smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(Br)cc1 ZINC000766945311 939076127 /nfs/dbraw/zinc/07/61/27/939076127.db2.gz RNSAUYCQBCFOBA-CYBMUJFWSA-N -2 3 384.176 3.483 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)NC3(C(=O)[O-])CCCCCC3)cc2)cc(=O)[n-]1 ZINC000562407286 939323523 /nfs/dbraw/zinc/32/35/23/939323523.db2.gz PYVFGDCJBOPWPZ-UHFFFAOYSA-N -2 3 384.436 3.457 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)N[C@H](C(=O)[O-])c3ccccc3F)cc2)cc(=O)[n-]1 ZINC000683921442 939871278 /nfs/dbraw/zinc/87/12/78/939871278.db2.gz VYZYHDWBWQAWNW-SFHVURJKSA-N -2 3 396.378 3.244 20 0 GGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)c1F ZINC000323972195 971069136 /nfs/dbraw/zinc/06/91/36/971069136.db2.gz WEESNNXCUXWHJG-UHFFFAOYSA-N -2 3 392.235 3.352 20 0 GGADHL CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000325077164 971183131 /nfs/dbraw/zinc/18/31/31/971183131.db2.gz ZBBGTZCCQYRSGP-UHFFFAOYSA-N -2 3 388.854 3.249 20 0 GGADHL CC[C@@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-])c1nccs1 ZINC000325084686 971183526 /nfs/dbraw/zinc/18/35/26/971183526.db2.gz ZYYBAPDEXVUXJJ-SNVBAGLBSA-N -2 3 382.488 3.486 20 0 GGADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000325412368 971213639 /nfs/dbraw/zinc/21/36/39/971213639.db2.gz LAOQTMBHPIEEMZ-UHFFFAOYSA-N -2 3 394.225 3.327 20 0 GGADHL O=C([O-])c1cnc(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)cn1 ZINC001602508964 971217706 /nfs/dbraw/zinc/21/77/06/971217706.db2.gz HEHDWFZWHRAGJR-UHFFFAOYSA-N -2 3 392.396 3.409 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)ccc1O ZINC000327159579 971372729 /nfs/dbraw/zinc/37/27/29/971372729.db2.gz WOJROZLUSAZKJT-UHFFFAOYSA-N -2 3 376.415 3.015 20 0 GGADHL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cc1 ZINC000327495085 971403143 /nfs/dbraw/zinc/40/31/43/971403143.db2.gz YWFCOXYOIHYQSX-BAQGIRSFSA-N -2 3 395.849 3.243 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1-c1nn[n-]n1 ZINC000826299612 947870010 /nfs/dbraw/zinc/87/00/10/947870010.db2.gz MSGUJKZSIHYJPU-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL O=C([O-])CC1([N-]S(=O)(=O)c2csnc2-c2ccccc2)CCCCC1 ZINC001594984830 951016220 /nfs/dbraw/zinc/01/62/20/951016220.db2.gz SABQAVUWRKSGCR-UHFFFAOYSA-N -2 3 380.491 3.266 20 0 GGADHL CC(C)(C)CC[C@@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C(=O)[O-] ZINC001602861616 971723127 /nfs/dbraw/zinc/72/31/27/971723127.db2.gz DAZMIQDIDMHWBZ-SNVBAGLBSA-N -2 3 385.486 3.499 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)cc2)cc1 ZINC000573568150 953674852 /nfs/dbraw/zinc/67/48/52/953674852.db2.gz RPRQOEXJEYJAGM-KRWDZBQOSA-N -2 3 390.461 3.091 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C(=O)[O-])C(C)C)cc2)cc1 ZINC000573568155 953674871 /nfs/dbraw/zinc/67/48/71/953674871.db2.gz RPRQOEXJEYJAGM-QGZVFWFLSA-N -2 3 390.461 3.091 20 0 GGADHL O=C([O-])CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)CC1CC1 ZINC000650509468 954024841 /nfs/dbraw/zinc/02/48/41/954024841.db2.gz AOAXULUDCQJHQZ-UHFFFAOYSA-N -2 3 387.436 3.087 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)c1ccc(F)cc1 ZINC001594843990 954113628 /nfs/dbraw/zinc/11/36/28/954113628.db2.gz QTCYUXYGTYRFFO-INIZCTEOSA-N -2 3 392.433 3.053 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c(F)c1 ZINC000013059794 956920427 /nfs/dbraw/zinc/92/04/27/956920427.db2.gz UTCWWWOPGHRFGU-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000013264937 957003004 /nfs/dbraw/zinc/00/30/04/957003004.db2.gz DJLZIFBDUHWFGN-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])[C@H]1C[C@H](NC(=O)c2cc([O-])cc(Br)c2)c2ccccc21 ZINC001594726340 957007957 /nfs/dbraw/zinc/00/79/57/957007957.db2.gz MBUAZMIPELBYPS-GJZGRUSLSA-N -2 3 376.206 3.198 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1OCC ZINC000014097366 957095120 /nfs/dbraw/zinc/09/51/20/957095120.db2.gz ZINGAHKMWQBCSA-UHFFFAOYSA-N -2 3 379.434 3.291 20 0 GGADHL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC000025741179 957161943 /nfs/dbraw/zinc/16/19/43/957161943.db2.gz GJEVIKOCKNAFFL-UHFFFAOYSA-N -2 3 376.434 3.170 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1C(F)(F)F ZINC000042005010 957399948 /nfs/dbraw/zinc/39/99/48/957399948.db2.gz WYQRYWQNTINPRG-UHFFFAOYSA-N -2 3 389.351 3.278 20 0 GGADHL CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000055955457 957549412 /nfs/dbraw/zinc/54/94/12/957549412.db2.gz DJGIYIQKWLPXCR-UHFFFAOYSA-N -2 3 376.434 3.170 20 0 GGADHL Cc1cc(Br)sc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCCCC1 ZINC001594274087 957701196 /nfs/dbraw/zinc/70/11/96/957701196.db2.gz PVDSAUYSSILAHW-UHFFFAOYSA-N -2 3 396.328 3.275 20 0 GGADHL C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000390497993 972289709 /nfs/dbraw/zinc/28/97/09/972289709.db2.gz PMUDESRXLVSJFJ-QMMMGPOBSA-N -2 3 377.846 3.148 20 0 GGADHL C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000390497990 972289734 /nfs/dbraw/zinc/28/97/34/972289734.db2.gz PMUDESRXLVSJFJ-MRVPVSSYSA-N -2 3 377.846 3.148 20 0 GGADHL C[C@@](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001603193073 972296582 /nfs/dbraw/zinc/29/65/82/972296582.db2.gz HRDCJQCWPMILIN-INIZCTEOSA-N -2 3 388.272 3.314 20 0 GGADHL Cc1cc(Cl)c(S(=O)(=O)[N-]CCCCCC(=O)[O-])c(Br)c1 ZINC001594307117 957978563 /nfs/dbraw/zinc/97/85/63/957978563.db2.gz FAOYEDGRRCPWME-UHFFFAOYSA-N -2 3 398.706 3.334 20 0 GGADHL Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@H](C(=O)[O-])c4ccccc43)c[n-]c12 ZINC001594311932 958039697 /nfs/dbraw/zinc/03/96/97/958039697.db2.gz NCMYWIQAXRCPFE-AWEZNQCLSA-N -2 3 380.375 3.194 20 0 GGADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC001588520271 958831189 /nfs/dbraw/zinc/83/11/89/958831189.db2.gz PPEVAKQWXTXAOS-UHFFFAOYSA-N -2 3 382.416 3.069 20 0 GGADHL Cc1cccc([C@@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)C(=O)[O-])c1 ZINC001594399901 958839847 /nfs/dbraw/zinc/83/98/47/958839847.db2.gz VYUSBEAPRDNVPC-QGZVFWFLSA-N -2 3 388.470 3.223 20 0 GGADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000391953607 972393528 /nfs/dbraw/zinc/39/35/28/972393528.db2.gz HOMOPANDTDUPJX-UHFFFAOYSA-N -2 3 376.799 3.117 20 0 GGADHL C[C@](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001573601558 959447900 /nfs/dbraw/zinc/44/79/00/959447900.db2.gz OPQHLLDDZDMLEA-MRXNPFEDSA-N -2 3 388.272 3.314 20 0 GGADHL