMRGFIMHM-GFCCVEGCSA-N -1 3 385.580 3.331 10 0 GGAEHM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)c1ccccn1 ZINC000657037993 567005159 /nfs/dbraw/zinc/00/51/59/567005159.db2.gz AJPCXBWVMNZWCP-JTQLQIEISA-N -1 3 376.812 3.418 10 0 GGAEHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)c1ccccn1 ZINC000657037994 567005501 /nfs/dbraw/zinc/00/55/01/567005501.db2.gz AJPCXBWVMNZWCP-SNVBAGLBSA-N -1 3 376.812 3.418 10 0 GGAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CCCCC3)cc1F ZINC000657040369 567005642 /nfs/dbraw/zinc/00/56/42/567005642.db2.gz NZESOEQWVUHGDK-MRXNPFEDSA-N -1 3 389.514 3.011 10 0 GGAEHM COC1CC(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000657035844 567005716 /nfs/dbraw/zinc/00/57/16/567005716.db2.gz WHPBHRQPXMNICD-UHFFFAOYSA-N -1 3 382.707 3.196 10 0 GGAEHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c2ncnn21 ZINC000657065251 567008464 /nfs/dbraw/zinc/00/84/64/567008464.db2.gz CACPTQBGMTVZPK-LDWIPMOCSA-N -1 3 381.672 3.223 10 0 GGAEHM O=C(NCc1ncccc1[O-])N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000472196047 567008402 /nfs/dbraw/zinc/00/84/02/567008402.db2.gz WQWGULVWVAOANT-LBPRGKRZSA-N -1 3 381.263 3.172 10 0 GGAEHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c2ncnn21 ZINC000657065254 567008895 /nfs/dbraw/zinc/00/88/95/567008895.db2.gz CACPTQBGMTVZPK-WKEGUHRASA-N -1 3 381.672 3.223 10 0 GGAEHM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000657062726 567008952 /nfs/dbraw/zinc/00/89/52/567008952.db2.gz SEUXJFCNEJZDJZ-SNVBAGLBSA-N -1 3 395.750 3.254 10 0 GGAEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c2ncnn21 ZINC000657065252 567009441 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ZINC000497093639 567084686 /nfs/dbraw/zinc/08/46/86/567084686.db2.gz BQPHFWOOXMRGHL-OCCSQVGLSA-N -1 3 398.937 3.084 10 0 GGAEHM COC(=O)c1cc(I)cc(NCc2nc(C)ccc2[O-])c1 ZINC000497177419 567084929 /nfs/dbraw/zinc/08/49/29/567084929.db2.gz DFEAIJLRCTYFBV-UHFFFAOYSA-N -1 3 398.200 3.099 10 0 GGAEHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2)s1 ZINC000682937026 567085829 /nfs/dbraw/zinc/08/58/29/567085829.db2.gz ZULKEYLUDMHGDJ-LBPRGKRZSA-N -1 3 378.519 3.301 10 0 GGAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2)s1 ZINC000682937023 567086258 /nfs/dbraw/zinc/08/62/58/567086258.db2.gz ZULKEYLUDMHGDJ-GFCCVEGCSA-N -1 3 378.519 3.301 10 0 GGAEHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000545920978 567088551 /nfs/dbraw/zinc/08/85/51/567088551.db2.gz SJLQIXFIYLLLTH-HNNXBMFYSA-N -1 3 379.844 3.281 10 0 GGAEHM O=C(NCc1ncccc1[O-])c1cc(Br)cc(Br)c1 ZINC000473626269 567093115 /nfs/dbraw/zinc/09/31/15/567093115.db2.gz AIGNBCJLTYZCQS-UHFFFAOYSA-N -1 3 386.043 3.242 10 0 GGAEHM CCc1cc(C(=O)N=c2[n-]n(C)cc2Br)c2c(C(C)C)noc2n1 ZINC000565717317 567093538 /nfs/dbraw/zinc/09/35/38/567093538.db2.gz HNSCTEFQNAPQTM-UHFFFAOYSA-N -1 3 392.257 3.079 10 0 GGAEHM O=C(CCc1nc2cc(Br)ccc2s1)NCc1ncccc1[O-] ZINC000473643376 567094941 /nfs/dbraw/zinc/09/49/41/567094941.db2.gz ZMYYIJCDMFAAIQ-UHFFFAOYSA-N -1 3 392.278 3.408 10 0 GGAEHM O=C(NCc1ncccc1[O-])c1cc(Br)ccc1Br ZINC000473639487 567095432 /nfs/dbraw/zinc/09/54/32/567095432.db2.gz DFJJAPHMJQOURH-UHFFFAOYSA-N -1 3 386.043 3.242 10 0 GGAEHM C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NCc1ncccc1[O-] ZINC000473642277 567095637 /nfs/dbraw/zinc/09/56/37/567095637.db2.gz KXBKYYDYVKBWKT-VIFPVBQESA-N -1 3 385.645 3.287 10 0 GGAEHM CCN1CCc2nc(NC(=O)Cc3ccc(Br)cc3[O-])sc2C1 ZINC000431662813 567099840 /nfs/dbraw/zinc/09/98/40/567099840.db2.gz FUHUVCKNEDEKDV-UHFFFAOYSA-N -1 3 396.310 3.170 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCc1cnn(-c2ccccc2)c1 ZINC000431734585 567103675 /nfs/dbraw/zinc/10/36/75/567103675.db2.gz WWJQUHFDDZWMTH-UHFFFAOYSA-N -1 3 386.249 3.199 10 0 GGAEHM Cc1ccsc1-c1nc(=NC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)s[n-]1 ZINC000473827420 567104691 /nfs/dbraw/zinc/10/46/91/567104691.db2.gz HUJPUPYGHVBRMJ-WCQYABFASA-N -1 3 379.555 3.239 10 0 GGAEHM Cc1ccsc1-c1nc(=NC(=O)NCCN2[C@H](C)CCC[C@H]2C)s[n-]1 ZINC000473819123 567105042 /nfs/dbraw/zinc/10/50/42/567105042.db2.gz MYANGDLUVZEPOV-CHWSQXEVSA-N -1 3 379.555 3.381 10 0 GGAEHM Cc1ccsc1-c1nc(=NC(=O)NC[C@H](C)N2CCCC[C@@H]2C)s[n-]1 ZINC000473825573 567105113 /nfs/dbraw/zinc/10/51/13/567105113.db2.gz CIPDWVVEAZATKT-STQMWFEESA-N -1 3 379.555 3.381 10 0 GGAEHM Cc1ccsc1-c1nc(=NC(=O)NCC(C)(C)N2CCCCC2)s[n-]1 ZINC000473816294 567105426 /nfs/dbraw/zinc/10/54/26/567105426.db2.gz GUUTTXWFXAULHA-UHFFFAOYSA-N -1 3 379.555 3.383 10 0 GGAEHM O=C(CCc1cc(Br)ccc1F)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473847989 567106124 /nfs/dbraw/zinc/10/61/24/567106124.db2.gz FCIQQRSFNJMCPI-CQSZACIVSA-N -1 3 382.233 3.156 10 0 GGAEHM O=C(CCCc1ccc(Br)s1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473847331 567106323 /nfs/dbraw/zinc/10/63/23/567106323.db2.gz MSDNVWBNGSMYDD-LBPRGKRZSA-N -1 3 384.299 3.469 10 0 GGAEHM O=C(CCc1cc(F)ccc1Br)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473850203 567107210 /nfs/dbraw/zinc/10/72/10/567107210.db2.gz NENLZJRXHWPQPJ-CQSZACIVSA-N -1 3 382.233 3.156 10 0 GGAEHM Cc1ccsc1-c1nc(=NC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)s[n-]1 ZINC000473845455 567107232 /nfs/dbraw/zinc/10/72/32/567107232.db2.gz WWHMEXJEQYQAEW-DGCLKSJQSA-N -1 3 379.555 3.239 10 0 GGAEHM Cc1ccc(CCC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(Br)c1 ZINC000473857207 567108604 /nfs/dbraw/zinc/10/86/04/567108604.db2.gz NJBGUMCNANVVER-OAHLLOKOSA-N -1 3 378.270 3.325 10 0 GGAEHM CCc1cc(NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])n[nH]1 ZINC000683262253 567109143 /nfs/dbraw/zinc/10/91/43/567109143.db2.gz PIVKGRRZUWWIFF-UHFFFAOYSA-N -1 3 395.644 3.482 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000431797564 567109223 /nfs/dbraw/zinc/10/92/23/567109223.db2.gz XCCLUXHDMMFETD-KRWDZBQOSA-N -1 3 394.240 3.436 10 0 GGAEHM COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C1 ZINC000473863012 567109566 /nfs/dbraw/zinc/10/95/66/567109566.db2.gz NNRBSXMEVRXIGA-LBPRGKRZSA-N -1 3 386.926 3.276 10 0 GGAEHM COCCOc1cccc(CNC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000431835456 567111114 /nfs/dbraw/zinc/11/11/14/567111114.db2.gz VLCAFFCSOHWRQS-UHFFFAOYSA-N -1 3 394.265 3.039 10 0 GGAEHM CCc1nc(C(=O)[N-]c2n[nH]c(-c3ccc(Br)cc3F)n2)c(C)o1 ZINC000497564740 567111482 /nfs/dbraw/zinc/11/14/82/567111482.db2.gz SPRKGJXLKZDXCM-UHFFFAOYSA-N -1 3 394.204 3.484 10 0 GGAEHM O=C(NCCCNC(=O)c1c(Cl)cc(F)cc1Cl)c1cccc([O-])c1 ZINC000431919510 567116842 /nfs/dbraw/zinc/11/68/42/567116842.db2.gz AKKATLFKWMCKSX-UHFFFAOYSA-N -1 3 385.222 3.388 10 0 GGAEHM COc1ccc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)c(Br)c1[O-] ZINC000546256384 567117848 /nfs/dbraw/zinc/11/78/48/567117848.db2.gz AMGVZPCDBUWUAF-GFCCVEGCSA-N -1 3 386.286 3.327 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCCN(c2ccccc2)CC1 ZINC000432024164 567124003 /nfs/dbraw/zinc/12/40/03/567124003.db2.gz DMGDZLQLGLTAHP-UHFFFAOYSA-N -1 3 389.293 3.436 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](SC)C2)c(Cl)c1 ZINC000522716561 567127164 /nfs/dbraw/zinc/12/71/64/567127164.db2.gz JPDXXQWPXDVRTP-NWDGAFQWSA-N -1 3 377.915 3.079 10 0 GGAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CC2(C1)CC(F)(F)C2 ZINC000683497487 567129246 /nfs/dbraw/zinc/12/92/46/567129246.db2.gz PDBSKEAWNOQZMC-UHFFFAOYSA-N -1 3 383.192 3.162 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c(C)c1 ZINC000432060312 567129522 /nfs/dbraw/zinc/12/95/22/567129522.db2.gz JDELIPKQIOCYLP-UHFFFAOYSA-N -1 3 381.837 3.438 10 0 GGAEHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC000432083467 567130519 /nfs/dbraw/zinc/13/05/19/567130519.db2.gz ZTPKEPBRFKYSJQ-UHFFFAOYSA-N -1 3 381.837 3.438 10 0 GGAEHM CCn1cnc(S(=O)(=O)[N-]CC(C)(C)c2cccc(C(F)(F)F)c2)c1 ZINC000474078346 567130669 /nfs/dbraw/zinc/13/06/69/567130669.db2.gz BINOOXKSNJKKKG-UHFFFAOYSA-N -1 3 375.416 3.178 10 0 GGAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](c2ccc(Br)cc2)C2CCC2)c1 ZINC000474071323 567130916 /nfs/dbraw/zinc/13/09/16/567130916.db2.gz FWAVIQNSURFVSC-MRXNPFEDSA-N -1 3 398.326 3.485 10 0 GGAEHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)c1 ZINC000474086877 567131929 /nfs/dbraw/zinc/13/19/29/567131929.db2.gz HKMZRCLTLVLOTN-ZFWWWQNUSA-N -1 3 382.279 3.292 10 0 GGAEHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)c1 ZINC000474086875 567132058 /nfs/dbraw/zinc/13/20/58/567132058.db2.gz HKMZRCLTLVLOTN-HIFRSBDPSA-N -1 3 382.279 3.292 10 0 GGAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)c2sc(-c3ccccc3)nc2C)c1 ZINC000474094511 567132184 /nfs/dbraw/zinc/13/21/84/567132184.db2.gz JPTOLUXLKNBIKN-ZDUSSCGKSA-N -1 3 376.507 3.374 10 0 GGAEHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@@H]2CCO[C@H](C)C2)no1 ZINC000546512707 567133798 /nfs/dbraw/zinc/13/37/98/567133798.db2.gz SPONTIHCMIWWNM-GRYCIOLGSA-N -1 3 385.873 3.045 10 0 GGAEHM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000522946457 567138713 /nfs/dbraw/zinc/13/87/13/567138713.db2.gz FOLANAPDLZYJDT-ZDUSSCGKSA-N -1 3 380.897 3.415 10 0 GGAEHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CCc2cc(N)ccc21 ZINC000658393351 567139349 /nfs/dbraw/zinc/13/93/49/567139349.db2.gz AHPYXPKZBGOGLU-GFCCVEGCSA-N -1 3 387.324 3.367 10 0 GGAEHM O=S(=O)([N-][C@@H]1CNCC[C@@H]1c1ccccc1)c1c(Cl)ccc(F)c1F ZINC000658391454 567139871 /nfs/dbraw/zinc/13/98/71/567139871.db2.gz HUIFODNRKCHRHK-IUODEOHRSA-N -1 3 386.851 3.042 10 0 GGAEHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCCc3cn(C4CCCC4)nc32)s1 ZINC000546598587 567141805 /nfs/dbraw/zinc/14/18/05/567141805.db2.gz OZXNHTKMRLCGAX-CQSZACIVSA-N -1 3 380.539 3.373 10 0 GGAEHM CC1(C)CCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2ccco2)CC1 ZINC000588886131 567142759 /nfs/dbraw/zinc/14/27/59/567142759.db2.gz KTNXXYQAHDLTMW-UHFFFAOYSA-N -1 3 382.507 3.082 10 0 GGAEHM O=S(=O)([N-]CCc1cccc(C(F)(F)F)n1)c1ccc(F)cc1Cl ZINC000432271123 567143854 /nfs/dbraw/zinc/14/38/54/567143854.db2.gz OEFWDCFNFYCBTC-UHFFFAOYSA-N -1 3 382.766 3.414 10 0 GGAEHM Cc1ccc(C)c([C@H](C)N(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000523140655 567144373 /nfs/dbraw/zinc/14/43/73/567144373.db2.gz BBCJPROOFDSNOR-CABCVRRESA-N -1 3 380.535 3.251 10 0 GGAEHM Cc1ccc(C)c([C@@H](C)N(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000523140657 567145077 /nfs/dbraw/zinc/14/50/77/567145077.db2.gz BBCJPROOFDSNOR-HUUCEWRRSA-N -1 3 380.535 3.251 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]Cc2cc(Br)ccn2)c(Cl)cc1F ZINC000432292856 567145891 /nfs/dbraw/zinc/14/58/91/567145891.db2.gz ZXFNDFTXERVFRA-UHFFFAOYSA-N -1 3 393.665 3.424 10 0 GGAEHM O=S(=O)([N-]CCc1cccc(C(F)(F)F)n1)c1cc(F)cc(Cl)c1 ZINC000432295349 567145920 /nfs/dbraw/zinc/14/59/20/567145920.db2.gz WLEZSSXBUDPIFI-UHFFFAOYSA-N -1 3 382.766 3.414 10 0 GGAEHM O=S(=O)([N-]CCc1cc(F)ccc1F)c1ccc(F)cc1Br ZINC000474199922 567146163 /nfs/dbraw/zinc/14/61/63/567146163.db2.gz KGZFVWAUSIOEMH-UHFFFAOYSA-N -1 3 394.212 3.387 10 0 GGAEHM O=C(NCCCc1cc(=O)[nH][n-]1)c1ccc2scc(Br)c2c1 ZINC000614914808 567147200 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GGRLZRIBPBWDJB-CQSZACIVSA-N -1 3 399.310 3.152 10 0 GGAEHM Cc1cccc(S(=O)(=O)[N-]c2ccnc(C)c2Br)c1Cl ZINC000527112623 567315536 /nfs/dbraw/zinc/31/55/36/567315536.db2.gz YFJXDPJHUIYNKB-UHFFFAOYSA-N -1 3 375.675 3.337 10 0 GGAEHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000592117039 567316787 /nfs/dbraw/zinc/31/67/87/567316787.db2.gz QERPAAPNSFGGNT-WCQYABFASA-N -1 3 389.901 3.137 10 0 GGAEHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)c1cscn1 ZINC000568265432 567316964 /nfs/dbraw/zinc/31/69/64/567316964.db2.gz XJEYUVQGQOLLQY-SSDOTTSWSA-N -1 3 395.275 3.093 10 0 GGAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(Br)c(Cl)c1F ZINC000527208496 567320079 /nfs/dbraw/zinc/32/00/79/567320079.db2.gz MSJFZGKKPSNWEI-SNVBAGLBSA-N -1 3 388.624 3.490 10 0 GGAEHM COc1cc(=NC(=O)N(Cc2cccc(Br)c2)C(C)C)[n-]n1C ZINC000548494306 567320237 /nfs/dbraw/zinc/32/02/37/567320237.db2.gz WTIDSMIWOOKEOO-UHFFFAOYSA-N -1 3 381.274 3.056 10 0 GGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(Br)c(Cl)c1F ZINC000527208495 567320608 /nfs/dbraw/zinc/32/06/08/567320608.db2.gz MSJFZGKKPSNWEI-JTQLQIEISA-N -1 3 388.624 3.490 10 0 GGAEHM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1 ZINC000476427044 567323306 /nfs/dbraw/zinc/32/33/06/567323306.db2.gz BUUJXJPYESMTKK-UHFFFAOYSA-N -1 3 395.836 3.213 10 0 GGAEHM Cc1cc(=O)[n-]c(C(C)(C)NC[C@@H](O)COc2c(Cl)cccc2Cl)n1 ZINC000660744959 567324857 /nfs/dbraw/zinc/32/48/57/567324857.db2.gz ILQCEQNXUNKWTP-LLVKDONJSA-N -1 3 386.279 3.062 10 0 GGAEHM O=S(=O)(C[C@H]1CCCO1)[N-]c1ccc(C(F)(F)F)c(Br)c1 ZINC000527286003 567328294 /nfs/dbraw/zinc/32/82/94/567328294.db2.gz RBNRWIHYEFSURB-SECBINFHSA-N -1 3 388.205 3.389 10 0 GGAEHM O=C(Nc1cc(I)ccc1[O-])C1Cc2ccccc2C1 ZINC000617754715 567333610 /nfs/dbraw/zinc/33/36/10/567333610.db2.gz OSBDUSUFQKCJLT-UHFFFAOYSA-N -1 3 379.197 3.350 10 0 GGAEHM CCO[C@@H]1C[C@@H](NCc2ccc(OC)c([O-])c2Br)[C@@H]1SC ZINC000592376769 567333994 /nfs/dbraw/zinc/33/39/94/567333994.db2.gz GUPQBKOWKWUYSE-HCKVZZMMSA-N -1 3 376.316 3.162 10 0 GGAEHM O=S(=O)([N-][C@@H]1CCc2ccccc2C1)c1cc(Br)ccc1F ZINC000500632159 567334636 /nfs/dbraw/zinc/33/46/36/567334636.db2.gz JXQOUGFHHYABQP-CQSZACIVSA-N -1 3 384.270 3.424 10 0 GGAEHM Cc1ccc2c(c1)nc(CNC(=O)Cc1ccc(Br)cc1[O-])n2C ZINC000500620169 567334877 /nfs/dbraw/zinc/33/48/77/567334877.db2.gz WSQMAXMSWVHJJQ-UHFFFAOYSA-N -1 3 388.265 3.209 10 0 GGAEHM Cn1cc(Br)c(=NC(=O)[C@H]2CCc3cc(Br)ccc32)[n-]1 ZINC000568513656 567335182 /nfs/dbraw/zinc/33/51/82/567335182.db2.gz JRSLFNYOBMSUMI-NSHDSACASA-N -1 3 399.086 3.036 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CC[C@]2(C1)OCc1ccccc12 ZINC000500650533 567336098 /nfs/dbraw/zinc/33/60/98/567336098.db2.gz KQUMWVQSJVEHTQ-LJQANCHMSA-N -1 3 388.261 3.355 10 0 GGAEHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1cccs1 ZINC000568566401 567338906 /nfs/dbraw/zinc/33/89/06/567338906.db2.gz DOXACQFBIPGJJT-CYBMUJFWSA-N -1 3 394.440 3.200 10 0 GGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000527499482 567339415 /nfs/dbraw/zinc/33/94/15/567339415.db2.gz HADGVJGYGCOVSI-YDHLFZDLSA-N -1 3 376.254 3.188 10 0 GGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc2cc(Br)ccc2o1 ZINC000527499436 567339594 /nfs/dbraw/zinc/33/95/94/567339594.db2.gz CJYLFMIJABTMKD-ZDUSSCGKSA-N -1 3 376.210 3.444 10 0 GGAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(Cl)cc(Br)c1F ZINC000527500753 567339624 /nfs/dbraw/zinc/33/96/24/567339624.db2.gz RFKBTGIMNWSLOD-LLVKDONJSA-N -1 3 388.624 3.490 10 0 GGAEHM COC(=O)c1cnc([N-]S(=O)(=O)Cc2ccccc2Cl)c(Cl)c1 ZINC000568577599 567340166 /nfs/dbraw/zinc/34/01/66/567340166.db2.gz VPXMXSMRIONAPS-UHFFFAOYSA-N -1 3 375.233 3.117 10 0 GGAEHM CN(C)C(=O)c1cc(NC(=O)Cc2ccc(Br)cc2[O-])ccc1F ZINC000548732769 567344795 /nfs/dbraw/zinc/34/47/95/567344795.db2.gz HYJSPZWZTOAPLO-UHFFFAOYSA-N -1 3 395.228 3.177 10 0 GGAEHM COc1ccccc1CCN(C)C(=O)Cc1ccc(Br)cc1[O-] ZINC000548730691 567345075 /nfs/dbraw/zinc/34/50/75/567345075.db2.gz DXNKBEWWQSZZRG-UHFFFAOYSA-N -1 3 378.266 3.407 10 0 GGAEHM COc1ccc(Br)c(C[N-]S(=O)(=O)c2nc(C)c(C)s2)c1 ZINC000435205452 567346560 /nfs/dbraw/zinc/34/65/60/567346560.db2.gz BKBTZITYQSREIK-UHFFFAOYSA-N -1 3 391.312 3.010 10 0 GGAEHM C[C@@H]1COC2(CCC2)CN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000617945940 567346743 /nfs/dbraw/zinc/34/67/43/567346743.db2.gz ANHWGVMVRUONNG-LLVKDONJSA-N -1 3 391.265 3.074 10 0 GGAEHM C[C@@H]1COC2(CCC2)CN1C(=O)c1cnc2ccc(Br)cc2c1[O-] ZINC000617945940 567346751 /nfs/dbraw/zinc/34/67/51/567346751.db2.gz ANHWGVMVRUONNG-LLVKDONJSA-N -1 3 391.265 3.074 10 0 GGAEHM CCN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@H]1CCN(CC)C1 ZINC000617923698 567346952 /nfs/dbraw/zinc/34/69/52/567346952.db2.gz HUZXPAHASHGZRY-LBPRGKRZSA-N -1 3 392.297 3.259 10 0 GGAEHM C[C@H]1COC2(CCC2)CN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000617945941 567347027 /nfs/dbraw/zinc/34/70/27/567347027.db2.gz ANHWGVMVRUONNG-NSHDSACASA-N -1 3 391.265 3.074 10 0 GGAEHM C[C@H]1COC2(CCC2)CN1C(=O)c1cnc2ccc(Br)cc2c1[O-] ZINC000617945941 567347032 /nfs/dbraw/zinc/34/70/32/567347032.db2.gz ANHWGVMVRUONNG-NSHDSACASA-N -1 3 391.265 3.074 10 0 GGAEHM CCO[C@H]1C[C@H](NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000617955425 567348473 /nfs/dbraw/zinc/34/84/73/567348473.db2.gz WKYGGTJNRSAVRT-MGCOHNPYSA-N -1 3 399.672 3.241 10 0 GGAEHM CCO[C@H]1C[C@H](NC(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000617955425 567348478 /nfs/dbraw/zinc/34/84/78/567348478.db2.gz WKYGGTJNRSAVRT-MGCOHNPYSA-N -1 3 399.672 3.241 10 0 GGAEHM COC[C@H](NC(=O)Cc1ccc(Br)cc1[O-])c1cccc(OC)c1 ZINC000617967286 567349649 /nfs/dbraw/zinc/34/96/49/567349649.db2.gz AMWHMVRDMGUSCW-INIZCTEOSA-N -1 3 394.265 3.210 10 0 GGAEHM CC(C)[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)c1ccccc1F ZINC000617991777 567349706 /nfs/dbraw/zinc/34/97/06/567349706.db2.gz MMNFGMPKZKFLKI-LRDDRELGSA-N -1 3 384.498 3.068 10 0 GGAEHM COc1cc(Br)ccc1[C@@H](C)NC(=O)N=c1cc2ccccn2[n-]1 ZINC000548772208 567349936 /nfs/dbraw/zinc/34/99/36/567349936.db2.gz ISBYLVLLBSEJQJ-LLVKDONJSA-N -1 3 389.253 3.410 10 0 GGAEHM COC(=O)C[C@](C)(NC(=O)c1cccc([O-])c1)c1ccc(Br)cc1 ZINC000476822516 567350468 /nfs/dbraw/zinc/35/04/68/567350468.db2.gz FNKGSKPOSBGTDE-SFHVURJKSA-N -1 3 392.249 3.363 10 0 GGAEHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435227692 567350539 /nfs/dbraw/zinc/35/05/39/567350539.db2.gz UXPZBTLDEHCBTB-TXEJJXNPSA-N -1 3 393.322 3.129 10 0 GGAEHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000435227693 567351204 /nfs/dbraw/zinc/35/12/04/567351204.db2.gz UXPZBTLDEHCBTB-VXGBXAGGSA-N -1 3 393.322 3.129 10 0 GGAEHM CC(C)(C)OC(=O)Cn1cnc([N-]C(=O)c2cc(F)c(Cl)cc2Cl)n1 ZINC000592656684 567353726 /nfs/dbraw/zinc/35/37/26/567353726.db2.gz NRNFPLIHSAHQIH-UHFFFAOYSA-N -1 3 389.214 3.318 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)c(Cl)c1 ZINC000476927325 567358922 /nfs/dbraw/zinc/35/89/22/567358922.db2.gz BLPSIPPJFJWBEO-UHFFFAOYSA-N -1 3 379.865 3.351 10 0 GGAEHM CO[C@](C)(c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1)C1CC1 ZINC000568818300 567359204 /nfs/dbraw/zinc/35/92/04/567359204.db2.gz PTBKTQSDEIWZIK-HWPZZCPQSA-N -1 3 385.873 3.034 10 0 GGAEHM CC(C)Cn1nccc1C(=O)Nc1cc(I)ccc1[O-] ZINC000592780032 567362184 /nfs/dbraw/zinc/36/21/84/567362184.db2.gz KIRYDOPNPZKXMJ-UHFFFAOYSA-N -1 3 385.205 3.102 10 0 GGAEHM O=C(Nc1cc(I)ccc1[O-])[C@H]1CCCc2cccnc21 ZINC000618238589 567365461 /nfs/dbraw/zinc/36/54/61/567365461.db2.gz VKKRXUUCMQUGEI-LBPRGKRZSA-N -1 3 394.212 3.450 10 0 GGAEHM CCOCCOc1ccc(Br)cc1S(=O)(=O)[N-]C1CCCC1 ZINC000501112724 567365920 /nfs/dbraw/zinc/36/59/20/567365920.db2.gz NLFCIYCHYRKFRE-UHFFFAOYSA-N -1 3 392.315 3.085 10 0 GGAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)c1 ZINC000501159131 567369090 /nfs/dbraw/zinc/36/90/90/567369090.db2.gz ZRSXJDCJBMQOCW-RYUDHWBXSA-N -1 3 375.416 3.392 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1cccc(F)c1F ZINC000501179364 567371391 /nfs/dbraw/zinc/37/13/91/567371391.db2.gz XAJNXGFSQSHYRD-SECBINFHSA-N -1 3 389.807 3.429 10 0 GGAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000456423014 567373494 /nfs/dbraw/zinc/37/34/94/567373494.db2.gz OPNNWKGEMCOUAE-OAHLLOKOSA-N -1 3 398.937 3.434 10 0 GGAEHM CC(C)N1CCN(CCCSc2n[n-]c(=Nc3ccccc3)s2)CC1 ZINC000569011719 567373531 /nfs/dbraw/zinc/37/35/31/567373531.db2.gz MYYBVCYDXSVTEU-UHFFFAOYSA-N -1 3 377.583 3.212 10 0 GGAEHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000456423011 567374138 /nfs/dbraw/zinc/37/41/38/567374138.db2.gz OPNNWKGEMCOUAE-HNNXBMFYSA-N -1 3 398.937 3.434 10 0 GGAEHM COc1ccc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)c(I)c1 ZINC000592950120 567374355 /nfs/dbraw/zinc/37/43/55/567374355.db2.gz PJTMYVGRDNIWJE-UHFFFAOYSA-N -1 3 399.232 3.129 10 0 GGAEHM Cc1ccccc1-c1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2C)no1 ZINC000477136755 567374482 /nfs/dbraw/zinc/37/44/82/567374482.db2.gz LVHLOUAQSCTMMQ-UHFFFAOYSA-N -1 3 377.853 3.485 10 0 GGAEHM COC(=O)c1cc(Br)cc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)c1 ZINC000592949163 567374492 /nfs/dbraw/zinc/37/44/92/567374492.db2.gz HIYZFEAYNIUZPX-UHFFFAOYSA-N -1 3 380.242 3.065 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCOC[C@@H]1c1ccc(F)cc1 ZINC000456452740 567375815 /nfs/dbraw/zinc/37/58/15/567375815.db2.gz BXJDSTIJXLDNHY-MRXNPFEDSA-N -1 3 394.240 3.436 10 0 GGAEHM O=C(Cc1cncc([O-])c1)N[C@@H]1CSCc2ccc(Br)cc21 ZINC000618359773 567378354 /nfs/dbraw/zinc/37/83/54/567378354.db2.gz DLURLJVMIHGKGS-OAHLLOKOSA-N -1 3 379.279 3.197 10 0 GGAEHM Cc1ccc(C[C@H](CO)CNC(=O)c2cccc([O-])c2)cc1Br ZINC000456480892 567378845 /nfs/dbraw/zinc/37/88/45/567378845.db2.gz DOMSHLAOHZOHRE-AWEZNQCLSA-N -1 3 378.266 3.044 10 0 GGAEHM CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000435638251 567381839 /nfs/dbraw/zinc/38/18/39/567381839.db2.gz POXUWXGATDMAHF-KOLCDFICSA-N -1 3 399.818 3.369 10 0 GGAEHM COC(=O)c1cc(C(C)(C)C)sc1[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC000593059492 567382183 /nfs/dbraw/zinc/38/21/83/567382183.db2.gz WKJOCOUAXLIHGI-UHFFFAOYSA-N -1 3 385.463 3.081 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCN(c2ccccc2F)CC1 ZINC000477288066 567385521 /nfs/dbraw/zinc/38/55/21/567385521.db2.gz ZDZOJDHWDULSBD-UHFFFAOYSA-N -1 3 393.256 3.185 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCc1ccc(-n2cccn2)cc1 ZINC000477284948 567385769 /nfs/dbraw/zinc/38/57/69/567385769.db2.gz XSLVHWGCCNQFOT-UHFFFAOYSA-N -1 3 386.249 3.199 10 0 GGAEHM CC(C)NC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000477285332 567385979 /nfs/dbraw/zinc/38/59/79/567385979.db2.gz ZCPGVKFSQGDKMM-UHFFFAOYSA-N -1 3 391.265 3.474 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])Nc1ccc(N2CCCC2=O)cc1 ZINC000477306547 567386428 /nfs/dbraw/zinc/38/64/28/567386428.db2.gz VGMQNHJHHGFWTD-UHFFFAOYSA-N -1 3 389.249 3.463 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCN(Cc2ccccc2)CC1 ZINC000477300586 567386975 /nfs/dbraw/zinc/38/69/75/567386975.db2.gz HZIINWZBRCLXCB-UHFFFAOYSA-N -1 3 389.293 3.042 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])Nc1ccc2c(c1)NC(=O)CS2 ZINC000477310770 567388820 /nfs/dbraw/zinc/38/88/20/567388820.db2.gz NFGLESZOLSIYRR-UHFFFAOYSA-N -1 3 393.262 3.380 10 0 GGAEHM CCc1cc(=O)[n-]c(CN2CCOC[C@@H]2c2cccc(Br)c2)n1 ZINC000661730333 567390136 /nfs/dbraw/zinc/39/01/36/567390136.db2.gz IXCOPAGHJIDUSM-OAHLLOKOSA-N -1 3 378.270 3.081 10 0 GGAEHM C[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])c1nc2ccccc2n1C ZINC000477367804 567390709 /nfs/dbraw/zinc/39/07/09/567390709.db2.gz TXDHOKQKJKMAGA-LLVKDONJSA-N -1 3 388.265 3.461 10 0 GGAEHM CC1(C)COC[C@@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000456554043 567390777 /nfs/dbraw/zinc/39/07/77/567390777.db2.gz VIMQKVQTCUYYPL-LBPRGKRZSA-N -1 3 399.672 3.099 10 0 GGAEHM CC1(C)COC[C@@H]1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000456554043 567390780 /nfs/dbraw/zinc/39/07/80/567390780.db2.gz VIMQKVQTCUYYPL-LBPRGKRZSA-N -1 3 399.672 3.099 10 0 GGAEHM COCCCN(Cc1ccncc1)C(=O)Cc1ccc(Br)cc1[O-] ZINC000477365228 567391016 /nfs/dbraw/zinc/39/10/16/567391016.db2.gz JXZZEIBZDBITFJ-UHFFFAOYSA-N -1 3 393.281 3.158 10 0 GGAEHM C[C@@H](CNC(=O)Cc1ccc(Br)cc1[O-])Oc1cccc(F)c1 ZINC000477363971 567391241 /nfs/dbraw/zinc/39/12/41/567391241.db2.gz GABJGHNLWLWJCI-NSHDSACASA-N -1 3 382.229 3.420 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCc1cc(=O)[nH]c2ccccc12 ZINC000477365440 567391549 /nfs/dbraw/zinc/39/15/49/567391549.db2.gz KGZSAIUFEHYJBS-UHFFFAOYSA-N -1 3 387.233 3.267 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCc1nc2cc(F)ccc2[nH]1 ZINC000477385559 567391601 /nfs/dbraw/zinc/39/16/01/567391601.db2.gz WDLYTCIPYAWPPV-UHFFFAOYSA-N -1 3 378.201 3.029 10 0 GGAEHM CN(C)Cc1cc(CNC(=O)Cc2ccc(Br)cc2[O-])ccc1F ZINC000477370604 567391780 /nfs/dbraw/zinc/39/17/80/567391780.db2.gz BISZGWHCNVDWOU-UHFFFAOYSA-N -1 3 395.272 3.214 10 0 GGAEHM c1csc(CN2CCC[C@@H](CN=c3[n-]nc(C4CCOCC4)s3)C2)c1 ZINC000549487356 567393569 /nfs/dbraw/zinc/39/35/69/567393569.db2.gz SNOZOKJNSHGKHQ-AWEZNQCLSA-N -1 3 378.567 3.240 10 0 GGAEHM C[C@H](O)C[C@@H](CNC(=O)Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000477422366 567394026 /nfs/dbraw/zinc/39/40/26/567394026.db2.gz DFUOOSMXJRCMRS-BBRMVZONSA-N -1 3 392.293 3.368 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N[C@H](CCCO)c1ccccc1 ZINC000477441555 567395144 /nfs/dbraw/zinc/39/51/44/567395144.db2.gz DSHWIABLWFWAFK-MRXNPFEDSA-N -1 3 378.266 3.327 10 0 GGAEHM Cc1ccc(S(=O)(=O)[N-]CCC(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000549546311 567396164 /nfs/dbraw/zinc/39/61/64/567396164.db2.gz YMXGSOCIRQIHSF-UHFFFAOYSA-N -1 3 377.249 3.202 10 0 GGAEHM CC1(C)Cc2cc(S(=O)(=O)[N-][C@@H](c3nccs3)C(F)(F)F)ccc2O1 ZINC000549524330 567396185 /nfs/dbraw/zinc/39/61/85/567396185.db2.gz HOSTYIWPROBNLM-LBPRGKRZSA-N -1 3 392.424 3.439 10 0 GGAEHM Cc1csc(C(=O)[N-]c2ncn(C(C)C)n2)c1I ZINC000593230402 567399036 /nfs/dbraw/zinc/39/90/36/567399036.db2.gz AMFVGQGDAMIIDJ-UHFFFAOYSA-N -1 3 376.223 3.086 10 0 GGAEHM CCOc1cc(-c2noc(Cn3cncc3C)n2)cc(Br)c1[O-] ZINC000528168869 567399859 /nfs/dbraw/zinc/39/98/59/567399859.db2.gz YAHKZELAOAEZMZ-UHFFFAOYSA-N -1 3 379.214 3.157 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-][C@@H](c2cccnc2)C(C)(C)CO)c(Cl)cc1F ZINC000569360428 567400009 /nfs/dbraw/zinc/40/00/09/567400009.db2.gz UIBDUBJMBCRXCZ-INIZCTEOSA-N -1 3 386.876 3.221 10 0 GGAEHM 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COc1cccc(C(=O)N[C@H]2CCOc3c(Br)cccc32)c1[O-] ZINC000436498238 567428075 /nfs/dbraw/zinc/42/80/75/567428075.db2.gz VTPILHWEJGEETA-ZDUSSCGKSA-N -1 3 378.222 3.417 10 0 GGAEHM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000528494808 567428942 /nfs/dbraw/zinc/42/89/42/567428942.db2.gz KPBZJFZURKXKDO-IINYFYTJSA-N -1 3 394.718 3.089 10 0 GGAEHM CN1CC[C@H](NC(=O)c2cc(Br)ccc2[O-])[C@@H]1c1ccccc1 ZINC000436524313 567430938 /nfs/dbraw/zinc/43/09/38/567430938.db2.gz GOMWKQRISGKBCR-RDJZCZTQSA-N -1 3 375.266 3.330 10 0 GGAEHM O=S(=O)([N-][C@@H](c1ccccn1)C1CCC1)c1ccc(Br)cn1 ZINC000528499412 567431115 /nfs/dbraw/zinc/43/11/15/567431115.db2.gz KEBMYWYZILPXKE-OAHLLOKOSA-N -1 3 382.283 3.059 10 0 GGAEHM CN1CC[C@@H](NC(=O)c2cc(Br)ccc2[O-])[C@@H]1c1ccccc1 ZINC000436524314 567431776 /nfs/dbraw/zinc/43/17/76/567431776.db2.gz GOMWKQRISGKBCR-WBVHZDCISA-N -1 3 375.266 3.330 10 0 GGAEHM CN(C)Cc1cc(CNC(=O)c2ccc(Br)cc2[O-])ccc1F ZINC000436550428 567432621 /nfs/dbraw/zinc/43/26/21/567432621.db2.gz 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CCOc1cc(CN2CCO[C@H](COC(C)C)C2)cc(Br)c1[O-] ZINC000569906183 567442157 /nfs/dbraw/zinc/44/21/57/567442157.db2.gz CBUGMQQAOOFQBJ-AWEZNQCLSA-N -1 3 388.302 3.179 10 0 GGAEHM COc1cccc(C(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)c1[O-] ZINC000436673706 567442536 /nfs/dbraw/zinc/44/25/36/567442536.db2.gz GDEADBKDRPFXNU-UHFFFAOYSA-N -1 3 389.209 3.201 10 0 GGAEHM CC1(C)[C@@H](CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1(F)F ZINC000619394188 567449058 /nfs/dbraw/zinc/44/90/58/567449058.db2.gz PGWIKHITHAKYBC-CYBMUJFWSA-N -1 3 385.208 3.312 10 0 GGAEHM CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000457236690 567450185 /nfs/dbraw/zinc/45/01/85/567450185.db2.gz PKDJJOKONSTLMD-GOSISDBHSA-N -1 3 398.297 3.278 10 0 GGAEHM CC(C)n1cc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)nn1 ZINC000550588060 567452836 /nfs/dbraw/zinc/45/28/36/567452836.db2.gz IDXUWOSRTMRLAC-UHFFFAOYSA-N -1 3 393.270 3.392 10 0 GGAEHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000594030839 567454453 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GGAEHM CCc1nc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)sc1C(C)(C)C ZINC000459698028 567651844 /nfs/dbraw/zinc/65/18/44/567651844.db2.gz KYUHBRQGHODIDB-UHFFFAOYSA-N -1 3 376.408 3.462 10 0 GGAEHM Cc1cccc2cc(S(=O)(=O)[N-]CCc3cn4c(n3)SCC4)sc21 ZINC000645653201 567652523 /nfs/dbraw/zinc/65/25/23/567652523.db2.gz HCKRZHYELNDDPF-UHFFFAOYSA-N -1 3 379.532 3.033 10 0 GGAEHM O=C(COc1ccsc1)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000507013967 567654695 /nfs/dbraw/zinc/65/46/95/567654695.db2.gz HAFZYOQIAPTWNT-UHFFFAOYSA-N -1 3 397.229 3.452 10 0 GGAEHM O=C(Cc1c(F)ccc(Br)c1F)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000507030473 567656236 /nfs/dbraw/zinc/65/62/36/567656236.db2.gz UXXODFNSJDAJRS-UHFFFAOYSA-N -1 3 393.191 3.116 10 0 GGAEHM CSc1ccc([C@@H](C)[N-]S(=O)(=O)c2coc(C(=O)N(C)C)c2C)cc1 ZINC000645691427 567657316 /nfs/dbraw/zinc/65/73/16/567657316.db2.gz ALAFRTWZHBCBEG-GFCCVEGCSA-N -1 3 382.507 3.051 10 0 GGAEHM CCc1cnc(CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)s1 ZINC000553501861 567658879 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C[C@@H](OC[C@H]1CCCO1)C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000531513951 567663005 /nfs/dbraw/zinc/66/30/05/567663005.db2.gz DWRQLHBWUWBFMA-QMTHXVAHSA-N -1 3 384.263 3.328 10 0 GGAEHM C[C@H](OC[C@H]1CCCO1)C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000531513950 567663055 /nfs/dbraw/zinc/66/30/55/567663055.db2.gz DWRQLHBWUWBFMA-IINYFYTJSA-N -1 3 384.263 3.328 10 0 GGAEHM O=S(=O)([N-][C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1ccc(Cl)s1 ZINC000481217795 567663741 /nfs/dbraw/zinc/66/37/41/567663741.db2.gz IDTVUIMHLDYQRS-UONOGXRCSA-N -1 3 379.894 3.422 10 0 GGAEHM [O-]c1ccc(F)c(CN2CCN(c3ccc(Br)cn3)CC2)c1F ZINC000507187226 567663822 /nfs/dbraw/zinc/66/38/22/567663822.db2.gz JJNAXHFAZLJUCF-UHFFFAOYSA-N -1 3 384.224 3.150 10 0 GGAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C)C2)s1 ZINC000481238457 567664262 /nfs/dbraw/zinc/66/42/62/567664262.db2.gz ZSDLTISYLUQHRY-GJZGRUSLSA-N -1 3 386.583 3.167 10 0 GGAEHM O=S(=O)([N-][C@@H]1CCC[C@@H](CO)C1)c1cc(Cl)ccc1OC(F)(F)F ZINC000645761469 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CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cn3ccccc3=O)cc2)cc1 ZINC000040135021 205056625 /nfs/dbraw/zinc/05/66/25/205056625.db2.gz HFKCGHMECMCEKN-UHFFFAOYSA-N -1 3 384.457 3.096 10 0 GGAEHM Cc1cc(Br)c([O-])c(C(=O)OCC(=O)N2[C@H](C)CCC[C@@H]2C)c1 ZINC000040151886 205058640 /nfs/dbraw/zinc/05/86/40/205058640.db2.gz YBDNATBGVLFGAM-TXEJJXNPSA-N -1 3 384.270 3.409 10 0 GGAEHM CCOC(=O)c1c(C)oc2nc(CN3CCC[C@@H]3c3ccsc3)[n-]c(=O)c21 ZINC000040154229 205060037 /nfs/dbraw/zinc/06/00/37/205060037.db2.gz JDPHNZICFNWZBC-CYBMUJFWSA-N -1 3 387.461 3.400 10 0 GGAEHM Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ncccc1[O-] ZINC000044948950 205091334 /nfs/dbraw/zinc/09/13/34/205091334.db2.gz PYGUQKQOOZYMHE-UHFFFAOYSA-N -1 3 391.353 3.185 10 0 GGAEHM Cc1c(=O)[n-]c(-c2ccc(CN3CC(n4cccn4)C3)cc2)nc1C(F)(F)F ZINC000048071944 205112845 /nfs/dbraw/zinc/11/28/45/205112845.db2.gz ABYUEPRREDEDSL-UHFFFAOYSA-N -1 3 389.381 3.430 10 0 GGAEHM COc1ccccc1[C@@H]1CC(c2ccccc2[O-])=NC2(CCN(C(C)=O)CC2)N1 ZINC000048990355 205124390 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3.073 10 0 GGAEHM CCC[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)cs1 ZINC000065116944 205212227 /nfs/dbraw/zinc/21/22/27/205212227.db2.gz KUXFBXLXIAISJZ-UHFFFAOYSA-N -1 3 399.563 3.104 10 0 GGAEHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc3c(cc2C)n(C)c(=O)n3C)c1C ZINC000064591871 205191409 /nfs/dbraw/zinc/19/14/09/205191409.db2.gz YVYKWTJSDHHJSK-UHFFFAOYSA-N -1 3 387.505 3.220 10 0 GGAEHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)n(C)c(=O)n3C)c1 ZINC000064591819 205191819 /nfs/dbraw/zinc/19/18/19/205191819.db2.gz AADIAVJMWJDGKU-UHFFFAOYSA-N -1 3 393.896 3.256 10 0 GGAEHM CN1CCCN(c2ccc(NC(=O)c3cccc(Cl)c3)c(C(=O)[O-])c2)CC1 ZINC000064589118 205192114 /nfs/dbraw/zinc/19/21/14/205192114.db2.gz CBKBNPKWIIWGNV-UHFFFAOYSA-N -1 3 387.867 3.432 10 0 GGAEHM O=C(C1CCC1)N1CCc2sc(S(=O)(=O)[N-]C3CCCCCC3)cc2C1 ZINC000065196267 205218915 /nfs/dbraw/zinc/21/89/15/205218915.db2.gz KDUWHVDFJZXKTQ-UHFFFAOYSA-N -1 3 396.578 3.434 10 0 GGAEHM Cc1ccc([N-]C(=O)c2nc(-c3cn(-c4ccc(F)cc4)nn3)no2)cc1F ZINC000065236716 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3.107 10 0 GGAEHM COC(=O)[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)C(F)(F)F)C(C)(C)C ZINC000071792933 205297556 /nfs/dbraw/zinc/29/75/56/205297556.db2.gz JYZYGNLFWCFONC-CHWSQXEVSA-N -1 3 381.416 3.040 10 0 GGAEHM COc1cccc(Cc2c(C)nc(CN(CC(C)C)C(=O)C3CCC3)[n-]c2=O)c1 ZINC000096317954 205559627 /nfs/dbraw/zinc/55/96/27/205559627.db2.gz CNCAXDSZJNVKRY-UHFFFAOYSA-N -1 3 397.519 3.462 10 0 GGAEHM CC(C)C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccccc1 ZINC000225517572 206053658 /nfs/dbraw/zinc/05/36/58/206053658.db2.gz SFWFKFGPQVLZCO-IBGZPJMESA-N -1 3 385.489 3.392 10 0 GGAEHM CCOc1cc(/C=C2\SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(Cl)c1[O-] ZINC000096472165 206122502 /nfs/dbraw/zinc/12/25/02/206122502.db2.gz KAXRFEVCQUJKCA-VQLBTBKJSA-N -1 3 385.825 3.042 10 0 GGAEHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc2c(cc1Br)OCCO2 ZINC000294310462 206225843 /nfs/dbraw/zinc/22/58/43/206225843.db2.gz YBSLFNBEDQGEFS-GLQYFDAESA-N -1 3 396.281 3.438 10 0 GGAEHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc2c(cc1Br)OCCO2 ZINC000294310456 206226273 /nfs/dbraw/zinc/22/62/73/206226273.db2.gz YBSLFNBEDQGEFS-DFBGVHRSSA-N -1 3 396.281 3.438 10 0 GGAEHM C[C@H](NC(=O)CSc1n[n-]c(-c2cccs2)n1)c1ccc2c(c1)OCO2 ZINC000007984873 221018870 /nfs/dbraw/zinc/01/88/70/221018870.db2.gz RMJHSLSAAZORKQ-JTQLQIEISA-N -1 3 388.474 3.231 10 0 GGAEHM CCN(C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C1=CCCC1 ZINC000032722840 221730149 /nfs/dbraw/zinc/73/01/49/221730149.db2.gz MNAZVLKOEPALDS-UHFFFAOYSA-N -1 3 395.488 3.117 10 0 GGAEHM CCc1nnc(-c2csc(S(=O)(=O)[N-]CCCc3ccccc3)c2)o1 ZINC000065098637 222100457 /nfs/dbraw/zinc/10/04/57/222100457.db2.gz HFGFVNBELDBBPF-UHFFFAOYSA-N -1 3 377.491 3.272 10 0 GGAEHM CC(C)c1cc(OCC(=O)[O-])nc(NC2CCN(Cc3ccccc3)CC2)n1 ZINC000073709077 519833576 /nfs/dbraw/zinc/83/35/76/519833576.db2.gz IVAPIHQZCSPNQP-UHFFFAOYSA-N -1 3 384.480 3.140 10 0 GGAEHM O=C([O-])CN1CCN(c2cc(-c3ccccc3)nc(-c3ccccc3F)n2)CC1 ZINC000073685501 527610651 /nfs/dbraw/zinc/61/06/51/527610651.db2.gz XARNKTFQCUIFKR-UHFFFAOYSA-N -1 3 392.434 3.156 10 0 GGAEHM O=C([O-])CN1CCN(c2cc(-c3ccccc3)nc(-c3ccc(F)cc3)n2)CC1 ZINC000073685712 527610946 /nfs/dbraw/zinc/61/09/46/527610946.db2.gz IEZWLEGKNCIFQE-UHFFFAOYSA-N -1 3 392.434 3.156 10 0 GGAEHM CC(C)c1cc(C(=O)N2Cc3cccc(N4CCN(C)CC4)c3C2)c([O-])cc1O ZINC000058582736 535359644 /nfs/dbraw/zinc/35/96/44/535359644.db2.gz BHIGZZZLNMKWKD-UHFFFAOYSA-N -1 3 395.503 3.129 10 0 GGAEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1cccc(C)c1Br ZINC000125296427 564509856 /nfs/dbraw/zinc/50/98/56/564509856.db2.gz VNVBPBXGYBUKRM-NSHDSACASA-N -1 3 390.324 3.139 10 0 GGAEHM CCC[C@H](CCO)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000312848009 565583359 /nfs/dbraw/zinc/58/33/59/565583359.db2.gz LPCZFQZSMLTNCG-SNVBAGLBSA-N -1 3 384.723 3.180 10 0 GGAEHM C[C@H](CCNCc1cc(Br)c([O-])c(Br)c1)[S@](C)=O ZINC000235426560 565936308 /nfs/dbraw/zinc/93/63/08/565936308.db2.gz XETULBMCQVQGJL-CVJBHZAOSA-N -1 3 399.148 3.164 10 0 GGAEHM O=S(=O)([N-]CCOCC1CCC1)c1c(Cl)cccc1Br ZINC000580332582 566683955 /nfs/dbraw/zinc/68/39/55/566683955.db2.gz DELRLOYKZGCZRC-UHFFFAOYSA-N -1 3 382.707 3.198 10 0 GGAEHM Cc1cc(Br)c(CN[C@H]2C[C@H](C(=O)[O-])C2)cc1Br ZINC000630461803 566734029 /nfs/dbraw/zinc/73/40/29/566734029.db2.gz FSRMZKJTZDUYHV-CZMCAQCFSA-N -1 3 377.076 3.473 10 0 GGAEHM COc1ccc(OC)c([C@H](C)[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000008059091 564245468 /nfs/dbraw/zinc/24/54/68/564245468.db2.gz IZWYUXQVNVPBDG-VIFPVBQESA-N -1 3 375.368 3.161 10 0 GGAEHM COc1ccsc1S(=O)(=O)[N-]CCc1coc(-c2ccc(F)cc2)n1 ZINC000119044502 564252169 /nfs/dbraw/zinc/25/21/69/564252169.db2.gz XEQCUJSQLMOXDG-UHFFFAOYSA-N -1 3 382.438 3.072 10 0 GGAEHM COc1c(Br)c(C)sc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119277352 564263164 /nfs/dbraw/zinc/26/31/64/564263164.db2.gz KKJUXMCFTOUOAM-UHFFFAOYSA-N -1 3 396.270 3.204 10 0 GGAEHM COc1c(Br)c(C)sc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119277352 564263168 /nfs/dbraw/zinc/26/31/68/564263168.db2.gz KKJUXMCFTOUOAM-UHFFFAOYSA-N -1 3 396.270 3.204 10 0 GGAEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl)c1c(C)noc1C ZINC000119300352 564264151 /nfs/dbraw/zinc/26/41/51/564264151.db2.gz LCWNITGABPCWDZ-CYBMUJFWSA-N -1 3 386.857 3.161 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)n[n-]1 ZINC000119304912 564264717 /nfs/dbraw/zinc/26/47/17/564264717.db2.gz DEDVNBLRDXWNAN-STQMWFEESA-N -1 3 386.253 3.315 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)[n-]n1 ZINC000119304912 564264721 /nfs/dbraw/zinc/26/47/21/564264721.db2.gz DEDVNBLRDXWNAN-STQMWFEESA-N -1 3 386.253 3.315 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)n[n-]1 ZINC000119390030 564269137 /nfs/dbraw/zinc/26/91/37/564269137.db2.gz YWXDGIVHQUYPHE-OLZOCXBDSA-N -1 3 386.253 3.315 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)[n-]n1 ZINC000119390030 564269139 /nfs/dbraw/zinc/26/91/39/564269139.db2.gz YWXDGIVHQUYPHE-OLZOCXBDSA-N -1 3 386.253 3.315 10 0 GGAEHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([C@H]3NC(=O)CS3)c2)c(C)c1 ZINC000013359232 564276479 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CC[C@H]([N-]S(=O)(=O)c1cc(Br)cc(OC)c1)c1nccs1 ZINC000185818594 565223047 /nfs/dbraw/zinc/22/30/47/565223047.db2.gz SWHLDGLWUVDKCQ-LBPRGKRZSA-N -1 3 391.312 3.344 10 0 GGAEHM Cn1c([N-]C(=O)c2cc(-c3cccc(Br)c3)no2)nnc1C1CC1 ZINC000617293935 565231792 /nfs/dbraw/zinc/23/17/92/565231792.db2.gz AAVDVRNROSUXNY-UHFFFAOYSA-N -1 3 388.225 3.362 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCCCCSC ZINC000185977236 565232437 /nfs/dbraw/zinc/23/24/37/565232437.db2.gz BGNHULSIIATKSC-UHFFFAOYSA-N -1 3 382.345 3.269 10 0 GGAEHM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-][C@H](c1nc[nH]n1)c1ccccc1 ZINC000372459560 565240107 /nfs/dbraw/zinc/24/01/07/565240107.db2.gz GEMVTINCIBXVRZ-HNNXBMFYSA-N -1 3 397.287 3.321 10 0 GGAEHM COC(=O)c1c2c(sc1[N-]C(=O)c1cc(S(C)(=O)=O)cs1)CCCC2 ZINC000271141770 565240163 /nfs/dbraw/zinc/24/01/63/565240163.db2.gz OLIBESHHCSWKDO-UHFFFAOYSA-N -1 3 399.515 3.131 10 0 GGAEHM CCOC(=O)c1cc(CC)sc1[N-]C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000271168804 565241358 /nfs/dbraw/zinc/24/13/58/565241358.db2.gz 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C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c2ccccc21 ZINC000162289710 565311010 /nfs/dbraw/zinc/31/10/10/565311010.db2.gz FBPSWGKBCSEILY-CZUORRHYSA-N -1 3 379.503 3.007 10 0 GGAEHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)c2ccccc21 ZINC000162289566 565311451 /nfs/dbraw/zinc/31/14/51/565311451.db2.gz FBPSWGKBCSEILY-BBRMVZONSA-N -1 3 379.503 3.007 10 0 GGAEHM O=C([N-]c1ncn(C2CCCCC2)n1)c1n[nH]c(C2CC2)c1Br ZINC000273226442 565313164 /nfs/dbraw/zinc/31/31/64/565313164.db2.gz SZLGDSHOMFOBIU-UHFFFAOYSA-N -1 3 379.262 3.399 10 0 GGAEHM Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000187392757 565328442 /nfs/dbraw/zinc/32/84/42/565328442.db2.gz TXERIMAYCYRYRN-LBPRGKRZSA-N -1 3 394.806 3.072 10 0 GGAEHM CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000162948928 565332826 /nfs/dbraw/zinc/33/28/26/565332826.db2.gz GUMYMHKUDJCSQV-CYBMUJFWSA-N -1 3 389.308 3.269 10 0 GGAEHM Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000187528503 565338471 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Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cn(-c3ccccc3)nn2)sc1Cl ZINC000188106368 565378977 /nfs/dbraw/zinc/37/89/77/565378977.db2.gz KVPOKDISIOFVSV-NSHDSACASA-N -1 3 382.898 3.330 10 0 GGAEHM CCOc1cc(CN2CC[C@](O)(C(F)(F)F)C2)cc(Br)c1[O-] ZINC000297602811 565379028 /nfs/dbraw/zinc/37/90/28/565379028.db2.gz FVWXDEWCJPKDGI-CYBMUJFWSA-N -1 3 384.192 3.053 10 0 GGAEHM CC(C)Cn1ccnc1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188149983 565383810 /nfs/dbraw/zinc/38/38/10/565383810.db2.gz QRCWSPDQGRXAIF-UHFFFAOYSA-N -1 3 380.272 3.464 10 0 GGAEHM Cc1csc([C@H]([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)C2CC2)n1 ZINC000170642463 565384729 /nfs/dbraw/zinc/38/47/29/565384729.db2.gz NYIFZJVIYAULAK-GFCCVEGCSA-N -1 3 382.898 3.182 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N3CCOC3=O)cc2)sc1Cl ZINC000188171749 565384918 /nfs/dbraw/zinc/38/49/18/565384918.db2.gz FKHOEGQSTSHGIQ-UHFFFAOYSA-N -1 3 386.882 3.145 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)C2(c3ccccc3Br)CC2)n[n-]1 ZINC000188161924 565384954 /nfs/dbraw/zinc/38/49/54/565384954.db2.gz XFAATKMHXHTWSD-UHFFFAOYSA-N -1 3 386.253 3.243 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)C2(c3ccccc3Br)CC2)[n-]n1 ZINC000188161924 565384955 /nfs/dbraw/zinc/38/49/55/565384955.db2.gz XFAATKMHXHTWSD-UHFFFAOYSA-N -1 3 386.253 3.243 10 0 GGAEHM CCOc1cc(CNCc2c(CC)nn(C)c2OC)cc(Br)c1[O-] ZINC000297787726 565386430 /nfs/dbraw/zinc/38/64/30/565386430.db2.gz WQFPWZVELUUQNE-UHFFFAOYSA-N -1 3 398.301 3.148 10 0 GGAEHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccccc1 ZINC000170735415 565389576 /nfs/dbraw/zinc/38/95/76/565389576.db2.gz HJGFYPRLSOWRJU-CQSZACIVSA-N -1 3 388.258 3.254 10 0 GGAEHM Cc1cccc(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)n1 ZINC000170787871 565393623 /nfs/dbraw/zinc/39/36/23/565393623.db2.gz OJCPPBKSQDMZPR-UHFFFAOYSA-N -1 3 375.675 3.284 10 0 GGAEHM CCOc1cc(CN2CCS[C@@H]3COCC[C@@H]32)cc(Br)c1[O-] ZINC000297965820 565393838 /nfs/dbraw/zinc/39/38/38/565393838.db2.gz WWQWIKWCYOZEJD-DZGCQCFKSA-N -1 3 388.327 3.260 10 0 GGAEHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1OC ZINC000170939967 565399496 /nfs/dbraw/zinc/39/94/96/565399496.db2.gz DKWJLYNJTQGDBI-VIFPVBQESA-N -1 3 375.368 3.161 10 0 GGAEHM CCOc1cc(CN[C@H]2CCCc3nn(C)cc32)cc(Br)c1[O-] ZINC000298134242 565400278 /nfs/dbraw/zinc/40/02/78/565400278.db2.gz QGVFMEZVXODRDM-AWEZNQCLSA-N -1 3 380.286 3.454 10 0 GGAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1cc2ccccc2s1 ZINC000170960806 565400870 /nfs/dbraw/zinc/40/08/70/565400870.db2.gz RBYUZJKQGKTZQY-LBPRGKRZSA-N -1 3 395.527 3.344 10 0 GGAEHM CCOc1cc(CN(CCCO)Cc2ccccn2)cc(Br)c1[O-] ZINC000298212265 565403746 /nfs/dbraw/zinc/40/37/46/565403746.db2.gz ZEPHJHRFKCGPGS-UHFFFAOYSA-N -1 3 395.297 3.333 10 0 GGAEHM CO[C@@H](C)c1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000171055078 565405040 /nfs/dbraw/zinc/40/50/40/565405040.db2.gz ANNHKMRFHKNTJP-JTQLQIEISA-N -1 3 388.898 3.026 10 0 GGAEHM CCOc1cc(CN[C@@H]2CCCc3c2cnn3C)cc(Br)c1[O-] ZINC000298375059 565410937 /nfs/dbraw/zinc/41/09/37/565410937.db2.gz AXSOYPRMQWUMOV-CQSZACIVSA-N -1 3 380.286 3.454 10 0 GGAEHM CCOc1cc(CNCc2nccn2C(F)F)cc(Br)c1[O-] ZINC000298596365 565421336 /nfs/dbraw/zinc/42/13/36/565421336.db2.gz YVCDPRGRRBYRTL-UHFFFAOYSA-N -1 3 376.201 3.435 10 0 GGAEHM COC(=O)CCCc1nnc([N-]C(=O)c2sc(CC3CC3)nc2C)s1 ZINC000188855262 565427570 /nfs/dbraw/zinc/42/75/70/565427570.db2.gz ZOYLTRAZCDCMIU-UHFFFAOYSA-N -1 3 380.495 3.004 10 0 GGAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1ccccc1OC(F)F ZINC000298822557 565430662 /nfs/dbraw/zinc/43/06/62/565430662.db2.gz POVPAKWWHPZGCW-MRVPVSSYSA-N -1 3 379.816 3.023 10 0 GGAEHM CC(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2Cl)c2ccccc21 ZINC000376369765 565433536 /nfs/dbraw/zinc/43/35/36/565433536.db2.gz QRTAIMBBTVNBIW-HNNXBMFYSA-N -1 3 382.844 3.255 10 0 GGAEHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc(Br)ccc2F)s1 ZINC000376400611 565434499 /nfs/dbraw/zinc/43/44/99/565434499.db2.gz VQYVMSNJHISFBN-UHFFFAOYSA-N -1 3 382.218 3.391 10 0 GGAEHM Cc1sc(C[N-]S(=O)(=O)[C@H]2CCO[C@H]2C)nc1-c1ccc(Cl)cc1 ZINC000276123848 565436732 /nfs/dbraw/zinc/43/67/32/565436732.db2.gz 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ZINC000190164740 565512746 /nfs/dbraw/zinc/51/27/46/565512746.db2.gz PFGHPMODYOERAH-UHFFFAOYSA-N -1 3 392.249 3.360 10 0 GGAEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)c(F)c2)n1 ZINC000173107751 565528288 /nfs/dbraw/zinc/52/82/88/565528288.db2.gz SELJLQMGLOTZLW-QMMMGPOBSA-N -1 3 379.276 3.393 10 0 GGAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000190470284 565534272 /nfs/dbraw/zinc/53/42/72/565534272.db2.gz DGKYVMAMXWFZLE-UHFFFAOYSA-N -1 3 375.418 3.259 10 0 GGAEHM COc1cccc([C@H](C)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000173186999 565535036 /nfs/dbraw/zinc/53/50/36/565535036.db2.gz YEYGLYHTQNBLJX-AWEZNQCLSA-N -1 3 380.535 3.261 10 0 GGAEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(Br)c1)c1nccs1 ZINC000173203160 565536221 /nfs/dbraw/zinc/53/62/21/565536221.db2.gz HTBXLBQHPXRGBN-LLVKDONJSA-N -1 3 379.276 3.474 10 0 GGAEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(F)c(Br)c2)n1 ZINC000173200190 565536457 /nfs/dbraw/zinc/53/64/57/565536457.db2.gz KRUCXHFWPBUHHS-QMMMGPOBSA-N -1 3 379.276 3.393 10 0 GGAEHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccsc1 ZINC000190511575 565537792 /nfs/dbraw/zinc/53/77/92/565537792.db2.gz LAPUOOATJCSULL-GFCCVEGCSA-N -1 3 389.926 3.336 10 0 GGAEHM O=S(=O)([N-]CCc1nccs1)c1c(Cl)cccc1Br ZINC000302375385 565539684 /nfs/dbraw/zinc/53/96/84/565539684.db2.gz CYFMOXLKHKIZPU-UHFFFAOYSA-N -1 3 381.704 3.080 10 0 GGAEHM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000380002358 565540206 /nfs/dbraw/zinc/54/02/06/565540206.db2.gz PPTJULJCOYXJKW-GFCCVEGCSA-N -1 3 384.723 3.178 10 0 GGAEHM CN1CCC[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)[C@@H]1c1cccs1 ZINC000173324954 565549200 /nfs/dbraw/zinc/54/92/00/565549200.db2.gz JWFYOMSIABNIJA-SJKOYZFVSA-N -1 3 386.489 3.388 10 0 GGAEHM Cc1cccc(C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)n1 ZINC000190659774 565549521 /nfs/dbraw/zinc/54/95/21/565549521.db2.gz UPCDMKICUNUSEC-UHFFFAOYSA-N -1 3 393.665 3.424 10 0 GGAEHM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000393487389 565568494 /nfs/dbraw/zinc/56/84/94/565568494.db2.gz 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O=C(c1cnc2ccc(Br)cc2c1[O-])N1CCO[C@H]2CCCC[C@@H]21 ZINC000408195148 565598455 /nfs/dbraw/zinc/59/84/55/565598455.db2.gz LLBWBDYYDHMLGI-HOTGVXAUSA-N -1 3 391.265 3.074 10 0 GGAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000408195150 565598529 /nfs/dbraw/zinc/59/85/29/565598529.db2.gz LLBWBDYYDHMLGI-JKSUJKDBSA-N -1 3 391.265 3.074 10 0 GGAEHM O=C(c1cnc2ccc(Br)cc2c1[O-])N1CCO[C@@H]2CCCC[C@@H]21 ZINC000408195150 565598530 /nfs/dbraw/zinc/59/85/30/565598530.db2.gz LLBWBDYYDHMLGI-JKSUJKDBSA-N -1 3 391.265 3.074 10 0 GGAEHM C[C@H]1CCSCCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000408443011 565609793 /nfs/dbraw/zinc/60/97/93/565609793.db2.gz OAWRFEKIZJXHMK-JTQLQIEISA-N -1 3 381.295 3.258 10 0 GGAEHM C[C@H]1CSCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000408440733 565609897 /nfs/dbraw/zinc/60/98/97/565609897.db2.gz FSUWZRKKKRRGKJ-SNVBAGLBSA-N -1 3 381.295 3.116 10 0 GGAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CC(C)(C)C(F)(F)F)cc1OC ZINC000280066648 565650690 /nfs/dbraw/zinc/65/06/90/565650690.db2.gz PFPPFZFGTCISOR-UHFFFAOYSA-N -1 3 382.404 3.374 10 0 GGAEHM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000330366671 565702561 /nfs/dbraw/zinc/70/25/61/565702561.db2.gz YGCNURKJXAZSMB-NSHDSACASA-N -1 3 384.723 3.178 10 0 GGAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)Cc1ccc(C)s1 ZINC000174832664 565662172 /nfs/dbraw/zinc/66/21/72/565662172.db2.gz APQZNRWJOMJKKK-UHFFFAOYSA-N -1 3 380.491 3.200 10 0 GGAEHM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(C)(C)C ZINC000330418575 565705538 /nfs/dbraw/zinc/70/55/38/565705538.db2.gz PQVOSIZULWWDFB-LLVKDONJSA-N -1 3 384.723 3.442 10 0 GGAEHM CC(C)(CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(F)(F)F ZINC000280422104 565670458 /nfs/dbraw/zinc/67/04/58/565670458.db2.gz SWNDNPWMZDUXHO-UHFFFAOYSA-N -1 3 382.379 3.184 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])Nc1ccc(N2CCC2=O)cc1 ZINC000410251455 565673740 /nfs/dbraw/zinc/67/37/40/565673740.db2.gz SFKBALLLTPPFCW-UHFFFAOYSA-N -1 3 375.222 3.073 10 0 GGAEHM COc1ccc([O-])c(C(=O)N[C@H]2CCOc3c(Br)cccc32)c1 ZINC000410264305 565674524 /nfs/dbraw/zinc/67/45/24/565674524.db2.gz DRTNFGOZBSTYKW-AWEZNQCLSA-N -1 3 378.222 3.417 10 0 GGAEHM Cc1cnc(N)c(S(=O)(=O)[N-]c2cc(F)c(Br)cc2Cl)c1 ZINC000410397847 565683009 /nfs/dbraw/zinc/68/30/09/565683009.db2.gz MKHANVYFHPEMJV-UHFFFAOYSA-N -1 3 394.653 3.328 10 0 GGAEHM COc1ccc(Br)c(S(=O)(=O)[N-]CCc2ccsc2)c1 ZINC000175214536 565686395 /nfs/dbraw/zinc/68/63/95/565686395.db2.gz MGIUXGBXJBFQGZ-UHFFFAOYSA-N -1 3 376.297 3.040 10 0 GGAEHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000175276736 565690151 /nfs/dbraw/zinc/69/01/51/565690151.db2.gz JSSBANKGPYLABK-YPMHNXCESA-N -1 3 394.356 3.410 10 0 GGAEHM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCC[C@H]1O ZINC000330419037 565705391 /nfs/dbraw/zinc/70/53/91/565705391.db2.gz PBPWKNJVPUCWGQ-TZMCWYRMSA-N -1 3 396.734 3.322 10 0 GGAEHM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000330486062 565709084 /nfs/dbraw/zinc/70/90/84/565709084.db2.gz BTOKABDLMXEODL-SKDRFNHKSA-N -1 3 387.299 3.041 10 0 GGAEHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)c(C)o1 ZINC000175564577 565709813 /nfs/dbraw/zinc/70/98/13/565709813.db2.gz XLZRYRWAMSFSLJ-UHFFFAOYSA-N -1 3 386.857 3.189 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000175656393 565713538 /nfs/dbraw/zinc/71/35/38/565713538.db2.gz HMVGAVIRZPCZOG-MJBXVCDLSA-N -1 3 382.507 3.008 10 0 GGAEHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cccnc2C(F)(F)F)sc1C ZINC000330662371 565717055 /nfs/dbraw/zinc/71/70/55/565717055.db2.gz DGMKMXOEMCBPEC-UHFFFAOYSA-N -1 3 379.429 3.387 10 0 GGAEHM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000330677917 565717941 /nfs/dbraw/zinc/71/79/41/565717941.db2.gz VXUKQYPQMHMQDK-SMDDNHRTSA-N -1 3 380.432 3.220 10 0 GGAEHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCO1 ZINC000330680580 565717958 /nfs/dbraw/zinc/71/79/58/565717958.db2.gz MACHHAOHQQYNGN-QWHCGFSZSA-N -1 3 380.432 3.363 10 0 GGAEHM O=S(=O)([N-]C[C@H]1CCN(Cc2ccccc2)C1)c1c(F)cccc1Cl ZINC000192979664 565722442 /nfs/dbraw/zinc/72/24/42/565722442.db2.gz VEQVWFUDCVVBFU-OAHLLOKOSA-N -1 3 382.888 3.280 10 0 GGAEHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@H]1O)c1ccc(Br)cc1F ZINC000331057140 565736829 /nfs/dbraw/zinc/73/68/29/565736829.db2.gz LSIAWNOKSKKSKH-SMDDNHRTSA-N -1 3 394.306 3.198 10 0 GGAEHM CCOC(=O)c1cnc(C(C)=Cc2ccc(Br)c(F)c2)[n-]c1=O ZINC000193265893 565742099 /nfs/dbraw/zinc/74/20/99/565742099.db2.gz GEZKWPBYARIKOP-RMKNXTFCSA-N -1 3 381.201 3.409 10 0 GGAEHM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000331202025 565746000 /nfs/dbraw/zinc/74/60/00/565746000.db2.gz VZBGWMZSGMBKOM-SECBINFHSA-N -1 3 376.309 3.253 10 0 GGAEHM O=S(=O)([N-]CCC[C@H]1CCCC[C@@H]1O)c1ccc(Br)c(F)c1 ZINC000331287365 565751636 /nfs/dbraw/zinc/75/16/36/565751636.db2.gz MPYACHNSWHQYKK-ABAIWWIYSA-N -1 3 394.306 3.198 10 0 GGAEHM O=S(=O)([N-]CCC[C@H]1CCCC[C@H]1O)c1ccc(Br)c(F)c1 ZINC000331287366 565751884 /nfs/dbraw/zinc/75/18/84/565751884.db2.gz MPYACHNSWHQYKK-IAQYHMDHSA-N -1 3 394.306 3.198 10 0 GGAEHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@H]1O)c1cc(F)ccc1Br ZINC000331296650 565753272 /nfs/dbraw/zinc/75/32/72/565753272.db2.gz TUVLKVCIUBKPFU-SMDDNHRTSA-N -1 3 394.306 3.198 10 0 GGAEHM O=S(=O)([N-]CCC[C@@H]1CCCC[C@@H]1O)c1cc(F)ccc1Br ZINC000331296648 565753340 /nfs/dbraw/zinc/75/33/40/565753340.db2.gz TUVLKVCIUBKPFU-FZMZJTMJSA-N -1 3 394.306 3.198 10 0 GGAEHM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000331293473 565753377 /nfs/dbraw/zinc/75/33/77/565753377.db2.gz XNMZNPRBKJVDNC-RISCZKNCSA-N -1 3 380.432 3.220 10 0 GGAEHM O=c1nc(CNC2(CO)CCSCC2)[n-]c2scc(-c3ccco3)c21 ZINC000411827239 565757583 /nfs/dbraw/zinc/75/75/83/565757583.db2.gz UAGQOXFWWKKFHO-UHFFFAOYSA-N -1 3 377.491 3.005 10 0 GGAEHM CCN1CCC[C@H]1CN(C)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000176316546 565764320 /nfs/dbraw/zinc/76/43/20/565764320.db2.gz SGXSWJWYYZDPME-NSHDSACASA-N -1 3 375.694 3.364 10 0 GGAEHM 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COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(CSC)c2)c(Cl)c1 ZINC000445719110 566306487 /nfs/dbraw/zinc/30/64/87/566306487.db2.gz ZJCRIOUYGMRZDH-UHFFFAOYSA-N -1 3 399.921 3.468 10 0 GGAEHM O=S(=O)([N-]C[C@H]1CC12CCSCC2)c1cccc(Br)c1F ZINC000420710795 566306448 /nfs/dbraw/zinc/30/64/48/566306448.db2.gz WJWXCPVSCLYOCQ-SNVBAGLBSA-N -1 3 394.331 3.400 10 0 GGAEHM O=S(=O)([N-]C[C@@H]1CC12CCSCC2)c1cccc(Br)c1F ZINC000420710794 566306654 /nfs/dbraw/zinc/30/66/54/566306654.db2.gz WJWXCPVSCLYOCQ-JTQLQIEISA-N -1 3 394.331 3.400 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]C[C@@H](n2cccn2)C(F)(F)F)c(Cl)cc1F ZINC000625329232 566306907 /nfs/dbraw/zinc/30/69/07/566306907.db2.gz BWPBLEWHXGUVAL-GFCCVEGCSA-N -1 3 385.770 3.066 10 0 GGAEHM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)no1 ZINC000420712408 566307237 /nfs/dbraw/zinc/30/72/37/566307237.db2.gz SHXQOHMHSRYZMJ-UHFFFAOYSA-N -1 3 395.815 3.100 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)c(Cl)c1 ZINC000445722166 566307287 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C[C@@](O)(C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C1CCCCC1 ZINC000420720741 566308579 /nfs/dbraw/zinc/30/85/79/566308579.db2.gz IEHHDIYBAPGJFX-MRXNPFEDSA-N -1 3 381.416 3.037 10 0 GGAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)s1 ZINC000535530698 566309809 /nfs/dbraw/zinc/30/98/09/566309809.db2.gz UWPVZFPPXOJBJC-GJZGRUSLSA-N -1 3 385.942 3.137 10 0 GGAEHM CO[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(F)(F)F ZINC000420726172 566309980 /nfs/dbraw/zinc/30/99/80/566309980.db2.gz NLSLTRXRTUDNDY-JTQLQIEISA-N -1 3 397.749 3.187 10 0 GGAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000535530700 566310057 /nfs/dbraw/zinc/31/00/57/566310057.db2.gz UWPVZFPPXOJBJC-HUUCEWRRSA-N -1 3 385.942 3.137 10 0 GGAEHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)CCO1 ZINC000420725046 566310152 /nfs/dbraw/zinc/31/01/52/566310152.db2.gz LOVIOFIBDGKQKM-UONOGXRCSA-N -1 3 399.310 3.233 10 0 GGAEHM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCO1 ZINC000420725446 566310188 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O=C(NCc1ncccc1[O-])N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000519851614 566974229 /nfs/dbraw/zinc/97/42/29/566974229.db2.gz OYXTXMSGRNVIHT-MQMHXKEQSA-N -1 3 376.254 3.295 10 0 GGAEHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)c1 ZINC000430000239 566974475 /nfs/dbraw/zinc/97/44/75/566974475.db2.gz HKMZRCLTLVLOTN-DZGCQCFKSA-N -1 3 382.279 3.292 10 0 GGAEHM CCC[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656921468 566974799 /nfs/dbraw/zinc/97/47/99/566974799.db2.gz BQPXAANLIHAVTR-JTQLQIEISA-N -1 3 384.723 3.180 10 0 GGAEHM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656924143 566975505 /nfs/dbraw/zinc/97/55/05/566975505.db2.gz KQACLVGHDYDQDV-BXKDBHETSA-N -1 3 384.723 3.178 10 0 GGAEHM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1cc(Br)ccc1Br ZINC000430046400 566977593 /nfs/dbraw/zinc/97/75/93/566977593.db2.gz OUXSFDUQFUULCO-GXSJLCMTSA-N -1 3 395.116 3.288 10 0 GGAEHM CC1(C[N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)CCOCC1 ZINC000656932909 566977998 /nfs/dbraw/zinc/97/79/98/566977998.db2.gz ZQXCYTRDMZCJKQ-UHFFFAOYSA-N -1 3 382.707 3.198 10 0 GGAEHM O=S(=O)([N-][C@@H]1CCOC2(CCC2)C1)c1cc(Cl)cc(Br)c1 ZINC000656937189 566978197 /nfs/dbraw/zinc/97/81/97/566978197.db2.gz FGAJGUDBSRQUIO-GFCCVEGCSA-N -1 3 394.718 3.483 10 0 GGAEHM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656934886 566978705 /nfs/dbraw/zinc/97/87/05/566978705.db2.gz NOIZXWLMJXTYHN-VHSXEESVSA-N -1 3 382.707 3.196 10 0 GGAEHM C[C@H](CC(F)(F)F)CS(=O)(=O)[N-][C@@H](C)c1noc(-c2ccccc2)n1 ZINC000656936283 566978902 /nfs/dbraw/zinc/97/89/02/566978902.db2.gz YDTZFMXWBBDKBM-MNOVXSKESA-N -1 3 377.388 3.306 10 0 GGAEHM COC[C@H](C)C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000519947949 566980542 /nfs/dbraw/zinc/98/05/42/566980542.db2.gz ZCJUKAINHDPUKA-MRVPVSSYSA-N -1 3 390.221 3.029 10 0 GGAEHM C[C@@H]1CC([N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)C[C@@H](C)O1 ZINC000656946697 566980850 /nfs/dbraw/zinc/98/08/50/566980850.db2.gz CFDAJMDIOZHSCQ-RKDXNWHRSA-N -1 3 382.707 3.337 10 0 GGAEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)c(C(=O)OC(C)C)c1)c1nccs1 ZINC000583774812 566982091 /nfs/dbraw/zinc/98/20/91/566982091.db2.gz JWZLVWKOWBFDBC-HNNXBMFYSA-N -1 3 382.507 3.446 10 0 GGAEHM O=S(=O)([N-]CCCCn1ccnc1)c1cc(Cl)cc(Br)c1 ZINC000656951998 566982679 /nfs/dbraw/zinc/98/26/79/566982679.db2.gz WLNRTHHWBQGYGJ-UHFFFAOYSA-N -1 3 392.706 3.058 10 0 GGAEHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)CCO1 ZINC000656950283 566982990 /nfs/dbraw/zinc/98/29/90/566982990.db2.gz DWXARMMDQLKRTA-ZJUUUORDSA-N -1 3 382.707 3.196 10 0 GGAEHM CC1(C)OCC[C@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000452470278 566984410 /nfs/dbraw/zinc/98/44/10/566984410.db2.gz RIXKXVQUOXPRKC-GFCCVEGCSA-N -1 3 399.672 3.241 10 0 GGAEHM CC1(C)OCC[C@H]1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000452470278 566984412 /nfs/dbraw/zinc/98/44/12/566984412.db2.gz RIXKXVQUOXPRKC-GFCCVEGCSA-N -1 3 399.672 3.241 10 0 GGAEHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)o2)cc1F ZINC000544712981 566984557 /nfs/dbraw/zinc/98/45/57/566984557.db2.gz CFUYFICDXYLRSF-QMMMGPOBSA-N -1 3 378.219 3.229 10 0 GGAEHM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000471904864 566984892 /nfs/dbraw/zinc/98/48/92/566984892.db2.gz HWLBAORNGSZCEC-UHFFFAOYSA-N -1 3 393.223 3.423 10 0 GGAEHM O=C(NCc1ccc([O-])c(Br)c1)[C@H]1COC[C@@H]1c1ccccc1 ZINC000612642878 566986015 /nfs/dbraw/zinc/98/60/15/566986015.db2.gz JAXFPKCBYHVTFR-CABCVRRESA-N -1 3 376.250 3.201 10 0 GGAEHM CC(C)n1ncnc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000564557556 566987227 /nfs/dbraw/zinc/98/72/27/566987227.db2.gz FXQNDJQUDFFZRH-UHFFFAOYSA-N -1 3 382.795 3.010 10 0 GGAEHM CCCSc1nc(=NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)s[n-]1 ZINC000471944070 566988443 /nfs/dbraw/zinc/98/84/43/566988443.db2.gz PYBREBMLNAYZBP-KBPBESRZSA-N -1 3 377.539 3.029 10 0 GGAEHM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)O1 ZINC000494325736 566989052 /nfs/dbraw/zinc/98/90/52/566989052.db2.gz FTPYBRIUNOXYQW-SNVBAGLBSA-N -1 3 382.707 3.338 10 0 GGAEHM O=S(=O)([N-]CCCOC(F)F)c1cc(Cl)cc(Br)c1 ZINC000656983786 566991339 /nfs/dbraw/zinc/99/13/39/566991339.db2.gz VIIRERPRPVQUOG-UHFFFAOYSA-N -1 3 378.622 3.010 10 0 GGAEHM O=C(NCc1ncccc1[O-])NCC1(c2ccccc2Br)CC1 ZINC000471997416 566993625 /nfs/dbraw/zinc/99/36/25/566993625.db2.gz DQHIWDYFJYGXCL-UHFFFAOYSA-N -1 3 376.254 3.081 10 0 GGAEHM CO[C@@H](CS(=O)(=O)[N-]C(C)(C)c1cc(C(F)(F)F)on1)C1CCCC1 ZINC000656995942 566993824 /nfs/dbraw/zinc/99/38/24/566993824.db2.gz WVZHVBOEYZDWRN-NSHDSACASA-N -1 3 384.420 3.053 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000452587323 566994117 /nfs/dbraw/zinc/99/41/17/566994117.db2.gz LVDADVUATUMNNZ-BZUAXINKSA-N -1 3 382.298 3.239 10 0 GGAEHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-]Cc1nnc(C2CC2)s1 ZINC000564642897 566994296 /nfs/dbraw/zinc/99/42/96/566994296.db2.gz JSZWAMSPKHHEGR-UHFFFAOYSA-N -1 3 378.306 3.342 10 0 GGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(F)c(Br)cc1Cl ZINC000583906796 566994742 /nfs/dbraw/zinc/99/47/42/566994742.db2.gz KGHOQBXNEXQHFX-LBPRGKRZSA-N -1 3 388.624 3.490 10 0 GGAEHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@H]2CCCC23CC3)cc(C(F)(F)F)c1 ZINC000633778112 566994904 /nfs/dbraw/zinc/99/49/04/566994904.db2.gz KRHJXCYNGUOWCZ-ZDUSSCGKSA-N -1 3 376.400 3.139 10 0 GGAEHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)[C@@H](C)O1 ZINC000657013095 566997080 /nfs/dbraw/zinc/99/70/80/566997080.db2.gz PBANNZWJILKBLE-BBBLOLIVSA-N -1 3 382.707 3.194 10 0 GGAEHM CC[C@H](Cc1ccccc1Br)NC(=O)NCc1ncccc1[O-] ZINC000472069224 566998360 /nfs/dbraw/zinc/99/83/60/566998360.db2.gz ILOROMSFKYGOBN-CYBMUJFWSA-N -1 3 378.270 3.370 10 0 GGAEHM O=S(=O)([N-]CCCC1(O)CCC1)c1cc(Cl)cc(Br)c1 ZINC000657018010 566999142 /nfs/dbraw/zinc/99/91/42/566999142.db2.gz VWXVCXDLIDHDKZ-UHFFFAOYSA-N -1 3 382.707 3.076 10 0 GGAEHM O=C(C[N-]S(=O)(=O)Cc1cc(F)ccc1Cl)C1CCC(F)(F)CC1 ZINC000657018904 566999577 /nfs/dbraw/zinc/99/95/77/566999577.db2.gz UPXKGEMJEGVKHE-UHFFFAOYSA-N -1 3 383.819 3.293 10 0 GGAEHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)CCO1 ZINC000657017290 566999880 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GGAEHM CC(C)(C)N1CC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000657034046 567003426 /nfs/dbraw/zinc/00/34/26/567003426.db2.gz IYELISNZSKOFCQ-SNVBAGLBSA-N -1 3 395.750 3.254 10 0 GGAEHM CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NCc1ncccc1[O-] ZINC000472122756 567003743 /nfs/dbraw/zinc/00/37/43/567003743.db2.gz SKDGZUFPRWOJOS-ZBEGNZNMSA-N -1 3 394.269 3.125 10 0 GGAEHM CCOc1cc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)cc(Br)c1[O-] ZINC000584028843 567005097 /nfs/dbraw/zinc/00/50/97/567005097.db2.gz HKASYFGNRIWCIY-WOSRLPQWSA-N -1 3 398.297 3.327 10 0 GGAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CCCC23CCCCC3)s1 ZINC000657040864 567005241 /nfs/dbraw/zinc/00/52/41/567005241.db2.gz SXSSTFSDZTTXLD-INIZCTEOSA-N -1 3 384.567 3.208 10 0 GGAEHM COC[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C1CCOCC1 ZINC000657059256 567006867 /nfs/dbraw/zinc/00/68/67/567006867.db2.gz CKMZOZFNZNDZOA-AWEZNQCLSA-N -1 3 389.926 3.275 10 0 GGAEHM O=C(NCc1ncccc1[O-])N[C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000520484127 567007993 /nfs/dbraw/zinc/00/79/93/567007993.db2.gz RTQPMBPQBAZOJJ-HAQNSBGRSA-N -1 3 394.244 3.434 10 0 GGAEHM O=S(=O)([N-]C[C@H]1CCn2ccnc2C1)c1cc(C(F)(F)F)ccc1Cl ZINC000681820486 567008247 /nfs/dbraw/zinc/00/82/47/567008247.db2.gz KPUIVVGERVIFJG-JTQLQIEISA-N -1 3 393.818 3.096 10 0 GGAEHM COC[C@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C1CCOCC1 ZINC000657059764 567008408 /nfs/dbraw/zinc/00/84/08/567008408.db2.gz KXBWDSMFQIKSII-AWEZNQCLSA-N -1 3 396.336 3.330 10 0 GGAEHM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000657062724 567009121 /nfs/dbraw/zinc/00/91/21/567009121.db2.gz SEUXJFCNEJZDJZ-JTQLQIEISA-N -1 3 395.750 3.254 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)sc1Br ZINC000544940720 567009207 /nfs/dbraw/zinc/00/92/07/567009207.db2.gz QAIAOOFPEHUPDT-JGPRNRPPSA-N -1 3 382.345 3.301 10 0 GGAEHM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C1CCOCC1 ZINC000657061161 567009218 /nfs/dbraw/zinc/00/92/18/567009218.db2.gz UMGAOTVNXIXWTO-CYBMUJFWSA-N -1 3 382.309 3.022 10 0 GGAEHM 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O=S(=O)([N-]C1(c2nccs2)CCCC1)c1cnccc1C(F)(F)F ZINC000682369289 567039280 /nfs/dbraw/zinc/03/92/80/567039280.db2.gz SONQQSGZXRIPCF-UHFFFAOYSA-N -1 3 377.413 3.305 10 0 GGAEHM O=S(=O)([N-][C@@H]1COc2c1cccc2Cl)c1cnccc1C(F)(F)F ZINC000682369721 567039347 /nfs/dbraw/zinc/03/93/47/567039347.db2.gz HHMIGWOGLVVCDS-LLVKDONJSA-N -1 3 378.759 3.166 10 0 GGAEHM CO[C@@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccccc1Cl ZINC000682371288 567039409 /nfs/dbraw/zinc/03/94/09/567039409.db2.gz RWGHCJXDYLOULX-ZDUSSCGKSA-N -1 3 394.802 3.420 10 0 GGAEHM O=S(=O)([N-]CC1CC(c2ccccc2)C1)c1cncc(Br)c1 ZINC000584398197 567039690 /nfs/dbraw/zinc/03/96/90/567039690.db2.gz OPMFPXDJBSFETN-UHFFFAOYSA-N -1 3 381.295 3.316 10 0 GGAEHM O=C1C[C@@]2(CCSC2)C(=O)[N-]N1c1nc2cc(C(F)(F)F)ccc2s1 ZINC000634614145 567039855 /nfs/dbraw/zinc/03/98/55/567039855.db2.gz TVKHKWKCNQUJPZ-CQSZACIVSA-N -1 3 387.408 3.206 10 0 GGAEHM O=C(CCn1cc(Br)cn1)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000682389031 567041264 /nfs/dbraw/zinc/04/12/64/567041264.db2.gz RFLVFNJEJZAAFT-UHFFFAOYSA-N -1 3 394.147 3.279 10 0 GGAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1Cl ZINC000584421769 567042265 /nfs/dbraw/zinc/04/22/65/567042265.db2.gz CNWWNQYGGYPNBD-GXTWGEPZSA-N -1 3 383.853 3.171 10 0 GGAEHM CCCn1c(=O)[n-]nc1SCc1c(Br)cccc1C(=O)OC ZINC000430986968 567043906 /nfs/dbraw/zinc/04/39/06/567043906.db2.gz FWSPXKFDSKGLEM-UHFFFAOYSA-N -1 3 386.271 3.235 10 0 GGAEHM O=S(=O)([N-][C@@H](CO)c1ccsc1)c1ccc(Br)cc1Cl ZINC000472691758 567046345 /nfs/dbraw/zinc/04/63/45/567046345.db2.gz JHFDASORFMDKLB-NSHDSACASA-N -1 3 396.715 3.176 10 0 GGAEHM O=S(=O)([N-][C@H](CO)c1ccsc1)c1cc(C(F)(F)F)ccc1Cl ZINC000472708314 567047872 /nfs/dbraw/zinc/04/78/72/567047872.db2.gz VMPGGTMKCUDOCK-LLVKDONJSA-N -1 3 385.816 3.432 10 0 GGAEHM Cc1ccc(C(=O)NCC(=O)Nc2ccc(Br)cc2[O-])cc1C ZINC000613706020 567057348 /nfs/dbraw/zinc/05/73/48/567057348.db2.gz ZXUWOVIVNXTCPV-UHFFFAOYSA-N -1 3 377.238 3.140 10 0 GGAEHM O=C(c1sccc1S(=O)(=O)[N-]C1CCCCCC1)N1CCCCCO1 ZINC000473042153 567061982 /nfs/dbraw/zinc/06/19/82/567061982.db2.gz BAXBOPVMSQRRHJ-UHFFFAOYSA-N -1 3 386.539 3.307 10 0 GGAEHM Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N=c1[n-]n(C)cc1Br ZINC000565366031 567062120 /nfs/dbraw/zinc/06/21/20/567062120.db2.gz ZFCQRGPDEIENMK-UHFFFAOYSA-N -1 3 399.314 3.211 10 0 GGAEHM COc1ccc(CN2CCN(c3ccccc3)CC2)c(Br)c1[O-] ZINC000545560685 567063063 /nfs/dbraw/zinc/06/30/63/567063063.db2.gz DPAHJZXVKDZORO-UHFFFAOYSA-N -1 3 377.282 3.486 10 0 GGAEHM COc1ccc(CN2CCO[C@@H](c3cccc(O)c3)C2)c(Br)c1[O-] ZINC000545559880 567063403 /nfs/dbraw/zinc/06/34/03/567063403.db2.gz FYJPFZZWKHDPGJ-MRXNPFEDSA-N -1 3 394.265 3.442 10 0 GGAEHM O=C(Nc1cc(I)ccc1[O-])c1cc(=O)[nH]c(C2CC2)c1 ZINC000613807240 567064461 /nfs/dbraw/zinc/06/44/61/567064461.db2.gz QBBRWIODTFVWKB-UHFFFAOYSA-N -1 3 396.184 3.227 10 0 GGAEHM COc1cc(=NC(=O)c2c(C)onc2-c2ccc(Cl)cc2Cl)[n-]n1C ZINC000521529463 567064792 /nfs/dbraw/zinc/06/47/92/567064792.db2.gz IQZTVBCGMBYPAE-UHFFFAOYSA-N -1 3 381.219 3.373 10 0 GGAEHM C[N-]S(=O)(=O)c1cc(NC(=O)Cc2csc3ccccc23)ccc1F ZINC000565436973 567067467 /nfs/dbraw/zinc/06/74/67/567067467.db2.gz BMHNSRKCSTYFKD-UHFFFAOYSA-N -1 3 378.450 3.130 10 0 GGAEHM CC[C@H](NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C(F)(F)F ZINC000473214078 567068514 /nfs/dbraw/zinc/06/85/14/567068514.db2.gz HZPQYDJZPIDPGD-JTQLQIEISA-N -1 3 392.321 3.148 10 0 GGAEHM CN(C)[C@@H](CNC(=O)Cc1ccc(Br)cc1[O-])c1ccc(F)cc1 ZINC000431323433 567075175 /nfs/dbraw/zinc/07/51/75/567075175.db2.gz MQRLKSUNFJDRQY-INIZCTEOSA-N -1 3 395.272 3.255 10 0 GGAEHM COCCOc1cccc(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000431327141 567075188 /nfs/dbraw/zinc/07/51/88/567075188.db2.gz QBCIRULMBOUFPD-UHFFFAOYSA-N -1 3 380.238 3.361 10 0 GGAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000496633185 567077860 /nfs/dbraw/zinc/07/78/60/567077860.db2.gz RODVVAOFVGRRON-OAHLLOKOSA-N -1 3 378.881 3.341 10 0 GGAEHM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)cc1 ZINC000565576524 567079534 /nfs/dbraw/zinc/07/95/34/567079534.db2.gz ZKLHHALUSVLKEB-UHFFFAOYSA-N -1 3 381.837 3.059 10 0 GGAEHM CN(CCCNC(=O)Cc1ccc(Br)cc1[O-])c1ccccc1F ZINC000431404314 567080321 /nfs/dbraw/zinc/08/03/21/567080321.db2.gz UBLQBKYRXLXZJU-UHFFFAOYSA-N -1 3 395.272 3.479 10 0 GGAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000497093296 567084958 /nfs/dbraw/zinc/08/49/58/567084958.db2.gz BQPHFWOOXMRGHL-JSGCOSHPSA-N -1 3 398.937 3.084 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000497093640 567085467 /nfs/dbraw/zinc/08/54/67/567085467.db2.gz BQPHFWOOXMRGHL-TZMCWYRMSA-N -1 3 398.937 3.084 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccn3)C2)c(Cl)cc1F ZINC000565697746 567091256 /nfs/dbraw/zinc/09/12/56/567091256.db2.gz CQYOKDLBLRBGQM-MLGOLLRUSA-N -1 3 384.860 3.381 10 0 GGAEHM O=C(CCN1CCC(c2n[nH]c(=O)[n-]2)CC1)Nc1c(Cl)cccc1Cl ZINC000565702852 567091745 /nfs/dbraw/zinc/09/17/45/567091745.db2.gz IQJMBWDTAOEGGT-UHFFFAOYSA-N -1 3 384.267 3.025 10 0 GGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1CCc2cc(Br)ccc21 ZINC000565719766 567092848 /nfs/dbraw/zinc/09/28/48/567092848.db2.gz ZMALWIXMYADWLN-HIFRSBDPSA-N -1 3 376.254 3.114 10 0 GGAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)[C@@H]1CCc2cc(Br)ccc21 ZINC000565719767 567093355 /nfs/dbraw/zinc/09/33/55/567093355.db2.gz ZMALWIXMYADWLN-UKRRQHHQSA-N -1 3 376.254 3.114 10 0 GGAEHM O=C(NCc1ncccc1[O-])[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000473638041 567093391 /nfs/dbraw/zinc/09/33/91/567093391.db2.gz LSFBBMAJXHFLAO-KRWDZBQOSA-N -1 3 390.281 3.003 10 0 GGAEHM O=C(NCc1ncccc1[O-])c1ccc(Br)cc1Br ZINC000473636659 567093734 /nfs/dbraw/zinc/09/37/34/567093734.db2.gz GKVLMCGUHYJKHZ-UHFFFAOYSA-N -1 3 386.043 3.242 10 0 GGAEHM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C(C)(C)C ZINC000431593832 567094563 /nfs/dbraw/zinc/09/45/63/567094563.db2.gz CNPVPNBLBGLUDF-UHFFFAOYSA-N -1 3 390.933 3.153 10 0 GGAEHM Cc1onc(-c2cccc(Br)c2)c1C(=O)NCc1ncccc1[O-] ZINC000473640463 567095488 /nfs/dbraw/zinc/09/54/88/567095488.db2.gz SDSQTJDVMUXTAF-UHFFFAOYSA-N -1 3 388.221 3.443 10 0 GGAEHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)(C)C(C)(C)C)cc1F ZINC000431604584 567095772 /nfs/dbraw/zinc/09/57/72/567095772.db2.gz OTWPNQZXGRYQQT-UHFFFAOYSA-N -1 3 394.534 3.080 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ncc(Br)cn1 ZINC000431620188 567096197 /nfs/dbraw/zinc/09/61/97/567096197.db2.gz IRADAVNLITXKID-SSDOTTSWSA-N -1 3 394.653 3.071 10 0 GGAEHM O=S(=O)([N-][C@H](c1ccccc1)C(F)F)c1cc2c(cc1Cl)OCCO2 ZINC000431634716 567097546 /nfs/dbraw/zinc/09/75/46/567097546.db2.gz HQUQFZJKYCPGAF-OAHLLOKOSA-N -1 3 389.807 3.396 10 0 GGAEHM CCOC1(C(=O)Nc2cc(I)ccc2[O-])CCCC1 ZINC000586801926 567098419 /nfs/dbraw/zinc/09/84/19/567098419.db2.gz GFCGMKTUBGZIKG-UHFFFAOYSA-N -1 3 375.206 3.285 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])Nc1cccc(C(=O)NC2CC2)c1 ZINC000431684212 567100878 /nfs/dbraw/zinc/10/08/78/567100878.db2.gz DSJZRRAYXBFWPB-UHFFFAOYSA-N -1 3 389.249 3.228 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]C(C)(C)c1ccc(C)nc1 ZINC000546076513 567103633 /nfs/dbraw/zinc/10/36/33/567103633.db2.gz XLRZPXGHNBFPLZ-UHFFFAOYSA-N -1 3 399.310 3.375 10 0 GGAEHM Cc1ccsc1-c1nc(=NC(=O)NCCN2[C@H](C)CCC[C@@H]2C)s[n-]1 ZINC000473819122 567105207 /nfs/dbraw/zinc/10/52/07/567105207.db2.gz MYANGDLUVZEPOV-BETUJISGSA-N -1 3 379.555 3.381 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCc1cn2cc(Cl)ccc2n1 ZINC000431744476 567105499 /nfs/dbraw/zinc/10/54/99/567105499.db2.gz MNSJAMKGFTZENV-UHFFFAOYSA-N -1 3 394.656 3.315 10 0 GGAEHM Cc1cc(Br)ccc1SCC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473847238 567107240 /nfs/dbraw/zinc/10/72/40/567107240.db2.gz CPONHIQHOREWHZ-ZDUSSCGKSA-N -1 3 396.310 3.485 10 0 GGAEHM COc1cc(Br)ccc1CCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473855773 567108330 /nfs/dbraw/zinc/10/83/30/567108330.db2.gz JVWGOVHNXINOSG-CQSZACIVSA-N -1 3 394.269 3.026 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCCCN1CCc2ccccc21 ZINC000431798127 567109262 /nfs/dbraw/zinc/10/92/62/567109262.db2.gz YMXOBADFDWVZAH-UHFFFAOYSA-N -1 3 389.293 3.266 10 0 GGAEHM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473860645 567109454 /nfs/dbraw/zinc/10/94/54/567109454.db2.gz YYLDNZQKWUJJLX-ZUZCIYMTSA-N -1 3 396.260 3.402 10 0 GGAEHM CS(=O)(=O)c1ccc(C(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)o1 ZINC000497559476 567109817 /nfs/dbraw/zinc/10/98/17/567109817.db2.gz IABNNQGNKNDIGB-UHFFFAOYSA-N -1 3 380.422 3.122 10 0 GGAEHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2ncc(Br)s2)c1O ZINC000588095683 567113693 /nfs/dbraw/zinc/11/36/93/567113693.db2.gz CBMYCSKXTMDNLA-UHFFFAOYSA-N -1 3 391.630 3.304 10 0 GGAEHM COc1cc(CN(C)C(=O)Cc2ccc(Br)cc2[O-])cc(OC)c1 ZINC000431888431 567113976 /nfs/dbraw/zinc/11/39/76/567113976.db2.gz WLTVYOUDKOIGFJ-UHFFFAOYSA-N -1 3 394.265 3.373 10 0 GGAEHM CCOc1cc(CNCc2cnc3n2CCCC3)cc(Br)c1[O-] ZINC000565996109 567118301 /nfs/dbraw/zinc/11/83/01/567118301.db2.gz GTYPFQOVMBVPNO-UHFFFAOYSA-N -1 3 380.286 3.376 10 0 GGAEHM CCn1cnc(S(=O)(=O)[N-]C2(c3ccc(Br)cc3)CCC2)c1 ZINC000474033920 567125412 /nfs/dbraw/zinc/12/54/12/567125412.db2.gz MIYNDJLTULYMOM-UHFFFAOYSA-N -1 3 384.299 3.023 10 0 GGAEHM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000614606705 567126088 /nfs/dbraw/zinc/12/60/88/567126088.db2.gz ICXOTISDVYGKTH-UHFFFAOYSA-N -1 3 376.309 3.173 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](SC)C2)c(Cl)c1 ZINC000522716560 567126034 /nfs/dbraw/zinc/12/60/34/567126034.db2.gz JPDXXQWPXDVRTP-NEPJUHHUSA-N -1 3 377.915 3.079 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](SC)C2)c(Cl)c1 ZINC000522716562 567127117 /nfs/dbraw/zinc/12/71/17/567127117.db2.gz