Cc1nc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)c(-c2ccccc2)s1 ZINC001594460516 959453316 /nfs/dbraw/zinc/45/33/16/959453316.db2.gz YUWXZSQQJSAZTB-UHFFFAOYSA-N -2 3 380.491 3.184 20 0 GGADHL Cc1nc(S(=O)(=O)[N-]Cc2ccccc2C(=O)[O-])c(-c2ccccc2)s1 ZINC001594460983 959460817 /nfs/dbraw/zinc/46/08/17/959460817.db2.gz UIXKYRVYPIBRLN-UHFFFAOYSA-N -2 3 388.470 3.295 20 0 GGADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000392243315 972431334 /nfs/dbraw/zinc/43/13/34/972431334.db2.gz ZWCAWQSZYDBACI-UHFFFAOYSA-N -2 3 391.188 3.401 20 0 GGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)C2CC2)n1 ZINC000185063623 959495994 /nfs/dbraw/zinc/49/59/94/959495994.db2.gz MOHJOGSHMULNNV-AWEZNQCLSA-N -2 3 384.454 3.027 20 0 GGADHL Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000190375150 959512307 /nfs/dbraw/zinc/51/23/07/959512307.db2.gz ZXQSLNWTJJTKCK-UHFFFAOYSA-N -2 3 391.836 3.333 20 0 GGADHL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000228162176 959997635 /nfs/dbraw/zinc/99/76/35/959997635.db2.gz MUDPPWJYXDVQMK-UHFFFAOYSA-N -2 3 398.206 3.288 20 0 GGADHL C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259212074 960661632 /nfs/dbraw/zinc/66/16/32/960661632.db2.gz DXDXUZCKJMIZDK-LLVKDONJSA-N -2 3 385.844 3.477 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccccc2Cl)c(F)cc1Cl ZINC001259212308 960662785 /nfs/dbraw/zinc/66/27/85/960662785.db2.gz LLNSILKSBAXQHS-UHFFFAOYSA-N -2 3 378.208 3.309 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2ccccc2Cl)c(F)cc1Cl ZINC001259221845 960685134 /nfs/dbraw/zinc/68/51/34/960685134.db2.gz WSGMXKVYWANYSQ-UHFFFAOYSA-N -2 3 392.235 3.352 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc32)c(F)cc1Cl ZINC001259222807 960687283 /nfs/dbraw/zinc/68/72/83/960687283.db2.gz FJLZTDXCWIAIBI-AWEZNQCLSA-N -2 3 387.791 3.282 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)c(F)cc1Cl ZINC001259224070 960689120 /nfs/dbraw/zinc/68/91/20/960689120.db2.gz RZLFJTBHBMKOLG-UHFFFAOYSA-N -2 3 383.828 3.402 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc32)c(F)cc1Cl ZINC001259225191 960691785 /nfs/dbraw/zinc/69/17/85/960691785.db2.gz FGVHVZASYZTGCG-NSHDSACASA-N -2 3 383.828 3.186 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccc3cccnc32)c(F)cc1Cl ZINC001259226118 960694118 /nfs/dbraw/zinc/69/41/18/960694118.db2.gz PAWAAJBRTUSGKU-UHFFFAOYSA-N -2 3 394.811 3.204 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)ccc1O ZINC001260398860 960720992 /nfs/dbraw/zinc/72/09/92/960720992.db2.gz DZJDBGSXRIZUPT-UHFFFAOYSA-N -2 3 377.418 3.213 20 0 GGADHL COc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1Br ZINC001324046100 961026205 /nfs/dbraw/zinc/02/62/05/961026205.db2.gz GPRRPFJGRSAYDR-UHFFFAOYSA-N -2 3 392.252 3.018 20 0 GGADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001328603606 961214847 /nfs/dbraw/zinc/21/48/47/961214847.db2.gz AJWQEEAXZOLNKT-UHFFFAOYSA-N -2 3 388.795 3.067 20 0 GGADHL O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)c1cc(Cc3ccccc3)ccc1[O-])O2 ZINC001574564125 962025073 /nfs/dbraw/zinc/02/50/73/962025073.db2.gz FDIOZVUCBHOQIQ-OTQYULQBSA-N -2 3 395.455 3.125 20 0 GGADHL O=C([O-])[C@]1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCCO1 ZINC001574633551 962314391 /nfs/dbraw/zinc/31/43/91/962314391.db2.gz VTPWLZGQEPJHDN-LJQANCHMSA-N -2 3 384.413 3.241 20 0 GGADHL O=C([O-])[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)Cc2ccccc21 ZINC001574658178 962484327 /nfs/dbraw/zinc/48/43/27/962484327.db2.gz XMASYKWAWVMEGE-OAHLLOKOSA-N -2 3 382.803 3.006 20 0 GGADHL O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001574665691 962506923 /nfs/dbraw/zinc/50/69/23/962506923.db2.gz LAFXVQMRVNDRNL-KRWDZBQOSA-N -2 3 382.803 3.006 20 0 GGADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC001573345234 962929919 /nfs/dbraw/zinc/92/99/19/962929919.db2.gz MFZNQEDRNKGLHW-UHFFFAOYSA-N -2 3 382.416 3.024 20 0 GGADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000316699230 964043389 /nfs/dbraw/zinc/04/33/89/964043389.db2.gz BUAUYKGMWISOII-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653494124 968670743 /nfs/dbraw/zinc/67/07/43/968670743.db2.gz QOZKWAWVBCUIML-INTQDDNPSA-N -2 3 397.390 3.258 20 0 GGADHL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(C2CCCC2)cc1 ZINC001605974338 972991627 /nfs/dbraw/zinc/99/16/27/972991627.db2.gz MIBBZPAFBGABDD-IAGOWNOFSA-N -2 3 398.425 3.440 20 0 GGADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000400479397 973286702 /nfs/dbraw/zinc/28/67/02/973286702.db2.gz XRLHLGQMXTWSRZ-KCJUWKMLSA-N -2 3 398.706 3.270 20 0 GGADHL O=C([O-])[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@H]1c1ccccc1 ZINC001606427467 973873876 /nfs/dbraw/zinc/87/38/76/973873876.db2.gz MRAJTEDRVSFGAS-JKSUJKDBSA-N -2 3 390.233 3.095 20 0 GGADHL O=C([O-])[C@@H]1CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C[C@H]1c1ccccc1 ZINC001606434998 973886358 /nfs/dbraw/zinc/88/63/58/973886358.db2.gz QXSGJIKIIQJAHE-JKSUJKDBSA-N -2 3 396.830 3.122 20 0 GGADHL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1)C(=O)[O-] ZINC000463792871 974187986 /nfs/dbraw/zinc/18/79/86/974187986.db2.gz BZCXCDUWCALNSE-CQSZACIVSA-N -3 3 391.445 3.147 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C ZINC000466346408 974189211 /nfs/dbraw/zinc/18/92/11/974189211.db2.gz KCWXQNGMRHUAJG-UHFFFAOYSA-N -3 3 377.418 3.316 20 0 GGADHL Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000475827006 974202927 /nfs/dbraw/zinc/20/29/27/974202927.db2.gz JPOSBTKAESOWGK-UHFFFAOYSA-N -2 3 398.440 3.321 20 0 GGADHL CCc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2C)c(C(=O)[O-])c1 ZINC000496073628 974262301 /nfs/dbraw/zinc/26/23/01/974262301.db2.gz RYSXRWADBXKDHA-UHFFFAOYSA-N -2 3 379.434 3.074 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)ccc1OC(C)C ZINC000504507613 974268613 /nfs/dbraw/zinc/26/86/13/974268613.db2.gz KFYJADZTODFMMC-UHFFFAOYSA-N -2 3 393.461 3.437 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1C ZINC000541805116 974412878 /nfs/dbraw/zinc/41/28/78/974412878.db2.gz SRPBBLLZQJEBCH-CQSZACIVSA-N -2 3 377.462 3.376 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000544098604 974419791 /nfs/dbraw/zinc/41/97/91/974419791.db2.gz MNWXIKRTROJSAB-LLVKDONJSA-N -3 3 377.418 3.072 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c(C)c1C ZINC000544642093 