JPDXXQWPXDVRTP-RYUDHWBXSA-N -1 3 377.915 3.079 10 0 GGAEHM CN(C)C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000614632826 567127670 /nfs/dbraw/zinc/12/76/70/567127670.db2.gz FOYRSVFPSPPRBI-CQSZACIVSA-N -1 3 387.332 3.445 10 0 GGAEHM CN(C)C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000614633709 567127846 /nfs/dbraw/zinc/12/78/46/567127846.db2.gz QXUIZBKNAACVOV-AWEZNQCLSA-N -1 3 387.332 3.445 10 0 GGAEHM O=C(Nc1cc(I)ccc1[O-])c1ccc2oc(=O)[nH]c2c1 ZINC000588351909 567128371 /nfs/dbraw/zinc/12/83/71/567128371.db2.gz NKVUXMRBKROACR-UHFFFAOYSA-N -1 3 396.140 3.096 10 0 GGAEHM CN(C)C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000614633710 567128413 /nfs/dbraw/zinc/12/84/13/567128413.db2.gz QXUIZBKNAACVOV-CQSZACIVSA-N -1 3 387.332 3.445 10 0 GGAEHM CCC1(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)CCC(F)(F)CC1 ZINC000614680803 567131508 /nfs/dbraw/zinc/13/15/08/567131508.db2.gz RRCORCBMJWQZJV-UHFFFAOYSA-N -1 3 378.416 3.278 10 0 GGAEHM Cc1nc(C(=O)[N-]c2ncn(Cc3ccc(Br)cc3)n2)sc1C ZINC000683542900 567131772 /nfs/dbraw/zinc/13/17/72/567131772.db2.gz CLWXWZRFTNHPPD-UHFFFAOYSA-N -1 3 392.282 3.415 10 0 GGAEHM CCn1cnc(S(=O)(=O)[N-]C2(c3cccc(Br)c3)CCC2)c1 ZINC000474095853 567131751 /nfs/dbraw/zinc/13/17/51/567131751.db2.gz LKDAVGACLIAMJI-UHFFFAOYSA-N -1 3 384.299 3.023 10 0 GGAEHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)o1 ZINC000588677469 567132190 /nfs/dbraw/zinc/13/21/90/567132190.db2.gz JDYISNSOTCFNJE-CMPLNLGQSA-N -1 3 383.853 3.306 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1nc([C@H]2CCO[C@H](C)C2)no1 ZINC000546512709 567133402 /nfs/dbraw/zinc/13/34/02/567133402.db2.gz SPONTIHCMIWWNM-UTUOFQBUSA-N -1 3 385.873 3.045 10 0 GGAEHM CC1=CCN(CCNC(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)CC1 ZINC000546584468 567139369 /nfs/dbraw/zinc/13/93/69/567139369.db2.gz XHCYRESUNQVKFQ-UHFFFAOYSA-N -1 3 377.901 3.054 10 0 GGAEHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2cccc(C(F)(F)F)n2)cc1F ZINC000432256096 567140544 /nfs/dbraw/zinc/14/05/44/567140544.db2.gz BHUBWEZUJXDQFR-UHFFFAOYSA-N -1 3 380.338 3.208 10 0 GGAEHM C[C@@H](NC(=O)c1ccsc1Br)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614816634 567141708 /nfs/dbraw/zinc/14/17/08/567141708.db2.gz HZHWARZKFHKNFP-RKDXNWHRSA-N -1 3 398.282 3.004 10 0 GGAEHM C[C@@H](NC(=O)c1ccsc1Br)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614816632 567141879 /nfs/dbraw/zinc/14/18/79/567141879.db2.gz HZHWARZKFHKNFP-DTWKUNHWSA-N -1 3 398.282 3.004 10 0 GGAEHM COC1CCC(C(=O)Nc2cc(I)ccc2[O-])CC1 ZINC000614860547 567142858 /nfs/dbraw/zinc/14/28/58/567142858.db2.gz XGRFLDHATUQQHD-UHFFFAOYSA-N -1 3 375.206 3.141 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCO[C@H](Cc2ccccc2)C1 ZINC000498025210 567143725 /nfs/dbraw/zinc/14/37/25/567143725.db2.gz INDROHCOECSRBC-QGZVFWFLSA-N -1 3 390.277 3.167 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCO[C@@H](Cc2ccccc2)C1 ZINC000498025209 567144130 /nfs/dbraw/zinc/14/41/30/567144130.db2.gz INDROHCOECSRBC-KRWDZBQOSA-N -1 3 390.277 3.167 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N[C@H]1CCc2cc(O)ccc2C1 ZINC000683691820 567144803 /nfs/dbraw/zinc/14/48/03/567144803.db2.gz ARWIKSACUSXQHT-HNNXBMFYSA-N -1 3 376.250 3.077 10 0 GGAEHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cccc(C(F)(F)F)n2)c1 ZINC000432281277 567145858 /nfs/dbraw/zinc/14/58/58/567145858.db2.gz CWSUCBZSSFJYHC-UHFFFAOYSA-N -1 3 394.802 3.283 10 0 GGAEHM CC(C)(C)OC(=O)CCCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000614921995 567146490 /nfs/dbraw/zinc/14/64/90/567146490.db2.gz 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GGAEHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)[N-]c1nc2ccc(Cl)cn2n1 ZINC000566664882 567178659 /nfs/dbraw/zinc/17/86/59/567178659.db2.gz WNSZEOAOQYZPFE-SNVBAGLBSA-N -1 3 377.857 3.294 10 0 GGAEHM Cc1nc(CS(=O)(=O)[N-][C@H]2CCCc3cn(C4CCCC4)nc32)cs1 ZINC000684107372 567179443 /nfs/dbraw/zinc/17/94/43/567179443.db2.gz YQHVRUMEWKVPBU-INIZCTEOSA-N -1 3 380.539 3.260 10 0 GGAEHM COc1cc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)ccc1Br ZINC000432778620 567190527 /nfs/dbraw/zinc/19/05/27/567190527.db2.gz FOUVNMLYHKWSLE-UHFFFAOYSA-N -1 3 385.283 3.325 10 0 GGAEHM COc1cc(CNCc2nn(C)c3ccccc23)cc(Br)c1[O-] ZINC000589650771 567190993 /nfs/dbraw/zinc/19/09/93/567190993.db2.gz LHHVDJBHQVQHNJ-UHFFFAOYSA-N -1 3 376.254 3.340 10 0 GGAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)NC(C)(C)C(F)F)ccc1F ZINC000684231071 567191109 /nfs/dbraw/zinc/19/11/09/567191109.db2.gz NUHYZJQSAUQLBO-UHFFFAOYSA-N -1 3 381.420 3.068 10 0 GGAEHM O=C(N=c1[n-]n(CC(F)(F)F)cc1Br)[C@@H]1C[C@H]1c1ccsc1 ZINC000637367504 567191875 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Cc1ccnc([C@H]2CCN(C(=O)Cc3ccc(Br)cc3[O-])C2)c1 ZINC000566984087 567207408 /nfs/dbraw/zinc/20/74/08/567207408.db2.gz WGVBDEDTBROICD-AWEZNQCLSA-N -1 3 375.266 3.417 10 0 GGAEHM COc1ccc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)cc1F ZINC000432946096 567208249 /nfs/dbraw/zinc/20/82/49/567208249.db2.gz AWQBXKAPYWDWSC-AWEZNQCLSA-N -1 3 381.322 3.397 10 0 GGAEHM COC(=O)c1cnc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)c(Cl)c1 ZINC000567005633 567209550 /nfs/dbraw/zinc/20/95/50/567209550.db2.gz BTQUPIKBCKQERO-UHFFFAOYSA-N -1 3 393.223 3.256 10 0 GGAEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)C1(c2ccc(Br)cc2)CC1 ZINC000590312903 567218901 /nfs/dbraw/zinc/21/89/01/567218901.db2.gz QTPLVPVUEPNJFX-UHFFFAOYSA-N -1 3 383.249 3.326 10 0 GGAEHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc3[nH]ccc3s2)cc1OC ZINC000475013982 567219334 /nfs/dbraw/zinc/21/93/34/567219334.db2.gz ONUSDUQLIZUFDP-UHFFFAOYSA-N -1 3 379.463 3.252 10 0 GGAEHM CC(C)(C)c1n[nH]cc1C(=O)Nc1cc(I)ccc1[O-] ZINC000590316445 567219433 /nfs/dbraw/zinc/21/94/33/567219433.db2.gz VQXLPXKWKJCIAD-UHFFFAOYSA-N -1 3 385.205 3.270 10 0 GGAEHM CC(C)(C)c1[nH]ncc1C(=O)Nc1cc(I)ccc1[O-] ZINC000590316445 567219438 /nfs/dbraw/zinc/21/94/38/567219438.db2.gz VQXLPXKWKJCIAD-UHFFFAOYSA-N -1 3 385.205 3.270 10 0 GGAEHM CO[C@H]1CCCC[C@H]1C(=O)Nc1cc(I)ccc1[O-] ZINC000590316373 567219493 /nfs/dbraw/zinc/21/94/93/567219493.db2.gz PSZSVNOKMQIGPQ-MFKMUULPSA-N -1 3 375.206 3.141 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCc1nc(-c2cccs2)no1 ZINC000433088074 567221152 /nfs/dbraw/zinc/22/11/52/567221152.db2.gz BVWWKPHQAHZUOH-UHFFFAOYSA-N -1 3 394.250 3.125 10 0 GGAEHM COCC[C@@H](Cc1ccco1)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000499117609 567226131 /nfs/dbraw/zinc/22/61/31/567226131.db2.gz MUOZOQWOYQWEEI-AWEZNQCLSA-N -1 3 382.254 3.054 10 0 GGAEHM O=C(Nc1ccccc1)C1([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000567215836 567227845 /nfs/dbraw/zinc/22/78/45/567227845.db2.gz NCWZACJBZDOHAH-UHFFFAOYSA-N -1 3 390.408 3.217 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCCCC[C@@H]1c1ncon1 ZINC000499188373 567228901 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Brc1cccc(-c2nnc(-c3noc(C=Cc4cnccn4)n3)[n-]2)c1 ZINC000567242449 567229837 /nfs/dbraw/zinc/22/98/37/567229837.db2.gz CBAYOYUUJDXFPA-PLNGDYQASA-N -1 3 396.208 3.245 10 0 GGAEHM Brc1cccc(-c2n[n-]c(-c3noc(C=Cc4cnccn4)n3)n2)c1 ZINC000567242449 567229840 /nfs/dbraw/zinc/22/98/40/567229840.db2.gz CBAYOYUUJDXFPA-PLNGDYQASA-N -1 3 396.208 3.245 10 0 GGAEHM Brc1cccc(-c2nc(-c3noc(C=Cc4cnccn4)n3)n[n-]2)c1 ZINC000567242449 567229846 /nfs/dbraw/zinc/22/98/46/567229846.db2.gz CBAYOYUUJDXFPA-PLNGDYQASA-N -1 3 396.208 3.245 10 0 GGAEHM O=C(Nc1cc(I)ccc1[O-])[C@@H]1CC(=O)c2ccccc21 ZINC000616170246 567231450 /nfs/dbraw/zinc/23/14/50/567231450.db2.gz JXMUVUIDTLLQLH-GFCCVEGCSA-N -1 3 393.180 3.306 10 0 GGAEHM O=C(Nc1cc(I)ccc1[O-])c1n[nH]c2c1CCCCC2 ZINC000616170249 567231663 /nfs/dbraw/zinc/23/16/63/567231663.db2.gz KCUIFAHFOXEDEW-UHFFFAOYSA-N -1 3 397.216 3.241 10 0 GGAEHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000567277892 567232902 /nfs/dbraw/zinc/23/29/02/567232902.db2.gz 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/nfs/dbraw/zinc/39/41/35/567394135.db2.gz IVSYTGXYOJHIPJ-ONGXEEELSA-N -1 3 382.379 3.000 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCO[C@@H](c2ccccc2)C1 ZINC000477418817 567394212 /nfs/dbraw/zinc/39/42/12/567394212.db2.gz KIHAJLXURWXVRB-QGZVFWFLSA-N -1 3 376.250 3.297 10 0 GGAEHM CCn1cnc(S(=O)(=O)[N-]c2c(F)cc(Br)cc2Cl)c1 ZINC000435903033 567394986 /nfs/dbraw/zinc/39/49/86/567394986.db2.gz RMTBLHMUJHHZME-UHFFFAOYSA-N -1 3 382.642 3.259 10 0 GGAEHM C[C@@H](F)CC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000549522439 567395165 /nfs/dbraw/zinc/39/51/65/567395165.db2.gz GUASDRVNFJSTLO-SSDOTTSWSA-N -1 3 389.084 3.238 10 0 GGAEHM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000618508187 567395768 /nfs/dbraw/zinc/39/57/68/567395768.db2.gz LJEYJBVMXFNPJT-MDZLAQPJSA-N -1 3 375.266 3.457 10 0 GGAEHM C[C@H](F)CC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000549522440 567395731 /nfs/dbraw/zinc/39/57/31/567395731.db2.gz GUASDRVNFJSTLO-ZETCQYMHSA-N -1 3 389.084 3.238 10 0 GGAEHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-][C@@H](CO)c1cccc(F)c1 ZINC000501538614 567396019 /nfs/dbraw/zinc/39/60/19/567396019.db2.gz RWEVZSVYAMEGSP-HNNXBMFYSA-N -1 3 378.252 3.286 10 0 GGAEHM CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)c1cccc([O-])c1 ZINC000435941404 567396803 /nfs/dbraw/zinc/39/68/03/567396803.db2.gz KDVGFSUYXHVEGZ-UHFFFAOYSA-N -1 3 387.237 3.008 10 0 GGAEHM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)c1nnc2ccccn21 ZINC000569373628 567399212 /nfs/dbraw/zinc/39/92/12/567399212.db2.gz OOUALQWLHSJWOJ-HNNXBMFYSA-N -1 3 382.848 3.197 10 0 GGAEHM CC1=C[C@H](C)CN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000436000126 567399914 /nfs/dbraw/zinc/39/99/14/567399914.db2.gz KYZWDFOUPNSSIC-NSHDSACASA-N -1 3 391.320 3.086 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCCCCNc1ccccn1 ZINC000477621187 567404772 /nfs/dbraw/zinc/40/47/72/567404772.db2.gz JWSJPSOBKCBNGV-UHFFFAOYSA-N -1 3 378.270 3.101 10 0 GGAEHM COc1cc(C(=O)NCc2sc(C)cc2Br)cc(OC)c1[O-] ZINC000618644779 567405098 /nfs/dbraw/zinc/40/50/98/567405098.db2.gz KKFWBMDJYAWQHY-UHFFFAOYSA-N -1 3 386.267 3.472 10 0 GGAEHM CCNC(=O)Nc1cccc(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000477620663 567405238 /nfs/dbraw/zinc/40/52/38/567405238.db2.gz ICBRHECFGIYUMU-UHFFFAOYSA-N -1 3 392.253 3.477 10 0 GGAEHM CCN(CC)[C@H](CNC(=O)Cc1ccc(Br)cc1[O-])c1ccco1 ZINC000477616856 567405293 /nfs/dbraw/zinc/40/52/93/567405293.db2.gz KPCUSUBESDGVTM-OAHLLOKOSA-N -1 3 395.297 3.490 10 0 GGAEHM CC[C@@H](Cc1ccc(Br)cc1)NC(=O)NCc1ncccc1[O-] ZINC000662044816 567405785 /nfs/dbraw/zinc/40/57/85/567405785.db2.gz QEVJOJFXVQLIEF-AWEZNQCLSA-N -1 3 378.270 3.370 10 0 GGAEHM CC[C@H](Cc1ccc(Br)cc1)NC(=O)NCc1ncccc1[O-] ZINC000662044819 567406337 /nfs/dbraw/zinc/40/63/37/567406337.db2.gz QEVJOJFXVQLIEF-CQSZACIVSA-N -1 3 378.270 3.370 10 0 GGAEHM CC(C)[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])c1nc(C2CC2)no1 ZINC000477625780 567406533 /nfs/dbraw/zinc/40/65/33/567406533.db2.gz KHMIBPVACTYBDI-OAHLLOKOSA-N -1 3 394.269 3.471 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C[C@@H]1CC1(Cl)Cl ZINC000528297971 567408601 /nfs/dbraw/zinc/40/86/01/567408601.db2.gz BSPSDKUOUROLGZ-ZETCQYMHSA-N -1 3 394.198 3.066 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CCc1ccc(C)o1 ZINC000528301356 567408691 /nfs/dbraw/zinc/40/86/91/567408691.db2.gz KMOAILZUESBZFY-UHFFFAOYSA-N -1 3 379.356 3.016 10 0 GGAEHM COC(=O)Cc1cccc(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000477702658 567410249 /nfs/dbraw/zinc/41/02/49/567410249.db2.gz NLGGRGLJBVLXAY-UHFFFAOYSA-N -1 3 378.222 3.051 10 0 GGAEHM COC(=O)C1([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)CCCCC1 ZINC000501882477 567411133 /nfs/dbraw/zinc/41/11/33/567411133.db2.gz SYWDWCDQRMZISK-UHFFFAOYSA-N -1 3 380.293 3.289 10 0 GGAEHM O=S(=O)([N-]C[C@@H]1SCCc2ccccc21)c1cccnc1C(F)(F)F ZINC000569518911 567411223 /nfs/dbraw/zinc/41/12/23/567411223.db2.gz LIBSUULZYZWDEB-ZDUSSCGKSA-N -1 3 388.436 3.409 10 0 GGAEHM CO[C@H](CS(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000528347304 567414141 /nfs/dbraw/zinc/41/41/41/567414141.db2.gz ZIFPCRPIODLQBX-NVXWUHKLSA-N -1 3 385.844 3.220 10 0 GGAEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000549864974 567415108 /nfs/dbraw/zinc/41/51/08/567415108.db2.gz MFRDNWCOZWKQEW-UHFFFAOYSA-N -1 3 393.690 3.440 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CCc1sccc1C ZINC000528356110 567415679 /nfs/dbraw/zinc/41/56/79/567415679.db2.gz BHKPJBLNQRANSI-UHFFFAOYSA-N -1 3 395.424 3.485 10 0 GGAEHM COc1ccc2c(c1)CCN(C(=O)Cc1ccc(Br)cc1[O-])C2 ZINC000618799962 567416669 /nfs/dbraw/zinc/41/66/69/567416669.db2.gz LJYIOEWDJIPMEO-UHFFFAOYSA-N -1 3 376.250 3.291 10 0 GGAEHM C[C@H](F)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000549915703 567417957 /nfs/dbraw/zinc/41/79/57/567417957.db2.gz VZHFUZMHHCLTQZ-GXTWGEPZSA-N -1 3 379.881 3.314 10 0 GGAEHM CC(C)CCc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)nc1 ZINC000456787626 567418336 /nfs/dbraw/zinc/41/83/36/567418336.db2.gz QOFCXEKQRUCZDW-ZDUSSCGKSA-N -1 3 381.523 3.037 10 0 GGAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000618852951 567418270 /nfs/dbraw/zinc/41/82/70/567418270.db2.gz XLBWGUUYECNGRK-ZDUSSCGKSA-N -1 3 376.503 3.403 10 0 GGAEHM O=S(=O)([N-][C@H](c1nccs1)C(F)(F)F)c1c[nH]c2nccc(Cl)c12 ZINC000549912229 567418248 /nfs/dbraw/zinc/41/82/48/567418248.db2.gz DQYMCOSQOQFUNU-SECBINFHSA-N -1 3 396.803 3.255 10 0 GGAEHM O=S(=O)([N-][C@H](c1nccs1)C(F)(F)F)c1cnc2[nH]ccc(Cl)c1-2 ZINC000549912229 567418252 /nfs/dbraw/zinc/41/82/52/567418252.db2.gz DQYMCOSQOQFUNU-SECBINFHSA-N -1 3 396.803 3.255 10 0 GGAEHM C[C@@H](F)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000549915712 567418482 /nfs/dbraw/zinc/41/84/82/567418482.db2.gz VZHFUZMHHCLTQZ-TZMCWYRMSA-N -1 3 379.881 3.314 10 0 GGAEHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c(Cl)cc21 ZINC000528392492 567418629 /nfs/dbraw/zinc/41/86/29/567418629.db2.gz SPBVFRDJWOJEQX-UHFFFAOYSA-N -1 3 398.834 3.116 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccco1 ZINC000528415995 567421827 /nfs/dbraw/zinc/42/18/27/567421827.db2.gz JPCJYNMPSUMSHQ-NXEZZACHSA-N -1 3 377.340 3.021 10 0 GGAEHM O=C(N=c1ccn(C2CCOCC2)[nH]1)c1cc2cc(Br)sc2[n-]1 ZINC000618903313 567421886 /nfs/dbraw/zinc/42/18/86/567421886.db2.gz IJEBQQVIONBOKF-UHFFFAOYSA-N -1 3 395.282 3.214 10 0 GGAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000502194026 567423158 /nfs/dbraw/zinc/42/31/58/567423158.db2.gz IFTFUYPDTUXKPO-GFCCVEGCSA-N -1 3 379.503 3.453 10 0 GGAEHM O=S(=O)([N-]CC[C@H]1CCCOC1)c1c(Cl)cccc1Br ZINC000528447736 567423389 /nfs/dbraw/zinc/42/33/89/567423389.db2.gz DOVJBTDQKVENRH-SNVBAGLBSA-N -1 3 382.707 3.198 10 0 GGAEHM O=S(=O)([N-]CC[C@H]1CCCOC1)c1ccc(Br)cc1Cl ZINC000528445399 567423631 /nfs/dbraw/zinc/42/36/31/567423631.db2.gz MCXDWQCTFNRWDL-SNVBAGLBSA-N -1 3 382.707 3.198 10 0 GGAEHM COC(=O)c1csc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)c1 ZINC000502208362 567424180 /nfs/dbraw/zinc/42/41/80/567424180.db2.gz PRFYJEBGHORDJS-UHFFFAOYSA-N -1 3 380.274 3.320 10 0 GGAEHM COC(=O)c1ccc(C[N-]S(=O)(=O)Cc2cc(Cl)sc2Cl)o1 ZINC000593547022 567424210 /nfs/dbraw/zinc/42/42/10/567424210.db2.gz QKTQQVPCWDZBEV-UHFFFAOYSA-N -1 3 384.262 3.054 10 0 GGAEHM CSCC1(CC(=O)Nc2cc(I)ccc2[O-])CC1 ZINC000593558501 567424509 /nfs/dbraw/zinc/42/45/09/567424509.db2.gz TWFUQYQBNBAJMX-UHFFFAOYSA-N -1 3 377.247 3.469 10 0 GGAEHM O=S(=O)([N-]CC[C@H]1CCCOC1)c1cc(Br)cc2cccnc21 ZINC000528453050 567424579 /nfs/dbraw/zinc/42/45/79/567424579.db2.gz YKEFEPKDMOTYLQ-GFCCVEGCSA-N -1 3 399.310 3.092 10 0 GGAEHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2ccccc2CC(C)C)s1 ZINC000528449747 567424760 /nfs/dbraw/zinc/42/47/60/567424760.db2.gz PVPLKPSMLMLYJM-UHFFFAOYSA-N -1 3 380.535 3.061 10 0 GGAEHM O=S(=O)([N-][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1cccnc1C(F)(F)F ZINC000528462262 567425984 /nfs/dbraw/zinc/42/59/84/567425984.db2.gz KEDHREIUCGXXIP-IACUBPJLSA-N -1 3 388.798 3.370 10 0 GGAEHM O=S(=O)([N-]C[C@H](n1cccn1)C(F)(F)F)c1cc(Cl)cc(Cl)c1 ZINC000528460895 567426133 /nfs/dbraw/zinc/42/61/33/567426133.db2.gz XMHIBBFQGMHTHT-NSHDSACASA-N -1 3 388.198 3.272 10 0 GGAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3[C@@H]4Cc5cc(Cl)ccc5[C@@H]43)cn21 ZINC000528459739 567426497 /nfs/dbraw/zinc/42/64/97/567426497.db2.gz BXGGABBPEYEOGV-CVDRPOFXSA-N -1 3 377.897 3.050 10 0 GGAEHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1cnccc1C(F)(F)F ZINC000528464489 567426508 /nfs/dbraw/zinc/42/65/08/567426508.db2.gz JHONTRAUTCCMST-BYCMXARLSA-N -1 3 388.798 3.370 10 0 GGAEHM O=S(=O)([N-]C[C@H]1CCN1C1CCCCC1)c1sccc1Br ZINC000528474909 567427543 /nfs/dbraw/zinc/42/75/43/567427543.db2.gz KCWVLXYZDYDZSL-GFCCVEGCSA-N -1 3 393.372 3.196 10 0 GGAEHM CCOc1ccncc1S(=O)(=O)[N-]C(C)(C)c1nc2ccccc2s1 ZINC000528470071 567427932 /nfs/dbraw/zinc/42/79/32/567427932.db2.gz LPCDPAGNKOEZEF-UHFFFAOYSA-N -1 3 377.491 3.304 10 0 GGAEHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C2CCC(C(F)F)CC2)c(F)c1 ZINC000593607898 567428476 /nfs/dbraw/zinc/42/84/76/567428476.db2.gz PQILFZKUWBDOCQ-UHFFFAOYSA-N -1 3 379.400 3.105 10 0 GGAEHM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000528484542 567429058 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COC[C@](C)([N-]S(=O)(=O)c1ccc(Br)cc1C)C(F)(F)F ZINC000479127251 567505971 /nfs/dbraw/zinc/50/59/71/567505971.db2.gz HAQYBTMTCZBJAA-NSHDSACASA-N -1 3 390.221 3.003 10 0 GGAEHM O=C([O-])C[C@@H](NCc1ccc(Cl)cc1Br)C1CCOCC1 ZINC000551420541 567505122 /nfs/dbraw/zinc/50/51/22/567505122.db2.gz GDBZFSUNEXYFLZ-CQSZACIVSA-N -1 3 376.678 3.462 10 0 GGAEHM O=S(=O)([N-]c1cccc(Cl)c1Br)c1cnc2n1CCC2 ZINC000479125457 567505789 /nfs/dbraw/zinc/50/57/89/567505789.db2.gz VLSIOWQOFGCLKQ-UHFFFAOYSA-N -1 3 376.663 3.046 10 0 GGAEHM COC(=O)CCCCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594745499 567506741 /nfs/dbraw/zinc/50/67/41/567506741.db2.gz SIXYBGUAPIGARR-UHFFFAOYSA-N -1 3 398.706 3.114 10 0 GGAEHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2csc(C(F)(F)F)n2)c1 ZINC000551458991 567507326 /nfs/dbraw/zinc/50/73/26/567507326.db2.gz AAZPBYPNEJFRDY-UHFFFAOYSA-N -1 3 384.788 3.471 10 0 GGAEHM COC[C@@](C)([N-]S(=O)(=O)c1ccc(C)c(Br)c1)C(F)(F)F ZINC000479142979 567507561 /nfs/dbraw/zinc/50/75/61/567507561.db2.gz 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CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)cn3c2)cc1Cl ZINC000479264261 567520283 /nfs/dbraw/zinc/52/02/83/567520283.db2.gz UMZDEYLCWWJDSD-UHFFFAOYSA-N -1 3 378.841 3.055 10 0 GGAEHM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000594862519 567522216 /nfs/dbraw/zinc/52/22/16/567522216.db2.gz MHGBJRVGGFBVJN-AWEZNQCLSA-N -1 3 386.272 3.180 10 0 GGAEHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1CCC2(CC2(F)F)CC1 ZINC000594870673 567522807 /nfs/dbraw/zinc/52/28/07/567522807.db2.gz NMJPDBKKPGAFOI-UHFFFAOYSA-N -1 3 393.839 3.373 10 0 GGAEHM CCCn1c(=O)[n-]nc1S[C@@H](C(=O)OC)c1ccccc1Br ZINC000594882379 567524134 /nfs/dbraw/zinc/52/41/34/567524134.db2.gz TUOSCTBNEMKNER-LLVKDONJSA-N -1 3 386.271 3.163 10 0 GGAEHM Brc1cccc(-c2nnc(-c3noc(C=C[C@@H]4CCCO4)n3)[n-]2)c1 ZINC000643966523 567525095 /nfs/dbraw/zinc/52/50/95/567525095.db2.gz XVSPJWVSRMXIDO-SYTKJHMZSA-N -1 3 388.225 3.476 10 0 GGAEHM Brc1cccc(-c2n[n-]c(-c3noc(C=C[C@@H]4CCCO4)n3)n2)c1 ZINC000643966523 567525104 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O=C(N[C@H]1CCOc2c(Br)cccc21)c1cc(F)cc2n[n-]nc21 ZINC000504338217 567531210 /nfs/dbraw/zinc/53/12/10/567531210.db2.gz JHAQFVVWZVRMPE-LBPRGKRZSA-N -1 3 391.200 3.113 10 0 GGAEHM O=C1CCCc2cc(-c3nc4cc(Br)c(F)cc4c(=O)[n-]3)cnc21 ZINC000504508614 567536938 /nfs/dbraw/zinc/53/69/38/567536938.db2.gz XHDYFTJREBGXGE-UHFFFAOYSA-N -1 3 388.196 3.406 10 0 GGAEHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479487878 567539024 /nfs/dbraw/zinc/53/90/24/567539024.db2.gz FWKDZFMAIRBRFT-UHFFFAOYSA-N -1 3 377.491 3.038 10 0 GGAEHM CN(C(=O)c1ccc2n[n-]nc2c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000438640236 567539396 /nfs/dbraw/zinc/53/93/96/567539396.db2.gz GJNLGTSJNJHSKD-OAHLLOKOSA-N -1 3 387.237 3.316 10 0 GGAEHM O=C(c1c[n-]c2c(Cl)cc(Br)cc2c1=O)N1C[C@@H]2C[C@H]1CS2 ZINC000458335075 567540829 /nfs/dbraw/zinc/54/08/29/567540829.db2.gz PKEMRPSUIOWRTG-IUCAKERBSA-N -1 3 399.697 3.274 10 0 GGAEHM O=C(c1cnc2c(Cl)cc(Br)cc2c1[O-])N1C[C@@H]2C[C@H]1CS2 ZINC000458335075 567540834 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Cc1cc(-c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)cnn1 ZINC000571959352 567602212 /nfs/dbraw/zinc/60/22/12/567602212.db2.gz BRAXFSJVAGLAIA-UHFFFAOYSA-N -1 3 384.197 3.050 10 0 GGAEHM Cc1cc(-c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)cnn1 ZINC000571959352 567602216 /nfs/dbraw/zinc/60/22/16/567602216.db2.gz BRAXFSJVAGLAIA-UHFFFAOYSA-N -1 3 384.197 3.050 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]C2CCC(c3nc(C)no3)CC2)sc1Cl ZINC000530490796 567606076 /nfs/dbraw/zinc/60/60/76/567606076.db2.gz QLGSBDUROCFXFU-UHFFFAOYSA-N -1 3 375.903 3.406 10 0 GGAEHM COc1cc(=NC(=O)N(Cc2cccc(Br)c2)CC2CC2)[n-]n1C ZINC000530494420 567606665 /nfs/dbraw/zinc/60/66/65/567606665.db2.gz OSNAIHNNZNIXGW-UHFFFAOYSA-N -1 3 393.285 3.057 10 0 GGAEHM COCCNc1ccccc1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000506088392 567609272 /nfs/dbraw/zinc/60/92/72/567609272.db2.gz XRHFAEZWLAEEGO-UHFFFAOYSA-N -1 3 379.254 3.394 10 0 GGAEHM O=C(N[C@H]1CC12CCCC2)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000572075636 567611307 /nfs/dbraw/zinc/61/13/07/567611307.db2.gz SWLMKRZWDAWLCW-AWEZNQCLSA-N -1 3 396.559 3.351 10 0 GGAEHM CO[C@H]1C[C@@H](N(C)C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C1 ZINC000552847517 567613622 /nfs/dbraw/zinc/61/36/22/567613622.db2.gz BZFFUFUGFDAENI-AOOOYVTPSA-N -1 3 399.672 3.193 10 0 GGAEHM CO[C@H]1C[C@@H](N(C)C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C1 ZINC000552847517 567613624 /nfs/dbraw/zinc/61/36/24/567613624.db2.gz BZFFUFUGFDAENI-AOOOYVTPSA-N -1 3 399.672 3.193 10 0 GGAEHM CCCN(CCC)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(=O)OC ZINC000530628821 567614781 /nfs/dbraw/zinc/61/47/81/567614781.db2.gz QXIXSJLTKRNLMP-UHFFFAOYSA-N -1 3 382.404 3.271 10 0 GGAEHM CCOc1cc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc(Br)c1[O-] ZINC000459338945 567616697 /nfs/dbraw/zinc/61/66/97/567616697.db2.gz SLWMHTBBRTYDEI-BXUZGUMPSA-N -1 3 398.219 3.441 10 0 GGAEHM CN(Cc1cccc([O-])c1Br)C[C@@H]1CCCN1c1cccnn1 ZINC000459340487 567617371 /nfs/dbraw/zinc/61/73/71/567617371.db2.gz VKBCIOIOAWSCIL-AWEZNQCLSA-N -1 3 377.286 3.046 10 0 GGAEHM CCOc1cc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)cc(Br)c1[O-] ZINC000459338946 567617428 /nfs/dbraw/zinc/61/74/28/567617428.db2.gz SLWMHTBBRTYDEI-FZMZJTMJSA-N -1 3 398.219 3.441 10 0 GGAEHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000572164902 567617970 /nfs/dbraw/zinc/61/79/70/567617970.db2.gz CXMHYWBDKRPXDM-CQSZACIVSA-N -1 3 376.544 3.084 10 0 GGAEHM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000572164901 567618266 /nfs/dbraw/zinc/61/82/66/567618266.db2.gz CXMHYWBDKRPXDM-AWEZNQCLSA-N -1 3 376.544 3.084 10 0 GGAEHM COC(C)(C)CS(=O)(=O)[N-]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000572168441 567618566 /nfs/dbraw/zinc/61/85/66/567618566.db2.gz VZMMDTRHKZUKTB-MRXNPFEDSA-N -1 3 375.918 3.152 10 0 GGAEHM COc1cc(=NC(=O)N2CCC(c3cccc(Br)c3)CC2)[n-]n1C ZINC000572200663 567621655 /nfs/dbraw/zinc/62/16/55/567621655.db2.gz VEBNMBPIPZBIGC-UHFFFAOYSA-N -1 3 393.285 3.025 10 0 GGAEHM CCOc1cc(CNCc2ccccc2OCCO)cc(Br)c1[O-] ZINC000459424545 567623290 /nfs/dbraw/zinc/62/32/90/567623290.db2.gz GSYQSKZDNIZTPR-UHFFFAOYSA-N -1 3 396.281 3.214 10 0 GGAEHM CCOc1cc(CN[C@H]2CC(=O)N(C(C)(C)C)C2)cc(Br)c1[O-] ZINC000459419203 567623451 /nfs/dbraw/zinc/62/34/51/567623451.db2.gz DLWWOUPMBCAEHL-LBPRGKRZSA-N -1 3 385.302 3.042 10 0 GGAEHM COc1cccc(C(=O)NC[C@H](C)Oc2cccc(Br)c2)c1[O-] ZINC000440331394 567624304 /nfs/dbraw/zinc/62/43/04/567624304.db2.gz YJBMIDMXQZFIMO-NSHDSACASA-N -1 3 380.238 3.361 10 0 GGAEHM CC[C@@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)c1ccc(Cl)cc1 ZINC000645450038 567626661 /nfs/dbraw/zinc/62/66/61/567626661.db2.gz QCTVRXLJWZHVTH-CQSZACIVSA-N -1 3 384.885 3.373 10 0 GGAEHM CCn1cnc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3csc(C)n3)cc2)c1 ZINC000530856515 567626932 /nfs/dbraw/zinc/62/69/32/567626932.db2.gz CISIWFJQRGATEK-LBPRGKRZSA-N -1 3 376.507 3.374 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccc(F)c(F)c2)sc1Cl ZINC000480746184 567627684 /nfs/dbraw/zinc/62/76/84/567627684.db2.gz FOZVAQCJRIFQSH-NSHDSACASA-N -1 3 395.880 3.118 10 0 GGAEHM CC[C@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)c1cccc(Cl)c1 ZINC000645469943 567629493 /nfs/dbraw/zinc/62/94/93/567629493.db2.gz VAAIJOOYRJLWEZ-AWEZNQCLSA-N -1 3 384.885 3.373 10 0 GGAEHM Cc1c(S(=O)(=O)[N-][C@@H](CC(C)C)c2cccs2)coc1C(=O)N(C)C ZINC000645485168 567631326 /nfs/dbraw/zinc/63/13/26/567631326.db2.gz MEVBZHOHZJOXQB-ZDUSSCGKSA-N -1 3 384.523 3.417 10 0 GGAEHM CCOC(=O)[C@@H](CCOC(C)(C)C)NCc1cccc([O-])c1Br ZINC000459499198 567631276 /nfs/dbraw/zinc/63/12/76/567631276.db2.gz WGUZYZCGOHBFAB-CYBMUJFWSA-N -1 3 388.302 3.381 10 0 GGAEHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c(Br)c1 ZINC000480796813 567632727 /nfs/dbraw/zinc/63/27/27/567632727.db2.gz JLWDSGLEKDGRFS-SECBINFHSA-N -1 3 384.242 3.314 10 0 GGAEHM CCOc1cc(CN(CCO)Cc2ccc(C)o2)cc(Br)c1[O-] ZINC000459522160 567634340 /nfs/dbraw/zinc/63/43/40/567634340.db2.gz HRNLFGBNNAVKQK-UHFFFAOYSA-N -1 3 384.270 3.449 10 0 GGAEHM Cc1cccc2cc(S(=O)(=O)[N-]C[C@H]3CCN(CC(F)(F)F)C3)sc21 ZINC000645512544 567635117 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Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CCc2cc(N)ccc21 ZINC000624375719 567776561 /nfs/dbraw/zinc/77/65/61/567776561.db2.gz XPRTYMBGROSGFF-HNNXBMFYSA-N -1 3 399.285 3.445 10 0 GGAEHM CO[C@H](CS(=O)(=O)[N-]c1c(F)cc(Cl)cc1Cl)C1CCOCC1 ZINC000647273249 567776901 /nfs/dbraw/zinc/77/69/01/567776901.db2.gz GSYPEVKRFJGALA-CYBMUJFWSA-N -1 3 386.272 3.316 10 0 GGAEHM CN1CC[C@@H]([N-]S(=O)(=O)c2ccccc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000533640079 567780055 /nfs/dbraw/zinc/78/00/55/567780055.db2.gz JECGIGFIBMUROR-WBVHZDCISA-N -1 3 386.851 3.342 10 0 GGAEHM COCCN(CC(C)C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000443950445 567781520 /nfs/dbraw/zinc/78/15/20/567781520.db2.gz HKYBTKAAZKHQAH-UHFFFAOYSA-N -1 3 381.270 3.035 10 0 GGAEHM C[C@H](F)CC[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000555414729 567783201 /nfs/dbraw/zinc/78/32/01/567783201.db2.gz FBTVAUGZZGHQQY-ZETCQYMHSA-N -1 3 389.084 3.238 10 0 GGAEHM O=S(=O)([N-][C@H](c1nccs1)C(F)(F)F)c1ccccc1-c1ccno1 ZINC000555414269 567783250 /nfs/dbraw/zinc/78/32/50/567783250.db2.gz JMAVYTIPPDJHSB-GFCCVEGCSA-N -1 3 389.380 3.380 10 0 GGAEHM O=S(=O)([N-]CCc1csc(N2CCCC2)n1)c1cc(F)cc(Cl)c1 ZINC000533713758 567784035 /nfs/dbraw/zinc/78/40/35/567784035.db2.gz QGLQEHXFGNIHDA-UHFFFAOYSA-N -1 3 389.905 3.057 10 0 GGAEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000624527111 567785534 /nfs/dbraw/zinc/78/55/34/567785534.db2.gz CZQASGRVSRLKPI-FKTZTGRPSA-N -1 3 387.159 3.110 10 0 GGAEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000624527111 567785535 /nfs/dbraw/zinc/78/55/35/567785535.db2.gz CZQASGRVSRLKPI-FKTZTGRPSA-N -1 3 387.159 3.110 10 0 GGAEHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)[N-]c1ncnn1-c1ccccc1 ZINC000555510157 567786152 /nfs/dbraw/zinc/78/61/52/567786152.db2.gz GLBQTSXNXZWGEE-NSHDSACASA-N -1 3 377.231 3.402 10 0 GGAEHM CSc1cc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[n-]2)c(Cl)cc1Cl ZINC000555534481 567786807 /nfs/dbraw/zinc/78/68/07/567786807.db2.gz PDPJOCGHDAXSEC-NSHDSACASA-N -1 3 386.308 3.234 10 0 GGAEHM 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GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CCSCC(C)C ZINC000599264797 567811912 /nfs/dbraw/zinc/81/19/12/567811912.db2.gz NXNNWKKYUWOAKE-UHFFFAOYSA-N -1 3 387.445 3.261 10 0 GGAEHM CCOc1cc(CNc2ccc3c(c2)nnn3C)cc(Br)c1[O-] ZINC000648058170 567812720 /nfs/dbraw/zinc/81/27/20/567812720.db2.gz WGQCKZLUNXCUPO-UHFFFAOYSA-N -1 3 377.242 3.447 10 0 GGAEHM [O-]c1c(Br)cc(CN[C@@H]2C[C@H](O)C23CCC3)cc1Br ZINC000668623461 567815225 /nfs/dbraw/zinc/81/52/25/567815225.db2.gz MFZICVZOXZUEHG-NEPJUHHUSA-N -1 3 391.103 3.310 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000534636660 567815337 /nfs/dbraw/zinc/81/53/37/567815337.db2.gz NIRZXMAGVFJLLG-MRXNPFEDSA-N -1 3 397.294 3.282 10 0 GGAEHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)c1 ZINC000534637267 567815412 /nfs/dbraw/zinc/81/54/12/567815412.db2.gz FSUXLZYLYLGSTL-INIZCTEOSA-N -1 3 397.294 3.282 10 0 GGAEHM O=S(=O)([N-][C@@H](c1cccnc1)C1CC1)c1cc(F)ccc1Br ZINC000534636625 567815448 /nfs/dbraw/zinc/81/54/48/567815448.db2.gz MIMGSMFIEHKQLC-OAHLLOKOSA-N -1 3 385.258 3.413 10 0 GGAEHM O=S(=O)([N-][C@@H](c1cccnc1)C1CC1)c1ccc(F)cc1Br ZINC000534638128 567815487 /nfs/dbraw/zinc/81/54/87/567815487.db2.gz LITLUYYKQPMRHL-OAHLLOKOSA-N -1 3 385.258 3.413 10 0 GGAEHM O=S(=O)([N-][C@H](c1cccnc1)C1CC1)c1cc(F)ccc1Br ZINC000534636624 567815510 /nfs/dbraw/zinc/81/55/10/567815510.db2.gz MIMGSMFIEHKQLC-HNNXBMFYSA-N -1 3 385.258 3.413 10 0 GGAEHM CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000012905067 570288862 /nfs/dbraw/zinc/28/88/62/570288862.db2.gz CLXXHFWKOHMCFE-UHFFFAOYSA-N -1 3 386.395 3.342 10 0 GGAEHM CC(C)(C)n1nnnc1SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000012904860 570289464 /nfs/dbraw/zinc/28/94/64/570289464.db2.gz UKTANPQFCNSEHP-UHFFFAOYSA-N -1 3 388.478 3.278 10 0 GGAEHM Cc1ccc(CN(C)C(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000012911972 570291186 /nfs/dbraw/zinc/29/11/86/570291186.db2.gz BRSJSWDEZZNKGW-UHFFFAOYSA-N -1 3 395.503 3.010 10 0 GGAEHM CCN(C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccccc1C 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ZINC000070915606 570596368 /nfs/dbraw/zinc/59/63/68/570596368.db2.gz HUVMLXYFRAJCRU-UHFFFAOYSA-N -1 3 380.444 3.028 10 0 GGAEHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(C(C)=O)[C@H](c2ccc(C)cc2)C1 ZINC000072314562 570660950 /nfs/dbraw/zinc/66/09/50/570660950.db2.gz DHEFGBFRRZKMCL-FQEVSTJZSA-N -1 3 385.489 3.454 10 0 GGAEHM Cc1nc2ccccc2n1CCC(=O)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000033027862 570665742 /nfs/dbraw/zinc/66/57/42/570665742.db2.gz VREXJZDBRSIVLI-ACJLOTCBSA-N -1 3 394.397 3.374 10 0 GGAEHM CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])CC1 ZINC000033078727 570805277 /nfs/dbraw/zinc/80/52/77/570805277.db2.gz WUFLOCFKVDCUJH-UHFFFAOYSA-N -1 3 387.867 3.432 10 0 GGAEHM CCCc1noc([C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1 ZINC000032788813 570810399 /nfs/dbraw/zinc/81/03/99/570810399.db2.gz GQAMYFAXVVZBGS-LLVKDONJSA-N -1 3 382.449 3.298 10 0 GGAEHM Cc1cccc(NCc2cc(=O)n3nc(NCc4cccs4)[n-]c3n2)c1C ZINC000101797153 570834715 /nfs/dbraw/zinc/83/47/15/570834715.db2.gz PTIWQUHBIOMSPD-UHFFFAOYSA-N 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/nfs/dbraw/zinc/51/04/55/565510455.db2.gz MKEAMHAFFUYZPY-UHFFFAOYSA-N -1 3 382.898 3.044 10 0 GGAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@@H](C)c1ccc(F)cc1F ZINC000190184119 565514056 /nfs/dbraw/zinc/51/40/56/565514056.db2.gz RBINAIDVCWWSLU-SECBINFHSA-N -1 3 389.445 3.203 10 0 GGAEHM CCCCOc1ccc(C(=O)Nc2cc(Br)c[nH]c2=O)c([O-])c1 ZINC000190200373 565515112 /nfs/dbraw/zinc/51/51/12/565515112.db2.gz DJPDOOXWECZYKC-UHFFFAOYSA-N -1 3 381.226 3.274 10 0 GGAEHM Cc1c2c(sc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)CCCC2 ZINC000173059203 565523284 /nfs/dbraw/zinc/52/32/84/565523284.db2.gz WTYBTSVUEVDBBL-LLVKDONJSA-N -1 3 384.548 3.302 10 0 GGAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H]1CCCc2cc(F)ccc21 ZINC000190376178 565527026 /nfs/dbraw/zinc/52/70/26/565527026.db2.gz YXKMRELIVNFHAZ-CQSZACIVSA-N -1 3 383.466 3.338 10 0 GGAEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(Br)c2)n1 ZINC000173200178 565535769 /nfs/dbraw/zinc/53/57/69/565535769.db2.gz KRUCXHFWPBUHHS-MRVPVSSYSA-N -1 3 379.276 3.393 10 0 GGAEHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)OC ZINC000381308064 565541229 /nfs/dbraw/zinc/54/12/29/565541229.db2.gz SLARARUMMLHCEY-BXKDBHETSA-N -1 3 384.723 3.442 10 0 GGAEHM Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000190545326 565541327 /nfs/dbraw/zinc/54/13/27/565541327.db2.gz OIMVOEOBWWRYDE-ZDUSSCGKSA-N -1 3 379.913 3.405 10 0 GGAEHM O=S(=O)([N-][C@H]1CCN2CCCC[C@@H]12)c1c(Cl)cccc1Br ZINC000385913426 565546826 /nfs/dbraw/zinc/54/68/26/565546826.db2.gz HUYUCAXKQWYJDF-STQMWFEESA-N -1 3 393.734 3.008 10 0 GGAEHM CN1CCC[C@H](C[N-]S(=O)(=O)c2cccc(F)c2F)[C@@H]1c1cccs1 ZINC000173324104 565548042 /nfs/dbraw/zinc/54/80/42/565548042.db2.gz CGLGDUZXMGOFNH-SJKOYZFVSA-N -1 3 386.489 3.388 10 0 GGAEHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)[C@@H]1c1cccs1 ZINC000173325289 565549440 /nfs/dbraw/zinc/54/94/40/565549440.db2.gz HTNOZOYCNAGHBA-YVEFUNNKSA-N -1 3 386.489 3.388 10 0 GGAEHM CCN(CC(=O)Nc1cc([O-])c(Br)cc1Br)C1CC1 ZINC000278505510 565563294 /nfs/dbraw/zinc/56/32/94/565563294.db2.gz AHNIIRDELXVPPK-UHFFFAOYSA-N -1 3 392.091 3.340 10 0 GGAEHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@@H]1CCCOC1 ZINC000389116562 565553681 /nfs/dbraw/zinc/55/36/81/565553681.db2.gz HWWXLMYAAPJUNF-VHSXEESVSA-N -1 3 382.707 3.196 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@@H]1CCCOC1 ZINC000389116559 565553758 /nfs/dbraw/zinc/55/37/58/565553758.db2.gz HWWXLMYAAPJUNF-NXEZZACHSA-N -1 3 382.707 3.196 10 0 GGAEHM C[C@@H](COCc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000390819706 565557242 /nfs/dbraw/zinc/55/72/42/565557242.db2.gz UPKCPWBKPXXGEV-NSHDSACASA-N -1 3 390.324 3.394 10 0 GGAEHM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000173470402 565559796 /nfs/dbraw/zinc/55/97/96/565559796.db2.gz WCBLGNBJBJQPGJ-VIFPVBQESA-N -1 3 376.309 3.253 10 0 GGAEHM Cc1nn(C)c(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000173474697 565559928 /nfs/dbraw/zinc/55/99/28/565559928.db2.gz IIBQKSWQRJKSAK-VIFPVBQESA-N -1 3 376.309 3.253 10 0 GGAEHM O=S(=O)([N-]Cc1ccc[nH]1)c1ccc(Br)cc1C(F)(F)F ZINC000173518967 565563102 /nfs/dbraw/zinc/56/31/02/565563102.db2.gz KOBFTDKWVCRDSS-UHFFFAOYSA-N -1 3 383.189 3.275 10 0 GGAEHM CCO[C@@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1OC)C(C)C ZINC000173522470 565563228 /nfs/dbraw/zinc/56/32/28/565563228.db2.gz UBRDHPCDKSQWQA-ZDUSSCGKSA-N -1 3 394.331 3.187 10 0 GGAEHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000303089545 565566750 /nfs/dbraw/zinc/56/67/50/565566750.db2.gz HRHWZXDUEWWQNP-AGIUHOORSA-N -1 3 392.974 3.257 10 0 GGAEHM C[C@@H]1CCCCN1CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000303142804 565567626 /nfs/dbraw/zinc/56/76/26/565567626.db2.gz DUEZGZWEYQSKFM-LLVKDONJSA-N -1 3 395.750 3.255 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)c(Cl)c1 ZINC000303129289 565567739 /nfs/dbraw/zinc/56/77/39/565567739.db2.gz NXVQUCUFMXWBOA-UHFFFAOYSA-N -1 3 379.865 3.137 10 0 GGAEHM CC(C)(O)C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000393550411 565568457 /nfs/dbraw/zinc/56/84/57/565568457.db2.gz YGXPMXHMIDPBRA-UHFFFAOYSA-N -1 3 384.723 3.178 10 0 GGAEHM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000393487392 565568996 /nfs/dbraw/zinc/56/89/96/565568996.db2.gz YBAZBKVSDSWHHK-VIFPVBQESA-N -1 3 384.723 3.178 10 0 GGAEHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000303171492 565569063 /nfs/dbraw/zinc/56/90/63/565569063.db2.gz JFKRRLHLLIYPHZ-OAHLLOKOSA-N -1 3 381.881 3.426 10 0 GGAEHM O=c1nc(CSC[C@@H]2CCS(=O)(=O)C2)[n-]c2scc(-c3ccco3)c21 ZINC000278720787 565573701 /nfs/dbraw/zinc/57/37/01/565573701.db2.gz OUUIROXKWRLHLO-JTQLQIEISA-N -1 3 396.515 3.325 10 0 GGAEHM CC(C)(CN1CCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000308684657 565578058 /nfs/dbraw/zinc/57/80/58/565578058.db2.gz XGKYDPHCKJUCFL-UHFFFAOYSA-N -1 3 395.750 3.255 10 0 GGAEHM O=S(=O)([N-]CCC[C@H]1CCOC1)c1c(Cl)cccc1Br ZINC000401365646 565580097 /nfs/dbraw/zinc/58/00/97/565580097.db2.gz GBEZTLIALYVDJB-JTQLQIEISA-N -1 3 382.707 3.198 10 0 GGAEHM Cc1csc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)n1 ZINC000312345126 565581716 /nfs/dbraw/zinc/58/17/16/565581716.db2.gz LTANSDDONMUWOX-UHFFFAOYSA-N -1 3 395.731 3.388 10 0 GGAEHM COC1(CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCC1 ZINC000312441519 565582139 /nfs/dbraw/zinc/58/21/39/565582139.db2.gz UEHJIYGUFZRGGT-UHFFFAOYSA-N -1 3 382.707 3.340 10 0 GGAEHM CC1(C)COC[C@@H]1NCc1cc(Br)c([O-])c(Br)c1 ZINC000313023385 565583447 /nfs/dbraw/zinc/58/34/47/565583447.db2.gz OGFWWYCEONVNCI-NSHDSACASA-N -1 3 379.092 3.432 10 0 GGAEHM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1(C)C ZINC000312880023 565583482 /nfs/dbraw/zinc/58/34/82/565583482.db2.gz PPZCGONNJGUKOL-GHMZBOCLSA-N -1 3 382.707 3.194 10 0 GGAEHM CCN1CCC(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000314029385 565585705 /nfs/dbraw/zinc/58/57/05/565585705.db2.gz NXIKQHWCTYZROA-UHFFFAOYSA-N -1 3 395.750 3.113 10 0 GGAEHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)OC(C)(C)C ZINC000314544890 565587464 /nfs/dbraw/zinc/58/74/64/565587464.db2.gz RIJNFVAZATUZLM-QMMMGPOBSA-N -1 3 398.706 3.111 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCc2cc(N)ccc21 ZINC000322309293 565609119 /nfs/dbraw/zinc/60/91/19/565609119.db2.gz XZHGBKQDTXRVKF-AWEZNQCLSA-N -1 3 397.294 3.006 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCc2cc(N)ccc21 ZINC000322309294 565609473 /nfs/dbraw/zinc/60/94/73/565609473.db2.gz XZHGBKQDTXRVKF-CQSZACIVSA-N -1 3 397.294 3.006 10 0 GGAEHM O=C1[C@H](NCc2cc([O-])ccc2Br)CCN1Cc1ccc(F)cc1 ZINC000191766722 565630705 /nfs/dbraw/zinc/63/07/05/565630705.db2.gz QZEQPTZEELNADO-QGZVFWFLSA-N -1 3 393.256 3.185 10 0 GGAEHM O=C([O-])[C@@]1(C(F)(F)F)CCN(CCCc2nc(-c3cccs3)no2)C1 ZINC000327403561 565630870 /nfs/dbraw/zinc/63/08/70/565630870.db2.gz KUNRZXHDLWNJCX-CQSZACIVSA-N -1 3 375.372 3.070 10 0 GGAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)c1ccc(OC)c(F)c1 ZINC000327606785 565631709 /nfs/dbraw/zinc/63/17/09/565631709.db2.gz JNWHFSDNLBIOPT-JTQLQIEISA-N -1 3 387.454 3.030 10 0 GGAEHM COc1ccc([O-])c(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)c1 ZINC000409861979 565645481 /nfs/dbraw/zinc/64/54/81/565645481.db2.gz XRRPTUCQGZSAQK-CQSZACIVSA-N -1 3 378.222 3.417 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)c(Cl)c1 ZINC000409916012 565648776 /nfs/dbraw/zinc/64/87/76/565648776.db2.gz ODFUTXUJHGFNKD-UHFFFAOYSA-N -1 3 381.828 3.230 10 0 GGAEHM O=S(=O)([N-]CC[C@@H]1CCCCO1)c1c(Cl)cccc1Br ZINC000330365690 565703142 /nfs/dbraw/zinc/70/31/42/565703142.db2.gz GSNUVPCHJOADKA-JTQLQIEISA-N -1 3 382.707 3.340 10 0 GGAEHM Cn1nccc1[C@@H]1CCCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000410285737 565675873 /nfs/dbraw/zinc/67/58/73/565675873.db2.gz FHAKBMOERVOBMU-HNNXBMFYSA-N -1 3 378.270 3.185 10 0 GGAEHM C[C@@H]1CC[C@H](C)CN1C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000175154136 565682731 /nfs/dbraw/zinc/68/27/31/565682731.db2.gz UEHGPGJELMPPRQ-NWDGAFQWSA-N -1 3 393.336 3.309 10 0 GGAEHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)cc1Cl ZINC000410418886 565684592 /nfs/dbraw/zinc/68/45/92/565684592.db2.gz OQIBHLDPFAGPQM-UHFFFAOYSA-N -1 3 380.853 3.195 10 0 GGAEHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000175276719 565690694 /nfs/dbraw/zinc/69/06/94/565690694.db2.gz JSSBANKGPYLABK-DGCLKSJQSA-N -1 3 394.356 3.410 10 0 GGAEHM O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cccc2c1OCCO2 ZINC000330103461 565691997 /nfs/dbraw/zinc/69/19/97/565691997.db2.gz GVEATECOXOQZHA-RYUDHWBXSA-N -1 3 379.400 3.105 10 0 GGAEHM O=S(=O)([N-]C[C@@H]1CCCC[C@H]1C(F)(F)F)c1cccc2c1OCCO2 ZINC000330103460 565692201 /nfs/dbraw/zinc/69/22/01/565692201.db2.gz GVEATECOXOQZHA-NWDGAFQWSA-N -1 3 379.400 3.105 10 0 GGAEHM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000330366670 565703108 /nfs/dbraw/zinc/70/31/08/565703108.db2.gz YGCNURKJXAZSMB-LLVKDONJSA-N -1 3 384.723 3.178 10 0 GGAEHM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccn(-c2c(F)cccc2F)n1 ZINC000175495784 565703036 /nfs/dbraw/zinc/70/30/36/565703036.db2.gz OWZLUYJIOJYDMZ-UHFFFAOYSA-N -1 3 375.282 3.273 10 0 GGAEHM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(C)(C)C ZINC000330418577 565704942 /nfs/dbraw/zinc/70/49/42/565704942.db2.gz PQVOSIZULWWDFB-NSHDSACASA-N -1 3 384.723 3.442 10 0 GGAEHM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1c(Cl)cccc1Br ZINC000330417118 565705128 /nfs/dbraw/zinc/70/51/28/565705128.db2.gz OUVRLASNILWWLE-ZDUSSCGKSA-N -1 3 396.734 3.322 10 0 GGAEHM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC000330486061 565708609 /nfs/dbraw/zinc/70/86/09/565708609.db2.gz BTOKABDLMXEODL-JOYOIKCWSA-N -1 3 387.299 3.041 10 0 GGAEHM O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000192796286 565711055 /nfs/dbraw/zinc/71/10/55/565711055.db2.gz UAIFXLPOBHQFJI-HNNXBMFYSA-N -1 3 389.249 3.398 10 0 GGAEHM O=C(Nc1ccc(Br)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000192796273 565711501 /nfs/dbraw/zinc/71/15/01/565711501.db2.gz UAIFXLPOBHQFJI-OAHLLOKOSA-N -1 3 389.249 3.398 10 0 GGAEHM Cc1csc(C[N-]S(=O)(=O)c2c(C)cc(Br)cc2C)n1 ZINC000330577185 565713669 /nfs/dbraw/zinc/71/36/69/565713669.db2.gz NKPJEURXSAGTRV-UHFFFAOYSA-N -1 3 375.313 3.309 10 0 GGAEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)C2CCN(CC(F)(F)F)CC2)c(F)c1 ZINC000192863915 565715056 /nfs/dbraw/zinc/71/50/56/565715056.db2.gz KUGLDNWMISSWPN-LBPRGKRZSA-N -1 3 382.423 3.075 10 0 GGAEHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCO1 ZINC000330680579 565717787 /nfs/dbraw/zinc/71/77/87/565717787.db2.gz MACHHAOHQQYNGN-OLZOCXBDSA-N -1 3 380.432 3.363 10 0 GGAEHM Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1ccc(C)c(C)c1)C(F)(F)F ZINC000330721833 565720641 /nfs/dbraw/zinc/72/06/41/565720641.db2.gz XOCVQIAHNVLUTA-HNNXBMFYSA-N -1 3 375.416 3.236 10 0 GGAEHM CN(CC(F)(F)F)C(=O)C(=O)[N-][C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000411380216 565727602 /nfs/dbraw/zinc/72/76/02/565727602.db2.gz JLFVDEDMJQODAZ-SECBINFHSA-N -1 3 376.684 3.080 10 0 GGAEHM O=S(=O)([N-]CCC[C@H]1CCCC[C@H]1O)c1ccc(Br)cc1F ZINC000331057137 565737034 /nfs/dbraw/zinc/73/70/34/565737034.db2.gz LSIAWNOKSKKSKH-BXUZGUMPSA-N -1 3 394.306 3.198 10 0 GGAEHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cnccc2C(F)(F)F)sc1C ZINC000331277174 565750417 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O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1c(Cl)cccc1Br ZINC000282347639 565775981 /nfs/dbraw/zinc/77/59/81/565775981.db2.gz RXAQBSAVSOQDAP-GXFFZTMASA-N -1 3 394.718 3.338 10 0 GGAEHM CCC1(NC(=O)C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCC1 ZINC000412413988 565787198 /nfs/dbraw/zinc/78/71/98/565787198.db2.gz HNRIXQJPDXMTRN-UHFFFAOYSA-N -1 3 398.834 3.086 10 0 GGAEHM CC1(C)CCCC[C@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000194163445 565798114 /nfs/dbraw/zinc/79/81/14/565798114.db2.gz HALSWEAUQBSCDW-HNNXBMFYSA-N -1 3 384.567 3.234 10 0 GGAEHM O=C(NC1(c2ccc(Br)cc2)CCOCC1)c1ccc(O)cc1[O-] ZINC000194209462 565801172 /nfs/dbraw/zinc/80/11/72/565801172.db2.gz SVMTXLCGALGUMM-UHFFFAOYSA-N -1 3 392.249 3.296 10 0 GGAEHM CN(C)CCOc1ccc(NC(=O)c2s[n-]c(=O)c2Cl)cc1Cl ZINC000283008541 565806377 /nfs/dbraw/zinc/80/63/77/565806377.db2.gz IYOFHTGZPMWLFD-UHFFFAOYSA-N -1 3 376.265 3.348 10 0 GGAEHM CCc1cnc(CC[N-]S(=O)(=O)c2cc(C)c(Br)s2)s1 ZINC000176949773 565817527 /nfs/dbraw/zinc/81/75/27/565817527.db2.gz 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566838176 /nfs/dbraw/zinc/83/81/76/566838176.db2.gz BFJKPYSQXYFZPN-UHFFFAOYSA-N -1 3 377.491 3.216 10 0 GGAEHM CC[C@](C)([N-]S(=O)(=O)Cc1ncsc1Br)c1nccs1 ZINC000632016366 566842183 /nfs/dbraw/zinc/84/21/83/566842183.db2.gz PMWYRXDWLXUEAA-NSHDSACASA-N -1 3 396.357 3.107 10 0 GGAEHM CC[C@H]([N-]S(=O)(=O)c1cscc1Br)c1c(C)nn(C)c1C ZINC000632045151 566843756 /nfs/dbraw/zinc/84/37/56/566843756.db2.gz ZIJXBCNMBYKXBY-NSHDSACASA-N -1 3 392.344 3.291 10 0 GGAEHM CCN1CC[C@H]([N-]S(=O)(=O)c2cccs2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000542984581 566844518 /nfs/dbraw/zinc/84/45/18/566844518.db2.gz LMXLLBKJBWIDGW-XJKSGUPXSA-N -1 3 390.452 3.279 10 0 GGAEHM CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)o1 ZINC000451583071 566845499 /nfs/dbraw/zinc/84/54/99/566845499.db2.gz WXMSQAWJPOXGTQ-UHFFFAOYSA-N -1 3 378.372 3.051 10 0 GGAEHM C[C@H](CC[N-]S(=O)(=O)c1c[nH]c(=O)s1)c1cccc(C(F)(F)F)c1 ZINC000632058008 566846079 /nfs/dbraw/zinc/84/60/79/566846079.db2.gz WERSZHWWKVOJHB-SECBINFHSA-N -1 3 380.413 3.340 10 0 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O=C([O-])c1ccc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)c(Br)c1 ZINC000566510504 567163070 /nfs/dbraw/zinc/16/30/70/567163070.db2.gz SXGDICONNYSENO-GJZGRUSLSA-N -1 3 396.306 3.417 10 0 GGAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000589215117 567167125 /nfs/dbraw/zinc/16/71/25/567167125.db2.gz JJHOECOGBNEMNR-ZDUSSCGKSA-N -1 3 381.475 3.198 10 0 GGAEHM O=S(=O)([N-]Cc1ccc(F)cc1C(F)(F)F)c1cccc2nsnc21 ZINC000615224049 567171228 /nfs/dbraw/zinc/17/12/28/567171228.db2.gz IIYRMEOZPMBZHT-UHFFFAOYSA-N -1 3 391.371 3.328 10 0 GGAEHM Cc1[nH]nc2cc(NC(=O)c3ccc(I)c([O-])c3)ccc12 ZINC000546922318 567172113 /nfs/dbraw/zinc/17/21/13/567172113.db2.gz NHSGCCXHTUNTOD-UHFFFAOYSA-N -1 3 393.184 3.434 10 0 GGAEHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc4sccc4c3)no2)c(C)o1 ZINC000547099441 567182466 /nfs/dbraw/zinc/18/24/66/567182466.db2.gz YCVUPOZYJYOFPW-UHFFFAOYSA-N -1 3 375.431 3.428 10 0 GGAEHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1Cl ZINC000432762737 567186786 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O=C(Nc1cc(I)ccc1[O-])[C@@H]1CCc2cccc(O)c21 ZINC000590316267 567219376 /nfs/dbraw/zinc/21/93/76/567219376.db2.gz HZJNIWNDFZEGQL-LLVKDONJSA-N -1 3 395.196 3.371 10 0 GGAEHM CO[C@@H]1CCC[C@@H](C(=O)Nc2cc(I)ccc2[O-])C1 ZINC000590316261 567219720 /nfs/dbraw/zinc/21/97/20/567219720.db2.gz HMTLJBCAGUKGDD-MWLCHTKSSA-N -1 3 375.206 3.141 10 0 GGAEHM COc1ccc(S(=O)(=O)[N-]CC2(CO)CC3(CCC3)C2)c(Cl)c1Cl ZINC000567177182 567224769 /nfs/dbraw/zinc/22/47/69/567224769.db2.gz UCVDIOWVMRORDI-UHFFFAOYSA-N -1 3 394.320 3.223 10 0 GGAEHM C[C@H](Cc1ccc(Br)cc1)C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000499114488 567225273 /nfs/dbraw/zinc/22/52/73/567225273.db2.gz NTXLOEBZCAPFHN-GFCCVEGCSA-N -1 3 385.265 3.473 10 0 GGAEHM O=S(=O)([N-][C@@H]1C[C@H]1C1CC1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000684661924 567227497 /nfs/dbraw/zinc/22/74/97/567227497.db2.gz WSPFNWMNRDRHQP-HRCADAONSA-N -1 3 385.913 3.365 10 0 GGAEHM FC(F)Oc1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1Br ZINC000499215437 567230690 /nfs/dbraw/zinc/23/06/90/567230690.db2.gz PUFSLJLBGPGTGO-UHFFFAOYSA-N -1 3 388.216 3.123 10 0 GGAEHM O=C(Nc1cc(I)ccc1[O-])[C@H]1CC(=O)c2ccccc21 ZINC000616170248 567231019 /nfs/dbraw/zinc/23/10/19/567231019.db2.gz JXMUVUIDTLLQLH-LBPRGKRZSA-N -1 3 393.180 3.306 10 0 GGAEHM CC(C)(NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C(F)(F)F ZINC000616203358 567232878 /nfs/dbraw/zinc/23/28/78/567232878.db2.gz VAHJRYJXBLIAHC-UHFFFAOYSA-N -1 3 392.321 3.148 10 0 GGAEHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000567277891 567232912 /nfs/dbraw/zinc/23/29/12/567232912.db2.gz UZFGWQFVLFNMIW-JTQLQIEISA-N -1 3 389.702 3.407 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)cc1Cl ZINC000499273855 567234617 /nfs/dbraw/zinc/23/46/17/567234617.db2.gz PMKLFJITCSJQEO-UHFFFAOYSA-N -1 3 379.825 3.112 10 0 GGAEHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)N1CCC[C@@H]1C1CC1 ZINC000590722362 567241296 /nfs/dbraw/zinc/24/12/96/567241296.db2.gz CUVCKDLYWWKMQS-CQSZACIVSA-N -1 3 391.320 3.063 10 0 GGAEHM COC[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000547749520 567243186 /nfs/dbraw/zinc/24/31/86/567243186.db2.gz GNXRFHCFCPKFQQ-INIZCTEOSA-N -1 3 378.266 3.071 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCOC[C@@H]1c1ccccc1 ZINC000547749495 567243833 /nfs/dbraw/zinc/24/38/33/567243833.db2.gz DDFXVUDFRPIKDZ-MRXNPFEDSA-N -1 3 376.250 3.297 10 0 GGAEHM CN1CCOc2ccc(NC(=O)Cc3ccc(Br)cc3[O-])cc21 ZINC000547749572 567243920 /nfs/dbraw/zinc/24/39/20/567243920.db2.gz NGGXTXCEAPBUEO-UHFFFAOYSA-N -1 3 377.238 3.165 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000433379626 567246854 /nfs/dbraw/zinc/24/68/54/567246854.db2.gz VIYBOZHDPHBBGF-GJZGRUSLSA-N -1 3 380.282 3.448 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1C(C)(C)C1(F)F ZINC000660022144 567248890 /nfs/dbraw/zinc/24/88/90/567248890.db2.gz RKXKNHCJMIBURP-LLVKDONJSA-N -1 3 384.242 3.027 10 0 GGAEHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1C(C)(C)C1(F)F ZINC000660021798 567248942 /nfs/dbraw/zinc/24/89/42/567248942.db2.gz OEVBLHBGDYPQJC-LBPRGKRZSA-N -1 3 398.269 3.417 10 0 GGAEHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)C[C@@H]1CCCCC1(F)F)c1ccccc1 ZINC000660029029 567249112 /nfs/dbraw/zinc/24/91/12/567249112.db2.gz UOZKQOXGHVULOD-BBWFWOEESA-N -1 3 375.481 3.490 10 0 GGAEHM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]C[C@@H]1C(C)(C)C1(F)F ZINC000660021759 567249429 /nfs/dbraw/zinc/24/94/29/567249429.db2.gz ONALCVDDSNWHAM-GFCCVEGCSA-N -1 3 398.269 3.336 10 0 GGAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-]Cc1cc(F)c(Cl)cc1F ZINC000433443556 567250754 /nfs/dbraw/zinc/25/07/54/567250754.db2.gz PGBPCCJFEAQIDS-UHFFFAOYSA-N -1 3 393.770 3.022 10 0 GGAEHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]Cc2cc(F)c(Cl)cc2F)c1 ZINC000433448189 567251125 /nfs/dbraw/zinc/25/11/25/567251125.db2.gz UTEVKSUVGFBOAS-UHFFFAOYSA-N -1 3 393.770 3.022 10 0 GGAEHM O=S(=O)([N-]Cc1cc(F)c(Cl)cc1F)c1cncc(Br)c1 ZINC000433444743 567251349 /nfs/dbraw/zinc/25/13/49/567251349.db2.gz VUHFXRUXCZOZGW-UHFFFAOYSA-N -1 3 397.628 3.254 10 0 GGAEHM O=S(=O)([N-]C[C@H]1CC12CCSCC2)c1cc(F)ccc1OC(F)F ZINC000567487865 567251704 /nfs/dbraw/zinc/25/17/04/567251704.db2.gz KPELKBWISRYXAL-SNVBAGLBSA-N -1 3 381.441 3.239 10 0 GGAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C(C)C)C2CC2)s1 ZINC000660043985 567252590 /nfs/dbraw/zinc/25/25/90/567252590.db2.gz NKYDBZBRQFHVLA-SFHVURJKSA-N -1 3 386.583 3.166 10 0 GGAEHM O=S(=O)([N-]CC1(O)CCC(F)(F)CC1)c1csc(-c2ccccc2)n1 ZINC000660070552 567256685 /nfs/dbraw/zinc/25/66/85/567256685.db2.gz YBOKZQMBQJLECG-UHFFFAOYSA-N -1 3 388.461 3.029 10 0 GGAEHM CCc1cc(C(=O)N[C@](C)(CO)c2ccc(Br)cc2)ccc1[O-] ZINC000616829177 567258774 /nfs/dbraw/zinc/25/87/74/567258774.db2.gz KSYWHUVIQNUEOB-GOSISDBHSA-N -1 3 378.266 3.355 10 0 GGAEHM COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1OC ZINC000525698752 567259357 /nfs/dbraw/zinc/25/93/57/567259357.db2.gz KSUQFBGHANDFIB-NSHDSACASA-N -1 3 387.860 3.406 10 0 GGAEHM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000660109424 567261259 /nfs/dbraw/zinc/26/12/59/567261259.db2.gz ACEJIWQKXKAYTN-SECBINFHSA-N -1 3 382.707 3.196 10 0 GGAEHM CCN(CC)[C@H](C)C[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000433623819 567263226 /nfs/dbraw/zinc/26/32/26/567263226.db2.gz IQYJJBAOVVTYSA-MRVPVSSYSA-N -1 3 389.768 3.173 10 0 GGAEHM NC(=O)CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCCC1 ZINC000660115470 567263328 /nfs/dbraw/zinc/26/33/28/567263328.db2.gz OVKNSJARQHZMNO-UHFFFAOYSA-N -1 3 379.309 3.098 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000499651254 567263443 /nfs/dbraw/zinc/26/34/43/567263443.db2.gz WMRWYJODXSKCAC-SNVBAGLBSA-N -1 3 381.828 3.230 10 0 GGAEHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000567651043 567263509 /nfs/dbraw/zinc/26/35/09/567263509.db2.gz DHIMCIAWQCPJMY-QWHCGFSZSA-N -1 3 375.512 3.026 10 0 GGAEHM O=S(=O)([N-][C@@H]1CCOc2c(Br)cccc21)c1ccccc1F ZINC000499675598 567264508 /nfs/dbraw/zinc/26/45/08/567264508.db2.gz MCVMDVJZHXJUDM-CYBMUJFWSA-N -1 3 386.242 3.390 10 0 GGAEHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000660117398 567264610 /nfs/dbraw/zinc/26/46/10/567264610.db2.gz QYSXZDUSUFMIQW-VIFPVBQESA-N -1 3 382.707 3.196 10 0 GGAEHM C[C@H]1CC(C)(C)C[C@](CO)(NC(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000499718995 567267515 /nfs/dbraw/zinc/26/75/15/567267515.db2.gz IMZRZEOYBIYKQK-KPZWWZAWSA-N -1 3 384.314 3.391 10 0 GGAEHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@]2(O)CCCC(C)(C)C2)s1 ZINC000525836270 567268715 /nfs/dbraw/zinc/26/87/15/567268715.db2.gz PWWMFQVZFMNYQR-AWEZNQCLSA-N -1 3 396.372 3.429 10 0 GGAEHM CCCc1nc(=NC(=O)NC[C@H](c2ccc(SC)cc2)N(C)C)s[n-]1 ZINC000455388129 567269175 /nfs/dbraw/zinc/26/91/75/567269175.db2.gz ZLVJBTPUFRBEFY-CQSZACIVSA-N -1 3 379.555 3.059 10 0 GGAEHM C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000660161201 567272256 /nfs/dbraw/zinc/27/22/56/567272256.db2.gz DNBWANWYDLWAEZ-ZUZCIYMTSA-N -1 3 377.359 3.245 10 0 GGAEHM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccccc1 ZINC000660161571 567273027 /nfs/dbraw/zinc/27/30/27/567273027.db2.gz GNBOLJWRJCIWSU-BMIGLBTASA-N -1 3 377.359 3.245 10 0 GGAEHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000660163482 567273096 /nfs/dbraw/zinc/27/30/96/567273096.db2.gz VFNYHOVZESQTGZ-MEBBXXQBSA-N -1 3 377.359 3.245 10 0 GGAEHM COc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)O)c(Cl)c1Cl ZINC000660164082 567273112 /nfs/dbraw/zinc/27/31/12/567273112.db2.gz XKNKLJOIBJYLOK-HWPZZCPQSA-N -1 3 390.288 3.402 10 0 GGAEHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)O)s1 ZINC000660162163 567273151 /nfs/dbraw/zinc/27/31/51/567273151.db2.gz KTHSODIQNIDWTM-GWCFXTLKSA-N -1 3 390.324 3.219 10 0 GGAEHM O=S(=O)([N-][C@H](c1ccncc1)C1(CO)CCC1)c1cc(F)ccc1Cl ZINC000660165032 567273366 /nfs/dbraw/zinc/27/33/66/567273366.db2.gz BKIOOAFALIEQIF-MRXNPFEDSA-N -1 3 384.860 3.056 10 0 GGAEHM C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccccc1 ZINC000660162843 567273529 /nfs/dbraw/zinc/27/35/29/567273529.db2.gz PZZQOGIDLSZVMA-BONVTDFDSA-N -1 3 377.359 3.245 10 0 GGAEHM O=S(=O)([N-][C@H](c1ccc(Cl)cc1)C(F)(F)F)c1cnc2n1CCC2 ZINC000525866247 567273658 /nfs/dbraw/zinc/27/36/58/567273658.db2.gz TYUAOODZGPKDMZ-CYBMUJFWSA-N -1 3 379.791 3.065 10 0 GGAEHM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000660163479 567274086 /nfs/dbraw/zinc/27/40/86/567274086.db2.gz VFNYHOVZESQTGZ-BMIGLBTASA-N -1 3 377.359 3.245 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-][C@H](c2ccncc2)C2(CO)CCC2)sc1Cl ZINC000660165808 567274887 /nfs/dbraw/zinc/27/48/87/567274887.db2.gz VQMSBHYAYHTQRA-CQSZACIVSA-N -1 3 386.926 3.287 10 0 GGAEHM O=S(=O)([N-][C@H](c1ccncc1)C1(CO)CCC1)c1ccc(Cl)cc1F ZINC000660166948 567275488 /nfs/dbraw/zinc/27/54/88/567275488.db2.gz VQYRCWPNDVFLAG-MRXNPFEDSA-N -1 3 384.860 3.056 10 0 GGAEHM O=S(=O)([N-][C@H](c1ccncc1)C1(CO)CCC1)c1cc(F)cc(Cl)c1 ZINC000660166321 567275518 /nfs/dbraw/zinc/27/55/18/567275518.db2.gz ODHJUBUKSJJBMX-MRXNPFEDSA-N -1 3 384.860 3.056 10 0 GGAEHM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000567764789 567275660 /nfs/dbraw/zinc/27/56/60/567275660.db2.gz VSVRRLLFDSTAFI-VIFPVBQESA-N -1 3 398.706 3.113 10 0 GGAEHM COc1ccc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)c(Br)c1[O-] ZINC000685441076 567276093 /nfs/dbraw/zinc/27/60/93/567276093.db2.gz SZRKWGNPYVWRSK-KCJUWKMLSA-N -1 3 384.192 3.315 10 0 GGAEHM COc1ccc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)c(Br)c1[O-] ZINC000685441077 567276237 /nfs/dbraw/zinc/27/62/37/567276237.db2.gz SZRKWGNPYVWRSK-KWQFWETISA-N -1 3 384.192 3.315 10 0 GGAEHM COc1ccc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)c(Br)c1[O-] ZINC000685441078 567276254 /nfs/dbraw/zinc/27/62/54/567276254.db2.gz SZRKWGNPYVWRSK-LDYMZIIASA-N -1 3 384.192 3.315 10 0 GGAEHM CCOC(=O)c1cnc([N-]C(=O)Nc2cc(Br)cc(OC)c2)n1C ZINC000591342570 567276497 /nfs/dbraw/zinc/27/64/97/567276497.db2.gz ZGMWQOWOCFTMLT-UHFFFAOYSA-N -1 3 397.229 3.012 10 0 GGAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2COc3c2ccc(Cl)c3Cl)s1 ZINC000433840369 567276937 /nfs/dbraw/zinc/27/69/37/567276937.db2.gz DOLJHMGKYLJPMC-JTQLQIEISA-N -1 3 379.290 3.479 10 0 GGAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2COc3c2ccc(Cl)c3Cl)s1 ZINC000433840370 567277538 /nfs/dbraw/zinc/27/75/38/567277538.db2.gz DOLJHMGKYLJPMC-SNVBAGLBSA-N -1 3 379.290 3.479 10 0 GGAEHM O=S(=O)([N-][C@@H]1CCOC2(CCCCC2)C1)c1cnccc1C(F)(F)F ZINC000525950663 567277915 /nfs/dbraw/zinc/27/79/15/567277915.db2.gz DSUBHYWSNGXANC-GFCCVEGCSA-N -1 3 378.416 3.261 10 0 GGAEHM CO[C@@H](C)c1nc(CNC(=O)Cc2ccc(Br)cc2[O-])cs1 ZINC000548077234 567278575 /nfs/dbraw/zinc/27/85/75/567278575.db2.gz HAJVCNWNYLVABG-VIFPVBQESA-N -1 3 385.283 3.178 10 0 GGAEHM COC(=O)CCc1ccc(NC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000548074014 567278710 /nfs/dbraw/zinc/27/87/10/567278710.db2.gz CZQDFHPIUZMVBS-UHFFFAOYSA-N -1 3 392.249 3.442 10 0 GGAEHM CC(C)Oc1cc(Br)ccc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000525967361 567279060 /nfs/dbraw/zinc/27/90/60/567279060.db2.gz GQDRDYPFWNVIJF-CQSZACIVSA-N -1 3 394.269 3.485 10 0 GGAEHM COc1cc(=NC(=O)C2(c3cccc(Br)c3)CCCC2)[n-]n1C ZINC000548145437 567283167 /nfs/dbraw/zinc/28/31/67/567283167.db2.gz RUBRZORTLZOAOI-UHFFFAOYSA-N -1 3 378.270 3.064 10 0 GGAEHM COc1cc(=NC(=O)CCSc2ccnc3cc(Cl)ccc32)[n-]n1C ZINC000548144514 567283564 /nfs/dbraw/zinc/28/35/64/567283564.db2.gz TVUSRQQGVXQGFV-UHFFFAOYSA-N -1 3 376.869 3.173 10 0 GGAEHM COC(=O)c1[n-]c(=NCC2(c3cccc(Cl)c3)CCOCC2)sc1C ZINC000434079774 567292267 /nfs/dbraw/zinc/29/22/67/567292267.db2.gz RXAGSMDASONYJY-UHFFFAOYSA-N -1 3 380.897 3.474 10 0 GGAEHM CCOc1cc(CNCc2cn3ccccc3n2)cc(Br)c1[O-] ZINC000500065454 567296549 /nfs/dbraw/zinc/29/65/49/567296549.db2.gz SOOWVZURDALOAO-UHFFFAOYSA-N -1 3 376.254 3.491 10 0 GGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)C1(c2cccc(Br)c2)CC1 ZINC000526960142 567299584 /nfs/dbraw/zinc/29/95/84/567299584.db2.gz QYOOVAKPUHMIND-AWEZNQCLSA-N -1 3 376.254 3.116 10 0 GGAEHM Cc1ccc(O[C@@H](C)C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(Br)c1 ZINC000526960033 567299749 /nfs/dbraw/zinc/29/97/49/567299749.db2.gz DHUFQTQOBNMCOR-XHDPSFHLSA-N -1 3 394.269 3.160 10 0 GGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1c[nH]c2cccc(Br)c21 ZINC000526959230 567300166 /nfs/dbraw/zinc/30/01/66/567300166.db2.gz BTMKKKDBNVWUFU-ZDUSSCGKSA-N -1 3 375.226 3.179 10 0 GGAEHM Cn1c(C[N-]S(=O)(=O)c2c(F)cccc2Cl)nc2cccc(Cl)c21 ZINC000476221056 567306640 /nfs/dbraw/zinc/30/66/40/567306640.db2.gz RPWHKBATQCOMJD-UHFFFAOYSA-N -1 3 388.251 3.498 10 0 GGAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC2CC(C)(C)C2)s1 ZINC000548373633 567310597 /nfs/dbraw/zinc/31/05/97/567310597.db2.gz ADGHUCZPKDZDAY-UHFFFAOYSA-N -1 3 386.583 3.167 10 0 GGAEHM CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000500284118 567310739 /nfs/dbraw/zinc/31/07/39/567310739.db2.gz SOFDLYKYTCWXNS-CYBMUJFWSA-N -1 3 398.297 3.278 10 0 GGAEHM COc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000548368226 567310651 /nfs/dbraw/zinc/31/06/51/567310651.db2.gz BNEVRAZRWKZADW-UHFFFAOYSA-N -1 3 377.491 3.167 10 0 GGAEHM COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]C[C@H](C)CC(F)F ZINC000592067826 567312828 /nfs/dbraw/zinc/31/28/28/567312828.db2.gz SXSIPMXCNDLWQJ-MRVPVSSYSA-N -1 3 389.342 3.062 10 0 GGAEHM Cn1c2cc(F)ccc2nc1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000500328325 567313203 /nfs/dbraw/zinc/31/32/03/567313203.db2.gz YGLIEVHKHMRTAJ-UHFFFAOYSA-N -1 3 378.201 3.362 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCO[C@H](c2ccsc2)C1 ZINC000548405082 567313869 /nfs/dbraw/zinc/31/38/69/567313869.db2.gz VORLMWQNRZOYQH-HNNXBMFYSA-N -1 3 382.279 3.359 10 0 GGAEHM CC(=O)N1CCc2c1cccc2NC(=O)Cc1ccc(Br)cc1[O-] ZINC000548406575 567313954 /nfs/dbraw/zinc/31/39/54/567313954.db2.gz MHUNFIHRNQEGIB-UHFFFAOYSA-N -1 3 389.249 3.245 10 0 GGAEHM Cc1cc(C(=O)N2CCN(Cc3ccc(Br)cc3)CC2)ccc1[O-] ZINC000500329880 567313891 /nfs/dbraw/zinc/31/38/91/567313891.db2.gz VOUHSDDPXFJFFN-UHFFFAOYSA-N -1 3 389.293 3.421 10 0 GGAEHM C[C@H]1CCN(C(=O)Cc2ccc(Br)cc2[O-])C[C@@H]1n1ccnc1 ZINC000548405265 567313969 /nfs/dbraw/zinc/31/39/69/567313969.db2.gz IWFXMKQYSDEQOY-WFASDCNBSA-N -1 3 378.270 3.003 10 0 GGAEHM CC(C)(C)OC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2[O-])CC1 ZINC000548402482 567313984 /nfs/dbraw/zinc/31/39/84/567313984.db2.gz WZYAHRPILKDDNC-UHFFFAOYSA-N -1 3 398.297 3.278 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N(Cc1ccco1)C[C@H]1CCCO1 ZINC000548407020 567314040 /nfs/dbraw/zinc/31/40/40/567314040.db2.gz FIWOGINUWNCRRY-MRXNPFEDSA-N -1 3 394.265 3.498 10 0 GGAEHM COc1cccc(OCCCNC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000548401260 567314149 /nfs/dbraw/zinc/31/41/49/567314149.db2.gz CPQKQFKLGFDRDA-UHFFFAOYSA-N -1 3 394.265 3.291 10 0 GGAEHM COCCN(Cc1ccc(C)o1)C(=O)Cc1ccc(Br)cc1[O-] ZINC000548406948 567314314 /nfs/dbraw/zinc/31/43/14/567314314.db2.gz GASMJQRWFBHDJO-UHFFFAOYSA-N -1 3 382.254 3.274 10 0 GGAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)[C@@H]1SC ZINC000592103141 567315285 /nfs/dbraw/zinc/31/52/85/567315285.db2.gz CQRJXQCWDSTQEQ-WZRBSPASSA-N -1 3 387.420 3.032 10 0 GGAEHM Cc1nccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1Br ZINC000527112241 567316067 /nfs/dbraw/zinc/31/60/67/567316067.db2.gz OORXMJRIKIHLTB-UHFFFAOYSA-N -1 3 397.294 3.214 10 0 GGAEHM O=C(NCc1ncccc1[O-])N[C@@H]1C[C@H]1c1ccc(Br)c(F)c1 ZINC000527173706 567317306 /nfs/dbraw/zinc/31/73/06/567317306.db2.gz XBXLUZRJHUIXKK-GXFFZTMASA-N -1 3 380.217 3.044 10 0 GGAEHM O=C(c1cc(Br)cc2ccccc21)N1CCc2c(=O)[n-]cnc2C1 ZINC000568324628 567319673 /nfs/dbraw/zinc/31/96/73/567319673.db2.gz OWEQTVXRVVVGTG-UHFFFAOYSA-N -1 3 384.233 3.296 10 0 GGAEHM CC[C@H](CNC(=O)N=c1cc(OC)n(C)[n-]1)Cc1cccc(Br)c1 ZINC000548496083 567319971 /nfs/dbraw/zinc/31/99/71/567319971.db2.gz CXVLERHXLFAVST-LBPRGKRZSA-N -1 3 395.301 3.004 10 0 GGAEHM COc1cc(=NC(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)[n-]n1C ZINC000548494001 567320584 /nfs/dbraw/zinc/32/05/84/567320584.db2.gz GKVRLPUEDCXPTF-UHFFFAOYSA-N -1 3 383.279 3.401 10 0 GGAEHM Cc1cc(=O)[n-]c(C(C)(C)NCc2nc3cc(Br)ccc3[nH]2)n1 ZINC000660752814 567324715 /nfs/dbraw/zinc/32/47/15/567324715.db2.gz ZSDZETHGHXHTHZ-UHFFFAOYSA-N -1 3 376.258 3.154 10 0 GGAEHM Cc1cc(=O)[n-]c(C(C)(C)NCc2nc3ccc(Br)cc3[nH]2)n1 ZINC000660752814 567324721 /nfs/dbraw/zinc/32/47/21/567324721.db2.gz ZSDZETHGHXHTHZ-UHFFFAOYSA-N -1 3 376.258 3.154 10 0 GGAEHM CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1nnc(OC)[n-]1 ZINC000476503790 567330020 /nfs/dbraw/zinc/33/00/20/567330020.db2.gz CZYWOMSXPNDBQH-UHFFFAOYSA-N -1 3 392.213 3.046 10 0 GGAEHM CCc1onc(-c2ccc(Br)cc2)c1C(=O)Nc1nc(OC)n[n-]1 ZINC000476503790 567330023 /nfs/dbraw/zinc/33/00/23/567330023.db2.gz CZYWOMSXPNDBQH-UHFFFAOYSA-N -1 3 392.213 3.046 10 0 GGAEHM CC1(C)CCCN1C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000568452767 567330331 /nfs/dbraw/zinc/33/03/31/567330331.db2.gz NHTGEDDQCGJLQR-UHFFFAOYSA-N -1 3 398.834 3.038 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]c2ccnc(C)c2Br)c(Cl)cc1F ZINC000527361959 567333161 /nfs/dbraw/zinc/33/31/61/567333161.db2.gz BMBPAHICHQMQEH-UHFFFAOYSA-N -1 3 393.665 3.476 10 0 GGAEHM Cn1nccc1[C@H](NCc1cc([O-])ccc1Br)C(=O)OC(C)(C)C ZINC000592379502 567333486 /nfs/dbraw/zinc/33/34/86/567333486.db2.gz PWTAIOKQVQVFIM-HNNXBMFYSA-N -1 3 396.285 3.061 10 0 GGAEHM COC[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1cccc(Cl)c1 ZINC000568555584 567337683 /nfs/dbraw/zinc/33/76/83/567337683.db2.gz SQCLBDWVNKOSAU-ZDUSSCGKSA-N -1 3 394.802 3.420 10 0 GGAEHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H]2CC23CCCC3)cc(C(F)(F)F)c1 ZINC000527470624 567338081 /nfs/dbraw/zinc/33/80/81/567338081.db2.gz XBPFSISGIDNXCH-CYBMUJFWSA-N -1 3 376.400 3.139 10 0 GGAEHM C[C@@H](NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)c1cscn1 ZINC000617821953 567338580 /nfs/dbraw/zinc/33/85/80/567338580.db2.gz DLVGLTLFQZPNBN-MRVPVSSYSA-N -1 3 393.412 3.024 10 0 GGAEHM C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000527483720 567338624 /nfs/dbraw/zinc/33/86/24/567338624.db2.gz OEDMEMRWEKXZHY-MEDUHNTESA-N -1 3 378.475 3.153 10 0 GGAEHM O=C(CSc1cccc(Br)c1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527500541 567339394 /nfs/dbraw/zinc/33/93/94/567339394.db2.gz VLCGEWNPTLZFEP-ZDUSSCGKSA-N -1 3 382.283 3.176 10 0 GGAEHM COc1ccc(CNC2(C(=O)Nc3ccccc3)CC2)c(Br)c1[O-] ZINC000548627685 567339526 /nfs/dbraw/zinc/33/95/26/567339526.db2.gz XVJWJQVMARCAKJ-UHFFFAOYSA-N -1 3 391.265 3.424 10 0 GGAEHM CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F)c1cccc(Cl)c1 ZINC000500710878 567341181 /nfs/dbraw/zinc/34/11/81/567341181.db2.gz MPDXRJMGVGKGOF-LBPRGKRZSA-N -1 3 384.860 3.199 10 0 GGAEHM CC(C)(NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCC1 ZINC000456141520 567345466 /nfs/dbraw/zinc/34/54/66/567345466.db2.gz CPMKAZHAELOROQ-UHFFFAOYSA-N -1 3 393.336 3.357 10 0 GGAEHM CC(=O)N(C)c1ccccc1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000548729152 567345459 /nfs/dbraw/zinc/34/54/59/567345459.db2.gz FUXYYMNZVSDGKU-UHFFFAOYSA-N -1 3 377.238 3.319 10 0 GGAEHM CC(C)(NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C1CCC1 ZINC000456168868 567347771 /nfs/dbraw/zinc/34/77/71/567347771.db2.gz OOVAVYLEDYTDHD-UHFFFAOYSA-N -1 3 378.416 3.385 10 0 GGAEHM Cc1cc([N-]C(=O)[C@H](C)N2CCc3ccc(F)c(Br)c3C2)on1 ZINC000527623282 567350819 /nfs/dbraw/zinc/35/08/19/567350819.db2.gz ZMBDZICONZRJLC-JTQLQIEISA-N -1 3 382.233 3.270 10 0 GGAEHM CC(C)[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccccc1F ZINC000617992485 567351545 /nfs/dbraw/zinc/35/15/45/567351545.db2.gz ZRHKKOXPKZULLX-QGZVFWFLSA-N -1 3 384.498 3.069 10 0 GGAEHM CC1=C[C@@H](C)CN(C(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)C1 ZINC000435270509 567353800 /nfs/dbraw/zinc/35/38/00/567353800.db2.gz SKUSNSHPLXPOEG-SNVBAGLBSA-N -1 3 376.400 3.115 10 0 GGAEHM CC(C)(C)c1ccc(NC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)c([O-])c1 ZINC000548855768 567355701 /nfs/dbraw/zinc/35/57/01/567355701.db2.gz HNRCNWJGOZFDBY-UHFFFAOYSA-N -1 3 382.869 3.243 10 0 GGAEHM CCC[C@H]([N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1)C1CCCCC1 ZINC000476900724 567356610 /nfs/dbraw/zinc/35/66/10/567356610.db2.gz BJMKOYOBVLELSE-KRWDZBQOSA-N -1 3 386.583 3.454 10 0 GGAEHM Cc1cncn1C1CCN(C(=O)Cc2ccc(Br)cc2[O-])CC1 ZINC000500992545 567357653 /nfs/dbraw/zinc/35/76/53/567357653.db2.gz YPYHMIGRMHBMOB-UHFFFAOYSA-N -1 3 378.270 3.066 10 0 GGAEHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c1 ZINC000501019638 567358390 /nfs/dbraw/zinc/35/83/90/567358390.db2.gz ALZHDCSTCAISRC-SNVBAGLBSA-N -1 3 397.285 3.371 10 0 GGAEHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000476929584 567359177 /nfs/dbraw/zinc/35/91/77/567359177.db2.gz XXJBGZXJWNFPKO-OAHLLOKOSA-N -1 3 382.279 3.478 10 0 GGAEHM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000568816507 567359236 /nfs/dbraw/zinc/35/92/36/567359236.db2.gz KIRWVWXHADANHS-SFYZADRCSA-N -1 3 390.221 3.170 10 0 GGAEHM O=C(c1cc(Br)cc2ccccc21)N1CCc2nc[n-]c(=O)c2C1 ZINC000476966107 567361168 /nfs/dbraw/zinc/36/11/68/567361168.db2.gz HLAHFCAHISCRIM-UHFFFAOYSA-N -1 3 384.233 3.296 10 0 GGAEHM COc1cc(Br)cc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c1 ZINC000548979820 567364296 /nfs/dbraw/zinc/36/42/96/567364296.db2.gz NDTWFOVSFZHCIR-UHFFFAOYSA-N -1 3 390.221 3.325 10 0 GGAEHM Cc1csc(CCC(=O)Nc2cc(I)ccc2[O-])n1 ZINC000618238546 567364757 /nfs/dbraw/zinc/36/47/57/567364757.db2.gz JCCQXQBHIXBQKG-UHFFFAOYSA-N -1 3 388.230 3.333 10 0 GGAEHM O=S(=O)([N-]Cc1ncccc1F)c1c(Cl)cccc1Br ZINC000548992125 567365508 /nfs/dbraw/zinc/36/55/08/567365508.db2.gz FKWMDOXDHPVEBC-UHFFFAOYSA-N 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VLSDHJLQANSZNJ-UHFFFAOYSA-N -1 3 375.235 3.182 10 0 GGAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(Cl)c3)C2)c(C)o1 ZINC000435584419 567375428 /nfs/dbraw/zinc/37/54/28/567375428.db2.gz ORECTEDZKUCRIO-MQMHXKEQSA-N -1 3 383.853 3.253 10 0 GGAEHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000569053121 567375482 /nfs/dbraw/zinc/37/54/82/567375482.db2.gz KQYPMKGMRNPDDL-UHFFFAOYSA-N -1 3 383.853 3.304 10 0 GGAEHM CSc1ccc(CC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000435589531 567377012 /nfs/dbraw/zinc/37/70/12/567377012.db2.gz SSBFQBPZTQWAMX-UHFFFAOYSA-N -1 3 376.425 3.343 10 0 GGAEHM O=C([O-])[C@@H](CNCc1ccc(F)cc1I)CC1CC1 ZINC000593010006 567378284 /nfs/dbraw/zinc/37/82/84/567378284.db2.gz DYVOJNMTZCJIKA-LLVKDONJSA-N -1 3 377.197 3.021 10 0 GGAEHM CCOC(=O)C[C@@](C)(NC(=O)Cc1ccc(Br)cc1[O-])C(C)C ZINC000501319341 567380379 /nfs/dbraw/zinc/38/03/79/567380379.db2.gz MKLRKPUOBPAINK-QGZVFWFLSA-N -1 3 386.286 3.181 10 0 GGAEHM CCC(C)(C)[C@H](C)NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000661560139 567380678 /nfs/dbraw/zinc/38/06/78/567380678.db2.gz SSJCPQSDVOHYPB-ZDUSSCGKSA-N -1 3 387.571 3.025 10 0 GGAEHM CNC(=O)c1sc2[n-]c(Cc3cc(Br)cs3)nc(=O)c2c1C ZINC000435665543 567383099 /nfs/dbraw/zinc/38/30/99/567383099.db2.gz QMGKEHZYSDFHTC-UHFFFAOYSA-N -1 3 398.307 3.067 10 0 GGAEHM CCOCC(C)(C)C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000569166209 567383398 /nfs/dbraw/zinc/38/33/98/567383398.db2.gz DUHZBBYMTPSUJM-UHFFFAOYSA-N -1 3 384.723 3.444 10 0 GGAEHM COC(=O)c1sc2[n-]c(Cc3cc(Br)cs3)nc(=O)c2c1C ZINC000435664627 567383424 /nfs/dbraw/zinc/38/34/24/567383424.db2.gz NBOWISSDVKZALT-UHFFFAOYSA-N -1 3 399.291 3.494 10 0 GGAEHM C[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])c1ccc(NC(N)=O)cc1 ZINC000477266446 567384546 /nfs/dbraw/zinc/38/45/46/567384546.db2.gz VVIUBQFPXWCECF-SNVBAGLBSA-N -1 3 392.253 3.065 10 0 GGAEHM CCN(CC)c1ccc(CNC(=O)Cc2ccc(Br)cc2[O-])cn1 ZINC000477279114 567385015 /nfs/dbraw/zinc/38/50/15/567385015.db2.gz ISTCYTJTZLFAML-UHFFFAOYSA-N -1 3 392.297 3.255 10 0 GGAEHM CCNC(=O)c1ccc(C)c(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000477278791 567385603 /nfs/dbraw/zinc/38/56/03/567385603.db2.gz NQFPPKDSIDGDRQ-UHFFFAOYSA-N -1 3 391.265 3.394 10 0 GGAEHM CN(Cc1ccc2c(c1)OCO2)C(=O)Cc1ccc(Br)cc1[O-] ZINC000477292059 567387139 /nfs/dbraw/zinc/38/71/39/567387139.db2.gz OJLHZTBLBHOOPU-UHFFFAOYSA-N -1 3 378.222 3.085 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCN(c2ccccc2)CC1 ZINC000477310163 567388890 /nfs/dbraw/zinc/38/88/90/567388890.db2.gz SDCBKYPXLKXPIW-UHFFFAOYSA-N -1 3 375.266 3.046 10 0 GGAEHM CCOCCOc1ccc(Br)cc1S(=O)(=O)[N-]C1(C)CCC1 ZINC000501427427 567388794 /nfs/dbraw/zinc/38/87/94/567388794.db2.gz ZCFXVLBTFGZLAN-UHFFFAOYSA-N -1 3 392.315 3.085 10 0 GGAEHM C[C@@H](CNC(=O)Cc1ccc(Br)cc1[O-])Oc1ccccc1F ZINC000477356193 567389273 /nfs/dbraw/zinc/38/92/73/567389273.db2.gz XSVQVCHXUDYJTB-NSHDSACASA-N -1 3 382.229 3.420 10 0 GGAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)c(F)c2)s1 ZINC000618450783 567389673 /nfs/dbraw/zinc/38/96/73/567389673.db2.gz AFVMDLRKXMQRLP-VHSXEESVSA-N -1 3 388.461 3.263 10 0 GGAEHM C[C@H](CNC(=O)Cc1ccc(Br)cc1[O-])Oc1ccc(F)cc1 ZINC000477358901 567390394 /nfs/dbraw/zinc/39/03/94/567390394.db2.gz BHMPBJPUHVJCPT-LLVKDONJSA-N -1 3 382.229 3.420 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCCc1nc2cc(F)ccc2[nH]1 ZINC000477375507 567390888 /nfs/dbraw/zinc/39/08/88/567390888.db2.gz GJMBKMWETNIBCE-UHFFFAOYSA-N -1 3 392.228 3.072 10 0 GGAEHM Cc1ccc([C@H]2COCCN2C(=O)Cc2ccc(Br)cc2[O-])o1 ZINC000477377960 567391342 /nfs/dbraw/zinc/39/13/42/567391342.db2.gz KSMRUOKYCZTDSB-CQSZACIVSA-N -1 3 380.238 3.199 10 0 GGAEHM COc1cc(CCNC(=O)Cc2ccc(Br)cc2[O-])ccc1C ZINC000477363126 567391457 /nfs/dbraw/zinc/39/14/57/567391457.db2.gz QTOYVUFIHXTCGQ-UHFFFAOYSA-N -1 3 378.266 3.373 10 0 GGAEHM O=c1cc(CN2CCOC[C@H]2c2cccc(Br)c2)nc(C2CC2)[n-]1 ZINC000661732287 567391766 /nfs/dbraw/zinc/39/17/66/567391766.db2.gz MGNBMACRRMEXEF-INIZCTEOSA-N -1 3 390.281 3.396 10 0 GGAEHM Cn1cnc(-c2ccc(NC(=O)Cc3ccc(Br)cc3[O-])cc2)n1 ZINC000477417433 567392686 /nfs/dbraw/zinc/39/26/86/567392686.db2.gz LHYDMVPEKKUKLF-UHFFFAOYSA-N -1 3 387.237 3.131 10 0 GGAEHM CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000477392607 567393057 /nfs/dbraw/zinc/39/30/57/567393057.db2.gz SYIXKCLDTURHBS-ZDUSSCGKSA-N -1 3 384.270 3.030 10 0 GGAEHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2nscc2Br)n1 ZINC000593164724 567393069 /nfs/dbraw/zinc/39/30/69/567393069.db2.gz NXVVFZFGVMSLMY-UHFFFAOYSA-N -1 3 390.284 3.065 10 0 GGAEHM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000477418484 567393585 /nfs/dbraw/zinc/39/35/85/567393585.db2.gz