974420924 /nfs/dbraw/zinc/42/09/24/974420924.db2.gz SUNQOJQMCMFVGH-GFCCVEGCSA-N -2 3 377.462 3.376 20 0 GGADHL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1 ZINC000547586370 974440170 /nfs/dbraw/zinc/44/01/70/974440170.db2.gz YDZOJNMZOWBEDO-UHFFFAOYSA-N -2 3 394.424 3.309 20 0 GGADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)c1 ZINC000555117360 974485127 /nfs/dbraw/zinc/48/51/27/974485127.db2.gz OHAHODWLIOBDOR-UHFFFAOYSA-N -2 3 384.413 3.302 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc2ccccc2c1 ZINC000556417446 974488801 /nfs/dbraw/zinc/48/88/01/974488801.db2.gz CVXVQILXHDUSOX-KRWDZBQOSA-N -2 3 395.358 3.361 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)Cc2ccccc2C(F)(F)F)cc1C(=O)[O-] ZINC000563070025 974511892 /nfs/dbraw/zinc/51/18/92/974511892.db2.gz VQQBYRUIHZCXNM-SECBINFHSA-N -2 3 391.367 3.215 20 0 GGADHL CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@](C(=O)[O-])(c4ccccc4)C3)nc2)n1 ZINC000564334174 974547187 /nfs/dbraw/zinc/54/71/87/974547187.db2.gz CLBMGWKYGBAIRV-JOCHJYFZSA-N -2 3 390.443 3.039 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cc(OC)c(C)c2C)cc1C(=O)[O-] ZINC000583402553 974940595 /nfs/dbraw/zinc/94/05/95/974940595.db2.gz KMTHZNSEOVNBRR-UHFFFAOYSA-N -2 3 379.434 3.128 20 0 GGADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2(c3ccc(C(F)(F)F)cc3)CCC2)c1 ZINC000622039766 975064250 /nfs/dbraw/zinc/06/42/50/975064250.db2.gz RSFQCQSUTPQJOC-UHFFFAOYSA-N -2 3 389.351 3.354 20 0 GGADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC001591671576 975430623 /nfs/dbraw/zinc/43/06/23/975430623.db2.gz AXFRQMIVZOZVNW-CQSZACIVSA-N -2 3 380.441 3.256 20 0 GGADHL CC(C)OC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCCC1 ZINC001591694776 975513942 /nfs/dbraw/zinc/51/39/42/975513942.db2.gz CAKPNMUYHAVEOR-UHFFFAOYSA-N -2 3 391.436 3.069 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CC(C)(C)Oc3cc(F)ccc32)oc1C(=O)[O-] ZINC000663422644 975950186 /nfs/dbraw/zinc/95/01/86/975950186.db2.gz GROYTEZZILXDBG-LBPRGKRZSA-N -2 3 383.397 3.006 20 0 GGADHL COc1ccccc1SC[C@@H](C)C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663423324 975951153 /nfs/dbraw/zinc/95/11/53/975951153.db2.gz SMUHRIOWRFOYTG-NSHDSACASA-N -2 3 399.490 3.002 20 0 GGADHL CC(C)Oc1ccc([N-]S(=O)(=O)C[C@H](C(=O)[O-])c2ccccc2)c(F)c1 ZINC001591788541 975974190 /nfs/dbraw/zinc/97/41/90/975974190.db2.gz NLLVSFBQASJFNH-HNNXBMFYSA-N -2 3 381.425 3.223 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1OCC ZINC000675092173 976013031 /nfs/dbraw/zinc/01/30/31/976013031.db2.gz PKRWUTUTLKMNLU-UHFFFAOYSA-N -2 3 379.434 3.291 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c2ccccc12 ZINC000675219515 976014279 /nfs/dbraw/zinc/01/42/79/976014279.db2.gz DZCXSUWDAAKOCF-UHFFFAOYSA-N -2 3 375.377 3.487 20 0 GGADHL CC(C)c1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])CCC2 ZINC001591981078 976594856 /nfs/dbraw/zinc/59/48/56/976594856.db2.gz MHWDQMJWLWHOJE-AWEZNQCLSA-N -2 3 380.491 3.321 20 0 GGADHL CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(F)c(C(=O)[O-])c3F)ccc21 ZINC001592163721 977058977 /nfs/dbraw/zinc/05/89/77/977058977.db2.gz UMGUZSFFZAMBQS-UHFFFAOYSA-N -2 3 395.387 3.394 20 0 GGADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1cccc(OCc2ccccc2)c1 ZINC000723229989 978174342 /nfs/dbraw/zinc/17/43/42/978174342.db2.gz ZDPPVHSNXHLVST-UHFFFAOYSA-N -2 3 387.413 3.035 20 0 GGADHL CC(C)Oc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2occc2C(=O)[O-])cc1 ZINC001592540672 978424954 /nfs/dbraw/zinc/42/49/54/978424954.db2.gz UHUJNZORKOYQFO-CYBMUJFWSA-N -2 3 381.450 3.065 20 0 GGADHL CC(C)Oc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2occc2C(=O)[O-])cc1 ZINC001592540673 978425108 /nfs/dbraw/zinc/42/51/08/978425108.db2.gz UHUJNZORKOYQFO-ZDUSSCGKSA-N -2 3 381.450 3.065 20 0 GGADHL C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001592552262 978438413 /nfs/dbraw/zinc/43/84/13/978438413.db2.gz SPXCVYKGCAMENV-SECBINFHSA-N -2 3 375.805 3.070 20 0 GGADHL CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000757646139 978703031 /nfs/dbraw/zinc/70/30/31/978703031.db2.gz UCEWLBAJTZLMEL-IZZDOVSWSA-N -2 3 389.429 3.070 20 0 GGADHL CC(C)CC[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761238209 978705825 /nfs/dbraw/zinc/70/58/25/978705825.db2.gz MKUGUMQHIBEAAN-QMMMGPOBSA-N -2 3 384.317 3.312 20 0 GGADHL CCCCC[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761234600 978705999 /nfs/dbraw/zinc/70/59/99/978705999.db2.gz NCIJLTLKXGCHIB-MRVPVSSYSA-N -2 3 384.317 3.456 20 0 GGADHL CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761263191 978707565 /nfs/dbraw/zinc/70/75/65/978707565.db2.gz FXELSAOMSYEVPG-WCBMZHEXSA-N -2 3 396.328 3.456 20 0 GGADHL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)[O-])c3)cc2O1 ZINC000785490160 978794829 /nfs/dbraw/zinc/79/48/29/978794829.db2.gz XJTCRDAZYBWXAS-SFHVURJKSA-N -2 3 393.417 3.092 20 0 GGADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c1 ZINC000788743148 978797523 /nfs/dbraw/zinc/79/75/23/978797523.db2.gz UVASUGCMOXOUJP-UHFFFAOYSA-N -2 3 375.780 3.109 20 0 GGADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2cn[nH]c2)c1 ZINC000793414873 978808113 /nfs/dbraw/zinc/80/81/13/978808113.db2.gz HUTTZBLYOSSZEH-UHFFFAOYSA-N -2 3 375.381 3.023 20 0 GGADHL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)ccc1OC(C)C ZINC000793407413 978808508 /nfs/dbraw/zinc/80/85/08/978808508.db2.gz GXIWMOQWUDDTMI-UHFFFAOYSA-N -2 3 397.424 3.429 20 0 GGADHL C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)[C@@H]1C ZINC000794919565 978828904 /nfs/dbraw/zinc/82/89/04/978828904.db2.gz OGHUJSHJFZOQAI-BBBLOLIVSA-N -2 3 394.287 3.091 20 0 GGADHL Cc1oc(C[N-]S(=O)(=O)c2cc3ccc(Cl)nc3cc2F)cc1C(=O)[O-] ZINC000798410713 978836120 /nfs/dbraw/zinc/83/61/20/978836120.db2.gz HDTUTUFFRHLHEG-UHFFFAOYSA-N -2 3 398.799 3.105 20 0 GGADHL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000833417224 979181695 /nfs/dbraw/zinc/18/16/95/979181695.db2.gz NGTNDMRUPOMXAR-LBPRGKRZSA-N -2 3 399.285 3.187 20 0 GGADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)c1ccc(F)cc1 ZINC001592716785 979218417 /nfs/dbraw/zinc/21/84/17/979218417.db2.gz ZEWYTVIQVPSEEJ-SECBINFHSA-N -2 3 389.807 3.398 20 0 GGADHL O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1nnc2ccccc2c1[O-] ZINC000836753031 979258372 /nfs/dbraw/zinc/25/83/72/979258372.db2.gz BDWKWGOUCVDOCG-KSSFIOAISA-N -2 3 391.427 3.029 20 0 GGADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC001595057012 979295369 /nfs/dbraw/zinc/29/53/69/979295369.db2.gz LFQZCSOXXBZHDL-UHFFFAOYSA-N -2 3 398.706 3.414 20 0 GGADHL CCC(CC)(CC)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001595060234 979315977 /nfs/dbraw/zinc/31/59/77/979315977.db2.gz IVJYQGFREBRUOA-UHFFFAOYSA-N -2 3 384.317 3.456 20 0 GGADHL C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001592896695 979798428 /nfs/dbraw/zinc/79/84/28/979798428.db2.gz RTZCRZHLFCXFDY-VIFPVBQESA-N -2 3 389.807 3.226 20 0 GGADHL C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001592902895 979830192 /nfs/dbraw/zinc/83/01/92/979830192.db2.gz QJGCFMCJMNBCIA-MRVPVSSYSA-N -2 3 377.846 3.148 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)[C@@H]1CC1(C)C ZINC001595317528 980493786 /nfs/dbraw/zinc/49/37/86/980493786.db2.gz YKLWSRYBOYWQSX-CBAPKCEASA-N -2 3 396.328 3.312 20 0 GGADHL CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCCCC1 ZINC001595379833 980920922 /nfs/dbraw/zinc/92/09/22/980920922.db2.gz YPTMTPPCWGZEEY-UHFFFAOYSA-N -2 3 394.287 3.379 20 0 GGADHL CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001595441930 981081137 /nfs/dbraw/zinc/08/11/37/981081137.db2.gz WAESFPYXXOCFEV-GZMMTYOYSA-N -2 3 394.262 3.143 20 0 GGADHL CCC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC001595566817 981464491 /nfs/dbraw/zinc/46/44/91/981464491.db2.gz XAXMERXEIMGCDM-GFCCVEGCSA-N -2 3 384.679 3.024 20 0 GGADHL CCCC1(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CC1 ZINC001595616990 981647817 /nfs/dbraw/zinc/64/78/17/981647817.db2.gz MJWVEGWRWDFXIM-UHFFFAOYSA-N -2 3 382.301 3.067 20 0 GGADHL CCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001594802095 981899613 /nfs/dbraw/zinc/89/96/13/981899613.db2.gz WHVURUOOBGTYAD-UHFFFAOYSA-N -2 3 382.251 3.001 20 0 GGADHL CCCC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(OC)cc1 ZINC001595642253 981971400 /nfs/dbraw/zinc/97/14/00/981971400.db2.gz LMRASRZEOIKBKF-CYBMUJFWSA-N -2 3 384.479 3.060 20 0 GGADHL CCCCC[C@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C(=O)[O-] ZINC001595683150 982169504 /nfs/dbraw/zinc/16/95/04/982169504.db2.gz KJNRUJCBTZVPMR-JTQLQIEISA-N -2 3 376.887 3.262 20 0 GGADHL CCCCC[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC001595687746 982181815 /nfs/dbraw/zinc/18/18/15/982181815.db2.gz SYZOZTBLUNSPBB-VIFPVBQESA-N -2 3 387.351 3.036 20 0 GGADHL CCCCOc1ccc(C(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)c([O-])c1 ZINC001595774506 982532849 /nfs/dbraw/zinc/53/28/49/982532849.db2.gz VIMGTSZHWCNJBK-UHFFFAOYSA-N -2 3 385.416 3.304 20 0 GGADHL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000917720039 982680900 /nfs/dbraw/zinc/68/09/00/982680900.db2.gz QVFDJIYCHURUSE-UHFFFAOYSA-N -2 3 375.446 3.436 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)ccc1OC(C)C ZINC000917735254 982681673 /nfs/dbraw/zinc/68/16/73/982681673.db2.gz ZHTIWNMSVOQZEG-UHFFFAOYSA-N -2 3 393.417 3.010 20 0 GGADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)c1 ZINC000917896214 982683520 /nfs/dbraw/zinc/68/35/20/982683520.db2.gz