IVSYTGXYOJHIPJ-KOLCDFICSA-N -1 3 382.379 3.000 10 0 GGAEHM C[C@H](CC(=O)c1ccccc1)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000477429914 567393865 /nfs/dbraw/zinc/39/38/65/567393865.db2.gz DRICGGHWUUYRGI-GFCCVEGCSA-N -1 3 376.250 3.475 10 0 GGAEHM C[C@@H](O)C[C@H](CNC(=O)Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000477422368 567394129 /nfs/dbraw/zinc/39/41/29/567394129.db2.gz DFUOOSMXJRCMRS-CZUORRHYSA-N -1 3 392.293 3.368 10 0 GGAEHM C[C@H](O)C[C@H](CNC(=O)Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000477422369 567394409 /nfs/dbraw/zinc/39/44/09/567394409.db2.gz DFUOOSMXJRCMRS-XJKSGUPXSA-N -1 3 392.293 3.368 10 0 GGAEHM O=C(NCc1ncccc1[O-])NCC1(Cc2ccc(Br)cc2)CC1 ZINC000661799664 567394643 /nfs/dbraw/zinc/39/46/43/567394643.db2.gz YXRCEBCXBGJSCP-UHFFFAOYSA-N -1 3 390.281 3.372 10 0 GGAEHM C[C@H](F)CC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000549522183 567395265 /nfs/dbraw/zinc/39/52/65/567395265.db2.gz KCLASAZKNYQLMF-ZETCQYMHSA-N -1 3 378.185 3.494 10 0 GGAEHM COc1cc(F)c(NC(=O)Cc2ccc(Br)cc2[O-])cc1OC ZINC000569379003 567400588 /nfs/dbraw/zinc/40/05/88/567400588.db2.gz LDCACXIZYXUNGN-UHFFFAOYSA-N -1 3 384.201 3.492 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CC[C@@H](Nc2ccccc2)C1 ZINC000477620100 567405406 /nfs/dbraw/zinc/40/54/06/567405406.db2.gz SSNUBROLSPGGAV-MRXNPFEDSA-N -1 3 375.266 3.410 10 0 GGAEHM CC(=O)Nc1ccc(CCNC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000477612804 567405475 /nfs/dbraw/zinc/40/54/75/567405475.db2.gz BGOJEPCNPXRALW-UHFFFAOYSA-N -1 3 391.265 3.015 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]Cc1cccc(C)c1 ZINC000528299952 567408627 /nfs/dbraw/zinc/40/86/27/567408627.db2.gz NZIDPZJODXDRNS-UHFFFAOYSA-N -1 3 375.368 3.381 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H](C)c1nc(C)cs1 ZINC000528320812 567410807 /nfs/dbraw/zinc/41/08/07/567410807.db2.gz UVXUGIIKXXFQTD-VIFPVBQESA-N -1 3 396.412 3.398 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]Cc1sc(C)nc1C ZINC000528337369 567412529 /nfs/dbraw/zinc/41/25/29/567412529.db2.gz XHYCFXNJNPDKDJ-UHFFFAOYSA-N -1 3 396.412 3.146 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H](C)c1ncc(C)s1 ZINC000528335850 567412687 /nfs/dbraw/zinc/41/26/87/567412687.db2.gz FAJKBDIDWZDRCG-VIFPVBQESA-N -1 3 396.412 3.398 10 0 GGAEHM CC(=O)N1CCc2cc(S(=O)(=O)[N-][C@@H]3CCCC(F)(F)C3)c(Cl)cc21 ZINC000528347062 567413260 /nfs/dbraw/zinc/41/32/60/567413260.db2.gz BDGDEBXEOOLRET-GFCCVEGCSA-N -1 3 392.855 3.105 10 0 GGAEHM CO[C@@H](CS(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000528347308 567414165 /nfs/dbraw/zinc/41/41/65/567414165.db2.gz ZIFPCRPIODLQBX-WBVHZDCISA-N -1 3 385.844 3.220 10 0 GGAEHM Cc1cccc2sc(C(=O)Nc3[n-]nnc3C(=O)NC3CC3)c(Cl)c21 ZINC000662173240 567414701 /nfs/dbraw/zinc/41/47/01/567414701.db2.gz CEIMMWIGMNDBME-UHFFFAOYSA-N -1 3 375.841 3.126 10 0 GGAEHM Cc1cccc2sc(C(=O)Nc3nn[n-]c3C(=O)NC3CC3)c(Cl)c21 ZINC000662173240 567414704 /nfs/dbraw/zinc/41/47/04/567414704.db2.gz CEIMMWIGMNDBME-UHFFFAOYSA-N -1 3 375.841 3.126 10 0 GGAEHM Cc1cccc2sc(C(=O)Nc3n[n-]nc3C(=O)NC3CC3)c(Cl)c21 ZINC000662173240 567414710 /nfs/dbraw/zinc/41/47/10/567414710.db2.gz CEIMMWIGMNDBME-UHFFFAOYSA-N -1 3 375.841 3.126 10 0 GGAEHM COc1cc(C)c(S(=O)(=O)[N-][C@H](c2nccs2)C(F)(F)F)cc1OC ZINC000549916597 567417521 /nfs/dbraw/zinc/41/75/21/567417521.db2.gz UIRUPNCQMJMKGZ-GFCCVEGCSA-N -1 3 396.412 3.051 10 0 GGAEHM O=S(=O)([N-][C@@H](c1nccs1)C(F)(F)F)c1ccc2ncsc2c1 ZINC000549914602 567417608 /nfs/dbraw/zinc/41/76/08/567417608.db2.gz JIQGIAACXJVHGE-JTQLQIEISA-N -1 3 379.410 3.335 10 0 GGAEHM O=S(=O)([N-][C@H](c1nccs1)C(F)(F)F)c1ccc2ncsc2c1 ZINC000549914603 567418529 /nfs/dbraw/zinc/41/85/29/567418529.db2.gz JIQGIAACXJVHGE-SNVBAGLBSA-N -1 3 379.410 3.335 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H](C1CC1)C1CCC1 ZINC000528413410 567420120 /nfs/dbraw/zinc/42/01/20/567420120.db2.gz BWXLHHPBFQBZHJ-CQSZACIVSA-N -1 3 379.400 3.451 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CCC1 ZINC000528416533 567421732 /nfs/dbraw/zinc/42/17/32/567421732.db2.gz OLEIUTJYXPCAMU-RYUDHWBXSA-N -1 3 379.400 3.308 10 0 GGAEHM [O-]c1ccc(Br)c(CNCc2ncn(Cc3cccc(F)c3)n2)c1 ZINC000436411071 567422190 /nfs/dbraw/zinc/42/21/90/567422190.db2.gz PQTQXKBRVXKZPN-UHFFFAOYSA-N -1 3 391.244 3.223 10 0 GGAEHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000594031270 567454210 /nfs/dbraw/zinc/45/42/10/567454210.db2.gz WHAQVKGVNXTILZ-QWRGUYRKSA-N -1 3 381.361 3.052 10 0 GGAEHM O=S(=O)([N-]CC[C@H]1CCCOC1)c1ccc(Br)c(Cl)c1 ZINC000528446847 567422902 /nfs/dbraw/zinc/42/29/02/567422902.db2.gz CNXJCUHBISGSNJ-SNVBAGLBSA-N -1 3 382.707 3.198 10 0 GGAEHM O=S(=O)([N-]CC[C@@H]1CCCOC1)c1cc(Cl)cc(Br)c1 ZINC000528447823 567423208 /nfs/dbraw/zinc/42/32/08/567423208.db2.gz FPJXWKNJZZOWBO-JTQLQIEISA-N -1 3 382.707 3.198 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@@H](C)c1cscn1 ZINC000528430034 567423606 /nfs/dbraw/zinc/42/36/06/567423606.db2.gz JPIAXQOKWJPJRF-QMMMGPOBSA-N -1 3 382.385 3.090 10 0 GGAEHM C[C@H](NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1)C1CCCC1 ZINC000456889098 567423629 /nfs/dbraw/zinc/42/36/29/567423629.db2.gz OHCDELDERDEXKS-LBPRGKRZSA-N -1 3 382.507 3.128 10 0 GGAEHM O=S(=O)([N-]CC[C@H]1CCCOC1)c1cc(Cl)cc(Br)c1 ZINC000528447825 567423803 /nfs/dbraw/zinc/42/38/03/567423803.db2.gz FPJXWKNJZZOWBO-SNVBAGLBSA-N -1 3 382.707 3.198 10 0 GGAEHM C[C@H](NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C1CCCC1 ZINC000456896310 567424286 /nfs/dbraw/zinc/42/42/86/567424286.db2.gz NEDKZWSNKZVFFL-JTQLQIEISA-N -1 3 378.416 3.385 10 0 GGAEHM CC[C@](C)(NC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1)C1CC1 ZINC000618959745 567427606 /nfs/dbraw/zinc/42/76/06/567427606.db2.gz FHFRWTSLIRRAEW-HNNXBMFYSA-N -1 3 378.416 3.385 10 0 GGAEHM Cc1cc(CS(=O)(=O)[N-][C@H](C)c2cc(F)c(Br)cc2F)no1 ZINC000528477985 567427861 /nfs/dbraw/zinc/42/78/61/567427861.db2.gz NNNLMEOHPBZXGW-MRVPVSSYSA-N -1 3 395.225 3.204 10 0 GGAEHM CC[C@@](C)(NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000618956660 567428141 /nfs/dbraw/zinc/42/81/41/567428141.db2.gz JHKUUAIRAOAWBM-MRXNPFEDSA-N -1 3 393.336 3.357 10 0 GGAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](CC)c1ccccc1F ZINC000593643333 567430901 /nfs/dbraw/zinc/43/09/01/567430901.db2.gz VDXZFBAKTWGYJM-QWHCGFSZSA-N -1 3 385.379 3.080 10 0 GGAEHM COC(=O)[C@@H](C[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl)CC1CC1 ZINC000593639579 567431437 /nfs/dbraw/zinc/43/14/37/567431437.db2.gz RHRDTXWYLWDFLJ-SECBINFHSA-N -1 3 386.322 3.064 10 0 GGAEHM CS[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H]1N1CCCC1 ZINC000436530776 567431548 /nfs/dbraw/zinc/43/15/48/567431548.db2.gz FXQWKPKLHNEPQM-TZMCWYRMSA-N -1 3 375.321 3.351 10 0 GGAEHM CN1CC[C@H](NC(=O)c2ccc(Br)cc2[O-])[C@@H]1c1ccccc1 ZINC000436524735 567431962 /nfs/dbraw/zinc/43/19/62/567431962.db2.gz KJKBJQGNVUORHO-RDJZCZTQSA-N -1 3 375.266 3.330 10 0 GGAEHM CN1CCO[C@H](CSCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000569810284 567434418 /nfs/dbraw/zinc/43/44/18/567434418.db2.gz GXUAIMKNQDHRPN-NSHDSACASA-N -1 3 377.491 3.221 10 0 GGAEHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccsc2)cc1Cl ZINC000528546216 567435796 /nfs/dbraw/zinc/43/57/96/567435796.db2.gz SCHNCUMTBDOMSH-GXFFZTMASA-N -1 3 388.873 3.333 10 0 GGAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000528548372 567436073 /nfs/dbraw/zinc/43/60/73/567436073.db2.gz JNLMXYIMDKWFNQ-NMSKTSORSA-N -1 3 382.707 3.193 10 0 GGAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000528548373 567436316 /nfs/dbraw/zinc/43/63/16/567436316.db2.gz JNLMXYIMDKWFNQ-VXFNFUGZSA-N -1 3 382.707 3.193 10 0 GGAEHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCN2C2CCCC2)c(Cl)c1Cl ZINC000528556459 567437646 /nfs/dbraw/zinc/43/76/46/567437646.db2.gz ZOJRZACNAFEPSC-GFCCVEGCSA-N -1 3 393.336 3.297 10 0 GGAEHM COc1ccc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cc1Cl ZINC000569872898 567439211 /nfs/dbraw/zinc/43/92/11/567439211.db2.gz HMIRPEKITQZGGT-UHFFFAOYSA-N -1 3 379.825 3.437 10 0 GGAEHM COc1cc(=NC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)[n-]n1C ZINC000569896403 567442239 /nfs/dbraw/zinc/44/22/39/567442239.db2.gz CCWIYBCDKAGCSJ-GFCCVEGCSA-N -1 3 380.729 3.068 10 0 GGAEHM CC(C)(C)OC(=O)c1cnc(C(=O)Nc2cc(Br)ccc2[O-])cn1 ZINC000436707910 567443783 /nfs/dbraw/zinc/44/37/83/567443783.db2.gz YVHDYFNZLOFOCU-UHFFFAOYSA-N -1 3 394.225 3.152 10 0 GGAEHM CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc(Br)cc1[O-] ZINC000593885764 567444492 /nfs/dbraw/zinc/44/44/92/567444492.db2.gz GYBOUVGGFCFLSI-CYBMUJFWSA-N -1 3 386.286 3.276 10 0 GGAEHM O=C1COc2cc(-c3nc(-c4ccc([O-])cc4)no3)c(Br)cc2N1 ZINC000436725567 567445500 /nfs/dbraw/zinc/44/55/00/567445500.db2.gz XXJXNQSDMFEMBL-UHFFFAOYSA-N -1 3 388.177 3.203 10 0 GGAEHM COCC1([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCC1 ZINC000569942822 567446705 /nfs/dbraw/zinc/44/67/05/567446705.db2.gz YLDYBHXQLRHKSA-UHFFFAOYSA-N -1 3 382.707 3.340 10 0 GGAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCCCc2ccccc21 ZINC000502677079 567446966 /nfs/dbraw/zinc/44/69/66/567446966.db2.gz USVGLEPUNVKINA-UHFFFAOYSA-N -1 3 384.910 3.049 10 0 GGAEHM CCN(CC1CCC1)C(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000478301175 567447053 /nfs/dbraw/zinc/44/70/53/567447053.db2.gz FTOYRWOFLKZZAX-UHFFFAOYSA-N -1 3 382.507 3.082 10 0 GGAEHM CCc1ccc(C(=O)N(CCO)Cc2cc(Br)cs2)c([O-])c1 ZINC000436819024 567454894 /nfs/dbraw/zinc/45/48/94/567454894.db2.gz MAYIDMKTLGFSNZ-UHFFFAOYSA-N -1 3 384.295 3.413 10 0 GGAEHM Cc1ccc(C[C@@H](CO)NC(=O)Cc2ccc(Br)cc2[O-])cc1C ZINC000457298690 567455120 /nfs/dbraw/zinc/45/51/20/567455120.db2.gz SDDJSGRUJAUQCL-KRWDZBQOSA-N -1 3 392.293 3.034 10 0 GGAEHM Cc1ccc(C[C@H](CO)NC(=O)Cc2ccc(Br)cc2[O-])cc1C ZINC000457298693 567455167 /nfs/dbraw/zinc/45/51/67/567455167.db2.gz SDDJSGRUJAUQCL-QGZVFWFLSA-N -1 3 392.293 3.034 10 0 GGAEHM Cc1ccc([O-])c(CN(CCn2ccnc2)Cc2ccc(Br)o2)n1 ZINC000570079397 567457316 /nfs/dbraw/zinc/45/73/16/567457316.db2.gz NTMQHGKBJGGSBD-UHFFFAOYSA-N -1 3 391.269 3.350 10 0 GGAEHM CC(C)(C)C1CN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000457327631 567457977 /nfs/dbraw/zinc/45/79/77/567457977.db2.gz KRAOQGZVHKBWDS-UHFFFAOYSA-N -1 3 393.336 3.166 10 0 GGAEHM COc1cc(OC)c(OC)cc1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000478459009 567458607 /nfs/dbraw/zinc/45/86/07/567458607.db2.gz MKWRVCPSLRYXPN-UHFFFAOYSA-N -1 3 396.237 3.362 10 0 GGAEHM CCOC(=O)c1sc2ncc(S(=O)(=O)[N-]C(C)(C)C(F)F)cc2c1C ZINC000619503143 567460310 /nfs/dbraw/zinc/46/03/10/567460310.db2.gz ZEMYESHBRWBIAA-UHFFFAOYSA-N -1 3 392.449 3.103 10 0 GGAEHM CCc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1F ZINC000502957274 567462079 /nfs/dbraw/zinc/46/20/79/567462079.db2.gz SGBNCKSPLNNCPI-UHFFFAOYSA-N -1 3 376.862 3.020 10 0 GGAEHM CC[C@H](CC(F)F)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000457403665 567463020 /nfs/dbraw/zinc/46/30/20/567463020.db2.gz PCONOTCLYQJMGB-SECBINFHSA-N -1 3 388.358 3.147 10 0 GGAEHM COc1cccc([C@@H]2CN(C(=O)c3cc([O-])cc(Br)c3)CCO2)c1 ZINC000528842595 567463009 /nfs/dbraw/zinc/46/30/09/567463009.db2.gz DQXYUPFZAWOWAM-KRWDZBQOSA-N -1 3 392.249 3.377 10 0 GGAEHM Cc1cc(NC(=O)c2cc([O-])cc(Br)c2)n(C2CCOCC2)n1 ZINC000528866880 567464109 /nfs/dbraw/zinc/46/41/09/567464109.db2.gz OWYGXTLGGFZVBE-UHFFFAOYSA-N -1 3 380.242 3.263 10 0 GGAEHM COCCOc1ccc(Br)cc1NC(=O)c1cccc(OC)c1[O-] ZINC000436893718 567464326 /nfs/dbraw/zinc/46/43/26/567464326.db2.gz OEXRPKIZRHYILS-UHFFFAOYSA-N -1 3 396.237 3.441 10 0 GGAEHM Cc1cc(C(=O)NCc2ccc([O-])c(Br)c2)c(C)n1[C@@H]1CCOC1 ZINC000528867804 567464501 /nfs/dbraw/zinc/46/45/01/567464501.db2.gz WHUANUKNJVXXEM-CQSZACIVSA-N -1 3 393.281 3.464 10 0 GGAEHM 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378.266 3.492 10 0 GGAEHM Cc1ncc([N-]S(=O)(=O)Cc2ccccc2Br)c(C2CC2)n1 ZINC000571081316 567536093 /nfs/dbraw/zinc/53/60/93/567536093.db2.gz JQYBDWPVMUXTFN-UHFFFAOYSA-N -1 3 382.283 3.367 10 0 GGAEHM C[C@@]1(CNC(=O)Cc2ccc(Br)cc2[O-])COc2ccccc2O1 ZINC000529618666 567536685 /nfs/dbraw/zinc/53/66/85/567536685.db2.gz VAONVQDMTCKYES-GOSISDBHSA-N -1 3 392.249 3.044 10 0 GGAEHM CN1CCN(c2ccc(NC(=O)c3cc4cc(Cl)sc4[n-]3)cn2)CC1 ZINC000571111463 567537347 /nfs/dbraw/zinc/53/73/47/567537347.db2.gz PZQGSGAJZPIDCQ-UHFFFAOYSA-N -1 3 375.885 3.282 10 0 GGAEHM CN(C(=O)c1ccc2n[n-]nc2c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000438640232 567538671 /nfs/dbraw/zinc/53/86/71/567538671.db2.gz GJNLGTSJNJHSKD-HNNXBMFYSA-N -1 3 387.237 3.316 10 0 GGAEHM CC(=O)NCCN(Cc1ccc(Br)s1)Cc1nc(C)ccc1[O-] ZINC000504547282 567539863 /nfs/dbraw/zinc/53/98/63/567539863.db2.gz QJJJWCAQJVWTMT-UHFFFAOYSA-N -1 3 398.326 3.058 10 0 GGAEHM COCC[C@@H](NC(=O)N=c1cc(OC)n(C)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000551948813 567545142 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COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000505070745 567557149 /nfs/dbraw/zinc/55/71/49/567557149.db2.gz FJHOLNKUFQZSCB-MRVPVSSYSA-N -1 3 393.216 3.359 10 0 GGAEHM COc1cc(Br)ccc1[C@@H](C)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000505070745 567557154 /nfs/dbraw/zinc/55/71/54/567557154.db2.gz FJHOLNKUFQZSCB-MRVPVSSYSA-N -1 3 393.216 3.359 10 0 GGAEHM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2=O)s1 ZINC000438997251 567559877 /nfs/dbraw/zinc/55/98/77/567559877.db2.gz ISMQYCGPYQJQCO-AWEZNQCLSA-N -1 3 378.519 3.129 10 0 GGAEHM C[C@H](Cn1ncc2ccccc21)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000552128508 567562374 /nfs/dbraw/zinc/56/23/74/567562374.db2.gz DCDMOHAIDYHYBV-GFCCVEGCSA-N -1 3 388.265 3.457 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F)cc1Cl ZINC000595418891 567563662 /nfs/dbraw/zinc/56/36/62/567563662.db2.gz VCEBVICAUIBJCP-UHFFFAOYSA-N -1 3 387.807 3.384 10 0 GGAEHM Cc1nccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1Cl ZINC000644635031 567567355 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385.302 3.042 10 0 GGAEHM O=C([O-])[C@@H](CNCc1nc(-c2cccc(Br)c2)c[nH]1)C1CCC1 ZINC000665361559 567622890 /nfs/dbraw/zinc/62/28/90/567622890.db2.gz RQJVRCQWDMJDEC-AWEZNQCLSA-N -1 3 378.270 3.430 10 0 GGAEHM O=c1cc(CN[C@H]2CCOc3c(Br)cccc32)nc(C2CC2)[n-]1 ZINC000459425266 567623545 /nfs/dbraw/zinc/62/35/45/567623545.db2.gz BKVQWRXCXSMYIS-AWEZNQCLSA-N -1 3 376.254 3.436 10 0 GGAEHM Cc1c(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)coc1C(=O)N(C)C ZINC000645429250 567623595 /nfs/dbraw/zinc/62/35/95/567623595.db2.gz RDRJKHQQNKRFQD-UHFFFAOYSA-N -1 3 391.276 3.075 10 0 GGAEHM O=C(C[C@H]1CCCO1)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000530798518 567625133 /nfs/dbraw/zinc/62/51/33/567625133.db2.gz GVIPKVAPQUFTTD-SNVBAGLBSA-N -1 3 384.661 3.422 10 0 GGAEHM O=C(C[C@@H]1CCCO1)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000530798517 567625146 /nfs/dbraw/zinc/62/51/46/567625146.db2.gz GVIPKVAPQUFTTD-JTQLQIEISA-N -1 3 384.661 3.422 10 0 GGAEHM COc1ccc(S(=O)(=O)[N-]Cc2nccn2CC(C)C)c(Cl)c1Cl ZINC000553076539 567625462 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O=C(C[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000480810574 567632435 /nfs/dbraw/zinc/63/24/35/567632435.db2.gz YIGFFONQPITFGG-AWEZNQCLSA-N -1 3 375.837 3.028 10 0 GGAEHM CN(Cc1cccc([O-])c1Br)C1CCN(c2cnccn2)CC1 ZINC000459510647 567632609 /nfs/dbraw/zinc/63/26/09/567632609.db2.gz XCEWBVLYIKXYJU-UHFFFAOYSA-N -1 3 377.286 3.046 10 0 GGAEHM CCOc1cc(CN2C[C@H](O)Cc3ccccc32)cc(Br)c1[O-] ZINC000459513198 567632968 /nfs/dbraw/zinc/63/29/68/567632968.db2.gz ZXXAYJUTLNUQFE-CQSZACIVSA-N -1 3 378.266 3.477 10 0 GGAEHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(F)cc1Br)C1CCCCC1 ZINC000480844382 567634913 /nfs/dbraw/zinc/63/49/13/567634913.db2.gz OEWFUDXPIMHILJ-HNNXBMFYSA-N -1 3 394.306 3.198 10 0 GGAEHM Cc1cccc2cc(S(=O)(=O)[N-][C@H]3CCN(CC(F)(F)F)C3)sc21 ZINC000645505522 567635468 /nfs/dbraw/zinc/63/54/68/567635468.db2.gz WLYKCUVVRPIQJN-LBPRGKRZSA-N -1 3 378.441 3.125 10 0 GGAEHM CCOc1cc(CN2CCCC[C@@H]2CCC(=O)NC)cc(Br)c1[O-] ZINC000459549145 567636015 /nfs/dbraw/zinc/63/60/15/567636015.db2.gz 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ZINC000155965875 565073572 /nfs/dbraw/zinc/07/35/72/565073572.db2.gz OSGOYTIOIZGIRR-UHFFFAOYSA-N -1 3 395.428 3.070 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]C2CCN(C(=O)CC(C)C)CC2)c(Cl)cc1F ZINC000156198560 565075650 /nfs/dbraw/zinc/07/56/50/565075650.db2.gz JHDTZGIINFJSCX-UHFFFAOYSA-N -1 3 390.908 3.103 10 0 GGAEHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1nccs1 ZINC000156273881 565078213 /nfs/dbraw/zinc/07/82/13/565078213.db2.gz GKLJAPAYJHQTQC-SNVBAGLBSA-N -1 3 379.276 3.474 10 0 GGAEHM CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)c1nccs1 ZINC000156273758 565078574 /nfs/dbraw/zinc/07/85/74/565078574.db2.gz GKLJAPAYJHQTQC-JTQLQIEISA-N -1 3 379.276 3.474 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)[C@H]1OCCc2sccc21 ZINC000291891508 565083791 /nfs/dbraw/zinc/08/37/91/565083791.db2.gz IACFHNQVVBKASS-NOZJJQNGSA-N -1 3 392.424 3.143 10 0 GGAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000156737881 565104256 /nfs/dbraw/zinc/10/42/56/565104256.db2.gz LISPLVBQDSYGKP-VIFPVBQESA-N -1 3 389.807 3.444 10 0 GGAEHM C[C@H]1CCCC[C@@H]1NC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000156911353 565110302 /nfs/dbraw/zinc/11/03/02/565110302.db2.gz XQEBJMUWSJLJNZ-JSGCOSHPSA-N -1 3 382.507 3.128 10 0 GGAEHM Cc1noc([N-]C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)c1C ZINC000267219038 565110363 /nfs/dbraw/zinc/11/03/63/565110363.db2.gz NWKMDWKSVWCUAZ-UHFFFAOYSA-N -1 3 383.495 3.026 10 0 GGAEHM O=C([N-]c1nnc(C2CC2)s1)c1c(F)cccc1I ZINC000157033292 565116133 /nfs/dbraw/zinc/11/61/33/565116133.db2.gz XLRDQDYOSIEOMO-UHFFFAOYSA-N -1 3 389.193 3.412 10 0 GGAEHM C[C@@]12CCN(C(=O)NCc3ccc([O-])c(Br)c3)C[C@@H]1C2(F)F ZINC000292517586 565120080 /nfs/dbraw/zinc/12/00/80/565120080.db2.gz ICLBSAFGJDARQM-GXTWGEPZSA-N -1 3 375.213 3.341 10 0 GGAEHM C[C@H]1Cc2cc(S(=O)(=O)[N-][C@@H](c3nccs3)C(F)(F)F)ccc2O1 ZINC000292709571 565130165 /nfs/dbraw/zinc/13/01/65/565130165.db2.gz DWVSRRJCWQAWFP-UFBFGSQYSA-N -1 3 378.397 3.048 10 0 GGAEHM O=S(=O)([N-][C@H](c1nccs1)C(F)(F)F)c1ccc2c(c1)CCCO2 ZINC000292772537 565133091 /nfs/dbraw/zinc/13/30/91/565133091.db2.gz JULWOVUUXFEBLK-GFCCVEGCSA-N -1 3 378.397 3.050 10 0 GGAEHM COCCC1(C)CN(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)C1 ZINC000292986035 565144123 /nfs/dbraw/zinc/14/41/23/565144123.db2.gz JYERTSIFKJEEGM-SNAWJCMRSA-N -1 3 384.270 3.062 10 0 GGAEHM O=S(=O)(Cc1ccccc1Cl)[N-]Cc1noc(-c2cccc(F)c2)n1 ZINC000370468048 565144830 /nfs/dbraw/zinc/14/48/30/565144830.db2.gz GQELVLMNTOLUCF-UHFFFAOYSA-N -1 3 381.816 3.149 10 0 GGAEHM Cc1cc(CS(=O)(=O)[N-][C@@H](C)c2ccc(C(F)(F)F)nc2Cl)no1 ZINC000293036018 565147361 /nfs/dbraw/zinc/14/73/61/565147361.db2.gz JKZQNXYXHMHUOI-QMMMGPOBSA-N -1 3 383.779 3.231 10 0 GGAEHM COc1cc(/C=C/C(=O)N2CC[C@@]3(C2)CCCOC3)cc(Br)c1[O-] ZINC000370613608 565151512 /nfs/dbraw/zinc/15/15/12/565151512.db2.gz DAGRLWWSGDDMQN-OAJJDEHYSA-N -1 3 396.281 3.206 10 0 GGAEHM CS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2ncn(C3CCCCC3)n2)c1 ZINC000184897625 565163396 /nfs/dbraw/zinc/16/33/96/565163396.db2.gz JNHFGWSUEAXTQN-UHFFFAOYSA-N -1 3 382.873 3.093 10 0 GGAEHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C12CCOCC2 ZINC000185155018 565181825 /nfs/dbraw/zinc/18/18/25/565181825.db2.gz YHIIZDLOQNOOJW-KGLIPLIRSA-N -1 3 394.320 3.246 10 0 GGAEHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C12CCOCC2 ZINC000185152156 565181910 /nfs/dbraw/zinc/18/19/10/565181910.db2.gz QFCBNMNXLUZEDM-KGLIPLIRSA-N -1 3 394.320 3.246 10 0 GGAEHM Cn1c(NC(=O)c2n[n-]c(-c3ccccc3)c2Br)nnc1C1CC1 ZINC000617289219 565231463 /nfs/dbraw/zinc/23/14/63/565231463.db2.gz HJJFWBHTZIZRDC-UHFFFAOYSA-N -1 3 387.241 3.097 10 0 GGAEHM Cn1c(NC(=O)c2[n-]nc(-c3ccccc3)c2Br)nnc1C1CC1 ZINC000617289219 565231470 /nfs/dbraw/zinc/23/14/70/565231470.db2.gz HJJFWBHTZIZRDC-UHFFFAOYSA-N -1 3 387.241 3.097 10 0 GGAEHM C[C@@H]1CCN(C(=O)c2cnn3cc(Br)cnc23)c2c([O-])cccc21 ZINC000186285938 565252392 /nfs/dbraw/zinc/25/23/92/565252392.db2.gz ZLYJTMKPRIMLMW-SNVBAGLBSA-N -1 3 387.237 3.351 10 0 GGAEHM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-][C@@H](c1nc[nH]n1)c1ccccc1 ZINC000372878658 565259079 /nfs/dbraw/zinc/25/90/79/565259079.db2.gz PBLWRSXUAVPHSB-OAHLLOKOSA-N -1 3 397.287 3.321 10 0 GGAEHM COC(=O)c1cncc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000186612645 565272446 /nfs/dbraw/zinc/27/24/46/565272446.db2.gz SRMUUEXTFVVWIE-UHFFFAOYSA-N -1 3 375.233 3.117 10 0 GGAEHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000187161817 565313273 /nfs/dbraw/zinc/31/32/73/565313273.db2.gz APDCMTDYPBDDIJ-KBPBESRZSA-N -1 3 375.918 3.326 10 0 GGAEHM COc1cc(S(=O)(=O)[N-][C@H](C)C2CCCC2)c(OC)cc1Br ZINC000187217078 565317385 /nfs/dbraw/zinc/31/73/85/565317385.db2.gz JOFQEDYLUVHJAA-SNVBAGLBSA-N -1 3 392.315 3.323 10 0 GGAEHM Cc1ccc([C@H]2CN(C(=O)NCc3ccc([O-])c(Br)c3)CCO2)o1 ZINC000162468781 565317582 /nfs/dbraw/zinc/31/75/82/565317582.db2.gz ZIEZIQUICJKDHA-MRXNPFEDSA-N -1 3 395.253 3.339 10 0 GGAEHM O=S(=O)(C[C@H]1CCCC1(F)F)NCc1ccc([O-])c(Br)c1 ZINC000296476139 565319689 /nfs/dbraw/zinc/31/96/89/565319689.db2.gz YBBGNIYQALOBHI-SNVBAGLBSA-N -1 3 384.242 3.010 10 0 GGAEHM COc1cc(S(=O)(=O)[N-]C[C@H](C)C(C)C)c(OC)cc1Br ZINC000187315144 565323431 /nfs/dbraw/zinc/32/34/31/565323431.db2.gz OXNUIFNOKRKOKX-JTQLQIEISA-N -1 3 380.304 3.037 10 0 GGAEHM C[C@@H]1CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)c2ccccc21 ZINC000162722295 565325854 /nfs/dbraw/zinc/32/58/54/565325854.db2.gz DLXPHLAOOFDWJS-CZUORRHYSA-N -1 3 378.519 3.171 10 0 GGAEHM COc1ccc(CNC2(c3noc(C)n3)CCCC2)c(Br)c1[O-] ZINC000273584148 565326350 /nfs/dbraw/zinc/32/63/50/565326350.db2.gz BIQNGPHMWBJNNA-UHFFFAOYSA-N -1 3 382.258 3.414 10 0 GGAEHM CCOc1cc(CN2CCOC[C@@H]2CC(F)F)cc(Br)c1[O-] ZINC000297296422 565366516 /nfs/dbraw/zinc/36/65/16/565366516.db2.gz AEFKGOHDJPQKMI-NSHDSACASA-N -1 3 380.229 3.409 10 0 GGAEHM CCOc1cc(CN2CCC[C@@H](Cn3ccnn3)C2)cc(Br)c1[O-] ZINC000297309841 565367730 /nfs/dbraw/zinc/36/77/30/565367730.db2.gz BQIKTHBGBIANDE-CYBMUJFWSA-N -1 3 395.301 3.057 10 0 GGAEHM O=S(=O)(Cc1c(F)cccc1F)[N-]CCOCc1ccc(Cl)cc1 ZINC000165442219 565369406 /nfs/dbraw/zinc/36/94/06/565369406.db2.gz XYYCECYYNIIJRC-UHFFFAOYSA-N -1 3 375.824 3.254 10 0 GGAEHM CCOc1cc(CN2CCC3(CC2)OCCCO3)cc(Br)c1[O-] ZINC000297375182 565369941 /nfs/dbraw/zinc/36/99/41/565369941.db2.gz IAJARSYPDZXZDX-UHFFFAOYSA-N -1 3 386.286 3.282 10 0 GGAEHM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188095868 565377792 /nfs/dbraw/zinc/37/77/92/565377792.db2.gz IKDRIJMDKVNYMP-VIFPVBQESA-N -1 3 393.271 3.100 10 0 GGAEHM COc1ccc([N-]S(=O)(=O)Cc2ccc(C)c(F)c2)c(C(F)(F)F)n1 ZINC000170617344 565383576 /nfs/dbraw/zinc/38/35/76/565383576.db2.gz HSUHCWZJEJONQX-UHFFFAOYSA-N -1 3 378.347 3.498 10 0 GGAEHM CCOc1cc(CN2CCC(CCC(N)=O)CC2)cc(Br)c1[O-] ZINC000297858380 565390673 /nfs/dbraw/zinc/39/06/73/565390673.db2.gz OZMNAVQBEZVAEJ-UHFFFAOYSA-N -1 3 385.302 3.031 10 0 GGAEHM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1 ZINC000171090700 565407253 /nfs/dbraw/zinc/40/72/53/565407253.db2.gz OWNKSGJCZDPGEG-UHFFFAOYSA-N -1 3 376.331 3.005 10 0 GGAEHM NC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Br)ccc2Cl)c1 ZINC000171344365 565426989 /nfs/dbraw/zinc/42/69/89/565426989.db2.gz JFVNOISJGXVXGR-UHFFFAOYSA-N -1 3 389.658 3.002 10 0 GGAEHM O=S(=O)([N-]C1CCN(c2cccs2)CC1)c1cccnc1C(F)(F)F ZINC000376351844 565431991 /nfs/dbraw/zinc/43/19/91/565431991.db2.gz NSJBLKUOZLTBOY-UHFFFAOYSA-N -1 3 391.440 3.109 10 0 GGAEHM C[C@H]1OCC[C@H]1S(=O)(=O)[N-]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000275989150 565432612 /nfs/dbraw/zinc/43/26/12/565432612.db2.gz FYLDLQIVROMZED-BDJLRTHQSA-N -1 3 378.475 3.153 10 0 GGAEHM COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1OC ZINC000171599830 565439471 /nfs/dbraw/zinc/43/94/71/565439471.db2.gz YGJKHLCQZUGIGD-LLVKDONJSA-N -1 3 387.860 3.406 10 0 GGAEHM COc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000189150828 565447148 /nfs/dbraw/zinc/44/71/48/565447148.db2.gz BESXHNWBGQDOSJ-SECBINFHSA-N -1 3 378.347 3.288 10 0 GGAEHM COc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000189151618 565448329 /nfs/dbraw/zinc/44/83/29/565448329.db2.gz PMBVOTVFXVUSNH-VIFPVBQESA-N -1 3 389.246 3.031 10 0 GGAEHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C[C@H](O)CC(F)(F)F)CC1 ZINC000189605596 565477534 /nfs/dbraw/zinc/47/75/34/565477534.db2.gz DCVZYRXVQBZCEX-GFCCVEGCSA-N -1 3 380.794 3.009 10 0 GGAEHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2cccc(Br)c2C1 ZINC000172388643 565482584 /nfs/dbraw/zinc/48/25/84/565482584.db2.gz ZRYJYLDOENDHKY-UHFFFAOYSA-N -1 3 383.245 3.489 10 0 GGAEHM [O-]c1ccc(Br)c(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189905406 565496206 /nfs/dbraw/zinc/49/62/06/565496206.db2.gz PETOBLFXEZOOQQ-UHFFFAOYSA-N -1 3 377.286 3.077 10 0 GGAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]Cc1oc2ccccc2c1C ZINC000190091968 565507271 /nfs/dbraw/zinc/50/72/71/565507271.db2.gz PGVPDCMSMYRRGZ-UHFFFAOYSA-N -1 3 379.459 3.376 10 0 GGAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-]C[C@H](C)c1ccc(F)cc1F ZINC000190184142 565514348 /nfs/dbraw/zinc/51/43/48/565514348.db2.gz RBINAIDVCWWSLU-VIFPVBQESA-N -1 3 389.445 3.203 10 0 GGAEHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)OC ZINC000381308067 565541712 /nfs/dbraw/zinc/54/17/12/565541712.db2.gz SLARARUMMLHCEY-SKDRFNHKSA-N -1 3 384.723 3.442 10 0 GGAEHM CCC[C@@]1([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCOC1 ZINC000378714167 565538743 /nfs/dbraw/zinc/53/87/43/565538743.db2.gz WZDWPDRDRBYPIH-CYBMUJFWSA-N -1 3 382.707 3.340 10 0 GGAEHM CCC[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCOC1 ZINC000378714274 565538874 /nfs/dbraw/zinc/53/88/74/565538874.db2.gz XCWSDIAMVHEQBV-ZDUSSCGKSA-N -1 3 382.707 3.340 10 0 GGAEHM CC[C@H](C)N(C)CC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000380108713 565539982 /nfs/dbraw/zinc/53/99/82/565539982.db2.gz OPBJAKUZNWWNEB-JTQLQIEISA-N -1 3 383.739 3.111 10 0 GGAEHM Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000190529401 565540128 /nfs/dbraw/zinc/54/01/28/565540128.db2.gz WAPLYXBVCNGWFV-ZDUSSCGKSA-N -1 3 379.913 3.405 10 0 GGAEHM C[N-]S(=O)(=O)c1ccc(CNc2nn3cc(C4CCCC4)nc3s2)s1 ZINC000302422674 565540884 /nfs/dbraw/zinc/54/08/84/565540884.db2.gz JIDBMSPGGFIUKA-UHFFFAOYSA-N -1 3 397.551 3.030 10 0 GGAEHM CCC[C@@]1([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCOC1 ZINC000381136901 565541545 /nfs/dbraw/zinc/54/15/45/565541545.db2.gz PLHIDAGEYSDVFN-CYBMUJFWSA-N -1 3 382.707 3.340 10 0 GGAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)c2sc(C3CCCC3)nc2C)s1 ZINC000173269454 565541767 /nfs/dbraw/zinc/54/17/67/565541767.db2.gz YZAMMJXYAVKYQT-UHFFFAOYSA-N -1 3 399.563 3.009 10 0 GGAEHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)OC ZINC000381308065 565541801 /nfs/dbraw/zinc/54/18/01/565541801.db2.gz SLARARUMMLHCEY-CABZTGNLSA-N -1 3 384.723 3.442 10 0 GGAEHM O=S(=O)([N-][C@@H]1CCN2CCCC[C@H]12)c1c(Cl)cccc1Br ZINC000385913423 565546424 /nfs/dbraw/zinc/54/64/24/565546424.db2.gz HUYUCAXKQWYJDF-CHWSQXEVSA-N -1 3 393.734 3.008 10 0 GGAEHM O=S(=O)([N-][C@@H](CO)C1CCCCC1)c1c(Cl)cccc1Br ZINC000386193330 565546591 /nfs/dbraw/zinc/54/65/91/565546591.db2.gz QIKOVBREEGZCEI-ZDUSSCGKSA-N -1 3 396.734 3.322 10 0 GGAEHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2F)[C@@H]1c1cccs1 ZINC000173324123 565549280 /nfs/dbraw/zinc/54/92/80/565549280.db2.gz CGLGDUZXMGOFNH-YVEFUNNKSA-N -1 3 386.489 3.388 10 0 GGAEHM COc1cc(Br)c(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1OC ZINC000390991827 565559709 /nfs/dbraw/zinc/55/97/09/565559709.db2.gz GZTZLEZVKKBPCY-PKWAYOAASA-N -1 3 384.270 3.151 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H]1CCCC1(F)F ZINC000391073536 565559834 /nfs/dbraw/zinc/55/98/34/565559834.db2.gz MKFONEXQNODQNF-VIFPVBQESA-N -1 3 384.242 3.171 10 0 GGAEHM O=S(=O)([N-]CCCc1nccs1)c1ccc(Br)cc1Cl ZINC000391269588 565560484 /nfs/dbraw/zinc/56/04/84/565560484.db2.gz DKODPNWPRYCEBS-UHFFFAOYSA-N -1 3 395.731 3.470 10 0 GGAEHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000303089548 565566683 /nfs/dbraw/zinc/56/66/83/565566683.db2.gz HRHWZXDUEWWQNP-UPJWGTAASA-N -1 3 392.974 3.257 10 0 GGAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3cscn3)no2)ccc1F ZINC000278587325 565566993 /nfs/dbraw/zinc/56/69/93/565566993.db2.gz DTABRSXMJIDCEO-UHFFFAOYSA-N -1 3 382.442 3.076 10 0 GGAEHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000303171490 565568311 /nfs/dbraw/zinc/56/83/11/565568311.db2.gz JFKRRLHLLIYPHZ-HNNXBMFYSA-N -1 3 381.881 3.426 10 0 GGAEHM CC(C)(CO)CCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000393435519 565568968 /nfs/dbraw/zinc/56/89/68/565568968.db2.gz FLOMFFINRWTTMT-UHFFFAOYSA-N -1 3 384.723 3.180 10 0 GGAEHM O=S(=O)([N-][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(Br)cc1Br ZINC000397719030 565575973 /nfs/dbraw/zinc/57/59/73/565575973.db2.gz AGOWOYSBCIFKNF-DIYOJNKTSA-N -1 3 395.116 3.288 10 0 GGAEHM O=c1nc(CSC[C@H](O)C(F)(F)F)[n-]c2scc(-c3ccco3)c21 ZINC000191094862 565582063 /nfs/dbraw/zinc/58/20/63/565582063.db2.gz HWCWOZVULABLRA-VIFPVBQESA-N -1 3 376.381 3.401 10 0 GGAEHM O=c1nc(CSC[C@@H](O)C(F)(F)F)[n-]c2scc(-c3ccco3)c21 ZINC000191094879 565582148 /nfs/dbraw/zinc/58/21/48/565582148.db2.gz HWCWOZVULABLRA-SECBINFHSA-N -1 3 376.381 3.401 10 0 GGAEHM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)[C@H]2CCO[C@@H]21 ZINC000407976369 565588590 /nfs/dbraw/zinc/58/85/90/565588590.db2.gz NLYHSYPZHCFVEK-WQHBLYJGSA-N -1 3 394.718 3.194 10 0 GGAEHM O=S(=O)([N-][C@H]1CCc2ccccc2C1)c1ccc(Br)c(F)c1 ZINC000317864850 565595788 /nfs/dbraw/zinc/59/57/88/565595788.db2.gz VSUHLHVSVLVWDQ-ZDUSSCGKSA-N -1 3 384.270 3.424 10 0 GGAEHM C[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)C[C@@H](C)O1 ZINC000408271098 565602012 /nfs/dbraw/zinc/60/20/12/565602012.db2.gz UVTSAMJYLNAKPA-RKDXNWHRSA-N -1 3 399.672 3.193 10 0 GGAEHM C[C@@H]1CN(C(=O)c2cnc3c(Cl)cc(Br)cc3c2[O-])C[C@@H](C)O1 ZINC000408271098 565602016 /nfs/dbraw/zinc/60/20/16/565602016.db2.gz UVTSAMJYLNAKPA-RKDXNWHRSA-N -1 3 399.672 3.193 10 0 GGAEHM COc1cc(CN[C@@H](C)c2nnc3n2CCCCC3)cc(Br)c1[O-] ZINC000324446409 565617508 /nfs/dbraw/zinc/61/75/08/565617508.db2.gz GBEVTEMYJBCHLB-NSHDSACASA-N -1 3 395.301 3.332 10 0 GGAEHM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1Cc1nc(-c2cccc(Br)c2)no1 ZINC000326494314 565625290 /nfs/dbraw/zinc/62/52/90/565625290.db2.gz YNDJNICNXHHEDO-WHOFXGATSA-N -1 3 392.253 3.184 10 0 GGAEHM O=C1[C@@H](NCc2cc([O-])ccc2Br)CCN1Cc1ccc(F)cc1 ZINC000191766707 565629917 /nfs/dbraw/zinc/62/99/17/565629917.db2.gz QZEQPTZEELNADO-KRWDZBQOSA-N -1 3 393.256 3.185 10 0 GGAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(OC)c(F)c1 ZINC000327606787 565632097 /nfs/dbraw/zinc/63/20/97/565632097.db2.gz JNWHFSDNLBIOPT-SNVBAGLBSA-N -1 3 387.454 3.030 10 0 GGAEHM Cc1c2c(sc1NC(=O)CC[N-]S(=O)(=O)c1cccs1)CCCC2 ZINC000174394880 565632189 /nfs/dbraw/zinc/63/21/89/565632189.db2.gz KPAAMXKJTONNAC-UHFFFAOYSA-N -1 3 384.548 3.304 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(Cn3ccnc3)cc2)sc1Cl ZINC000191895442 565640500 /nfs/dbraw/zinc/64/05/00/565640500.db2.gz WHFABNTXWRSXJC-UHFFFAOYSA-N -1 3 381.910 3.433 10 0 GGAEHM CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000174696744 565652248 /nfs/dbraw/zinc/65/22/48/565652248.db2.gz XIYMVNZBEUFACO-UHFFFAOYSA-N -1 3 380.853 3.175 10 0 GGAEHM CCOC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)[C@@H](C)c1cccs1 ZINC000174735161 565654737 /nfs/dbraw/zinc/65/47/37/565654737.db2.gz KDNHUDAOYWTFBI-NSHDSACASA-N -1 3 380.491 3.453 10 0 GGAEHM Cc1nc([C@H](C)[N-]S(=O)(=O)c2nc(C)c(Br)s2)cs1 ZINC000329137489 565656154 /nfs/dbraw/zinc/65/61/54/565656154.db2.gz HOGMBQWCEZYODJ-YFKPBYRVSA-N -1 3 382.330 3.018 10 0 GGAEHM CC(C)(C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccccc1Br ZINC000410008932 565657265 /nfs/dbraw/zinc/65/72/65/565657265.db2.gz BYSNDSMFYFKTJP-CQSZACIVSA-N -1 3 378.270 3.362 10 0 GGAEHM Cn1nccc1[C@H]1CCCCN1C(=O)Cc1ccc(Br)cc1[O-] ZINC000410285739 565675673 /nfs/dbraw/zinc/67/56/73/565675673.db2.gz FHAKBMOERVOBMU-OAHLLOKOSA-N -1 3 378.270 3.185 10 0 GGAEHM CC(C)CC[C@](C)(O)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000175056938 565677623 /nfs/dbraw/zinc/67/76/23/565677623.db2.gz KUTKSJHRKQEMQZ-SFHVURJKSA-N -1 3 395.297 3.208 10 0 GGAEHM C[C@@H]1CC[C@H](C)N(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000175154090 565682904 /nfs/dbraw/zinc/68/29/04/565682904.db2.gz UEHGPGJELMPPRQ-NEPJUHHUSA-N -1 3 393.336 3.309 10 0 GGAEHM COc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N-]C(=O)c1sccc1F ZINC000410514515 565687681 /nfs/dbraw/zinc/68/76/81/565687681.db2.gz YTRVFVIASNWISU-UHFFFAOYSA-N -1 3 386.470 3.225 10 0 GGAEHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)c(OC)c1)c1nccs1 ZINC000175300290 565691458 /nfs/dbraw/zinc/69/14/58/565691458.db2.gz LFIWUJDJFXIDRD-NSHDSACASA-N -1 3 391.312 3.344 10 0 GGAEHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCO1 ZINC000330412413 565705044 /nfs/dbraw/zinc/70/50/44/565705044.db2.gz LXWJGVYHDFQXPE-ZJUUUORDSA-N -1 3 382.707 3.196 10 0 GGAEHM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000192677303 565705436 /nfs/dbraw/zinc/70/54/36/565705436.db2.gz NPKQHWXLAZLHCE-UHFFFAOYSA-N -1 3 395.834 3.230 10 0 GGAEHM CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000330419208 565705562 /nfs/dbraw/zinc/70/55/62/565705562.db2.gz QCDJKKWTAVCOTK-ZANVPECISA-N -1 3 384.723 3.178 10 0 GGAEHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000330411933 565705633 /nfs/dbraw/zinc/70/56/33/565705633.db2.gz LPFXALWNNGLENR-ZDUSSCGKSA-N -1 3 398.750 3.424 10 0 GGAEHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1nc2cc(Br)ccn2n1 ZINC000411045535 565707531 /nfs/dbraw/zinc/70/75/31/565707531.db2.gz KDDIYBYCRVYRHE-UHFFFAOYSA-N -1 3 378.230 3.239 10 0 GGAEHM CCc1nc(C2([N-]S(=O)(=O)Cc3ccc(Cl)c(F)c3)CCCC2)no1 ZINC000192752353 565709044 /nfs/dbraw/zinc/70/90/44/565709044.db2.gz CGJLDRXZJPBNKI-UHFFFAOYSA-N -1 3 387.864 3.313 10 0 GGAEHM CC[C@@H]([N-]S(=O)(=O)c1cc(OC)c(OC)cc1Cl)c1nccs1 ZINC000192819987 565711956 /nfs/dbraw/zinc/71/19/56/565711956.db2.gz MYQPPQCZAKCCNR-SNVBAGLBSA-N -1 3 376.887 3.243 10 0 GGAEHM C[C@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)[C@H](c2ccco2)C1 ZINC000175662187 565714729 /nfs/dbraw/zinc/71/47/29/565714729.db2.gz RVGFXWZYGDAOTC-KBPBESRZSA-N -1 3 382.507 3.009 10 0 GGAEHM C[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)[C@@H](c2ccco2)C1 ZINC000175662204 565714763 /nfs/dbraw/zinc/71/47/63/565714763.db2.gz RVGFXWZYGDAOTC-ZIAGYGMSSA-N -1 3 382.507 3.009 10 0 GGAEHM Cc1ccc(S(=O)(=O)[N-][C@H](C)C2CCN(CC(F)(F)F)CC2)c(F)c1 ZINC000192863936 565715645 /nfs/dbraw/zinc/71/56/45/565715645.db2.gz KUGLDNWMISSWPN-GFCCVEGCSA-N -1 3 382.423 3.075 10 0 GGAEHM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000330677911 565718161 /nfs/dbraw/zinc/71/81/61/565718161.db2.gz VXUKQYPQMHMQDK-BXUZGUMPSA-N -1 3 380.432 3.220 10 0 GGAEHM O=C([N-][C@H](c1ccc(Cl)cc1)C(F)(F)F)C(=O)NCCC(F)(F)F ZINC000411272374 565721762 /nfs/dbraw/zinc/72/17/62/565721762.db2.gz SLMOMVXJEFOYBJ-SECBINFHSA-N -1 3 376.684 3.128 10 0 GGAEHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCc1cccs1)c1ccc(Cl)cc1 ZINC000192991065 565723176 /nfs/dbraw/zinc/72/31/76/565723176.db2.gz DLMYJWBDIFYUJN-OAHLLOKOSA-N -1 3 387.910 3.168 10 0 GGAEHM O=S(=O)([N-]CCC[C@H]1CCCC[C@H]1O)c1cc(F)ccc1Br ZINC000331296647 565753107 /nfs/dbraw/zinc/75/31/07/565753107.db2.gz TUVLKVCIUBKPFU-BXUZGUMPSA-N -1 3 394.306 3.198 10 0 GGAEHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CCCN1C(=O)c1ccccc1 ZINC000176191359 565756058 /nfs/dbraw/zinc/75/60/58/565756058.db2.gz LVBLKQUFKGSUOE-OAHLLOKOSA-N -1 3 389.249 3.398 10 0 GGAEHM Cn1nccc1[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000281974026 565758458 /nfs/dbraw/zinc/75/84/58/565758458.db2.gz SYDAGRNSJAOIPW-HNNXBMFYSA-N -1 3 393.285 3.325 10 0 GGAEHM Cn1nccc1[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000281974029 565758545 /nfs/dbraw/zinc/75/85/45/565758545.db2.gz SYDAGRNSJAOIPW-OAHLLOKOSA-N -1 3 393.285 3.325 10 0 GGAEHM CCN1CCC[C@@H]1CN(C)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000176316534 565764577 /nfs/dbraw/zinc/76/45/77/565764577.db2.gz SGXSWJWYYZDPME-LLVKDONJSA-N -1 3 375.694 3.364 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]Cc2noc(-c3ccccc3)n2)c(Cl)cc1F ZINC000193706241 565771221 /nfs/dbraw/zinc/77/12/21/565771221.db2.gz CZLJGMJBSCTBFC-UHFFFAOYSA-N -1 3 381.816 3.316 10 0 GGAEHM Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000193863507 565779438 /nfs/dbraw/zinc/77/94/38/565779438.db2.gz TURPGFUXGNTISC-GFCCVEGCSA-N -1 3 382.423 3.075 10 0 GGAEHM CCCNC(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000176666445 565793218 /nfs/dbraw/zinc/79/32/18/565793218.db2.gz UBLYZPKCIFSSIN-JTQLQIEISA-N -1 3 377.491 3.393 10 0 GGAEHM CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)c1s[n-]c(=O)c1Cl ZINC000283244483 565814299 /nfs/dbraw/zinc/81/42/99/565814299.db2.gz CHKARRZYLNKHJX-CQSZACIVSA-N -1 3 379.913 3.486 10 0 GGAEHM COc1ccc([C@H](CN2CCCC2)NC(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC000283473457 565819775 /nfs/dbraw/zinc/81/97/75/565819775.db2.gz PLYUTKASRQGQFT-ZDUSSCGKSA-N -1 3 381.885 3.078 10 0 GGAEHM Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000177003699 565821717 /nfs/dbraw/zinc/82/17/17/565821717.db2.gz RGLTXGWFNUMSAH-NSHDSACASA-N -1 3 394.806 3.072 10 0 GGAEHM Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000177003711 565822076 /nfs/dbraw/zinc/82/20/76/565822076.db2.gz RGLTXGWFNUMSAH-LLVKDONJSA-N -1 3 394.806 3.072 10 0 GGAEHM COC(=O)c1cncc([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000194615483 565826801 /nfs/dbraw/zinc/82/68/01/565826801.db2.gz TYYZEZQNMDZFSI-UHFFFAOYSA-N -1 3 375.233 3.117 10 0 GGAEHM O=C(CCCSc1ccc(Cl)cc1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283736747 565828130 /nfs/dbraw/zinc/82/81/30/565828130.db2.gz OPMUOBXQOFJYOE-GFCCVEGCSA-N -1 3 380.901 3.030 10 0 GGAEHM C[C@@]1(c2nc(-c3nnc(-c4cccc(Br)c4)[n-]3)no2)CCCO1 ZINC000284114180 565842223 /nfs/dbraw/zinc/84/22/23/565842223.db2.gz WYAHGRDXMDVDCG-HNNXBMFYSA-N -1 3 376.214 3.310 10 0 GGAEHM C[C@@]1(c2nc(-c3nc(-c4cccc(Br)c4)n[n-]3)no2)CCCO1 ZINC000284114180 565842228 /nfs/dbraw/zinc/84/22/28/565842228.db2.gz WYAHGRDXMDVDCG-HNNXBMFYSA-N -1 3 376.214 3.310 10 0 GGAEHM C[C@@]1(c2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)no2)CCCO1 ZINC000284114180 565842232 /nfs/dbraw/zinc/84/22/32/565842232.db2.gz WYAHGRDXMDVDCG-HNNXBMFYSA-N -1 3 376.214 3.310 10 0 GGAEHM CCOC(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000195073070 565857004 /nfs/dbraw/zinc/85/70/04/565857004.db2.gz RRGMOLSWNRHEEM-VXGBXAGGSA-N -1 3 379.400 3.263 10 0 GGAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c(C)o1 ZINC000177674602 565866837 /nfs/dbraw/zinc/86/68/37/565866837.db2.gz GQURQQQITSVKOV-INIZCTEOSA-N -1 3 382.869 3.031 10 0 GGAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCO[C@@H](c4cccs4)C3)cn21 ZINC000333125585 565867130 /nfs/dbraw/zinc/86/71/30/565867130.db2.gz HFLHKLFSGPDTNP-HZSPNIEDSA-N -1 3 381.523 3.041 10 0 GGAEHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ncc(Br)cn1 ZINC000333288499 565876212 /nfs/dbraw/zinc/87/62/12/565876212.db2.gz QXSWWDHWHLJGOW-VIFPVBQESA-N -1 3 392.253 3.149 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000413935296 565881147 /nfs/dbraw/zinc/88/11/47/565881147.db2.gz GNQRZJMKFCPQSI-JKSUJKDBSA-N -1 3 376.250 3.032 10 0 GGAEHM O=c1[n-]nc(SCCOc2c(Cl)cccc2Cl)n1C[C@H]1CCCO1 ZINC000198391472 565892947 /nfs/dbraw/zinc/89/29/47/565892947.db2.gz HMWXHXQDCFXMPI-SNVBAGLBSA-N -1 3 390.292 3.228 10 0 GGAEHM NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)c1 ZINC000178133792 565899952 /nfs/dbraw/zinc/89/99/52/565899952.db2.gz DWZMMWJYWVTIGC-UHFFFAOYSA-N -1 3 389.658 3.002 10 0 GGAEHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000285381733 565904758 /nfs/dbraw/zinc/90/47/58/565904758.db2.gz XWFNGVXHEXOBIP-JTQLQIEISA-N -1 3 383.267 3.277 10 0 GGAEHM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000178267566 565908840 /nfs/dbraw/zinc/90/88/40/565908840.db2.gz XDZMMPUHOLXBQV-LBPRGKRZSA-N -1 3 399.285 3.028 10 0 GGAEHM Cc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2[N-]S(C)(=O)=O)c(C)s1 ZINC000178534950 565924241 /nfs/dbraw/zinc/92/42/41/565924241.db2.gz AZUWPLWNZZQUFZ-UHFFFAOYSA-N -1 3 393.412 3.403 10 0 GGAEHM COc1cc(Cl)c(S(=O)(=O)[N-]CCc2ccccc2O)cc1Cl ZINC000178621452 565929090 /nfs/dbraw/zinc/92/90/90/565929090.db2.gz VTPMPEJZFDNRFJ-UHFFFAOYSA-N -1 3 376.261 3.229 10 0 GGAEHM O=S(=O)([N-]CCCc1ccccn1)c1ccc(Br)c(Cl)c1 ZINC000178749987 565935112 /nfs/dbraw/zinc/93/51/12/565935112.db2.gz XHWKMVOXOQCUGU-UHFFFAOYSA-N -1 3 389.702 3.409 10 0 GGAEHM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)Cn1ccnc1 ZINC000414460927 565938147 /nfs/dbraw/zinc/93/81/47/565938147.db2.gz RGHQSHHGXWBPNT-SNVBAGLBSA-N -1 3 381.807 3.170 10 0 GGAEHM Cc1cnn(CCNCc2cc(Br)c([O-])c(Br)c2)c1 ZINC000235947892 565938534 /nfs/dbraw/zinc/93/85/34/565938534.db2.gz ZZTJJJPPXBANHO-UHFFFAOYSA-N -1 3 389.091 3.212 10 0 GGAEHM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1Br ZINC000414467788 565939161 /nfs/dbraw/zinc/93/91/61/565939161.db2.gz DTHXRDOIYTWLOW-UHFFFAOYSA-N -1 3 388.287 3.377 10 0 GGAEHM COc1cc(-c2noc([C@H]3CCn4cncc4C3)n2)cc(Br)c1[O-] ZINC000350757307 565940178 /nfs/dbraw/zinc/94/01/78/565940178.db2.gz BCGGOPUWOUEWSX-VIFPVBQESA-N -1 3 391.225 3.140 10 0 GGAEHM COC[C@H]([N-]S(=O)(=O)c1cccc(C)c1Br)c1ccccc1 ZINC000178877260 565944005 /nfs/dbraw/zinc/94/40/05/565944005.db2.gz DNXWFVOXGSQDIN-AWEZNQCLSA-N -1 3 384.295 3.424 10 0 GGAEHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000178949692 565948408 /nfs/dbraw/zinc/94/84/08/565948408.db2.gz KDFQBFXUVVCKLW-WMZOPIPTSA-N -1 3 380.897 3.072 10 0 GGAEHM CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000179228147 565966818 /nfs/dbraw/zinc/96/68/18/565966818.db2.gz DYGBNCUGUARPOW-CYBMUJFWSA-N -1 3 378.270 3.391 10 0 GGAEHM CN1CC[C@@H](NC(=O)c2ccc(Br)c([O-])c2)[C@@H]1c1ccccc1 ZINC000179338750 565973626 /nfs/dbraw/zinc/97/36/26/565973626.db2.gz KDYYLYQZTSXTMI-WBVHZDCISA-N -1 3 375.266 3.330 10 0 GGAEHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)C2CCCC2)s1 ZINC000179362811 565976395 /nfs/dbraw/zinc/97/63/95/565976395.db2.gz FFYOLMJJOBIPMT-CQSZACIVSA-N -1 3 386.583 3.310 10 0 GGAEHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000179656171 565997678 /nfs/dbraw/zinc/99/76/78/565997678.db2.gz LPNVNXOVABTRSH-ZDUSSCGKSA-N -1 3 399.310 3.185 10 0 GGAEHM COc1cc(C=CC(=O)N2CCC[C@H]2c2cc[nH]n2)cc(Br)c1[O-] ZINC000287149241 566001027 /nfs/dbraw/zinc/00/10/27/566001027.db2.gz RCFGTBHSSLFKDQ-NNTXTVRGSA-N -1 3 392.253 3.263 10 0 GGAEHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2F)[C@H]1c1cccs1 ZINC000246051107 566014227 /nfs/dbraw/zinc/01/42/27/566014227.db2.gz CGLGDUZXMGOFNH-SJCJKPOMSA-N -1 3 386.489 3.388 10 0 GGAEHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)[C@H]1c1cccs1 ZINC000246105273 566017747 /nfs/dbraw/zinc/01/77/47/566017747.db2.gz HTNOZOYCNAGHBA-SJCJKPOMSA-N -1 3 386.489 3.388 10 0 GGAEHM O=S(=O)([N-][C@H]1CCOc2c(F)cccc21)c1cccnc1C(F)(F)F ZINC000287590999 566027625 /nfs/dbraw/zinc/02/76/25/566027625.db2.gz YSVVOQKEPAMDEA-NSHDSACASA-N -1 3 376.331 3.042 10 0 GGAEHM [O-]C(=NOCCC(F)(F)F)Nc1ccc2nccnc2c1Br ZINC000287870186 566045407 /nfs/dbraw/zinc/04/54/07/566045407.db2.gz YMLZQIWFTDAHMW-UHFFFAOYSA-N -1 3 379.136 3.398 10 0 GGAEHM O=C([N-]OCCC(F)(F)F)Nc1ccc2nccnc2c1Br ZINC000287870186 566045414 /nfs/dbraw/zinc/04/54/14/566045414.db2.gz YMLZQIWFTDAHMW-UHFFFAOYSA-N -1 3 379.136 3.398 10 0 GGAEHM CC[C@@](C)([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1nc(C)cs1 ZINC000288237060 566064122 /nfs/dbraw/zinc/06/41/22/566064122.db2.gz SGIUXRHMHUGYFS-CYBMUJFWSA-N -1 3 379.429 3.469 10 0 GGAEHM CC(C)n1ncnc1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000416481776 566073831 /nfs/dbraw/zinc/07/38/31/566073831.db2.gz CMCQORROSUYQID-UHFFFAOYSA-N -1 3 383.688 3.298 10 0 GGAEHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000416491127 566075761 /nfs/dbraw/zinc/07/57/61/566075761.db2.gz XHBGPZJZTDNNFG-KBPBESRZSA-N -1 3 379.865 3.209 10 0 GGAEHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1c(C)cccc1Cl)c1ccncc1 ZINC000416494691 566076225 /nfs/dbraw/zinc/07/62/25/566076225.db2.gz JJNLDNNMDYKZCM-HNNXBMFYSA-N -1 3 382.869 3.016 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCC1CC(F)(F)C1 ZINC000416500189 566076749 /nfs/dbraw/zinc/07/67/49/566076749.db2.gz FXXUOGXOIAAVJE-UHFFFAOYSA-N -1 3 384.242 3.171 10 0 GGAEHM Cc1cc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cc1Cl ZINC000180650401 566079694 /nfs/dbraw/zinc/07/96/94/566079694.db2.gz HXNFTEYIIVYUGO-UHFFFAOYSA-N -1 3 390.292 3.143 10 0 GGAEHM O=S(=O)(Cc1ccc(Cl)cc1Br)[N-]Cc1cscn1 ZINC000180661614 566080157 /nfs/dbraw/zinc/08/01/57/566080157.db2.gz XULHOLZXKCYLJD-UHFFFAOYSA-N -1 3 381.704 3.179 10 0 GGAEHM [O-]c1ccc(Br)c(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000180725834 566084604 /nfs/dbraw/zinc/08/46/04/566084604.db2.gz QLYNNCBXRWUHPQ-CJNGLKHVSA-N -1 3 382.254 3.072 10 0 GGAEHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C1CCC(C(F)F)CC1 ZINC000416559839 566087124 /nfs/dbraw/zinc/08/71/24/566087124.db2.gz KNWHTVISGMWLBH-UHFFFAOYSA-N -1 3 381.828 3.229 10 0 GGAEHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1CCC(C(F)F)CC1 ZINC000416560763 566087254 /nfs/dbraw/zinc/08/72/54/566087254.db2.gz MFBASPXBSRZQII-UHFFFAOYSA-N -1 3 381.828 3.229 10 0 GGAEHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Br)cc3cccnc32)[C@H](C)O1 ZINC000416593839 566092747 /nfs/dbraw/zinc/09/27/47/566092747.db2.gz DDFMVZSIJGABGF-MDZLAQPJSA-N -1 3 399.310 3.089 10 0 GGAEHM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(Br)c2Cl)[C@@H](C)O1 ZINC000416600012 566093521 /nfs/dbraw/zinc/09/35/21/566093521.db2.gz IFTFEYAFFGAZSL-BBBLOLIVSA-N -1 3 382.707 3.194 10 0 GGAEHM COC1([C@H](C)[N-]S(=O)(=O)c2cc(Br)cc3cccnc32)CCC1 ZINC000416621792 566097213 /nfs/dbraw/zinc/09/72/13/566097213.db2.gz UNXZJFBKXYONIQ-NSHDSACASA-N 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/nfs/dbraw/zinc/06/16/18/567061618.db2.gz WIWBFZGJVFGIMJ-GFCCVEGCSA-N -1 3 393.272 3.325 10 0 GGAEHM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1Cl ZINC000431177156 567062232 /nfs/dbraw/zinc/06/22/32/567062232.db2.gz FLNVRJWSOMMKHQ-UHFFFAOYSA-N -1 3 376.821 3.476 10 0 GGAEHM CC(C)Sc1ccc(Cl)cc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000473051206 567062374 /nfs/dbraw/zinc/06/23/74/567062374.db2.gz OENGACTWCMSXPB-UHFFFAOYSA-N -1 3 379.869 3.196 10 0 GGAEHM O=C(N[C@H]1CCOc2c(Br)cccc21)c1c[n-]nc1-c1ccccn1 ZINC000565394587 567064266 /nfs/dbraw/zinc/06/42/66/567064266.db2.gz KDWIEDVSNSKILT-AWEZNQCLSA-N -1 3 399.248 3.488 10 0 GGAEHM O=S(=O)([N-]C[C@H]1CCSC1)c1cc(Br)cc2cccnc21 ZINC000584736636 567064762 /nfs/dbraw/zinc/06/47/62/567064762.db2.gz DLZOGDWTXUVOER-SNVBAGLBSA-N -1 3 387.324 3.029 10 0 GGAEHM CN1C(=O)C[C@@H](NC(=O)c2cc([O-])ccc2Cl)[C@H]1c1ccc(Cl)cc1 ZINC000495863493 567068189 /nfs/dbraw/zinc/06/81/89/567068189.db2.gz PNSHOMSSHXVLOS-NVXWUHKLSA-N -1 3 379.243 3.401 10 0 GGAEHM CCCCSc1ccc(Cl)cc1-c1noc(CN2CC(=O)[N-]C2=O)n1 ZINC000545762647 567074096 /nfs/dbraw/zinc/07/40/96/567074096.db2.gz MKNMSLCEQQLTSH-UHFFFAOYSA-N -1 3 380.857 3.334 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cn2)c(Cl)c1 ZINC000585708143 567080510 /nfs/dbraw/zinc/08/05/10/567080510.db2.gz GPMDHZFUOODWAX-VIFPVBQESA-N -1 3 389.260 3.215 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000614065930 567081027 /nfs/dbraw/zinc/08/10/27/567081027.db2.gz CQIDJBUAZHNAJF-UHFFFAOYSA-N -1 3 380.647 3.183 10 0 GGAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000496967922 567083203 /nfs/dbraw/zinc/08/32/03/567083203.db2.gz OENNXBMZWNVUJW-CQSZACIVSA-N -1 3 398.937 3.086 10 0 GGAEHM O=S(=O)([N-][C@@H]1[C@@H]2CCC[C@@H]21)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000565649247 567085942 /nfs/dbraw/zinc/08/59/42/567085942.db2.gz HGSFEIFZPNRTLG-AFIMGQEJSA-N -1 3 385.913 3.365 10 0 GGAEHM CO[C@H](CS(=O)(=O)[N-]c1cccc(NC(=O)c2cccs2)c1)C1CC1 ZINC000565656353 567088644 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O=C(CCCCOc1ccc(Br)cc1)NCc1ncccc1[O-] ZINC000473644994 567095473 /nfs/dbraw/zinc/09/54/73/567095473.db2.gz UFWSJLZOPITXDJ-UHFFFAOYSA-N -1 3 379.254 3.415 10 0 GGAEHM C[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ncc(Br)cn1 ZINC000431621033 567096005 /nfs/dbraw/zinc/09/60/05/567096005.db2.gz BEPWUHLGLFHSGJ-ZETCQYMHSA-N -1 3 394.653 3.071 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ncc(Br)cn1 ZINC000431621032 567096394 /nfs/dbraw/zinc/09/63/94/567096394.db2.gz BEPWUHLGLFHSGJ-SSDOTTSWSA-N -1 3 394.653 3.071 10 0 GGAEHM C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ncc(Br)cn1 ZINC000431626857 567097306 /nfs/dbraw/zinc/09/73/06/567097306.db2.gz CFHORRBNCXPVIE-ZETCQYMHSA-N -1 3 394.653 3.071 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ncc(Br)cn2)sc1Cl ZINC000431628915 567097443 /nfs/dbraw/zinc/09/74/43/567097443.db2.gz UNHCVRIOYNIZGL-SSDOTTSWSA-N -1 3 396.719 3.302 10 0 GGAEHM Cc1oc(C2CC2)nc1C(=O)Nc1cc(I)ccc1[O-] ZINC000586802009 567097649 /nfs/dbraw/zinc/09/76/49/567097649.db2.gz 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COC(=O)c1c(C)csc1[N-]C(=O)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000497704658 567119297 /nfs/dbraw/zinc/11/92/97/567119297.db2.gz QLVCGJNOQBMJAL-UHFFFAOYSA-N -1 3 380.853 3.094 10 0 GGAEHM CCOC(=O)[C@@H](CCOC(C)(C)C)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473947398 567119336 /nfs/dbraw/zinc/11/93/36/567119336.db2.gz SADARCPDQAQOCA-LLVKDONJSA-N -1 3 397.946 3.125 10 0 GGAEHM CCOc1ccc(CNC(=O)Cc2ccc(Br)cc2[O-])cc1OC ZINC000432003055 567123119 /nfs/dbraw/zinc/12/31/19/567123119.db2.gz YTMMVUUQEQFRSS-UHFFFAOYSA-N -1 3 394.265 3.421 10 0 GGAEHM Cc1nnc([N-]C(=O)c2c(F)c(F)c(Br)c(F)c2F)n1C1CC1 ZINC000614607218 567126272 /nfs/dbraw/zinc/12/62/72/567126272.db2.gz MDVRUCQFCALPJF-UHFFFAOYSA-N -1 3 393.138 3.493 10 0 GGAEHM Cc1noc(C)c1[C@@H](C)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000683482514 567127667 /nfs/dbraw/zinc/12/76/67/567127667.db2.gz JXJWGPSDCFFMBF-MRVPVSSYSA-N -1 3 390.237 3.386 10 0 GGAEHM Cc1noc(C)c1[C@H](C)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000683482515 567127746 /nfs/dbraw/zinc/12/77/46/567127746.db2.gz JXJWGPSDCFFMBF-QMMMGPOBSA-N -1 3 390.237 3.386 10 0 GGAEHM CN(C)C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000614632825 567128072 /nfs/dbraw/zinc/12/80/72/567128072.db2.gz FOYRSVFPSPPRBI-AWEZNQCLSA-N -1 3 387.332 3.445 10 0 GGAEHM CC1(C)CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C(C)(C)CO1 ZINC000683483177 567128187 /nfs/dbraw/zinc/12/81/87/567128187.db2.gz VWSDVBMOOQGTKA-UHFFFAOYSA-N -1 3 393.281 3.320 10 0 GGAEHM CC1(C)CN(C(=O)c2cnc3ccc(Br)cc3c2[O-])C(C)(C)CO1 ZINC000683483177 567128195 /nfs/dbraw/zinc/12/81/95/567128195.db2.gz VWSDVBMOOQGTKA-UHFFFAOYSA-N -1 3 393.281 3.320 10 0 GGAEHM CSc1nnc(NC(=O)Cn2c(C)c(Br)c3ccccc32)[n-]1 ZINC000522721847 567128538 /nfs/dbraw/zinc/12/85/38/567128538.db2.gz DPBUNNNCVJSEKS-UHFFFAOYSA-N -1 3 380.271 3.191 10 0 GGAEHM CSc1n[n-]c(NC(=O)Cn2c(C)c(Br)c3ccccc32)n1 ZINC000522721847 567128540 /nfs/dbraw/zinc/12/85/40/567128540.db2.gz DPBUNNNCVJSEKS-UHFFFAOYSA-N -1 3 380.271 3.191 10 0 GGAEHM CSc1nc(NC(=O)Cn2c(C)c(Br)c3ccccc32)n[n-]1 ZINC000522721847 567128547 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379.379 3.083 10 0 GGAEHM COCc1ccccc1S(=O)(=O)[N-][C@@H](c1cc(F)ccc1F)C(F)F ZINC000432963905 567209342 /nfs/dbraw/zinc/20/93/42/567209342.db2.gz ATFSWUNCOKGVJG-HNNXBMFYSA-N -1 3 377.359 3.396 10 0 GGAEHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)cs1 ZINC000432959922 567209365 /nfs/dbraw/zinc/20/93/65/567209365.db2.gz JIUMZDKYFBMQTD-GFCCVEGCSA-N -1 3 397.371 3.098 10 0 GGAEHM COc1cc(=NC(=O)N[C@H](c2ccc(Br)cc2)C2CCC2)[n-]n1C ZINC000547515097 567215002 /nfs/dbraw/zinc/21/50/02/567215002.db2.gz GJKBSTIXYNUZDJ-INIZCTEOSA-N -1 3 393.285 3.276 10 0 GGAEHM COc1cc(=NC(=O)N2CC=C(c3ccc(Cl)c(Cl)c3)CC2)[n-]n1C ZINC000547514710 567215615 /nfs/dbraw/zinc/21/56/15/567215615.db2.gz BCLADMNODWXAMY-UHFFFAOYSA-N -1 3 381.263 3.479 10 0 GGAEHM Cc1cc(NC(=O)Cc2ccc(Br)cc2[O-])ccc1OCCO ZINC000498995294 567218114 /nfs/dbraw/zinc/21/81/14/567218114.db2.gz BYZXVDHNFYIMKI-UHFFFAOYSA-N -1 3 380.238 3.015 10 0 GGAEHM CO[C@@H]1CCCC[C@H]1C(=O)Nc1cc(I)ccc1[O-] ZINC000590316374 567219740 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567225800 /nfs/dbraw/zinc/22/58/00/567225800.db2.gz BCJZCMNDWIHYIQ-MRXNPFEDSA-N -1 3 378.270 3.188 10 0 GGAEHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n1 ZINC000684659667 567226880 /nfs/dbraw/zinc/22/68/80/567226880.db2.gz LPUUOHZKMPDWEX-UHFFFAOYSA-N -1 3 375.277 3.308 10 0 GGAEHM CCOC(=O)[C@@H](CCOC(C)(C)C)NCc1cc([O-])ccc1Br ZINC000475136000 567227793 /nfs/dbraw/zinc/22/77/93/567227793.db2.gz GWYYGBWFSVRGTH-OAHLLOKOSA-N -1 3 388.302 3.381 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCCCC[C@H]1c1ncon1 ZINC000499188376 567229263 /nfs/dbraw/zinc/22/92/63/567229263.db2.gz HPAQMAUPCVWAOF-ZDUSSCGKSA-N -1 3 380.242 3.224 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])Nc1ncn(C2CCCCC2)n1 ZINC000499205247 567230518 /nfs/dbraw/zinc/23/05/18/567230518.db2.gz BVAJQGWLSGAJMP-UHFFFAOYSA-N -1 3 379.258 3.433 10 0 GGAEHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)CCO1 ZINC000567297278 567235202 /nfs/dbraw/zinc/23/52/02/567235202.db2.gz TYCCHSMHBZQTHW-SECBINFHSA-N -1 3 382.707 3.338 10 0 GGAEHM CC[C@@H](NC(=O)Cc1ccc(Br)cc1[O-])c1c(C)nn(C)c1C ZINC000547749626 567242979 /nfs/dbraw/zinc/24/29/79/567242979.db2.gz WRFJUXXKQGJAMF-CQSZACIVSA-N -1 3 380.286 3.315 10 0 GGAEHM C[C@@H](CNC(=O)Cc1ccc(Br)cc1[O-])N1CCc2ccccc21 ZINC000547745163 567243056 /nfs/dbraw/zinc/24/30/56/567243056.db2.gz CEBMMKCBPVYGAV-ZDUSSCGKSA-N -1 3 389.293 3.265 10 0 GGAEHM COc1ccc(CCNC(=O)Cc2ccc(Br)cc2[O-])cc1F ZINC000547745840 567243681 /nfs/dbraw/zinc/24/36/81/567243681.db2.gz TXRSPOCTFVVOCD-UHFFFAOYSA-N -1 3 382.229 3.204 10 0 GGAEHM CC[C@H](NC(=O)Cc1ccc(Br)cc1[O-])c1c(C)nn(C)c1C ZINC000547749625 567243768 /nfs/dbraw/zinc/24/37/68/567243768.db2.gz WRFJUXXKQGJAMF-AWEZNQCLSA-N -1 3 380.286 3.315 10 0 GGAEHM Cc1cccc2nc(C[N-]S(=O)(=O)c3cc(C)c(F)cc3Cl)n(C)c21 ZINC000475405231 567245482 /nfs/dbraw/zinc/24/54/82/567245482.db2.gz SYKTWZVYZLEOMR-UHFFFAOYSA-N -1 3 381.860 3.461 10 0 GGAEHM CC(C)(C[N-]S(=O)(=O)c1cccc(Br)c1F)[C@H]1CCCCO1 ZINC000684913506 567245588 /nfs/dbraw/zinc/24/55/88/567245588.db2.gz 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CC(=O)Nc1cc(NC(=O)Cc2ccc(Br)cc2[O-])ccc1F ZINC000477185588 567378892 /nfs/dbraw/zinc/37/88/92/567378892.db2.gz BOAYCWXYXWIJAO-UHFFFAOYSA-N -1 3 381.201 3.433 10 0 GGAEHM CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)C1 ZINC000435628063 567380058 /nfs/dbraw/zinc/38/00/58/567380058.db2.gz PGACDMUIIYZKNX-ZJUUUORDSA-N -1 3 396.292 3.012 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])Nc1ccc(N2CCCC2)nc1 ZINC000477202369 567380097 /nfs/dbraw/zinc/38/00/97/567380097.db2.gz MHYQOTKTSZQBHH-UHFFFAOYSA-N -1 3 376.254 3.331 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCc1ccnc(N2CCCC2)c1 ZINC000477211604 567380178 /nfs/dbraw/zinc/38/01/78/567380178.db2.gz UUYJWUIGBLYEBN-UHFFFAOYSA-N -1 3 390.281 3.009 10 0 GGAEHM CCOC(=O)C[C@](C)(NC(=O)Cc1ccc(Br)cc1[O-])C(C)C ZINC000501319340 567380442 /nfs/dbraw/zinc/38/04/42/567380442.db2.gz MKLRKPUOBPAINK-KRWDZBQOSA-N -1 3 386.286 3.181 10 0 GGAEHM COC(=O)C1(NC(=O)Cc2ccc(Br)cc2[O-])CCCCCC1 ZINC000477209225 567380793 /nfs/dbraw/zinc/38/07/93/567380793.db2.gz 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ZINC000528458057 567424872 /nfs/dbraw/zinc/42/48/72/567424872.db2.gz RJKQEGOQXYJDNU-LLVKDONJSA-N -1 3 388.198 3.272 10 0 GGAEHM O=S(=O)([N-]C[C@@H]1CCN1C1CCCCC1)c1sccc1Br ZINC000528474913 567427293 /nfs/dbraw/zinc/42/72/93/567427293.db2.gz KCWVLXYZDYDZSL-LBPRGKRZSA-N -1 3 393.372 3.196 10 0 GGAEHM COc1cccc(C(=O)N[C@@H]2CCOc3c(Br)cccc32)c1[O-] ZINC000436498237 567428637 /nfs/dbraw/zinc/42/86/37/567428637.db2.gz VTPILHWEJGEETA-CYBMUJFWSA-N -1 3 378.222 3.417 10 0 GGAEHM COc1ccc(C(=O)N[C@@H]2CCOc3c(Br)cccc32)c([O-])c1 ZINC000436495007 567428784 /nfs/dbraw/zinc/42/87/84/567428784.db2.gz NBZLSKQUKYYMFH-CQSZACIVSA-N -1 3 378.222 3.417 10 0 GGAEHM COc1ccc(C(=O)N[C@H]2CCOc3c(Br)cccc32)c([O-])c1 ZINC000436495004 567428798 /nfs/dbraw/zinc/42/87/98/567428798.db2.gz NBZLSKQUKYYMFH-AWEZNQCLSA-N -1 3 378.222 3.417 10 0 GGAEHM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000528494834 567430574 /nfs/dbraw/zinc/43/05/74/567430574.db2.gz KPBZJFZURKXKDO-YGRLFVJLSA-N -1 3 394.718 3.089 10 0 GGAEHM CS[C@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@@H]1N1CCCC1 ZINC000436530772 567431006 /nfs/dbraw/zinc/43/10/06/567431006.db2.gz FXQWKPKLHNEPQM-JSGCOSHPSA-N -1 3 375.321 3.351 10 0 GGAEHM CN1CC[C@@H](NC(=O)c2ccc(Br)cc2[O-])[C@@H]1c1ccccc1 ZINC000436524736 567431618 /nfs/dbraw/zinc/43/16/18/567431618.db2.gz KJKBJQGNVUORHO-WBVHZDCISA-N -1 3 375.266 3.330 10 0 GGAEHM CN1CC[C@H](NC(=O)c2cc(Br)ccc2[O-])[C@H]1c1ccccc1 ZINC000436524311 567431639 /nfs/dbraw/zinc/43/16/39/567431639.db2.gz GOMWKQRISGKBCR-DOTOQJQBSA-N -1 3 375.266 3.330 10 0 GGAEHM O=S(=O)([N-]C[C@@H]1CCN1C1CCCC1)c1cc(Cl)ccc1OC(F)F ZINC000528546997 567435216 /nfs/dbraw/zinc/43/52/16/567435216.db2.gz GGEASGORCUKRLZ-ZDUSSCGKSA-N -1 3 394.871 3.237 10 0 GGAEHM Cc1cccc([C@H]([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)C(C)C)c1 ZINC000528548817 567435284 /nfs/dbraw/zinc/43/52/84/567435284.db2.gz RBJFCQIXCDVLTK-GOSISDBHSA-N -1 3 381.519 3.074 10 0 GGAEHM O=C(Nc1cc(I)ccc1[O-])c1c[nH]nc1-c1ccoc1 ZINC000619123097 567435372 /nfs/dbraw/zinc/43/53/72/567435372.db2.gz OXJLQCIHMWCMRZ-UHFFFAOYSA-N -1 3 395.156 3.232 10 0 GGAEHM O=C1CCc2cc(Cl)c(S(=O)(=O)[N-][C@@H]3C[C@H]3c3ccsc3)cc2N1 ZINC000528548732 567435572 /nfs/dbraw/zinc/43/55/72/567435572.db2.gz PSWVZNVXTLTLOM-SMDDNHRTSA-N -1 3 382.894 3.121 10 0 GGAEHM CN(C)C[C@@H]([N-]S(=O)(=O)c1cscn1)c1ccc(Cl)c(Cl)c1 ZINC000528546449 567435597 /nfs/dbraw/zinc/43/55/97/567435597.db2.gz LAPHQNUWSXIETI-GFCCVEGCSA-N -1 3 380.322 3.031 10 0 GGAEHM O=S(=O)([N-]C[C@H]1CCN1C1CCCC1)c1cc(Cl)ccc1OC(F)F ZINC000528546995 567436064 /nfs/dbraw/zinc/43/60/64/567436064.db2.gz GGEASGORCUKRLZ-CYBMUJFWSA-N -1 3 394.871 3.237 10 0 GGAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000528543615 567436106 /nfs/dbraw/zinc/43/61/06/567436106.db2.gz BVCIBKMORXJBQC-UOKLYIGXSA-N -1 3 382.707 3.193 10 0 GGAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000528555469 567437391 /nfs/dbraw/zinc/43/73/91/567437391.db2.gz QNUDDNVYPRPXCQ-NMSKTSORSA-N -1 3 382.707 3.193 10 0 GGAEHM CCn1c(CNC(=O)c2ccc(O)cc2[O-])nc2cc(Br)ccc21 ZINC000436612370 567438260 /nfs/dbraw/zinc/43/82/60/567438260.db2.gz XOGHDYPBORYNBM-UHFFFAOYSA-N -1 3 390.237 3.160 10 0 GGAEHM O=S(=O)([N-][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1cnccc1C(F)(F)F ZINC000528559135 567439120 /nfs/dbraw/zinc/43/91/20/567439120.db2.gz VLEUNKMLJAORJF-WKPIXPDZSA-N -1 3 388.798 3.370 10 0 GGAEHM COc1ccc(S(=O)(=O)[N-]Cc2ccccc2OC(F)(F)F)c(F)c1 ZINC000478177194 567441217 /nfs/dbraw/zinc/44/12/17/567441217.db2.gz NRCLSWHVZJTRAM-UHFFFAOYSA-N -1 3 379.331 3.211 10 0 GGAEHM CCn1c(CNC(=O)c2c([O-])cccc2O)nc2cc(Br)ccc21 ZINC000436684902 567441987 /nfs/dbraw/zinc/44/19/87/567441987.db2.gz IVAOWNGNZJGPHU-UHFFFAOYSA-N -1 3 390.237 3.160 10 0 GGAEHM COc1cc(=NC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)[n-]n1C ZINC000569896404 567442093 /nfs/dbraw/zinc/44/20/93/567442093.db2.gz CCWIYBCDKAGCSJ-LBPRGKRZSA-N -1 3 380.729 3.068 10 0 GGAEHM O=C(c1ccccc1[O-])N1CCN(Cc2cccc(Br)c2)CC1 ZINC000436696625 567444411 /nfs/dbraw/zinc/44/44/11/567444411.db2.gz JONGPCTYKQLOIJ-UHFFFAOYSA-N -1 3 375.266 3.113 10 0 GGAEHM O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H]1C[C@H]1c1ccsc1 ZINC000528642420 567445010 /nfs/dbraw/zinc/44/50/10/567445010.db2.gz OSWIRHQMSDJLJF-UONOGXRCSA-N -1 3 380.466 3.070 10 0 GGAEHM CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)Cc1ccc(Br)cc1[O-] ZINC000593885765 567445363 /nfs/dbraw/zinc/44/53/63/567445363.db2.gz GYBOUVGGFCFLSI-ZDUSSCGKSA-N -1 3 386.286 3.276 10 0 GGAEHM CCCNC(=O)C1(NC(=O)Cc2ccc(Br)cc2[O-])CCCCC1 ZINC000550459603 567448730 /nfs/dbraw/zinc/44/87/30/567448730.db2.gz VUMIGNDJLKKIFP-UHFFFAOYSA-N -1 3 397.313 3.043 10 0 GGAEHM Cc1cccc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c1[O-] ZINC000436775418 567451200 /nfs/dbraw/zinc/45/12/00/567451200.db2.gz XDUXZRICEIWPFF-CQSZACIVSA-N -1 3 375.266 3.472 10 0 GGAEHM COc1cc([C@@H]2NC3(CC3)C(=O)N2c2ccccc2)cc(Br)c1[O-] ZINC000570025819 567452481 /nfs/dbraw/zinc/45/24/81/567452481.db2.gz OQMINIHYDLIOIK-MRXNPFEDSA-N -1 3 389.249 3.331 10 0 GGAEHM COc1cc([C@H]2NC3(CC3)C(=O)N2c2ccccc2)cc(Br)c1[O-] ZINC000570025818 567452493 /nfs/dbraw/zinc/45/24/93/567452493.db2.gz OQMINIHYDLIOIK-INIZCTEOSA-N -1 3 389.249 3.331 10 0 GGAEHM CCOC(=O)c1ncc(NC(=O)c2cc(F)c(Br)cc2Cl)[n-]1 ZINC000619447568 567452906 /nfs/dbraw/zinc/45/29/06/567452906.db2.gz GFBYDKYQYPFLBS-UHFFFAOYSA-N -1 3 390.596 3.394 10 0 GGAEHM CCOC(=O)c1nc(NC(=O)c2cc(F)c(Br)cc2Cl)c[n-]1 ZINC000619447568 567452911 /nfs/dbraw/zinc/45/29/11/567452911.db2.gz GFBYDKYQYPFLBS-UHFFFAOYSA-N -1 3 390.596 3.394 10 0 GGAEHM O=C(CCC(F)F)N=c1cc(-c2ccc(I)cc2)[n-][nH]1 ZINC000619435580 567453022 /nfs/dbraw/zinc/45/30/22/567453022.db2.gz SWGLKLUANCRGJY-UHFFFAOYSA-N -1 3 391.159 3.087 10 0 GGAEHM C[C@@H]1CCC[C@@H](C)N1CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000594031262 567453639 /nfs/dbraw/zinc/45/36/39/567453639.db2.gz WHAQVKGVNXTILZ-GHMZBOCLSA-N -1 3 381.361 3.052 10 0 GGAEHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000594031268 567454126 /nfs/dbraw/zinc/45/41/26/567454126.db2.gz WHAQVKGVNXTILZ-PHIMTYICSA-N -1 3 381.361 3.052 10 0 GGAEHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000594030837 567454183 /nfs/dbraw/zinc/45/41/83/567454183.db2.gz SKLDBJDKARFHCU-TXEJJXNPSA-N -1 3 393.322 3.129 10 0 GGAEHM CCOC(=O)c1ncc(NC(=O)C2(c3ccccc3Br)CC2)[n-]1 ZINC000619448383 567454563 /nfs/dbraw/zinc/45/45/63/567454563.db2.gz PKGHLQHBSAVUBR-UHFFFAOYSA-N -1 3 378.226 3.019 10 0 GGAEHM CCOC(=O)c1nc(NC(=O)C2(c3ccccc3Br)CC2)c[n-]1 ZINC000619448383 567454569 /nfs/dbraw/zinc/45/45/69/567454569.db2.gz PKGHLQHBSAVUBR-UHFFFAOYSA-N -1 3 378.226 3.019 10 0 GGAEHM Cc1ccc(C(=O)N(CCO)Cc2cc(Br)cs2)c([O-])c1C ZINC000436806652 567454915 /nfs/dbraw/zinc/45/49/15/567454915.db2.gz IMONSOHLPNPINF-UHFFFAOYSA-N -1 3 384.295 3.468 10 0 GGAEHM CCOc1cc(/C=C/c2ncncc2C(=O)OC)cc(Br)c1[O-] ZINC000436814138 567454949 /nfs/dbraw/zinc/45/49/49/567454949.db2.gz GZAYJTQBBQQYMQ-SNAWJCMRSA-N -1 3 379.210 3.300 10 0 GGAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc2ccsc21 ZINC000502905342 567460361 /nfs/dbraw/zinc/46/03/61/567460361.db2.gz VDTDZFXLWLXIRX-NSHDSACASA-N -1 3 378.450 3.346 10 0 GGAEHM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]C(C)(C)C(F)F)cc2c1C ZINC000619503132 567460534 /nfs/dbraw/zinc/46/05/34/567460534.db2.gz WFIMHHBYKVVANF-UHFFFAOYSA-N -1 3 375.393 3.240 10 0 GGAEHM COc1cccc([C@H]2CN(C(=O)c3cc([O-])cc(Br)c3)CCO2)c1 ZINC000528842596 567462711 /nfs/dbraw/zinc/46/27/11/567462711.db2.gz DQXYUPFZAWOWAM-QGZVFWFLSA-N -1 3 392.249 3.377 10 0 GGAEHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CC2)s1 ZINC000550828693 567464248 /nfs/dbraw/zinc/46/42/48/567464248.db2.gz IQAPPJQOPCAACW-AWEZNQCLSA-N -1 3 385.898 3.185 10 0 GGAEHM CCOc1cc(CN2CCO[C@@]3(CCSC3)C2)cc(Br)c1[O-] ZINC000570214256 567467313 /nfs/dbraw/zinc/46/73/13/567467313.db2.gz IPXHSJCJBDRPCB-INIZCTEOSA-N -1 3 388.327 3.261 10 0 GGAEHM COc1ccc([O-])c(-c2nc(Cc3cc(Br)cnc3OC)no2)c1 ZINC000436939472 567469018 /nfs/dbraw/zinc/46/90/18/567469018.db2.gz OKXLFYLKEROYMR-UHFFFAOYSA-N -1 3 392.209 3.208 10 0 GGAEHM COC[C@](C)([N-]S(=O)(=O)c1ccc(C)c(Br)c1)C(F)(F)F ZINC000479142980 567507475 /nfs/dbraw/zinc/50/74/75/567507475.db2.gz RXHQPPJFUKCVAC-NSHDSACASA-N -1 3 390.221 3.003 10 0 GGAEHM O=C(N[C@H]1CCOc2ccc(Br)cc21)c1cc(F)cc2nn[n-]c21 ZINC000503154993 567470819 /nfs/dbraw/zinc/47/08/19/567470819.db2.gz WQCNAOCWNUBBOX-LBPRGKRZSA-N -1 3 391.200 3.113 10 0 GGAEHM O=C(N[C@H]1CCOc2ccc(Br)cc21)c1cc(F)cc2[n-]nnc21 ZINC000503154993 567470822 /nfs/dbraw/zinc/47/08/22/567470822.db2.gz WQCNAOCWNUBBOX-LBPRGKRZSA-N -1 3 391.200 3.113 10 0 GGAEHM O=C(N[C@H]1CCOc2ccc(Br)cc21)c1cc(F)cc2n[n-]nc21 ZINC000503154993 567470824 /nfs/dbraw/zinc/47/08/24/567470824.db2.gz WQCNAOCWNUBBOX-LBPRGKRZSA-N -1 3 391.200 3.113 10 0 GGAEHM O=C(Cc1c(F)ccc(Br)c1F)Nc1nnc(C(F)(F)F)[n-]1 ZINC000503180769 567472692 /nfs/dbraw/zinc/47/26/92/567472692.db2.gz QZFKEKBVIWZFOY-UHFFFAOYSA-N -1 3 385.090 3.045 10 0 GGAEHM O=C(Cc1c(F)ccc(Br)c1F)Nc1nc(C(F)(F)F)n[n-]1 ZINC000503180769 567472695 /nfs/dbraw/zinc/47/26/95/567472695.db2.gz 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567628006 /nfs/dbraw/zinc/62/80/06/567628006.db2.gz YYLIMSZWYFKWEQ-GWCFXTLKSA-N -1 3 386.208 3.345 10 0 GGAEHM CCOc1cc(CN2CCS(=O)(=O)C(CC)(CC)C2)cc(Cl)c1[O-] ZINC000459492780 567629170 /nfs/dbraw/zinc/62/91/70/567629170.db2.gz OEHQVAHAZLBKFS-UHFFFAOYSA-N -1 3 375.918 3.234 10 0 GGAEHM COc1cccc(C(=O)NC[C@@H](C)Oc2ccc(Br)cc2)c1[O-] ZINC000440478188 567629217 /nfs/dbraw/zinc/62/92/17/567629217.db2.gz KCPRUTKUZZMEII-LLVKDONJSA-N -1 3 380.238 3.361 10 0 GGAEHM COc1ccc([O-])c(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)c1 ZINC000440479713 567630069 /nfs/dbraw/zinc/63/00/69/567630069.db2.gz SLFCSGPWTAJQDW-NSHDSACASA-N -1 3 380.238 3.361 10 0 GGAEHM CCOC(=O)c1csc(CCNCc2cccc([O-])c2Br)n1 ZINC000459501062 567630570 /nfs/dbraw/zinc/63/05/70/567630570.db2.gz YUYATPZSLLDLGU-UHFFFAOYSA-N -1 3 385.283 3.120 10 0 GGAEHM CCOc1cc(CN(C)[C@@H](C)C(=O)NC(C)(C)C)cc(Br)c1[O-] ZINC000459496339 567630858 /nfs/dbraw/zinc/63/08/58/567630858.db2.gz GVZHUXQEFNVOCP-NSHDSACASA-N -1 3 387.318 3.288 10 0 GGAEHM O=C1[C@H](NCc2cccc([O-])c2Br)CCN1Cc1ccc(F)cc1 ZINC000459515281 567631931 /nfs/dbraw/zinc/63/19/31/567631931.db2.gz GYVGZTXQPXVLHS-OAHLLOKOSA-N -1 3 393.256 3.185 10 0 GGAEHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c(Br)c1 ZINC000480796815 567632664 /nfs/dbraw/zinc/63/26/64/567632664.db2.gz JLWDSGLEKDGRFS-VIFPVBQESA-N -1 3 384.242 3.314 10 0 GGAEHM [O-]c1cccc(CN2CCN(c3cc(C4CC4)[nH]n3)CC2)c1Br ZINC000459509359 567632839 /nfs/dbraw/zinc/63/28/39/567632839.db2.gz XGEKSUYCVMVVAD-UHFFFAOYSA-N -1 3 377.286 3.077 10 0 GGAEHM Cc1ccnc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)n1 ZINC000622040012 567633966 /nfs/dbraw/zinc/63/39/66/567633966.db2.gz ABWRSRFZGGIEKL-UHFFFAOYSA-N -1 3 381.885 3.096 10 0 GGAEHM CN(CCn1cc(Br)cn1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000622056200 567634568 /nfs/dbraw/zinc/63/45/68/567634568.db2.gz DMXHSENDQZQLII-UHFFFAOYSA-N -1 3 392.175 3.142 10 0 GGAEHM O=C([C@@H]1CC[C@H](NCc2cccc([O-])c2Br)C1)N1CCCCC1 ZINC000459524081 567634663 /nfs/dbraw/zinc/63/46/63/567634663.db2.gz GLVHCMNAEGQCAE-HIFRSBDPSA-N -1 3 381.314 3.426 10 0 GGAEHM CCOc1cc(CN2CCCC[C@H]2CCC(=O)NC)cc(Br)c1[O-] ZINC000459549144 567635706 /nfs/dbraw/zinc/63/57/06/567635706.db2.gz MRCLOUHFLCZMJR-AWEZNQCLSA-N -1 3 399.329 3.434 10 0 GGAEHM CCc1nc([C@@H]2CCCCN2C(=O)Cc2ccc(Br)cc2[O-])no1 ZINC000645519346 567636297 /nfs/dbraw/zinc/63/62/97/567636297.db2.gz FMBGLFZOWKRTPB-ZDUSSCGKSA-N -1 3 394.269 3.396 10 0 GGAEHM CC[C@H]1CCCCCN1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000506667373 567636855 /nfs/dbraw/zinc/63/68/55/567636855.db2.gz BTSYDDTXNAPCFX-LBPRGKRZSA-N -1 3 393.962 3.044 10 0 GGAEHM CCc1nc([C@H]2CCCCN2C(=O)Cc2ccc(Br)cc2[O-])no1 ZINC000645519345 567637142 /nfs/dbraw/zinc/63/71/42/567637142.db2.gz FMBGLFZOWKRTPB-CYBMUJFWSA-N -1 3 394.269 3.396 10 0 GGAEHM CCOc1cc(CNCc2ccc(OC)nc2OC)cc(Br)c1[O-] ZINC000459563872 567637301 /nfs/dbraw/zinc/63/73/01/567637301.db2.gz VXAMYZKRFNKLEW-UHFFFAOYSA-N -1 3 397.269 3.255 10 0 GGAEHM CCOc1cc(CN2CCC[C@@H](CCNC(C)=O)C2)cc(Br)c1[O-] ZINC000459560179 567637943 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CC(F)(F)c1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000187357702 565326947 /nfs/dbraw/zinc/32/69/47/565326947.db2.gz OGXYXWCUJKTNAU-UHFFFAOYSA-N -1 3 394.852 3.430 10 0 GGAEHM CC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(-c3ccon3)no2)ccc1Cl ZINC000273797495 565337106 /nfs/dbraw/zinc/33/71/06/565337106.db2.gz BHJCFMUFDOUVSE-UHFFFAOYSA-N -1 3 382.829 3.122 10 0 GGAEHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000187848627 565359264 /nfs/dbraw/zinc/35/92/64/565359264.db2.gz NPRPAAVCAUAMCX-UHFFFAOYSA-N -1 3 392.221 3.214 10 0 GGAEHM COc1ccc(F)cc1C[N-]S(=O)(=O)c1sccc1Br ZINC000187848710 565359528 /nfs/dbraw/zinc/35/95/28/565359528.db2.gz CRYVYTXVBTXPTK-UHFFFAOYSA-N -1 3 380.260 3.137 10 0 GGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3nc(Br)ccc3C)cc2)n1 ZINC000187860031 565360692 /nfs/dbraw/zinc/36/06/92/565360692.db2.gz FUMYHTIARXATGD-UHFFFAOYSA-N -1 3 399.248 3.464 10 0 GGAEHM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccnc(C)c2Cl)cc1 ZINC000165265996 565369169 /nfs/dbraw/zinc/36/91/69/565369169.db2.gz 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ZINC000170735717 565389036 /nfs/dbraw/zinc/38/90/36/565389036.db2.gz ZFLHUIGZSWIBEM-LLVKDONJSA-N -1 3 376.297 3.177 10 0 GGAEHM COC[C@@H]([N-]S(=O)(=O)c1sccc1Br)c1ccccc1 ZINC000170735277 565389612 /nfs/dbraw/zinc/38/96/12/565389612.db2.gz GNTZDLKGFGYQFK-GFCCVEGCSA-N -1 3 376.297 3.177 10 0 GGAEHM COC[C@H]([N-]S(=O)(=O)c1sccc1Br)c1ccccc1 ZINC000170735275 565389802 /nfs/dbraw/zinc/38/98/02/565389802.db2.gz GNTZDLKGFGYQFK-LBPRGKRZSA-N -1 3 376.297 3.177 10 0 GGAEHM COC(=O)c1cc(NC([O-])=NOCCC(F)(F)F)ccc1Br ZINC000275251162 565399349 /nfs/dbraw/zinc/39/93/49/565399349.db2.gz QDJKCRGMQQWLFQ-UHFFFAOYSA-N -1 3 385.136 3.241 10 0 GGAEHM COC(=O)c1cc(NC(=O)[N-]OCCC(F)(F)F)ccc1Br ZINC000275251162 565399353 /nfs/dbraw/zinc/39/93/53/565399353.db2.gz QDJKCRGMQQWLFQ-UHFFFAOYSA-N -1 3 385.136 3.241 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)c1cc2ccccc2s1 ZINC000170960809 565400599 /nfs/dbraw/zinc/40/05/99/565400599.db2.gz RBYUZJKQGKTZQY-GFCCVEGCSA-N -1 3 395.527 3.344 10 0 GGAEHM CO[C@H](C)c1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000171055083 565405118 /nfs/dbraw/zinc/40/51/18/565405118.db2.gz ANNHKMRFHKNTJP-SNVBAGLBSA-N -1 3 388.898 3.026 10 0 GGAEHM C[C@H]1C[C@@H]1NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000171067649 565406511 /nfs/dbraw/zinc/40/65/11/565406511.db2.gz LAHCGCQWYBCUQD-BONVTDFDSA-N -1 3 382.844 3.418 10 0 GGAEHM CCOc1cc(CNCc2cccc(C(=O)NC)c2)cc(Br)c1[O-] ZINC000298282579 565407671 /nfs/dbraw/zinc/40/76/71/565407671.db2.gz CYVYOLPVNRQJLB-UHFFFAOYSA-N -1 3 393.281 3.203 10 0 GGAEHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000275989157 565432903 /nfs/dbraw/zinc/43/29/03/565432903.db2.gz FYLDLQIVROMZED-ZBEGNZNMSA-N -1 3 378.475 3.153 10 0 GGAEHM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)CCC2 ZINC000376356743 565433219 /nfs/dbraw/zinc/43/32/19/565433219.db2.gz ZJMLJJLGGJSIPD-JTQLQIEISA-N -1 3 377.413 3.221 10 0 GGAEHM Cc1sc(C[N-]S(=O)(=O)[C@@H]2CCO[C@H]2C)nc1-c1ccc(Cl)cc1 ZINC000276123856 565436575 /nfs/dbraw/zinc/43/65/75/565436575.db2.gz ZIMMNIFSOQOMPI-IINYFYTJSA-N -1 3 386.926 3.369 10 0 GGAEHM Cc1sc(C[N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)nc1-c1ccc(Cl)cc1 ZINC000276123863 565436760 /nfs/dbraw/zinc/43/67/60/565436760.db2.gz ZIMMNIFSOQOMPI-QMTHXVAHSA-N -1 3 386.926 3.369 10 0 GGAEHM Cc1sc(C[N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)nc1-c1ccc(Cl)cc1 ZINC000276123876 565436789 /nfs/dbraw/zinc/43/67/89/565436789.db2.gz ZIMMNIFSOQOMPI-YGRLFVJLSA-N -1 3 386.926 3.369 10 0 GGAEHM COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1OC ZINC000171599474 565439293 /nfs/dbraw/zinc/43/92/93/565439293.db2.gz GNPCEDXFMHZYHN-SNVBAGLBSA-N -1 3 375.899 3.328 10 0 GGAEHM CCOc1cc(CNCc2ccc(CO)c(F)c2)cc(Br)c1[O-] ZINC000299179848 565442881 /nfs/dbraw/zinc/44/28/81/565442881.db2.gz VRVGOLAFDPPTEA-UHFFFAOYSA-N -1 3 384.245 3.475 10 0 GGAEHM COc1cc(Br)ccc1[C@@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000189151542 565447736 /nfs/dbraw/zinc/44/77/36/565447736.db2.gz NDCQJGBLAGNPAQ-SECBINFHSA-N -1 3 375.226 3.220 10 0 GGAEHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccncc2OC)cc1Cl ZINC000189157749 565447772 /nfs/dbraw/zinc/44/77/72/565447772.db2.gz PWIIFBTVSYJUDV-SECBINFHSA-N -1 3 391.276 3.445 10 0 GGAEHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C/C=C/c2ccccc2)cc1Cl ZINC000171837017 565454487 /nfs/dbraw/zinc/45/44/87/565454487.db2.gz CKLOVNFVPPAJGZ-VMPITWQZSA-N -1 3 382.844 3.429 10 0 GGAEHM O=C([O-])c1cccc(CCNCc2cc(Br)cc3c2OCC3)c1 ZINC000276941283 565467808 /nfs/dbraw/zinc/46/78/08/565467808.db2.gz CRLYAKCWJOHQIG-UHFFFAOYSA-N -1 3 376.250 3.415 10 0 GGAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)c1ccc(F)c(F)c1 ZINC000189668267 565481068 /nfs/dbraw/zinc/48/10/68/565481068.db2.gz SNAAXRGZQIADOV-SECBINFHSA-N -1 3 375.418 3.161 10 0 GGAEHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000377542716 565484425 /nfs/dbraw/zinc/48/44/25/565484425.db2.gz HSKYUHSMIQSRKR-KBXCAEBGSA-N -1 3 381.881 3.405 10 0 GGAEHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000377542717 565484681 /nfs/dbraw/zinc/48/46/81/565484681.db2.gz HSKYUHSMIQSRKR-KDOFPFPSSA-N -1 3 381.881 3.405 10 0 GGAEHM CC(C)[C@@H](C)CNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000172578604 565492954 /nfs/dbraw/zinc/49/29/54/565492954.db2.gz IBMXZZOHHKNIKH-LBPRGKRZSA-N -1 3 386.564 3.310 10 0 GGAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1CCc2cc(Cl)ccc21 ZINC000190030739 565503227 /nfs/dbraw/zinc/50/32/27/565503227.db2.gz SWWNWBZNWYCYPY-ZDUSSCGKSA-N -1 3 385.894 3.462 10 0 GGAEHM COCCN(Cc1sccc1Br)C(=O)c1ccc2n[n-]nc2c1 ZINC000190158486 565512693 /nfs/dbraw/zinc/51/26/93/565512693.db2.gz HFLMYLIDJVMNSM-UHFFFAOYSA-N -1 3 395.282 3.071 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]CCc2nc(-c3ccccc3)n[nH]2)sc1Cl ZINC000190182669 565513803 /nfs/dbraw/zinc/51/38/03/565513803.db2.gz DPCHFHKLVCBZBD-UHFFFAOYSA-N -1 3 382.898 3.016 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]CCc2nnc(-c3ccccc3)[nH]2)sc1Cl ZINC000190182669 565513806 /nfs/dbraw/zinc/51/38/06/565513806.db2.gz DPCHFHKLVCBZBD-UHFFFAOYSA-N -1 3 382.898 3.016 10 0 GGAEHM Cc1c2c(sc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)CCCC2 ZINC000173059206 565523708 /nfs/dbraw/zinc/52/37/08/565523708.db2.gz WTYBTSVUEVDBBL-NSHDSACASA-N -1 3 384.548 3.302 10 0 GGAEHM CC[C@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)c1nccs1 ZINC000173186679 565534879 /nfs/dbraw/zinc/53/48/79/565534879.db2.gz VPTWDILNBGPQSN-NSHDSACASA-N -1 3 379.276 3.474 10 0 GGAEHM COc1cccc([C@@H](C)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000173187012 565535332 /nfs/dbraw/zinc/53/53/32/565535332.db2.gz YEYGLYHTQNBLJX-CQSZACIVSA-N -1 3 380.535 3.261 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1nc(C)c(C)s1 ZINC000173226416 565538621 /nfs/dbraw/zinc/53/86/21/565538621.db2.gz PLXXYWIRWIOKGM-UHFFFAOYSA-N -1 3 391.312 3.010 10 0 GGAEHM O=S(=O)([N-]CCc1ccncc1)c1c(Cl)cccc1Br ZINC000380094164 565539497 /nfs/dbraw/zinc/53/94/97/565539497.db2.gz LSJVEMLLKGOTKC-UHFFFAOYSA-N -1 3 375.675 3.019 10 0 GGAEHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)o1 ZINC000380516001 565539567 /nfs/dbraw/zinc/53/95/67/565539567.db2.gz ASCMISDZGJLCSM-UHFFFAOYSA-N -1 3 379.663 3.186 10 0 GGAEHM CCC(CC)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000380002360 565539582 /nfs/dbraw/zinc/53/95/82/565539582.db2.gz PPTJULJCOYXJKW-LBPRGKRZSA-N -1 3 384.723 3.178 10 0 GGAEHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N=c1[nH][n-]cc1Br ZINC000380369573 565540169 /nfs/dbraw/zinc/54/01/69/565540169.db2.gz QRDDRTFHYUGBFZ-ZCFIWIBFSA-N -1 3 379.041 3.307 10 0 GGAEHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)OC ZINC000381308066 565541893 /nfs/dbraw/zinc/54/18/93/565541893.db2.gz SLARARUMMLHCEY-JOYOIKCWSA-N -1 3 384.723 3.442 10 0 GGAEHM O=S(=O)([N-][C@H]1CCc2ccccc2C1)c1ccc(F)cc1Br ZINC000386132735 565546298 /nfs/dbraw/zinc/54/62/98/565546298.db2.gz VSDGSYUYXJERCY-AWEZNQCLSA-N -1 3 384.270 3.424 10 0 GGAEHM CN(C)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCC1 ZINC000385889632 565546855 /nfs/dbraw/zinc/54/68/55/565546855.db2.gz UGHVNOHOBXSWNC-UHFFFAOYSA-N -1 3 395.750 3.255 10 0 GGAEHM CN1CCC[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)[C@@H]1c1cccs1 ZINC000173324972 565549085 /nfs/dbraw/zinc/54/90/85/565549085.db2.gz JWFYOMSIABNIJA-YVEFUNNKSA-N -1 3 386.489 3.388 10 0 GGAEHM Cc1ncc(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)s1 ZINC000388441697 565550378 /nfs/dbraw/zinc/55/03/78/565550378.db2.gz WFDGLCBEWLOCAC-UHFFFAOYSA-N -1 3 381.704 3.346 10 0 GGAEHM Cc1nccn1CCNCc1cc(Br)c([O-])c(Br)c1 ZINC000389115197 565553105 /nfs/dbraw/zinc/55/31/05/565553105.db2.gz LYDLVEVAIOREHB-UHFFFAOYSA-N -1 3 389.091 3.212 10 0 GGAEHM COc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)ccc1F ZINC000190764897 565557301 /nfs/dbraw/zinc/55/73/01/565557301.db2.gz HKRBIYWDNONYKI-UHFFFAOYSA-N -1 3 381.816 3.474 10 0 GGAEHM Cc1nn(C)c(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000173470389 565559675 /nfs/dbraw/zinc/55/96/75/565559675.db2.gz WCBLGNBJBJQPGJ-SECBINFHSA-N -1 3 376.309 3.253 10 0 GGAEHM O=S(=O)([N-]CCCc1nccs1)c1ccc(Cl)c(Br)c1 ZINC000391341268 565559817 /nfs/dbraw/zinc/55/98/17/565559817.db2.gz ZLWQNXYOBLBIFP-UHFFFAOYSA-N -1 3 395.731 3.470 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]CCCc2nccs2)sc1Br ZINC000391347081 565560009 /nfs/dbraw/zinc/56/00/09/565560009.db2.gz QPTZXMGGSMLACA-UHFFFAOYSA-N -1 3 381.342 3.187 10 0 GGAEHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)o1 ZINC000394269659 565570157 /nfs/dbraw/zinc/57/01/57/565570157.db2.gz LHHJNLGKNDXFEX-UHFFFAOYSA-N -1 3 379.663 3.186 10 0 GGAEHM O=S(=O)([N-]CCCCF)c1cc(Br)ccc1Br ZINC000310546978 565579645 /nfs/dbraw/zinc/57/96/45/565579645.db2.gz SQHKBRLVAPLDLN-UHFFFAOYSA-N -1 3 389.084 3.240 10 0 GGAEHM COC(=O)c1c([N-]C(=O)c2nscc2Br)sc2c1CCC2 ZINC000404755385 565584325 /nfs/dbraw/zinc/58/43/25/565584325.db2.gz FCTIKDMKVQNCJE-UHFFFAOYSA-N -1 3 387.280 3.495 10 0 GGAEHM CCC[C@](C)([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)OC ZINC000313958921 565584629 /nfs/dbraw/zinc/58/46/29/565584629.db2.gz BDYXJOFIMVLHEC-ZDUSSCGKSA-N -1 3 398.706 3.113 10 0 GGAEHM O=S(=O)([N-]CCOc1ccccc1)c1c(Cl)cccc1Br ZINC000314162861 565585609 /nfs/dbraw/zinc/58/56/09/565585609.db2.gz HGMNKVCGOMEMKM-UHFFFAOYSA-N -1 3 390.686 3.460 10 0 GGAEHM O=S(=O)([N-]CCCCn1ccnc1)c1c(Cl)cccc1Br ZINC000314002387 565585801 /nfs/dbraw/zinc/58/58/01/565585801.db2.gz JYXXXEWDBNOPMR-UHFFFAOYSA-N -1 3 392.706 3.058 10 0 GGAEHM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)CN1CCCC1 ZINC000314115513 565586046 /nfs/dbraw/zinc/58/60/46/565586046.db2.gz AMATUIDHOOGYAO-NSHDSACASA-N -1 3 395.750 3.113 10 0 GGAEHM O=S(=O)([N-][C@@H](CO)c1ccccc1)c1c(Cl)cccc1Br ZINC000314267038 565586520 /nfs/dbraw/zinc/58/65/20/565586520.db2.gz UWCAHNYXLIUJLS-ZDUSSCGKSA-N -1 3 390.686 3.114 10 0 GGAEHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC000173798438 565587750 /nfs/dbraw/zinc/58/77/50/565587750.db2.gz QNLFVWSJWHJRRK-UHFFFAOYSA-N -1 3 377.809 3.046 10 0 GGAEHM CSc1cc(O)ccc1[N-]C(=O)c1cnn2cc(Br)cnc12 ZINC000191185711 565587920 /nfs/dbraw/zinc/58/79/20/565587920.db2.gz JFDOKPDNDFRLKJ-UHFFFAOYSA-N -1 3 379.239 3.172 10 0 GGAEHM CCc1cnc(CC[N-]S(=O)(=O)c2ccc(Br)c(F)c2)s1 ZINC000173810144 565588940 /nfs/dbraw/zinc/58/89/40/565588940.db2.gz NLFZPOVVMVLGMS-UHFFFAOYSA-N -1 3 393.303 3.128 10 0 GGAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCC[C@H]1[C@H]1CCCO1 ZINC000408091802 565594726 /nfs/dbraw/zinc/59/47/26/565594726.db2.gz XLTXUFRGNBXATC-JKSUJKDBSA-N -1 3 391.265 3.074 10 0 GGAEHM O=C(c1c[n-]c2ccc(Br)cc2c1=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000408195147 565597717 /nfs/dbraw/zinc/59/77/17/565597717.db2.gz LLBWBDYYDHMLGI-CVEARBPZSA-N -1 3 391.265 3.074 10 0 GGAEHM O=C(c1cnc2ccc(Br)cc2c1[O-])N1CCO[C@H]2CCCC[C@H]21 ZINC000408195147 565597721 /nfs/dbraw/zinc/59/77/21/565597721.db2.gz LLBWBDYYDHMLGI-CVEARBPZSA-N -1 3 391.265 3.074 10 0 GGAEHM C[C@@H]1COC[C@@H](C)N1C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000408274097 565602172 /nfs/dbraw/zinc/60/21/72/565602172.db2.gz VZCWYTXFRARQFI-RKDXNWHRSA-N -1 3 399.672 3.193 10 0 GGAEHM C[C@@H]1COC[C@@H](C)N1C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000408274097 565602174 /nfs/dbraw/zinc/60/21/74/565602174.db2.gz VZCWYTXFRARQFI-RKDXNWHRSA-N -1 3 399.672 3.193 10 0 GGAEHM CO[C@@]1(C)CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000408325256 565604415 /nfs/dbraw/zinc/60/44/15/565604415.db2.gz YIDANZASLQDRSF-SFHVURJKSA-N -1 3 393.281 3.322 10 0 GGAEHM CCS(=O)(=O)c1ccc(C[N-]C(=O)C(F)(F)c2ccccc2F)s1 ZINC000279468892 565614353 /nfs/dbraw/zinc/61/43/53/565614353.db2.gz QOYNVKHSLZXJDG-UHFFFAOYSA-N -1 3 377.409 3.089 10 0 GGAEHM CC(C)COCCC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000409542197 565623214 /nfs/dbraw/zinc/62/32/14/565623214.db2.gz FAAWWLNNRGNIBA-UHFFFAOYSA-N -1 3 385.237 3.375 10 0 GGAEHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc2ccccc21)c1cccs1 ZINC000328368696 565634333 /nfs/dbraw/zinc/63/43/33/565634333.db2.gz VOBQTOZNYUIHEZ-OAHLLOKOSA-N -1 3 375.471 3.484 10 0 GGAEHM NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2Br)c1 ZINC000191863997 565637806 /nfs/dbraw/zinc/63/78/06/565637806.db2.gz TUJZGOWVAJTADK-UHFFFAOYSA-N -1 3 389.658 3.002 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(-n3cncn3)cc2)sc1Cl ZINC000191853394 565637979 /nfs/dbraw/zinc/63/79/79/565637979.db2.gz 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565690479 /nfs/dbraw/zinc/69/04/79/565690479.db2.gz KNZLZUYDLHGQSD-UHFFFAOYSA-N -1 3 375.313 3.255 10 0 GGAEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(OC)c1)c1nccs1 ZINC000175300306 565691662 /nfs/dbraw/zinc/69/16/62/565691662.db2.gz LFIWUJDJFXIDRD-LLVKDONJSA-N -1 3 391.312 3.344 10 0 GGAEHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000410870964 565699086 /nfs/dbraw/zinc/69/90/86/565699086.db2.gz FQBBLYVGOBNDEI-SNVBAGLBSA-N -1 3 377.857 3.294 10 0 GGAEHM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000330365920 565702849 /nfs/dbraw/zinc/70/28/49/565702849.db2.gz JGIQKCYSIWFEPT-SECBINFHSA-N -1 3 384.723 3.178 10 0 GGAEHM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000330419206 565705162 /nfs/dbraw/zinc/70/51/62/565705162.db2.gz QCDJKKWTAVCOTK-RNCFNFMXSA-N -1 3 384.723 3.178 10 0 GGAEHM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCO1 ZINC000330412408 565705213 /nfs/dbraw/zinc/70/52/13/565705213.db2.gz LXWJGVYHDFQXPE-UWVGGRQHSA-N -1 3 382.707 3.196 10 0 GGAEHM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCC[C@@H]1O ZINC000330419034 565705724 /nfs/dbraw/zinc/70/57/24/565705724.db2.gz PBPWKNJVPUCWGQ-GXTWGEPZSA-N -1 3 396.734 3.322 10 0 GGAEHM Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C)C(F)(F)F ZINC000330701923 565719299 /nfs/dbraw/zinc/71/92/99/565719299.db2.gz HVBUZQYKGNZSGM-CQSZACIVSA-N -1 3 379.379 3.066 10 0 GGAEHM Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C)c1)C(F)(F)F ZINC000330704876 565719560 /nfs/dbraw/zinc/71/95/60/565719560.db2.gz KCRKEHYHLLXUAO-CQSZACIVSA-N -1 3 379.379 3.066 10 0 GGAEHM O=S(=O)([N-]C[C@@H]1CCN(Cc2ccccc2)C1)c1c(F)cccc1Cl ZINC000192979681 565722264 /nfs/dbraw/zinc/72/22/64/565722264.db2.gz VEQVWFUDCVVBFU-HNNXBMFYSA-N -1 3 382.888 3.280 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-][C@H](c2c(C)nn(C)c2C)C(F)(F)F)c(C)s1 ZINC000330831730 565725518 /nfs/dbraw/zinc/72/55/18/565725518.db2.gz HEGOEPFGXFGFAV-CYBMUJFWSA-N -1 3 381.445 3.297 10 0 GGAEHM COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)c2ncc(C)s2)c(Cl)c1 ZINC000175890725 565732614 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O=S(=O)([N-][C@@H]1CCCc2c[nH]nc21)c1c(Cl)cccc1Br ZINC000282274401 565772713 /nfs/dbraw/zinc/77/27/13/565772713.db2.gz ILRLQYFGXQDLSZ-LLVKDONJSA-N -1 3 390.690 3.182 10 0 GGAEHM O=S(=O)([N-][C@H]1CCCc2c[nH]nc21)c1c(Cl)cccc1Br ZINC000282274403 565773122 /nfs/dbraw/zinc/77/31/22/565773122.db2.gz ILRLQYFGXQDLSZ-NSHDSACASA-N -1 3 390.690 3.182 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CCOCC1 ZINC000282368509 565776313 /nfs/dbraw/zinc/77/63/13/565776313.db2.gz VARJWHIFMOHYID-SECBINFHSA-N -1 3 382.707 3.196 10 0 GGAEHM Cc1cccc(S(=O)(=O)[N-][C@H](C)C2CCN(CC(F)(F)F)CC2)c1F ZINC000193860929 565779368 /nfs/dbraw/zinc/77/93/68/565779368.db2.gz SVKHVJMXYPMASN-GFCCVEGCSA-N -1 3 382.423 3.075 10 0 GGAEHM CCN(CC)[C@H](CNC(=O)c1s[n-]c(=O)c1Cl)c1cccc(OC)c1 ZINC000282869608 565800568 /nfs/dbraw/zinc/80/05/68/565800568.db2.gz DMPIRFUILGSLHU-CYBMUJFWSA-N -1 3 383.901 3.324 10 0 GGAEHM O=C(CCCc1cc(Cl)sc1Cl)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282968544 565805024 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Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000177004155 565821667 /nfs/dbraw/zinc/82/16/67/565821667.db2.gz GJENSIPUQVHESG-NSHDSACASA-N -1 3 395.699 3.360 10 0 GGAEHM Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000177001309 565822013 /nfs/dbraw/zinc/82/20/13/565822013.db2.gz SDHYDNSTFDLRHQ-LLVKDONJSA-N -1 3 394.806 3.072 10 0 GGAEHM Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000177001295 565822085 /nfs/dbraw/zinc/82/20/85/565822085.db2.gz SDHYDNSTFDLRHQ-NSHDSACASA-N -1 3 394.806 3.072 10 0 GGAEHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194811798 565840145 /nfs/dbraw/zinc/84/01/45/565840145.db2.gz HIUHPFSYHFXMPB-JGVFFNPUSA-N -1 3 390.221 3.170 10 0 GGAEHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](CO)c1cccc(Br)c1 ZINC000194831728 565842382 /nfs/dbraw/zinc/84/23/82/565842382.db2.gz IIAFPHUAMGVLQC-CYBMUJFWSA-N -1 3 385.208 3.094 10 0 GGAEHM COCC(C)(C)CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000413380100 565849617 /nfs/dbraw/zinc/84/96/17/565849617.db2.gz UAVWZKBOWWIGPW-UHFFFAOYSA-N -1 3 382.404 3.078 10 0 GGAEHM CCN1CCC[C@@H]1CN(C)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000177423172 565850458 /nfs/dbraw/zinc/85/04/58/565850458.db2.gz CWNHCJQBZQVVMR-LLVKDONJSA-N -1 3 375.694 3.364 10 0 GGAEHM CCOC(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000195073055 565857096 /nfs/dbraw/zinc/85/70/96/565857096.db2.gz RRGMOLSWNRHEEM-RYUDHWBXSA-N -1 3 379.400 3.263 10 0 GGAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@H]3CCCC[C@H]3C(F)(F)F)cn21 ZINC000333184202 565869769 /nfs/dbraw/zinc/86/97/69/565869769.db2.gz QJQGXMGQPVJVNU-FRRDWIJNSA-N -1 3 379.448 3.427 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)n[n-]1 ZINC000629974381 565878181 /nfs/dbraw/zinc/87/81/81/565878181.db2.gz ILIANUCEILJKFU-IUIKQTSFSA-N -1 3 398.264 3.097 10 0 GGAEHM Cn1ccnc1-c1cc(NC(=O)[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]23)[n-]n1 ZINC000629974381 565878187 /nfs/dbraw/zinc/87/81/87/565878187.db2.gz ILIANUCEILJKFU-IUIKQTSFSA-N -1 3 398.264 3.097 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1C[C@H](O)C[C@H]1c1ccccc1 ZINC000413935293 565881078 /nfs/dbraw/zinc/88/10/78/565881078.db2.gz GNQRZJMKFCPQSI-CVEARBPZSA-N -1 3 376.250 3.032 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000413935295 565881828 /nfs/dbraw/zinc/88/18/28/565881828.db2.gz GNQRZJMKFCPQSI-HZPDHXFCSA-N -1 3 376.250 3.032 10 0 GGAEHM COC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1ccccc1 ZINC000178063683 565893579 /nfs/dbraw/zinc/89/35/79/565893579.db2.gz VRAWPXSGSBZSSZ-OAHLLOKOSA-N -1 3 379.254 3.342 10 0 GGAEHM O=c1[n-]nc(SCCOc2c(Cl)cccc2Cl)n1C[C@@H]1CCCO1 ZINC000198391456 565893679 /nfs/dbraw/zinc/89/36/79/565893679.db2.gz HMWXHXQDCFXMPI-JTQLQIEISA-N -1 3 390.292 3.228 10 0 GGAEHM COCCc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Br)cc1 ZINC000285394111 565904501 /nfs/dbraw/zinc/90/45/01/565904501.db2.gz YULSRUFKJWTEGT-UHFFFAOYSA-N -1 3 385.283 3.142 10 0 GGAEHM COC(=O)C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(Br)cc1 ZINC000178268988 565908444 /nfs/dbraw/zinc/90/84/44/565908444.db2.gz QQXNHFLBXBKOES-OAHLLOKOSA-N -1 3 378.222 3.189 10 0 GGAEHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(Sc2nc(C)cc(C)n2)cc1 ZINC000414365971 565916368 /nfs/dbraw/zinc/91/63/68/565916368.db2.gz APIMMFGJWUYWBI-UHFFFAOYSA-N -1 3 381.523 3.411 10 0 GGAEHM COC(C)(C)CS(=O)(=O)[N-]c1cc(Cl)ccc1N1CCSCC1 ZINC000414376100 565918778 /nfs/dbraw/zinc/91/87/78/565918778.db2.gz BTKKICIKSCGFKT-UHFFFAOYSA-N -1 3 378.947 3.060 10 0 GGAEHM CN(C)CCOc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1F ZINC000414387503 565921330 /nfs/dbraw/zinc/92/13/30/565921330.db2.gz JNLVJDFQYSNRLP-UHFFFAOYSA-N -1 3 390.839 3.359 10 0 GGAEHM C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000285690233 565922421 /nfs/dbraw/zinc/92/24/21/565922421.db2.gz RQTVIOHSGWTHFJ-ZJUUUORDSA-N -1 3 382.707 3.053 10 0 GGAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)s1 ZINC000178508608 565923305 /nfs/dbraw/zinc/92/33/05/565923305.db2.gz AJNOVDWFPBTIJV-QMMMGPOBSA-N -1 3 377.846 3.367 10 0 GGAEHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000178521570 565924329 /nfs/dbraw/zinc/92/43/29/565924329.db2.gz NZBYEXKYHPGFSJ-VIFPVBQESA-N -1 3 389.807 3.444 10 0 GGAEHM O=C(NCc1ccc([O-])c(Br)c1)N[C@@H]1CCOc2ccccc21 ZINC000178539966 565924466 /nfs/dbraw/zinc/92/44/66/565924466.db2.gz WRYYKWCBCVCNLQ-CQSZACIVSA-N -1 3 377.238 3.478 10 0 GGAEHM O=C(NCc1ccc([O-])c(Br)c1)N[C@H]1CCOc2ccccc21 ZINC000178539979 565924726 /nfs/dbraw/zinc/92/47/26/565924726.db2.gz WRYYKWCBCVCNLQ-AWEZNQCLSA-N -1 3 377.238 3.478 10 0 GGAEHM Cc1nc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(C)s1 ZINC000178716151 565933641 /nfs/dbraw/zinc/93/36/41/565933641.db2.gz AWOWEUHUMFEYOA-UHFFFAOYSA-N -1 3 385.486 3.228 10 0 GGAEHM CC(C)OCCCNC(=O)Cc1noc(-c2cc3cc(Cl)sc3[n-]2)n1 ZINC000350436638 565935772 /nfs/dbraw/zinc/93/57/72/565935772.db2.gz LZPKHRLQVSMSDX-UHFFFAOYSA-N -1 3 382.873 3.407 10 0 GGAEHM Cc1[nH]nc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1Br ZINC000414466302 565937575 /nfs/dbraw/zinc/93/75/75/565937575.db2.gz 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567106636 /nfs/dbraw/zinc/10/66/36/567106636.db2.gz WWHMEXJEQYQAEW-WCQYABFASA-N -1 3 379.555 3.239 10 0 GGAEHM O=C(CCCOc1ccccc1Br)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473853465 567108146 /nfs/dbraw/zinc/10/81/46/567108146.db2.gz WWLCLVVNEFGZOT-OAHLLOKOSA-N -1 3 394.269 3.243 10 0 GGAEHM CC(C)(C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc(Br)c1 ZINC000473853635 567108225 /nfs/dbraw/zinc/10/82/25/567108225.db2.gz WPYHMWIDOWKFBG-CQSZACIVSA-N -1 3 378.270 3.362 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000431797565 567108593 /nfs/dbraw/zinc/10/85/93/567108593.db2.gz XCCLUXHDMMFETD-QGZVFWFLSA-N -1 3 394.240 3.436 10 0 GGAEHM COc1ccc(COCCNC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000497554755 567109789 /nfs/dbraw/zinc/10/97/89/567109789.db2.gz KEGYNALSCTYODY-UHFFFAOYSA-N -1 3 394.265 3.039 10 0 GGAEHM COC(=O)CCc1nnc([N-]C(=O)c2c(Cl)cc(F)cc2Cl)s1 ZINC000431817893 567110126 /nfs/dbraw/zinc/11/01/26/567110126.db2.gz LBYXAJLFDAKWOU-UHFFFAOYSA-N -1 3 378.212 3.342 10 0 GGAEHM 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C[C@]1(c2ccc(CNC(=O)c3cc(Cl)sc3Cl)cc2)NC(=O)[N-]C1=O ZINC000523173505 567146285 /nfs/dbraw/zinc/14/62/85/567146285.db2.gz TYLPSOXKTNMSPH-MRXNPFEDSA-N -1 3 398.271 3.040 10 0 GGAEHM CCc1cccc(CC)c1S(=O)(=O)[N-][C@@H](c1cnn(C)c1)C(F)(F)F ZINC000683703245 567147368 /nfs/dbraw/zinc/14/73/68/567147368.db2.gz MJVHKYNZUYTCJG-HNNXBMFYSA-N -1 3 375.416 3.127 10 0 GGAEHM CCn1cnc(S(=O)(=O)[N-]Cc2ccc(-c3ccc(OC)cc3)s2)c1 ZINC000474219479 567149683 /nfs/dbraw/zinc/14/96/83/567149683.db2.gz LRZIEPVHNPQFTQ-UHFFFAOYSA-N -1 3 377.491 3.119 10 0 GGAEHM NC(=O)c1csc(=NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[n-]1 ZINC000432340795 567151219 /nfs/dbraw/zinc/15/12/19/567151219.db2.gz PJSBLPXGHXEZEY-UHFFFAOYSA-N -1 3 385.320 3.047 10 0 GGAEHM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cncc(Br)c2)C1 ZINC000546767846 567156445 /nfs/dbraw/zinc/15/64/45/567156445.db2.gz YSQWMKRPLTTYBV-MQMHXKEQSA-N -1 3 381.295 3.377 10 0 GGAEHM COCCOc1ccccc1CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000432417336 567159827 /nfs/dbraw/zinc/15/98/27/567159827.db2.gz 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/nfs/dbraw/zinc/23/82/13/567238213.db2.gz RKYALJJFNWGAKT-SNVBAGLBSA-N -1 3 389.258 3.469 10 0 GGAEHM CCOC(=O)c1ncc(NC(=O)CCc2cccc(F)c2Br)[n-]1 ZINC000590746149 567243108 /nfs/dbraw/zinc/24/31/08/567243108.db2.gz HFUNQPTVJGJKDC-UHFFFAOYSA-N -1 3 384.205 3.059 10 0 GGAEHM CCOC(=O)c1nc(NC(=O)CCc2cccc(F)c2Br)c[n-]1 ZINC000590746149 567243109 /nfs/dbraw/zinc/24/31/09/567243109.db2.gz HFUNQPTVJGJKDC-UHFFFAOYSA-N -1 3 384.205 3.059 10 0 GGAEHM Cc1nc2ccccc2n1CCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000547739247 567243359 /nfs/dbraw/zinc/24/33/59/567243359.db2.gz XTAKNMCOBDZOQG-UHFFFAOYSA-N -1 3 388.265 3.172 10 0 GGAEHM C[C@H](CNC(=O)Cc1ccc(Br)cc1[O-])N1CCc2ccccc21 ZINC000547745162 567243848 /nfs/dbraw/zinc/24/38/48/567243848.db2.gz CEBMMKCBPVYGAV-CYBMUJFWSA-N -1 3 389.293 3.265 10 0 GGAEHM CCc1ccc([C@@H]2COCCN2C(=O)Cc2ccc(Br)cc2[O-])o1 ZINC000433355353 567244569 /nfs/dbraw/zinc/24/45/69/567244569.db2.gz VTPSODOCTQJIRA-HNNXBMFYSA-N -1 3 394.265 3.453 10 0 GGAEHM CC(C)(C[N-]S(=O)(=O)c1cccc(Br)c1F)[C@@H]1CCCCO1 ZINC000684913509 567245057 /nfs/dbraw/zinc/24/50/57/567245057.db2.gz JVFMEZSYVMSXBS-ZDUSSCGKSA-N -1 3 394.306 3.462 10 0 GGAEHM O=S(=O)([N-]CCOCC1CCC1)c1ccc(Cl)cc1Br ZINC000684919660 567245971 /nfs/dbraw/zinc/24/59/71/567245971.db2.gz UPXPYWOLNBWTFB-UHFFFAOYSA-N -1 3 382.707 3.198 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000433379628 567247506 /nfs/dbraw/zinc/24/75/06/567247506.db2.gz VIYBOZHDPHBBGF-HUUCEWRRSA-N -1 3 380.282 3.448 10 0 GGAEHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H](O)C(C)C ZINC000660026576 567248977 /nfs/dbraw/zinc/24/89/77/567248977.db2.gz GWQZQFAYUHQRAF-MSOLQXFVSA-N -1 3 383.897 3.385 10 0 GGAEHM COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H]2C(C)(C)C2(F)F)c1 ZINC000660022398 567249479 /nfs/dbraw/zinc/24/94/79/567249479.db2.gz UQCGQKBNDWIORN-NSHDSACASA-N -1 3 384.242 3.027 10 0 GGAEHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1C(C)(C)C1(F)F ZINC000660022374 567249673 /nfs/dbraw/zinc/24/96/73/567249673.db2.gz UAUSTTHIIQEPGX-CQSZACIVSA-N -1 3 397.871 3.325 10 0 GGAEHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)C2CCC(F)CC2)s1 ZINC000660035413 567250215 /nfs/dbraw/zinc/25/02/15/567250215.db2.gz WBTMORYRDIICLM-YWBBTBBSSA-N -1 3 376.519 3.140 10 0 GGAEHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](O)C(C)C)c1 ZINC000660030184 567250906 /nfs/dbraw/zinc/25/09/06/567250906.db2.gz PRKZKUFMJRESFU-QZTJIDSGSA-N -1 3 383.897 3.385 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C1CCC(F)CC1 ZINC000660035650 567251013 /nfs/dbraw/zinc/25/10/13/567251013.db2.gz YZXFLBTWTGUBKK-XSRFYTQQSA-N -1 3 388.892 3.420 10 0 GGAEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)C1CC1 ZINC000660042959 567252087 /nfs/dbraw/zinc/25/20/87/567252087.db2.gz DTEKBEFRMGQNJW-INIZCTEOSA-N -1 3 386.583 3.166 10 0 GGAEHM CC(C)(C)c1cc(Br)cc(NC(=O)c2nc3ncccn3n2)c1[O-] ZINC000616688018 567252214 /nfs/dbraw/zinc/25/22/14/567252214.db2.gz KICLNCVWEGBXDX-UHFFFAOYSA-N -1 3 390.241 3.142 10 0 GGAEHM CO[C@H](C(=O)Nc1cc(Br)cc(C(C)(C)C)c1[O-])[C@H]1CCOC1 ZINC000616688147 567252225 /nfs/dbraw/zinc/25/22/25/567252225.db2.gz MIDBZPRYFPOHNB-BONVTDFDSA-N -1 3 386.286 3.442 10 0 GGAEHM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]CC(F)(F)c1ccc(F)cc1 ZINC000660056738 567252409 /nfs/dbraw/zinc/25/24/09/567252409.db2.gz OPFXLDXZXBSTGH-UHFFFAOYSA-N -1 3 375.416 3.290 10 0 GGAEHM Cn1cc(CCC(=O)Nc2cc(Br)cc(C(C)(C)C)c2[O-])nn1 ZINC000616688466 567252781 /nfs/dbraw/zinc/25/27/81/567252781.db2.gz SBFGYHDVUJIZLC-UHFFFAOYSA-N -1 3 381.274 3.152 10 0 GGAEHM Cc1cccc2cc(S(=O)(=O)[N-]CC(C)(C)[C@]3(O)CCCOC3)sc21 ZINC000660057943 567253591 /nfs/dbraw/zinc/25/35/91/567253591.db2.gz QXAJPBDHYOXCJO-SFHVURJKSA-N -1 3 383.535 3.056 10 0 GGAEHM Cc1ncc(NC(=O)NCc2ccc([O-])c(Br)c2)c(C2CC2)n1 ZINC000685014708 567254174 /nfs/dbraw/zinc/25/41/74/567254174.db2.gz YUETXZYZTJHSIX-UHFFFAOYSA-N -1 3 377.242 3.452 10 0 GGAEHM O=S(=O)([N-][C@@H]1COc2ccc(F)cc2C1)c1c(Cl)cccc1Cl ZINC000567541212 567255486 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CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCC[C@@H]2C)cc1 ZINC000547948079 567268811 /nfs/dbraw/zinc/26/88/11/567268811.db2.gz TXFXTIFIFHFZKL-HNNXBMFYSA-N -1 3 388.555 3.182 10 0 GGAEHM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000660161198 567271899 /nfs/dbraw/zinc/27/18/99/567271899.db2.gz DNBWANWYDLWAEZ-BMIGLBTASA-N -1 3 377.359 3.245 10 0 GGAEHM COC(=O)c1[n-]c(=NC[C@@H](C)Oc2ccccc2Br)sc1C ZINC000433784963 567272285 /nfs/dbraw/zinc/27/22/85/567272285.db2.gz GUQRGMXQLNOLEM-SECBINFHSA-N -1 3 385.283 3.302 10 0 GGAEHM C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1ccccc1 ZINC000660159060 567272368 /nfs/dbraw/zinc/27/23/68/567272368.db2.gz QPHAUIVOQKLXEH-BMIGLBTASA-N -1 3 391.823 3.342 10 0 GGAEHM C[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccccc1 ZINC000660161199 567272485 /nfs/dbraw/zinc/27/24/85/567272485.db2.gz DNBWANWYDLWAEZ-BONVTDFDSA-N -1 3 377.359 3.245 10 0 GGAEHM Cc1nccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1Br ZINC000525871085 567272496 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3.219 10 0 GGAEHM C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1ccccc1 ZINC000660161573 567274020 /nfs/dbraw/zinc/27/40/20/567274020.db2.gz GNBOLJWRJCIWSU-MEBBXXQBSA-N -1 3 377.359 3.245 10 0 GGAEHM COC(=O)c1c(Cl)cccc1S(=O)(=O)[N-]CC(C)(C)[C@@H]1CCCCO1 ZINC000591326670 567274553 /nfs/dbraw/zinc/27/45/53/567274553.db2.gz ZYFYWZKIGYPTFE-AWEZNQCLSA-N -1 3 389.901 3.000 10 0 GGAEHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000475771278 567274557 /nfs/dbraw/zinc/27/45/57/567274557.db2.gz HQSHHUHBFYCAOL-CQSZACIVSA-N -1 3 382.295 3.054 10 0 GGAEHM CC(C)[C@H]1C[C@@H](CNC(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000455439353 567275916 /nfs/dbraw/zinc/27/59/16/567275916.db2.gz WMMWEBULWKZDKP-XJKSGUPXSA-N -1 3 385.302 3.405 10 0 GGAEHM O=C(C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)NC1CCCCC1 ZINC000433833982 567276008 /nfs/dbraw/zinc/27/60/08/567276008.db2.gz AOGBCFALXNBMNW-UHFFFAOYSA-N -1 3 386.926 3.282 10 0 GGAEHM CN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1ccc(Br)cc1[O-] ZINC000548066180 567276514 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CC(C)(C[N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1)CC(F)(F)F ZINC000660199388 567280251 /nfs/dbraw/zinc/28/02/51/567280251.db2.gz HICCAZLPXMIKTQ-UHFFFAOYSA-N -1 3 377.388 3.357 10 0 GGAEHM CCC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2)c1ccccn1 ZINC000591392822 567280370 /nfs/dbraw/zinc/28/03/70/567280370.db2.gz ZLNGDKMEZHTGNX-CQSZACIVSA-N -1 3 382.869 3.326 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000567831715 567281739 /nfs/dbraw/zinc/28/17/39/567281739.db2.gz XQPNCIUIAWWHLY-UXIGCNINSA-N -1 3 398.937 3.131 10 0 GGAEHM C[C@@H]1CCCCN(C(=O)c2sccc2S(=O)(=O)[N-]Cc2ccco2)C1 ZINC000475867132 567283445 /nfs/dbraw/zinc/28/34/45/567283445.db2.gz PWKKSVLWZACBTN-CYBMUJFWSA-N -1 3 382.507 3.082 10 0 GGAEHM Cc1ccncc1CN(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000526025755 567283439 /nfs/dbraw/zinc/28/34/39/567283439.db2.gz QSGZQNZZUMAGNF-UHFFFAOYSA-N -1 3 386.249 3.266 10 0 GGAEHM COc1cc(=NC(=O)N2CCC[C@@H]2c2ccc(Br)s2)[n-]n1C ZINC000548167615 567284877 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CN(C)c1nc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc(=O)[n-]1 ZINC000434112607 567293749 /nfs/dbraw/zinc/29/37/49/567293749.db2.gz YAHODDWLIIJGSY-UHFFFAOYSA-N -1 3 375.841 3.277 10 0 GGAEHM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccnc(C)c2Br)c1 ZINC000526119893 567294467 /nfs/dbraw/zinc/29/44/67/567294467.db2.gz IJFMZUYLTYIKTH-UHFFFAOYSA-N -1 3 391.674 3.037 10 0 GGAEHM Cc1nccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c1Br ZINC000526120478 567294970 /nfs/dbraw/zinc/29/49/70/567294970.db2.gz UQWSRHKJWFCPRQ-UHFFFAOYSA-N -1 3 379.638 3.168 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCc1ncc(-c2ccccc2)cn1 ZINC000500059801 567296286 /nfs/dbraw/zinc/29/62/86/567296286.db2.gz BEAMFPHEXSGBAW-UHFFFAOYSA-N -1 3 398.260 3.471 10 0 GGAEHM COc1ccc(OC)c([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000591814665 567299164 /nfs/dbraw/zinc/29/91/64/567299164.db2.gz LPJXNRNBRARTEB-SECBINFHSA-N -1 3 375.368 3.161 10 0 GGAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)C1(c2cccc(Br)c2)CC1 ZINC000526960143 567299323 /nfs/dbraw/zinc/29/93/23/567299323.db2.gz QYOOVAKPUHMIND-CQSZACIVSA-N -1 3 376.254 3.116 10 0 GGAEHM Cc1cc(Br)c(CN2CCC[C@@H]2c2nc(=N)n(C)[n-]2)cc1Cl ZINC000660470063 567299286 /nfs/dbraw/zinc/29/92/86/567299286.db2.gz MCIKAGLRBWWTIP-CYBMUJFWSA-N -1 3 384.709 3.289 10 0 GGAEHM Cc1cc(Br)c(CN2CCC[C@H]2c2nc(=N)n(C)[n-]2)cc1Cl ZINC000660470065 567300201 /nfs/dbraw/zinc/30/02/01/567300201.db2.gz MCIKAGLRBWWTIP-ZDUSSCGKSA-N -1 3 384.709 3.289 10 0 GGAEHM O=C(Cc1c[nH]c2cccc(Br)c12)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000526960249 567301640 /nfs/dbraw/zinc/30/16/40/567301640.db2.gz PWXOYFGDALGEKS-CQSZACIVSA-N -1 3 389.253 3.108 10 0 GGAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]CC(C)(C)C2=CCCCC2)s1 ZINC000476194772 567303198 /nfs/dbraw/zinc/30/31/98/567303198.db2.gz PIZJCDUXVCTJLB-UHFFFAOYSA-N -1 3 384.567 3.232 10 0 GGAEHM CC[C@H](NC(=O)N=c1cc(OC)n(C)[n-]1)c1cc(F)cc(Br)c1 ZINC000548273957 567304155 /nfs/dbraw/zinc/30/41/55/567304155.db2.gz MOSSBSWHIRRYHK-LBPRGKRZSA-N -1 3 385.237 3.025 10 0 GGAEHM CC(C)Oc1ccc(Br)cc1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000434360607 567305307 /nfs/dbraw/zinc/30/53/07/567305307.db2.gz RMZGLBLSAASHEZ-UHFFFAOYSA-N -1 3 395.257 3.050 10 0 GGAEHM C[C@H]1C[C@@H]([N-]C(=O)c2c(F)c(F)c(Br)c(F)c2F)c2ncnn21 ZINC000617425679 567308323 /nfs/dbraw/zinc/30/83/23/567308323.db2.gz PVTDHAIPGSFNMC-CRCLSJGQSA-N -1 3 393.138 3.033 10 0 GGAEHM C[C@@H]1C[C@H]([N-]C(=O)c2c(F)c(F)c(Br)c(F)c2F)c2ncnn21 ZINC000617425681 567308432 /nfs/dbraw/zinc/30/84/32/567308432.db2.gz PVTDHAIPGSFNMC-UHNVWZDZSA-N -1 3 393.138 3.033 10 0 GGAEHM COc1cc(=NC(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)[n-]n1C ZINC000527057169 567309081 /nfs/dbraw/zinc/30/90/81/567309081.db2.gz CBRMMCMTLMFWDO-SNVBAGLBSA-N -1 3 387.267 3.089 10 0 GGAEHM COc1cc(=NC(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)[n-]n1C ZINC000527057168 567309893 /nfs/dbraw/zinc/30/98/93/567309893.db2.gz CBRMMCMTLMFWDO-JTQLQIEISA-N -1 3 387.267 3.089 10 0 GGAEHM Cn1nc(-c2ccncc2)cc1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000548405566 567313467 /nfs/dbraw/zinc/31/34/67/567313467.db2.gz SUHDAGVLBLNAGR-UHFFFAOYSA-N -1 3 387.237 3.131 10 0 GGAEHM Cc1cc(=NC(=O)Cc2ccc(Br)cc2[O-])[nH]n1[C@@H](C)C1CC1 ZINC000548406539 567313924 /nfs/dbraw/zinc/31/39/24/567313924.db2.gz CKJMZULJSMKYHF-NSHDSACASA-N -1 3 378.270 3.234 10 0 GGAEHM Cn1cc([C@H](NC(=O)Cc2ccc(Br)cc2[O-])C(C)(C)C)cn1 ZINC000548405453 567314062 /nfs/dbraw/zinc/31/40/62/567314062.db2.gz UMUDBARTYMPZGK-INIZCTEOSA-N -1 3 380.286 3.334 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NC1(c2ccc3c(c2)OCO3)CC1 ZINC000548407018 567314177 /nfs/dbraw/zinc/31/41/77/567314177.db2.gz DXYMAAAFCDQULK-UHFFFAOYSA-N -1 3 390.233 3.231 10 0 GGAEHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cscn1 ZINC000568265297 567316379 /nfs/dbraw/zinc/31/63/79/567316379.db2.gz SXVIDZSYXMAOGP-GHMZBOCLSA-N -1 3 390.914 3.250 10 0 GGAEHM O=S(=O)([N-][C@H]1C[C@@H]1c1cccc(F)c1)c1ccc(Br)s1 ZINC000568307912 567317942 /nfs/dbraw/zinc/31/79/42/567317942.db2.gz DWUYHUDDGHHCDC-MNOVXSKESA-N -1 3 376.272 3.484 10 0 GGAEHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCCC23CCC3)cc(C(F)(F)F)c1 ZINC000527184064 567319298 /nfs/dbraw/zinc/31/92/98/567319298.db2.gz DJRTVHCCRDOYRL-UHFFFAOYSA-N -1 3 376.400 3.236 10 0 GGAEHM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500429485 567320369 /nfs/dbraw/zinc/32/03/69/567320369.db2.gz SJCYOUGXCSZYCK-UHFFFAOYSA-N -1 3 388.898 3.084 10 0 GGAEHM COc1cc(=NC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)[n-]n1C ZINC000548493676 567320311 /nfs/dbraw/zinc/32/03/11/567320311.db2.gz WRHSDLOWBWGUBB-UHFFFAOYSA-N -1 3 393.658 3.011 10 0 GGAEHM COC(=O)CCCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000500448905 567322735 /nfs/dbraw/zinc/32/27/35/567322735.db2.gz WWMKFMNSFONNPS-UHFFFAOYSA-N -1 3 388.898 3.085 10 0 GGAEHM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2F)nc1C ZINC000476430166 567323056 /nfs/dbraw/zinc/32/30/56/567323056.db2.gz HVKQDVZCJZENNF-NSHDSACASA-N -1 3 386.470 3.115 10 0 GGAEHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccc(C(F)(F)F)c(Br)c1 ZINC000527286004 567327849 /nfs/dbraw/zinc/32/78/49/567327849.db2.gz RBNRWIHYEFSURB-VIFPVBQESA-N -1 3 388.205 3.389 10 0 GGAEHM CCS(=O)(=O)c1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000527476930 567338037 /nfs/dbraw/zinc/33/80/37/567338037.db2.gz WGRAERKBWBVWGQ-UHFFFAOYSA-N -1 3 375.471 3.331 10 0 GGAEHM CS(=O)(=O)[N-]c1cc(C(=O)N[C@H]2CC23CCCC3)cc(C(F)(F)F)c1 ZINC000527470625 567338504 /nfs/dbraw/zinc/33/85/04/567338504.db2.gz XBPFSISGIDNXCH-ZDUSSCGKSA-N -1 3 376.400 3.139 10 0 GGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000527499480 567339988 /nfs/dbraw/zinc/33/99/88/567339988.db2.gz HADGVJGYGCOVSI-IPYPFGDCSA-N -1 3 376.254 3.188 10 0 GGAEHM C[C@]1(c2ccccc2)CN(C(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000548732979 567344668 /nfs/dbraw/zinc/34/46/68/567344668.db2.gz VEAPTFIUWBWEPT-LJQANCHMSA-N -1 3 390.277 3.471 10 0 GGAEHM Cn1cc(-c2csc(NC(=O)Cc3ccc(Br)cc3[O-])n2)cn1 ZINC000548729159 567344680 /nfs/dbraw/zinc/34/46/80/567344680.db2.gz GQRQDBRFUAUBLF-UHFFFAOYSA-N -1 3 393.266 3.193 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N[C@H]1CCCN(c2ccccc2)C1 ZINC000548729173 567344717 /nfs/dbraw/zinc/34/47/17/567344717.db2.gz MYUGTZYNOPYBTF-INIZCTEOSA-N -1 3 389.293 3.482 10 0 GGAEHM CN(Cc1ccc([S@@](C)=O)cc1)C(=O)Cc1ccc(Br)cc1[O-] ZINC000548732746 567344945 /nfs/dbraw/zinc/34/49/45/567344945.db2.gz DSIUEAAKSBMFFE-HSZRJFAPSA-N -1 3 396.306 3.093 10 0 GGAEHM Cc1ccc(-c2nc(NC(=O)Cc3ccc(Br)cc3[O-])n[nH]2)cc1 ZINC000548732491 567345140 /nfs/dbraw/zinc/34/51/40/567345140.db2.gz OFINTYNEWKTXFM-UHFFFAOYSA-N -1 3 387.237 3.429 10 0 GGAEHM C[C@@]1(c2ccccc2)CN(C(=O)Cc2ccc(Br)cc2[O-])CCO1 ZINC000548732978 567345552 /nfs/dbraw/zinc/34/55/52/567345552.db2.gz VEAPTFIUWBWEPT-IBGZPJMESA-N -1 3 390.277 3.471 10 0 GGAEHM CC(C)C[C@H](NC(=O)Cc1ccc(Br)cc1[O-])C(=O)OC(C)C ZINC000548729276 567345617 /nfs/dbraw/zinc/34/56/17/567345617.db2.gz YBPZQCNBTSYVTH-AWEZNQCLSA-N -1 3 386.286 3.180 10 0 GGAEHM CN1Cc2ccccc2[C@@H](NC(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000548734700 567346242 /nfs/dbraw/zinc/34/62/42/567346242.db2.gz RQNOABCOYDYZNE-INIZCTEOSA-N -1 3 375.266 3.000 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N[C@H]1CCOc2ccc(F)cc21 ZINC000548736526 567347328 /nfs/dbraw/zinc/34/73/28/567347328.db2.gz XZSBPOYYQXUCQP-AWEZNQCLSA-N -1 3 380.213 3.476 10 0 GGAEHM COC(=O)CCc1nnc([N-]C(=O)c2csc(Br)c2C)s1 ZINC000476757970 567348228 /nfs/dbraw/zinc/34/82/28/567348228.db2.gz OEXWTLSMXSNOPG-UHFFFAOYSA-N -1 3 390.284 3.028 10 0 GGAEHM Cc1nc(S(=O)(=O)[N-]C[C@@H](c2ccc(C)cc2)N2CCCC2)sc1C ZINC000435218066 567349645 /nfs/dbraw/zinc/34/96/45/567349645.db2.gz SOKKPBWNGXCIHE-KRWDZBQOSA-N -1 3 379.551 3.184 10 0 GGAEHM COC(=O)C[C@@](C)(NC(=O)c1cccc([O-])c1)c1ccc(Br)cc1 ZINC000476822514 567350588 /nfs/dbraw/zinc/35/05/88/567350588.db2.gz FNKGSKPOSBGTDE-GOSISDBHSA-N -1 3 392.249 3.363 10 0 GGAEHM O=C(N[C@@H]1C[C@H]1C1CC1)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000435229687 567350929 /nfs/dbraw/zinc/35/09/29/567350929.db2.gz KMDPVIHGEMWHJA-LSDHHAIUSA-N -1 3 382.551 3.278 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCSC[C@@H]1c1nccs1 ZINC000500894753 567351271 /nfs/dbraw/zinc/35/12/71/567351271.db2.gz CBAIUUUCTOKQAX-GFCCVEGCSA-N -1 3 399.335 3.470 10 0 GGAEHM CCOc1cccc(C[N-]S(=O)(=O)c2nc(C)c(C)s2)c1OC(F)F ZINC000435223668 567351311 /nfs/dbraw/zinc/35/13/11/567351311.db2.gz BCQYIVBCPJMGGA-UHFFFAOYSA-N -1 3 392.449 3.239 10 0 GGAEHM CC(C)[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1ccccc1F ZINC000617992484 567351400 /nfs/dbraw/zinc/35/14/00/567351400.db2.gz ZRHKKOXPKZULLX-KRWDZBQOSA-N -1 3 384.498 3.069 10 0 GGAEHM CC(C)c1ncc2c(n1)CCN(C(=O)Cc1ccc(Br)cc1[O-])C2 ZINC000527625145 567351752 /nfs/dbraw/zinc/35/17/52/567351752.db2.gz NJFUNEMAQLXCMP-UHFFFAOYSA-N -1 3 390.281 3.196 10 0 GGAEHM CC(C)(C)OC(=O)Cn1cnc([N-]C(=O)c2cc(Cl)c(F)cc2Cl)n1 ZINC000592655497 567354486 /nfs/dbraw/zinc/35/44/86/567354486.db2.gz WNNMUCTTXUMOAP-UHFFFAOYSA-N -1 3 389.214 3.318 10 0 GGAEHM COc1ccc(Br)cc1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F ZINC000548862079 567357336 /nfs/dbraw/zinc/35/73/36/567357336.db2.gz HVXDXDXVXGQFAB-UHFFFAOYSA-N -1 3 390.221 3.325 10 0 GGAEHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1ccccc1Br ZINC000476925499 567358387 /nfs/dbraw/zinc/35/83/87/567358387.db2.gz QCCYUAWIGJZWCS-CQSZACIVSA-N -1 3 382.279 3.478 10 0 GGAEHM CN(C)c1ccc(Br)c(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c1 ZINC000501019637 567358554 /nfs/dbraw/zinc/35/85/54/567358554.db2.gz ALZHDCSTCAISRC-JTQLQIEISA-N -1 3 397.285 3.371 10 0 GGAEHM CO[C@@](C)(c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1)C1CC1 ZINC000568818301 567359365 /nfs/dbraw/zinc/35/93/65/567359365.db2.gz PTBKTQSDEIWZIK-MGPLVRAMSA-N -1 3 385.873 3.034 10 0 GGAEHM COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1OC ZINC000592822013 567366054 /nfs/dbraw/zinc/36/60/54/567366054.db2.gz BGCBYRHFRYDYTD-NSHDSACASA-N -1 3 387.860 3.406 10 0 GGAEHM CCOCCOc1ccc(Br)cc1S(=O)(=O)[N-]C(C)(C)CC ZINC000501139558 567367565 /nfs/dbraw/zinc/36/75/65/567367565.db2.gz BEUVNMJNLUANAV-UHFFFAOYSA-N -1 3 394.331 3.331 10 0 GGAEHM CCOCCOc1ccc(Br)cc1S(=O)(=O)[N-]C(CC)CC ZINC000501145250 567369708 /nfs/dbraw/zinc/36/97/08/567369708.db2.gz TVOXVRVEWBTHBK-UHFFFAOYSA-N -1 3 394.331 3.331 10 0 GGAEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(C)c(I)c1 ZINC000592950693 567373721 /nfs/dbraw/zinc/37/37/21/567373721.db2.gz RJGZZQOTHKWIJQ-UHFFFAOYSA-N -1 3 383.233 3.429 10 0 GGAEHM Cc1csc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)c1I ZINC000592950338 567373858 /nfs/dbraw/zinc/37/38/58/567373858.db2.gz SRTIORKQJXWIKR-UHFFFAOYSA-N -1 3 389.262 3.490 10 0 GGAEHM O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000501245985 567374865 /nfs/dbraw/zinc/37/48/65/567374865.db2.gz GAPFTZCLICTZNT-AWEZNQCLSA-N -1 3 375.211 3.294 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCOC[C@H]1c1ccc(F)cc1 ZINC000456452738 567375056 /nfs/dbraw/zinc/37/50/56/567375056.db2.gz BXJDSTIJXLDNHY-INIZCTEOSA-N -1 3 394.240 3.436 10 0 GGAEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000527795470 567375160 /nfs/dbraw/zinc/37/51/60/567375160.db2.gz HCNVRRRZIHVDNW-JCURWCKSSA-N -1 3 376.865 3.236 10 0 GGAEHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000527795474 567375806 /nfs/dbraw/zinc/37/58/06/567375806.db2.gz HCNVRRRZIHVDNW-OAUYIBNBSA-N -1 3 376.865 3.236 10 0 GGAEHM COc1ccc(CNC[C@H]2c3ccccc3C(=O)N2C)c(Br)c1[O-] ZINC000527811468 567376440 /nfs/dbraw/zinc/37/64/40/567376440.db2.gz ZVPYWHOQOJQDAI-AWEZNQCLSA-N -1 3 391.265 3.080 10 0 GGAEHM COc1ccc(OC)c(CNC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000477200756 567380060 /nfs/dbraw/zinc/38/00/60/567380060.db2.gz YBWBETXRPDCPJM-UHFFFAOYSA-N -1 3 380.238 3.031 10 0 GGAEHM COc1ccc(CNC(=O)Cc2ccc(Br)cc2[O-])c(OC)c1 ZINC000477193858 567380222 /nfs/dbraw/zinc/38/02/22/567380222.db2.gz QSRQWGAIWUBJQE-UHFFFAOYSA-N -1 3 380.238 3.031 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCc1ccc(N2CCCC2)nc1 ZINC000477206591 567380757 /nfs/dbraw/zinc/38/07/57/567380757.db2.gz GMGGWBFNKMNXOU-UHFFFAOYSA-N -1 3 390.281 3.009 10 0 GGAEHM CCOC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1 ZINC000435632737 567382115 /nfs/dbraw/zinc/38/21/15/567382115.db2.gz RQZPNMOILHRKBQ-MNOVXSKESA-N -1 3 380.293 3.312 10 0 GGAEHM C[C@H](NC(=O)Cc1ccc(Br)cc1[O-])c1ccc(NC(N)=O)cc1 ZINC000477266444 567384149 /nfs/dbraw/zinc/38/41/49/567384149.db2.gz VVIUBQFPXWCECF-JTQLQIEISA-N -1 3 392.253 3.065 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NC[C@H]1CCN(c2ccccc2)C1 ZINC000477276923 567385651 /nfs/dbraw/zinc/38/56/51/567385651.db2.gz BVOXOZPZQRONNF-CQSZACIVSA-N -1 3 389.293 3.340 10 0 GGAEHM CC(C)Oc1ccc(CNC(=O)Cc2ccc(Br)cc2[O-])cn1 ZINC000477281707 567385706 /nfs/dbraw/zinc/38/57/06/567385706.db2.gz VVWZYPIIKQLHBL-UHFFFAOYSA-N -1 3 379.254 3.196 10 0 GGAEHM CCNC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000477281066 567385808 /nfs/dbraw/zinc/38/58/08/567385808.db2.gz SSXJATZUFBMFFT-UHFFFAOYSA-N -1 3 377.238 3.086 10 0 GGAEHM Cc1nc(-c2cccc(NC(=O)Cc3ccc(Br)cc3[O-])c2)n[nH]1 ZINC000477285076 567385838 /nfs/dbraw/zinc/38/58/38/567385838.db2.gz XGPFWHXHMSEZJK-UHFFFAOYSA-N -1 3 387.237 3.429 10 0 GGAEHM CC(=O)N1CCc2cc(NC(=O)Cc3ccc(Br)cc3[O-])ccc21 ZINC000477290101 567386540 /nfs/dbraw/zinc/38/65/40/567386540.db2.gz GXDSIHCMOMOSJA-UHFFFAOYSA-N -1 3 389.249 3.245 10 0 GGAEHM COc1ccc(OCCN(C)C(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000477297941 567386685 /nfs/dbraw/zinc/38/66/85/567386685.db2.gz PAMLEUDIPGFNES-UHFFFAOYSA-N -1 3 394.265 3.243 10 0 GGAEHM COc1ccc(CCNC(=O)Cc2ccc(Br)cc2[O-])cc1OC ZINC000477306008 567387187 /nfs/dbraw/zinc/38/71/87/567387187.db2.gz UVCQAOHQJPODTH-UHFFFAOYSA-N -1 3 394.265 3.073 10 0 GGAEHM C[C@H](CNC(=O)Cc1ccc(Br)cc1[O-])Oc1ccccc1F ZINC000477356192 567389550 /nfs/dbraw/zinc/38/95/50/567389550.db2.gz XSVQVCHXUDYJTB-LLVKDONJSA-N -1 3 382.229 3.420 10 0 GGAEHM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)c(F)c2)s1 ZINC000618450782 567390404 /nfs/dbraw/zinc/39/04/04/567390404.db2.gz AFVMDLRKXMQRLP-UWVGGRQHSA-N -1 3 388.461 3.263 10 0 GGAEHM C[S@@](=O)Cc1cccc(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000477376948 567390725 /nfs/dbraw/zinc/39/07/25/567390725.db2.gz LUODKCVTYYDMDE-JOCHJYFZSA-N -1 3 382.279 3.214 10 0 GGAEHM C[C@H](CNC(=O)Cc1ccc(Br)cc1[O-])Oc1cccc(F)c1 ZINC000477363969 567390806 /nfs/dbraw/zinc/39/08/06/567390806.db2.gz GABJGHNLWLWJCI-LLVKDONJSA-N -1 3 382.229 3.420 10 0 GGAEHM CC1(C)COC[C@H]1NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000456554038 567390981 /nfs/dbraw/zinc/39/09/81/567390981.db2.gz VIMQKVQTCUYYPL-GFCCVEGCSA-N -1 3 399.672 3.099 10 0 GGAEHM CC1(C)COC[C@H]1NC(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000456554038 567390983 /nfs/dbraw/zinc/39/09/83/567390983.db2.gz VIMQKVQTCUYYPL-GFCCVEGCSA-N -1 3 399.672 3.099 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])Nc1cnn(CC(F)(F)F)c1 ZINC000477386816 567392996 /nfs/dbraw/zinc/39/29/96/567392996.db2.gz XAJAOVDPZVBZBH-UHFFFAOYSA-N -1 3 378.148 3.095 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCO[C@H](c2cccc(O)c2)C1 ZINC000477421453 567393532 /nfs/dbraw/zinc/39/35/32/567393532.db2.gz IRIWUFXRBWRGBC-KRWDZBQOSA-N -1 3 392.249 3.003 10 0 GGAEHM CN(CCOCc1ccccc1)C(=O)Cc1ccc(Br)cc1[O-] ZINC000477424654 567393840 /nfs/dbraw/zinc/39/38/40/567393840.db2.gz LNCZWQPHDXDFIT-UHFFFAOYSA-N -1 3 378.266 3.372 10 0 GGAEHM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000477418485 567394056 /nfs/dbraw/zinc/39/40/56/567394056.db2.gz IVSYTGXYOJHIPJ-MWLCHTKSSA-N -1 3 382.379 3.000 10 0 GGAEHM Cn1[n-]c([C@@H]2CCCN2Cc2cccc3c(Br)cccc23)nc1=N ZINC000569315722 567395163 /nfs/dbraw/zinc/39/51/63/567395163.db2.gz GQCXFROVQDWVLU-INIZCTEOSA-N -1 3 386.297 3.480 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N[C@@H](CCCO)c1ccccc1 ZINC000477441554 567395372 /nfs/dbraw/zinc/39/53/72/567395372.db2.gz DSHWIABLWFWAFK-INIZCTEOSA-N -1 3 378.266 3.327 10 0 GGAEHM O=S(=O)(Cc1ccc(Cl)cc1Cl)[N-][C@H](CO)c1cccc(F)c1 ZINC000501538615 567395932 /nfs/dbraw/zinc/39/59/32/567395932.db2.gz RWEVZSVYAMEGSP-OAHLLOKOSA-N -1 3 378.252 3.286 10 0 GGAEHM CC1(C)Cc2cc(S(=O)(=O)[N-][C@H](c3nccs3)C(F)(F)F)ccc2O1 ZINC000549524329 567396095 /nfs/dbraw/zinc/39/60/95/567396095.db2.gz HOSTYIWPROBNLM-GFCCVEGCSA-N -1 3 392.424 3.439 10 0 GGAEHM O=C(Cc1cncc([O-])c1)NCC1(Cc2ccc(Br)cc2)CC1 ZINC000618538453 567397870 /nfs/dbraw/zinc/39/78/70/567397870.db2.gz LGQFAGYRFIBCMR-UHFFFAOYSA-N -1 3 375.266 3.231 10 0 GGAEHM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2F)cn1C ZINC000593216625 567399763 /nfs/dbraw/zinc/39/97/63/567399763.db2.gz AAOPFJSPGTVCAH-UHFFFAOYSA-N -1 3 376.356 3.079 10 0 GGAEHM Cn1ncc(C2CCC2)c1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000661918922 567400863 /nfs/dbraw/zinc/40/08/63/567400863.db2.gz CIKXJIJVITULBD-UHFFFAOYSA-N -1 3 393.285 3.155 10 0 GGAEHM O=C(NCCCC1CCC1)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000618617115 567402286 /nfs/dbraw/zinc/40/22/86/567402286.db2.gz RCLLKMWOJBGCMA-UHFFFAOYSA-N -1 3 382.507 3.130 10 0 GGAEHM COc1ccc(NC(C)=O)c(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000477603167 567403416 /nfs/dbraw/zinc/40/34/16/567403416.db2.gz AMVAVOKQNCNFFU-UHFFFAOYSA-N -1 3 393.237 3.303 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])N1CCO[C@@H](c2ccccc2F)C1 ZINC000477617475 567405133 /nfs/dbraw/zinc/40/51/33/567405133.db2.gz RKMJUTVBLLAADY-QGZVFWFLSA-N -1 3 394.240 3.436 10 0 GGAEHM C[C@@H]1Cc2ccccc2N1CCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000477622333 567405155 /nfs/dbraw/zinc/40/51/55/567405155.db2.gz QGBNVDWDDOTUPC-CYBMUJFWSA-N -1 3 389.293 3.265 10 0 GGAEHM O=C(Cc1ccc(Br)cc1[O-])NCCCOc1ccc(F)cc1 ZINC000477615644 567405244 /nfs/dbraw/zinc/40/52/44/567405244.db2.gz KAUFIAFJBINQEQ-UHFFFAOYSA-N -1 3 382.229 3.422 10 0 GGAEHM CC(C)[C@H](NC(=O)Cc1ccc(Br)cc1[O-])c1nc(C2CC2)no1 ZINC000477625779 567406764 /nfs/dbraw/zinc/40/67/64/567406764.db2.gz KHMIBPVACTYBDI-HNNXBMFYSA-N -1 3 394.269 3.471 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CCc1cccs1 ZINC000528292107 567408255 /nfs/dbraw/zinc/40/82/55/567408255.db2.gz LGFGGZKFIXJIIL-UHFFFAOYSA-N -1 3 381.397 3.176 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]Cc1ccc(C)s1 ZINC000528304496 567408518 /nfs/dbraw/zinc/40/85/18/567408518.db2.gz SWJQJSHVMQRDST-UHFFFAOYSA-N -1 3 381.397 3.442 10 0 GGAEHM CC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2)c1nccs1 ZINC000528330201 567410403 /nfs/dbraw/zinc/41/04/03/567410403.db2.gz VGLMASOMTUBHNL-CYBMUJFWSA-N -1 3 399.925 3.135 10 0 GGAEHM CCOCCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(C)(C)C ZINC000501869353 567410524 /nfs/dbraw/zinc/41/05/24/567410524.db2.gz HTCLZPXSYOBVJU-UHFFFAOYSA-N -1 3 394.331 3.189 10 0 GGAEHM CCc1nc(C[N-]S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)cs1 ZINC000528323622 567410794 /nfs/dbraw/zinc/41/07/94/567410794.db2.gz GBTFFPBJAIHTDZ-UHFFFAOYSA-N -1 3 396.412 3.091 10 0 GGAEHM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000528329497 567411031 /nfs/dbraw/zinc/41/10/31/567411031.db2.gz UOUUPEWKRCXRNW-GFCCVEGCSA-N -1 3 397.313 3.168 10 0 GGAEHM CC[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2)c1nccs1 ZINC000528330203 567411422 /nfs/dbraw/zinc/41/14/22/567411422.db2.gz VGLMASOMTUBHNL-ZDUSSCGKSA-N -1 3 399.925 3.135 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000528335598 567412334 /nfs/dbraw/zinc/41/23/34/567412334.db2.gz NULULGZRKNWQHO-UHFFFAOYSA-N -1 3 379.400 3.308 10 0 GGAEHM COc1ccc(C(=O)N2CCOC[C@H]2c2cccc(Br)c2)c([O-])c1 ZINC000618777817 567415720 /nfs/dbraw/zinc/41/57/20/567415720.db2.gz VJSRXDQVCCGLCB-INIZCTEOSA-N -1 3 392.249 3.377 10 0 GGAEHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C2CC(C(C)(C)C)C2)c1OC ZINC000549901279 567416565 /nfs/dbraw/zinc/41/65/65/567416565.db2.gz WYVJIFDLBRRZOF-UHFFFAOYSA-N -1 3 389.901 3.238 10 0 GGAEHM CC(C)CCc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)nc1 ZINC000456787625 567417624 /nfs/dbraw/zinc/41/76/24/567417624.db2.gz QOFCXEKQRUCZDW-CYBMUJFWSA-N -1 3 381.523 3.037 10 0 GGAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc2c(c1)C=CCCC2 ZINC000618850497 567417864 /nfs/dbraw/zinc/41/78/64/567417864.db2.gz FBUHOFGPTFZLCQ-UHFFFAOYSA-N -1 3 376.503 3.405 10 0 GGAEHM CO[C@@H](C(=O)Nc1cc(I)ccc1[O-])c1ccc(O)cc1 ZINC000618855874 567418343 /nfs/dbraw/zinc/41/83/43/567418343.db2.gz PVQAQRVKBUXRLV-CQSZACIVSA-N -1 3 399.184 3.029 10 0 GGAEHM CCCc1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000502092735 567418870 /nfs/dbraw/zinc/41/88/70/567418870.db2.gz NUNBWHUUPGTNGM-UHFFFAOYSA-N -1 3 386.926 3.062 10 0 GGAEHM CCC(CC)(C[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F)OC ZINC000528402112 567419905 /nfs/dbraw/zinc/41/99/05/567419905.db2.gz CXWGKNWOMIUPKI-UHFFFAOYSA-N -1 3 385.404 3.077 10 0 GGAEHM COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-]Cc1cc(C)cs1 ZINC000528408161 567420418 /nfs/dbraw/zinc/42/04/18/567420418.db2.gz GBYRTUZZVWPZHR-UHFFFAOYSA-N -1 3 381.397 3.442 10 0 GGAEHM O=C(N=c1ccn(C2CCOCC2)[nH]1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000618906962 567423327 /nfs/dbraw/zinc/42/33/27/567423327.db2.gz LZJQFQVHXDSLFT-UHFFFAOYSA-N -1 3 377.857 3.014 10 0 GGAEHM O=S(=O)([N-]CC[C@@H]1CCCOC1)c1ccc(Br)cc1Cl ZINC000528445397 567423406 /nfs/dbraw/zinc/42/34/06/567423406.db2.gz MCXDWQCTFNRWDL-JTQLQIEISA-N -1 3 382.707 3.198 10 0 GGAEHM O=S(=O)([N-]CC[C@@H]1CCCOC1)c1cc(Cl)ccc1OC(F)(F)F ZINC000528446998 567423485 /nfs/dbraw/zinc/42/34/85/567423485.db2.gz CICXQNSJSWMEME-JTQLQIEISA-N -1 3 387.807 3.334 10 0 GGAEHM COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2ccco2)c2ccccc2)c1 ZINC000502207634 567424085 /nfs/dbraw/zinc/42/40/85/567424085.db2.gz LJBIAIGUCAURBB-MRXNPFEDSA-N -1 3 377.443 3.196 10 0 GGAEHM Cc1c(Br)ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1F ZINC000436431706 567424196 /nfs/dbraw/zinc/42/41/96/567424196.db2.gz MMPMIAPAIYPJQR-UHFFFAOYSA-N -1 3 376.189 3.329 10 0 GGAEHM Cc1c(Br)ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1F ZINC000436431706 567424201 /nfs/dbraw/zinc/42/42/01/567424201.db2.gz MMPMIAPAIYPJQR-UHFFFAOYSA-N -1 3 376.189 3.329 10 0 GGAEHM Cc1c(Br)ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1F ZINC000436431706 567424207 /nfs/dbraw/zinc/42/42/07/567424207.db2.gz MMPMIAPAIYPJQR-UHFFFAOYSA-N -1 3 376.189 3.329 10 0 GGAEHM CC(C)(C)c1ccc(S(=O)(=O)[N-]C[C@H](n2cccn2)C(F)(F)F)s1 ZINC000528453246 567424951 /nfs/dbraw/zinc/42/49/51/567424951.db2.gz SASIAMLCUIQPPJ-JTQLQIEISA-N -1 3 381.445 3.324 10 0 GGAEHM COc1ccc(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)c([O-])c1 ZINC000436486695 567428214 /nfs/dbraw/zinc/42/82/14/567428214.db2.gz NQLYVGBXVDOOHJ-CQSZACIVSA-N -1 3 378.222 3.417 10 0 GGAEHM CCC([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)(C1CC1)C1CC1 ZINC000528487159 567428887 /nfs/dbraw/zinc/42/88/87/567428887.db2.gz GQIUZEWEXFZHQR-UHFFFAOYSA-N -1 3 382.913 3.472 10 0 GGAEHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccnc(C)c1Br ZINC000569761337 567430371 /nfs/dbraw/zinc/43/03/71/567430371.db2.gz SQDNLPFUXLLZCT-UHFFFAOYSA-N -1 3 391.674 3.037 10 0 GGAEHM O=S(=O)([N-][C@H](c1ccccn1)C1CCC1)c1ccc(Br)cn1 ZINC000528499411 567430679 /nfs/dbraw/zinc/43/06/79/567430679.db2.gz KEBMYWYZILPXKE-HNNXBMFYSA-N -1 3 382.283 3.059 10 0 GGAEHM CS[C@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H]1N1CCCC1 ZINC000436530774 567431390 /nfs/dbraw/zinc/43/13/90/567431390.db2.gz FXQWKPKLHNEPQM-OCCSQVGLSA-N -1 3 375.321 3.351 10 0 GGAEHM CS[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@@H]1N1CCCC1 ZINC000436530771 567431866 /nfs/dbraw/zinc/43/18/66/567431866.db2.gz FXQWKPKLHNEPQM-GXTWGEPZSA-N -1 3 375.321 3.351 10 0 GGAEHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)o2)c(OC)c1 ZINC000528507013 567432561 /nfs/dbraw/zinc/43/25/61/567432561.db2.gz MPUUYEDOSQAFMV-VIFPVBQESA-N -1 3 390.255 3.099 10 0 GGAEHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccsc2)c1 ZINC000528544333 567435530 /nfs/dbraw/zinc/43/55/30/567435530.db2.gz DETPLTHVKUFBEC-WCQYABFASA-N -1 3 388.308 3.354 10 0 GGAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000528555475 567436889 /nfs/dbraw/zinc/43/68/89/567436889.db2.gz QNUDDNVYPRPXCQ-VXFNFUGZSA-N -1 3 382.707 3.193 10 0 GGAEHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCN2C2CCCC2)s1 ZINC000528554352 567437034 /nfs/dbraw/zinc/43/70/34/567437034.db2.gz UAHAJSCEQWWKLM-LBPRGKRZSA-N -1 3 393.372 3.114 10 0 GGAEHM CCOC(=O)c1sc2ccsc2c1CNC(=O)c1ccc(O)cc1[O-] ZINC000436628750 567439053 /nfs/dbraw/zinc/43/90/53/567439053.db2.gz HLDJWHVZWCZUPO-UHFFFAOYSA-N -1 3 377.443 3.481 10 0 GGAEHM CCOC(=O)c1sc2ccsc2c1CNC(=O)c1c([O-])cccc1O ZINC000436645451 567440820 /nfs/dbraw/zinc/44/08/20/567440820.db2.gz AZVFRAHCSQABPD-UHFFFAOYSA-N -1 3 377.443 3.481 10 0 GGAEHM Cc1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)n1 ZINC000569879279 567440826 /nfs/dbraw/zinc/44/08/26/567440826.db2.gz NHJJCGFAMWTIHN-UHFFFAOYSA-N -1 3 375.675 3.284 10 0 GGAEHM CC(C)n1ncc2c1C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)CC2 ZINC000528632973 567442982 /nfs/dbraw/zinc/44/29/82/567442982.db2.gz IAQSRYYNNBZVTE-AWEZNQCLSA-N -1 3 378.270 3.219 10 0 GGAEHM Cc1cc([C@H]2CCN(C(=O)c3csc(=NC4CC4)[n-]3)C2)c(O)cc1Cl ZINC000619373819 567448800 /nfs/dbraw/zinc/44/88/00/567448800.db2.gz FNLVGZILLGFMPG-NSHDSACASA-N -1 3 377.897 3.436 10 0 GGAEHM CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000457236694 567449527 /nfs/dbraw/zinc/44/95/27/567449527.db2.gz PKDJJOKONSTLMD-SFHVURJKSA-N -1 3 398.297 3.278 10 0 GGAEHM C[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)c(F)c1 ZINC000570006346 567451162 /nfs/dbraw/zinc/45/11/62/567451162.db2.gz QSZNYYNPGJJFCI-JTQLQIEISA-N -1 3 392.830 3.386 10 0 GGAEHM COc1cccc(-c2nc(C(=O)Nc3cc(Br)ccc3[O-])no2)c1 ZINC000436803022 567452127 /nfs/dbraw/zinc/45/21/27/567452127.db2.gz LSTJPPJSJOTZCG-UHFFFAOYSA-N -1 3 390.193 3.466 10 0 GGAEHM COC(=O)c1cccc([N-]C(=O)c2c(F)ccc(Br)c2F)c1O ZINC000436789274 567452156 /nfs/dbraw/zinc/45/21/56/567452156.db2.gz BCZOESVGEULZGW-UHFFFAOYSA-N -1 3 386.148 3.472 10 0 GGAEHM CCOC(=O)c1ncc(NC(=O)C[C@H](C)c2ccc(Br)cc2)[n-]1 ZINC000619446265 567452437 /nfs/dbraw/zinc/45/24/37/567452437.db2.gz BZPRWQRPTVZJME-JTQLQIEISA-N -1 3 380.242 3.481 10 0 GGAEHM CCOC(=O)c1nc(NC(=O)C[C@H](C)c2ccc(Br)cc2)c[n-]1 ZINC000619446265 567452444 /nfs/dbraw/zinc/45/24/44/567452444.db2.gz BZPRWQRPTVZJME-JTQLQIEISA-N -1 3 380.242 3.481 10 0 GGAEHM O=C(Nc1cc(I)ccc1[O-])[C@H]1Cc2ccc(F)cc21 ZINC000619441185 567453051 /nfs/dbraw/zinc/45/30/51/567453051.db2.gz KGDAWVMGTDWEAA-LBPRGKRZSA-N -1 3 383.160 3.414 10 0 GGAEHM CCOC(=O)c1ncc(NC(=O)C[C@@H](C)c2ccc(Br)cc2)[n-]1 ZINC000619446266 567453077 /nfs/dbraw/zinc/45/30/77/567453077.db2.gz BZPRWQRPTVZJME-SNVBAGLBSA-N -1 3 380.242 3.481 10 0 GGAEHM CCOC(=O)c1nc(NC(=O)C[C@@H](C)c2ccc(Br)cc2)c[n-]1 ZINC000619446266 567453080 /nfs/dbraw/zinc/45/30/80/567453080.db2.gz BZPRWQRPTVZJME-SNVBAGLBSA-N -1 3 380.242 3.481 10 0 GGAEHM C[C@@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000594030827 567453599 /nfs/dbraw/zinc/45/35/99/567453599.db2.gz SFEVGRUNKPHOIF-TXEJJXNPSA-N -1 3 382.423 3.386 10 0 GGAEHM C[C@H]1CCC[C@H](C)N1CC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000594030831 567454043 /nfs/dbraw/zinc/45/40/43/567454043.db2.gz SKLDBJDKARFHCU-RYUDHWBXSA-N -1 3 393.322 3.129 10 0 GGAEHM CCOC(=O)c1cc(NC(=O)Cc2ccc(Br)cc2[O-])ccc1O ZINC000436813736 567454157 /nfs/dbraw/zinc/45/41/57/567454157.db2.gz WMGJJEHNZOHPBH-UHFFFAOYSA-N -1 3 394.221 3.218 10 0 GGAEHM COCCN(Cc1ccc(Br)s1)C(=O)c1ccc(O)cc1[O-] ZINC000436810264 567454840 /nfs/dbraw/zinc/45/48/40/567454840.db2.gz WYBKPGKHTOBULK-UHFFFAOYSA-N -1 3 386.267 3.211 10 0 GGAEHM CCOc1cc(/C=C\c2ncncc2C(=O)OC)cc(Br)c1[O-] ZINC000436814137 567454927 /nfs/dbraw/zinc/45/49/27/567454927.db2.gz GZAYJTQBBQQYMQ-PLNGDYQASA-N -1 3 379.210 3.300 10 0 GGAEHM O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1cc([O-])cc(Br)c1 ZINC000528814847 567459616 /nfs/dbraw/zinc/45/96/16/567459616.db2.gz FTKUFXHBXVLOLR-LBPRGKRZSA-N -1 3 396.672 3.212 10 0 GGAEHM O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1cc([O-])cc(Br)c1 ZINC000528814838 567460242 /nfs/dbraw/zinc/46/02/42/567460242.db2.gz FTKUFXHBXVLOLR-GFCCVEGCSA-N -1 3 396.672 3.212 10 0 GGAEHM CC(C)COCCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551083454 567476528 /nfs/dbraw/zinc/47/65/28/567476528.db2.gz XRNUTZIODWIRHS-UHFFFAOYSA-N -1 3 384.723 3.444 10 0 GGAEHM CC(C)(C)C1CC(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)C1 ZINC000457395405 567463604 /nfs/dbraw/zinc/46/36/04/567463604.db2.gz FTQKJCGSVCSCHW-UHFFFAOYSA-N -1 3 384.567 3.090 10 0 GGAEHM O=C(NCc1ccc(I)cc1Cl)c1csc(=O)[n-]1 ZINC000478520129 567464250 /nfs/dbraw/zinc/46/42/50/567464250.db2.gz ICJHJUZQUPAUGM-UHFFFAOYSA-N -1 3 394.621 3.037 10 0 GGAEHM Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])nn1C1CCOCC1 ZINC000528904296 567466970 /nfs/dbraw/zinc/46/69/70/567466970.db2.gz PYODPXDANYKINV-UHFFFAOYSA-N -1 3 380.242 3.263 10 0 GGAEHM COc1cnccc1N1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000436920809 567467034 /nfs/dbraw/zinc/46/70/34/567467034.db2.gz AQUOADJLWWGDLL-UHFFFAOYSA-N -1 3 382.247 3.065 10 0 GGAEHM O=C(Cc1c(F)ccc(Br)c1F)Nc1nnc(-c2ccccn2)[n-]1 ZINC000503159958 567470973 /nfs/dbraw/zinc/47/09/73/567470973.db2.gz SAZUBLYSZYKKCO-UHFFFAOYSA-N -1 3 394.179 3.089 10 0 GGAEHM O=C(Cc1c(F)ccc(Br)c1F)Nc1nc(-c2ccccn2)n[n-]1 ZINC000503159958 567470975 /nfs/dbraw/zinc/47/09/75/567470975.db2.gz SAZUBLYSZYKKCO-UHFFFAOYSA-N -1 3 394.179 3.089 10 0 GGAEHM O=C(Cc1c(F)ccc(Br)c1F)Nc1n[n-]c(-c2ccccn2)n1 ZINC000503159958 567470979 /nfs/dbraw/zinc/47/09/79/567470979.db2.gz SAZUBLYSZYKKCO-UHFFFAOYSA-N -1 3 394.179 3.089 10 0 GGAEHM CC(C)OC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1[O-])C(C)C ZINC000594409832 567474495 /nfs/dbraw/zinc/47/44/95/567474495.db2.gz WKPIMFSJIGSBBD-AWEZNQCLSA-N -1 3 386.286 3.180 10 0 GGAEHM O=C(Nc1ccc(Br)cc1[O-])[C@H]1CCCN1C(=O)c1ccccc1 ZINC000642323637 567474870 /nfs/dbraw/zinc/47/48/70/567474870.db2.gz XSMIPJRTOXYPQE-OAHLLOKOSA-N -1 3 389.249 3.398 10 0 GGAEHM CC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)c1ccccc1F ZINC000594471078 567478735 /nfs/dbraw/zinc/47/87/35/567478735.db2.gz DVMWSHYIUMOXAT-GFCCVEGCSA-N -1 3 387.454 3.112 10 0 GGAEHM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000503322778 567479705 /nfs/dbraw/zinc/47/97/05/567479705.db2.gz OPMPQLKWMHLBNE-SECBINFHSA-N -1 3 377.217 3.221 10 0 GGAEHM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000503322778 567479710 /nfs/dbraw/zinc/47/97/10/567479710.db2.gz OPMPQLKWMHLBNE-SECBINFHSA-N -1 3 377.217 3.221 10 0 GGAEHM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000503322778 567479714 /nfs/dbraw/zinc/47/97/14/567479714.db2.gz OPMPQLKWMHLBNE-SECBINFHSA-N -1 3 377.217 3.221 10 0 GGAEHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](C)C1CCC(F)(F)CC1 ZINC000594485915 567479992 /nfs/dbraw/zinc/47/99/92/567479992.db2.gz CRISDFRCJOLMKP-SNVBAGLBSA-N -1 3 379.425 3.121 10 0 GGAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)C1CCC(F)(F)CC1 ZINC000594486768 567480425 /nfs/dbraw/zinc/48/04/25/567480425.db2.gz IFGDXFKWYDCBAE-JTQLQIEISA-N -1 3 381.466 3.335 10 0 GGAEHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)C1CCC(F)(F)CC1 ZINC000594486814 567480758 /nfs/dbraw/zinc/48/07/58/567480758.db2.gz IYPHCAHARDEYTB-SNVBAGLBSA-N -1 3 379.400 3.105 10 0 GGAEHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)C1CCC(F)(F)CC1 ZINC000594485874 567480848 /nfs/dbraw/zinc/48/08/48/567480848.db2.gz CFQQNJXOTIZPSA-ONGXEEELSA-N -1 3 395.390 3.004 10 0 GGAEHM Cc1nc2c(cccc2C(=O)Nc2cc(I)ccc2[O-])[nH]1 ZINC000619808455 567481661 /nfs/dbraw/zinc/48/16/61/567481661.db2.gz JJOCOBHXRVHLFW-UHFFFAOYSA-N -1 3 393.184 3.434 10 0 GGAEHM Cc1nc2cccc(C(=O)Nc3cc(I)ccc3[O-])c2[nH]1 ZINC000619808455 567481666 /nfs/dbraw/zinc/48/16/66/567481666.db2.gz JJOCOBHXRVHLFW-UHFFFAOYSA-N -1 3 393.184 3.434 10 0 GGAEHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)C2CCC(F)(F)CC2)s1 ZINC000594488932 567481861 /nfs/dbraw/zinc/48/18/61/567481861.db2.gz WXUNOTGPJWPPHH-VIFPVBQESA-N -1 3 397.465 3.036 10 0 GGAEHM Cc1ccsc1-c1nc(=NC(=O)NC[C@H]2CCN2C2CCCC2)s[n-]1 ZINC000529063113 567482374 /nfs/dbraw/zinc/48/23/74/567482374.db2.gz IKLDEBYZCUZVEG-CYBMUJFWSA-N -1 3 377.539 3.135 10 0 GGAEHM C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)OC(C)(C)C ZINC000551161240 567482918 /nfs/dbraw/zinc/48/29/18/567482918.db2.gz PFXJZRUILVBRBM-MRVPVSSYSA-N -1 3 398.706 3.111 10 0 GGAEHM CCCn1c(=O)[n-]nc1S(=O)(=O)Cc1nc(-c2ccccc2Cl)cs1 ZINC000478818478 567486240 /nfs/dbraw/zinc/48/62/40/567486240.db2.gz DHQNEIWWWPGFBN-UHFFFAOYSA-N -1 3 398.897 3.145 10 0 GGAEHM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CC1 ZINC000570456412 567486706 /nfs/dbraw/zinc/48/67/06/567486706.db2.gz WIFFVVISNRLOLQ-CYBMUJFWSA-N -1 3 396.734 3.178 10 0 GGAEHM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1Cl)c1cnc2n1CCC2 ZINC000663271991 567490599 /nfs/dbraw/zinc/49/05/99/567490599.db2.gz RMSSFJNUVIZAKH-UHFFFAOYSA-N -1 3 381.763 3.182 10 0 GGAEHM CC(C)(CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1=CCCCC1 ZINC000478919306 567491324 /nfs/dbraw/zinc/49/13/24/567491324.db2.gz LPMKPXHAZSTWMT-UHFFFAOYSA-N -1 3 390.958 3.323 10 0 GGAEHM CCOC(=O)c1cc([N-]C(=O)c2cc(S(C)(=O)=O)cs2)c(F)cc1C ZINC000551343964 567499416 /nfs/dbraw/zinc/49/94/16/567499416.db2.gz JHLLOLDQIQCHJZ-UHFFFAOYSA-N -1 3 385.438 3.028 10 0 GGAEHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC3(CO)CC4(CCC4)C3)s2)cs1 ZINC000570627435 567501068 /nfs/dbraw/zinc/50/10/68/567501068.db2.gz LEWXPSWUXLSCJV-UHFFFAOYSA-N -1 3 398.575 3.401 10 0 GGAEHM CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCO[C@H](CC)C1 ZINC000643218645 567501250 /nfs/dbraw/zinc/50/12/50/567501250.db2.gz WNLTUOMRZYWLCQ-CHWSQXEVSA-N -1 3 392.315 3.084 10 0 GGAEHM CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cnc3n2CCC3)c1 ZINC000437657973 567503949 /nfs/dbraw/zinc/50/39/49/567503949.db2.gz WGZREACAGDZWGY-UHFFFAOYSA-N -1 3 382.873 3.022 10 0 GGAEHM O=S(=O)([N-]c1ccc(Cl)cc1Br)c1cnc2n1CCC2 ZINC000437668501 567505315 /nfs/dbraw/zinc/50/53/15/567505315.db2.gz QHINFYNSPFGCOT-UHFFFAOYSA-N -1 3 376.663 3.046 10 0 GGAEHM COC[C@@](C)([N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)C(F)(F)F ZINC000479148795 567509097 /nfs/dbraw/zinc/50/90/97/567509097.db2.gz YPTMLBNDNVVYCE-LLVKDONJSA-N -1 3 397.749 3.187 10 0 GGAEHM O=S(=O)([N-]Cc1ccn(Cc2ccccc2)n1)c1ccc(Cl)cc1F ZINC000551486765 567510602 /nfs/dbraw/zinc/51/06/02/567510602.db2.gz ZGCNPMZYLKIZIB-UHFFFAOYSA-N -1 3 379.844 3.202 10 0 GGAEHM COC[C@@](C)([N-]S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1)C(F)(F)F ZINC000479162240 567511503 /nfs/dbraw/zinc/51/15/03/567511503.db2.gz RJWFNEIECIBIIV-LLVKDONJSA-N -1 3 379.322 3.260 10 0 GGAEHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@]1(C)CC1(F)F ZINC000594852821 567520772 /nfs/dbraw/zinc/52/07/72/567520772.db2.gz TYBXYNQTFKKDGL-AWEZNQCLSA-N -1 3 375.418 3.012 10 0 GGAEHM COC(=O)c1occc1C[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000594860648 567522349 /nfs/dbraw/zinc/52/23/49/567522349.db2.gz RMAWKQBSAJCBLX-UHFFFAOYSA-N -1 3 384.262 3.054 10 0 GGAEHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3csc(C(F)(F)F)n3)n2)cc1 ZINC000570968600 567526463 /nfs/dbraw/zinc/52/64/63/567526463.db2.gz INOBOXKMPYGEBM-UHFFFAOYSA-N -1 3 390.368 3.250 10 0 GGAEHM O=C(N[C@@H]1CCOc2c(Br)cccc21)c1cc(F)cc2nn[n-]c21 ZINC000504338216 567530881 /nfs/dbraw/zinc/53/08/81/567530881.db2.gz JHAQFVVWZVRMPE-GFCCVEGCSA-N -1 3 391.200 3.113 10 0 GGAEHM O=C(N[C@@H]1CCOc2c(Br)cccc21)c1cc(F)cc2[n-]nnc21 ZINC000504338216 567530888 /nfs/dbraw/zinc/53/08/88/567530888.db2.gz JHAQFVVWZVRMPE-GFCCVEGCSA-N -1 3 391.200 3.113 10 0 GGAEHM O=C(N[C@@H]1CCOc2c(Br)cccc21)c1cc(F)cc2n[n-]nc21 ZINC000504338216 567530894 /nfs/dbraw/zinc/53/08/94/567530894.db2.gz JHAQFVVWZVRMPE-GFCCVEGCSA-N -1 3 391.200 3.113 10 0 GGAEHM COc1cc(C(=O)N[C@@H]2CCOc3c(Br)cccc32)ccc1[O-] ZINC000504332470 567531379 /nfs/dbraw/zinc/53/13/79/567531379.db2.gz SDHVOYBEZRVKEE-CYBMUJFWSA-N -1 3 378.222 3.417 10 0 GGAEHM O=C(N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1)c1cnn2c1OCCC2 ZINC000551798439 567536081 /nfs/dbraw/zinc/53/60/81/567536081.db2.gz WTRRSLZSRRZJDZ-UHFFFAOYSA-N -1 3 378.219 3.037 10 0 GGAEHM CCc1nc([N-]C(=O)c2ccc(S(=O)(=O)N(C)C)o2)sc1C(C)(C)C ZINC000458272001 567536768 /nfs/dbraw/zinc/53/67/68/567536768.db2.gz KETLSHYFPRZDQX-UHFFFAOYSA-N -1 3 385.511 3.099 10 0 GGAEHM O=C(NCCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000504510133 567537020 /nfs/dbraw/zinc/53/70/20/567537020.db2.gz TWHCLPXHOUEJHY-UHFFFAOYSA-N -1 3 387.288 3.092 10 0 GGAEHM CC1(C)CC(NC(=O)c2sccc2S(=O)(=O)[N-]Cc2cccs2)C1 ZINC000620744167 567539770 /nfs/dbraw/zinc/53/97/70/567539770.db2.gz FKWLSBNBJQPUFM-UHFFFAOYSA-N -1 3 384.548 3.207 10 0 GGAEHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(F)cc1F ZINC000479498829 567541119 /nfs/dbraw/zinc/54/11/19/567541119.db2.gz GHHXBXZURZTDOR-UHFFFAOYSA-N -1 3 384.385 3.162 10 0 GGAEHM Cc1cc(C)cc(CS(=O)(=O)[N-][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1 ZINC000571181885 567543114 /nfs/dbraw/zinc/54/31/14/567543114.db2.gz VNNCKFURNGZPBI-DOTOQJQBSA-N -1 3 381.519 3.058 10 0 GGAEHM C[C@H]1CN(C(=O)Cc2ccc(Br)cc2[O-])C[C@@H](CC(F)(F)F)O1 ZINC000620803751 567544738 /nfs/dbraw/zinc/54/47/38/567544738.db2.gz AFEFJSPLQLMSSE-JOYOIKCWSA-N -1 3 396.203 3.266 10 0 GGAEHM C[C@H](CN(C)C(=O)Cc1ccc(Br)cc1[O-])C(=O)OC(C)(C)C ZINC000458400653 567544992 /nfs/dbraw/zinc/54/49/92/567544992.db2.gz UKVXMPPUIAEENH-LLVKDONJSA-N -1 3 386.286 3.133 10 0 GGAEHM Cc1nc([N-]C(=O)COc2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 ZINC000479574202 567545446 /nfs/dbraw/zinc/54/54/46/567545446.db2.gz CDQQRZILYIUHCF-UHFFFAOYSA-N -1 3 377.231 3.322 10 0 GGAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1c(F)ccc(Br)c1F ZINC000571230708 567546309 /nfs/dbraw/zinc/54/63/09/567546309.db2.gz VWGVHHQNOZTHRS-UHFFFAOYSA-N -1 3 388.168 3.188 10 0 GGAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1c(F)ccc(Br)c1F ZINC000571230708 567546314 /nfs/dbraw/zinc/54/63/14/567546314.db2.gz VWGVHHQNOZTHRS-UHFFFAOYSA-N -1 3 388.168 3.188 10 0 GGAEHM COc1ccc(CN2CCN(Cc3ccccc3)CC2)c(Br)c1[O-] ZINC000571256925 567548824 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COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000439067680 567563825 /nfs/dbraw/zinc/56/38/25/567563825.db2.gz GGGKHYVHKUMUQP-AWEZNQCLSA-N -1 3 381.519 3.108 10 0 GGAEHM CS(=O)(=O)c1csc(C(=O)[N-]c2c(F)cccc2Br)c1 ZINC000505179316 567564278 /nfs/dbraw/zinc/56/42/78/567564278.db2.gz HEMKYXHKZDLYOQ-UHFFFAOYSA-N -1 3 378.244 3.306 10 0 GGAEHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]Cc3ccccc3Br)cn21 ZINC000571505545 567567722 /nfs/dbraw/zinc/56/77/22/567567722.db2.gz DPXWHUVTLXXMTR-LLVKDONJSA-N -1 3 384.299 3.021 10 0 GGAEHM Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2 ZINC000505293262 567568891 /nfs/dbraw/zinc/56/88/91/567568891.db2.gz GJWXBBSBNUCAMU-UHFFFAOYSA-N -1 3 395.278 3.361 10 0 GGAEHM C[C@@H]1COC2(CCCC2)CN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000664471944 567570192 /nfs/dbraw/zinc/57/01/92/567570192.db2.gz ZTTIBYRTZSKUNR-GFCCVEGCSA-N -1 3 383.286 3.398 10 0 GGAEHM CC(C)[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C1(CO)CC=CC1 ZINC000664471352 567570241 /nfs/dbraw/zinc/57/02/41/567570241.db2.gz 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CC(C)(C)C(C)(C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552362577 567581684 /nfs/dbraw/zinc/58/16/84/567581684.db2.gz CPWQHMFLMVXVHT-UHFFFAOYSA-N -1 3 395.352 3.460 10 0 GGAEHM CCOc1cc(CN[C@H](CO)c2ccccc2OC)cc(Br)c1[O-] ZINC000571762020 567586414 /nfs/dbraw/zinc/58/64/14/567586414.db2.gz YXXWFRQJGGEXTF-OAHLLOKOSA-N -1 3 396.281 3.385 10 0 GGAEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000505752966 567594027 /nfs/dbraw/zinc/59/40/27/567594027.db2.gz LXWMVRZSRLUUAV-UHFFFAOYSA-N -1 3 375.282 3.478 10 0 GGAEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000505752966 567594029 /nfs/dbraw/zinc/59/40/29/567594029.db2.gz LXWMVRZSRLUUAV-UHFFFAOYSA-N -1 3 375.282 3.478 10 0 GGAEHM C[C@H](CC(C)(C)C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000552643999 567601031 /nfs/dbraw/zinc/60/10/31/567601031.db2.gz ORVSZBVLVVKOSE-LLVKDONJSA-N -1 3 395.352 3.460 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]c2ccnc(C)c2Br)sc1Cl ZINC000530440359 567602655 /nfs/dbraw/zinc/60/26/55/567602655.db2.gz 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567622009 /nfs/dbraw/zinc/62/20/09/567622009.db2.gz VWULJRVDGWXHQA-CHWSQXEVSA-N -1 3 399.329 3.433 10 0 GGAEHM C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000530749173 567622229 /nfs/dbraw/zinc/62/22/29/567622229.db2.gz KEEOCLICJMFZAN-NSHDSACASA-N -1 3 382.869 3.038 10 0 GGAEHM O=C([O-])[C@@H](CNCc1nc(-c2ccc(Br)cc2)c[nH]1)C1CCC1 ZINC000665360979 567622321 /nfs/dbraw/zinc/62/23/21/567622321.db2.gz HCDHBRQHAKYWQE-AWEZNQCLSA-N -1 3 378.270 3.430 10 0 GGAEHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000480708515 567622743 /nfs/dbraw/zinc/62/27/43/567622743.db2.gz LOFYBPSEGOETFE-UHFFFAOYSA-N -1 3 380.775 3.241 10 0 GGAEHM O=C([O-])[C@H](CNCc1nc(-c2ccc(Br)cc2)c[nH]1)C1CCC1 ZINC000665360980 567622903 /nfs/dbraw/zinc/62/29/03/567622903.db2.gz HCDHBRQHAKYWQE-CQSZACIVSA-N -1 3 378.270 3.430 10 0 GGAEHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000480735239 567624625 /nfs/dbraw/zinc/62/46/25/567624625.db2.gz RVMCBEUVQYKFMT-ZDUSSCGKSA-N -1 3 379.425 3.173 10 0 GGAEHM Cc1cccc2cc(S(=O)(=O)[N-]Cc3nnc4n3CCCCC4)sc21 ZINC000645439679 567625357 /nfs/dbraw/zinc/62/53/57/567625357.db2.gz SYFXQWNHOWSABH-UHFFFAOYSA-N -1 3 376.507 3.006 10 0 GGAEHM CC[C@H]([N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C)c1ccc(Cl)cc1 ZINC000645450037 567626340 /nfs/dbraw/zinc/62/63/40/567626340.db2.gz QCTVRXLJWZHVTH-AWEZNQCLSA-N -1 3 384.885 3.373 10 0 GGAEHM CCn1cnc(S(=O)(=O)[N-][C@H](C)c2ccc(-c3csc(C)n3)cc2)c1 ZINC000530856508 567626783 /nfs/dbraw/zinc/62/67/83/567626783.db2.gz CISIWFJQRGATEK-GFCCVEGCSA-N -1 3 376.507 3.374 10 0 GGAEHM Cc1cc(S(=O)(=O)[N-]C[C@H](CO)Cc2ccc(F)c(F)c2)sc1Cl ZINC000480746183 567627370 /nfs/dbraw/zinc/62/73/70/567627370.db2.gz FOZVAQCJRIFQSH-LLVKDONJSA-N -1 3 395.880 3.118 10 0 GGAEHM CCOc1cc(CN[C@H](CC)[C@H](O)C(F)(F)F)cc(Br)c1[O-] ZINC000459466611 567628192 /nfs/dbraw/zinc/62/81/92/567628192.db2.gz YYLIMSZWYFKWEQ-MFKMUULPSA-N -1 3 386.208 3.345 10 0 GGAEHM COc1cccc(C(=O)NC[C@H](C)Oc2ccc(Br)cc2)c1[O-] ZINC000440478189 567629969 /nfs/dbraw/zinc/62/99/69/567629969.db2.gz KCPRUTKUZZMEII-NSHDSACASA-N -1 3 380.238 3.361 10 0 GGAEHM CCOc1cc(CNCc2cccn(CC)c2=O)cc(Br)c1[O-] ZINC000459505337 567631341 /nfs/dbraw/zinc/63/13/41/567631341.db2.gz NSGHXWDPZKYEOS-UHFFFAOYSA-N -1 3 381.270 3.025 10 0 GGAEHM CCOc1cc(CN(CC)C[C@@H](O)C(F)(F)F)cc(Br)c1[O-] ZINC000459509456 567632178 /nfs/dbraw/zinc/63/21/78/567632178.db2.gz YBHJAQZOOHEGTA-GFCCVEGCSA-N -1 3 386.208 3.299 10 0 GGAEHM Cc1nn(C)c(C)c1[C@H]1COCCN1Cc1cccc([O-])c1Br ZINC000459513436 567632691 /nfs/dbraw/zinc/63/26/91/567632691.db2.gz BBCZYRBWPXUMNG-CQSZACIVSA-N -1 3 380.286 3.079 10 0 GGAEHM O=C1[C@@H](NCc2cccc([O-])c2Br)CCN1Cc1ccc(F)cc1 ZINC000459515275 567633033 /nfs/dbraw/zinc/63/30/33/567633033.db2.gz GYVGZTXQPXVLHS-HNNXBMFYSA-N -1 3 393.256 3.185 10 0 GGAEHM Cc1c(S(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)coc1C(=O)N(C)C ZINC000645497513 567634187 /nfs/dbraw/zinc/63/41/87/567634187.db2.gz VYXAXVYOOOZUSK-UHFFFAOYSA-N -1 3 391.276 3.075 10 0 GGAEHM CCOc1cc(CN2CCC[C@H](OCCOC)C2)cc(Br)c1[O-] ZINC000459537557 567634564 /nfs/dbraw/zinc/63/45/64/567634564.db2.gz IOGNDQUZHKITMC-AWEZNQCLSA-N -1 3 388.302 3.181 10 0 GGAEHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(F)cc1Br)C1CCCCC1 ZINC000480844386 567635176 /nfs/dbraw/zinc/63/51/76/567635176.db2.gz OEWFUDXPIMHILJ-OAHLLOKOSA-N -1 3 394.306 3.198 10 0 GGAEHM CCOc1cc(CN2C[C@@H](CC)[S@](=O)[C@@H](C)C2)cc(Br)c1[O-] ZINC000459544780 567636181 /nfs/dbraw/zinc/63/61/81/567636181.db2.gz KEHMIGZEHOLKOB-WBLQJCTDSA-N -1 3 390.343 3.285 10 0 GGAEHM CCOc1cc(CN2CC[C@H](c3nccn3C)C2)cc(Br)c1[O-] ZINC000459552016 567636214 /nfs/dbraw/zinc/63/62/14/567636214.db2.gz QEVMGOPWWXXBMG-ZDUSSCGKSA-N -1 3 380.286 3.276 10 0 GGAEHM CCOc1cc(CN2CC[C@@H](c3nccn3C)C2)cc(Br)c1[O-] ZINC000459552015 567636328 /nfs/dbraw/zinc/63/63/28/567636328.db2.gz QEVMGOPWWXXBMG-CYBMUJFWSA-N -1 3 380.286 3.276 10 0 GGAEHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CCCCC1 ZINC000480867110 567637637 /nfs/dbraw/zinc/63/76/37/567637637.db2.gz 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