SRMCSJVMOLJGAX-UHFFFAOYSA-N -2 3 395.305 3.160 20 0 GGADHL O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1cccc(Br)c1)c1ccccc1 ZINC001574748344 983273249 /nfs/dbraw/zinc/27/32/49/983273249.db2.gz MJEVNQZNVBWNLB-ZDUSSCGKSA-N -2 3 384.176 3.483 20 0 GGADHL CCCc1nc(C)c(C[N-]S(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)o1 ZINC001596082900 983403378 /nfs/dbraw/zinc/40/33/78/983403378.db2.gz CPRYKGYGBBGZJF-UHFFFAOYSA-N -2 3 392.886 3.136 20 0 GGADHL CCN(C(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1)c1ncc(C(=O)[O-])s1 ZINC001596167337 983532306 /nfs/dbraw/zinc/53/23/06/983532306.db2.gz PNJDWIQEKBYLAB-UHFFFAOYSA-N -2 3 399.428 3.193 20 0 GGADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC001588661095 983785904 /nfs/dbraw/zinc/78/59/04/983785904.db2.gz DRLKSPMXDCPLCT-HNNXBMFYSA-N -2 3 388.807 3.116 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001599902743 984869164 /nfs/dbraw/zinc/86/91/64/984869164.db2.gz NDBKDCJBLNFBSR-LURJTMIESA-N -2 3 381.262 3.188 20 0 GGADHL CCO[C@H]1C[C@@](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])(C(=O)[O-])C1(C)C ZINC001596829481 985456841 /nfs/dbraw/zinc/45/68/41/985456841.db2.gz WWDYLPFEVTUGDO-WMZHIEFXSA-N -2 3 397.471 3.371 20 0 GGADHL CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC001597069526 986591981 /nfs/dbraw/zinc/59/19/81/986591981.db2.gz WHICLWWGBXWWIE-CYBMUJFWSA-N -2 3 397.415 3.429 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)c(C(F)(F)F)c1 ZINC001597126213 986836268 /nfs/dbraw/zinc/83/62/68/986836268.db2.gz ZEGBHIBYUAIGGE-UHFFFAOYSA-N -2 3 395.399 3.491 20 0 GGADHL CC(C)(C(=O)[O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccccc1 ZINC001589600960 987423786 /nfs/dbraw/zinc/42/37/86/987423786.db2.gz BHBWRUGRXXDZNU-CYBMUJFWSA-N -2 3 386.832 3.005 20 0 GGADHL CCc1cc(=O)[n-]c(-c2ccc(N3CCc4cccc(C(=O)[O-])c4C3)nc2)n1 ZINC001597421812 987743115 /nfs/dbraw/zinc/74/31/15/987743115.db2.gz ZMIYUBFFPKHZLK-UHFFFAOYSA-N -2 3 376.416 3.068 20 0 GGADHL CCc1cccc(C(=O)N2C[C@@H](c3ccc(F)cc3F)[C@H](C(=O)[O-])C2)c1[O-] ZINC001597570641 988348103 /nfs/dbraw/zinc/34/81/03/988348103.db2.gz VLPZXRCPBBCHPK-JKSUJKDBSA-N -2 3 375.371 3.173 20 0 GGADHL CC(C)(C)OC(=O)[C@H]1CN(Cc2cccc([O-])c2Cl)CC12CC(C(=O)[O-])C2 ZINC001589865487 988457346 /nfs/dbraw/zinc/45/73/46/988457346.db2.gz CCHZBRZQMRVLNM-LQZXRHCMSA-N -2 3 395.883 3.300 20 0 GGADHL CSc1ccc(NC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1C(=O)[O-] ZINC001599818070 988462773 /nfs/dbraw/zinc/46/27/73/988462773.db2.gz MNSKGEZOCVXQBR-LURJTMIESA-N -2 3 389.359 3.126 20 0 GGADHL CSc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC001599819734 988491064 /nfs/dbraw/zinc/49/10/64/988491064.db2.gz FTIVRJYGMVPADJ-CQSZACIVSA-N -2 3 396.262 3.432 20 0 GGADHL CSc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccccc2Br)c1 ZINC001599820368 988502742 /nfs/dbraw/zinc/50/27/42/988502742.db2.gz WFQUHDAOXGISSM-AWEZNQCLSA-N -2 3 396.262 3.432 20 0 GGADHL CCc1nc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)sc1C(=O)[O-] ZINC001597682336 988822204 /nfs/dbraw/zinc/82/22/04/988822204.db2.gz VSIDLFYAFCMCFE-UHFFFAOYSA-N -2 3 399.428 3.341 20 0 GGADHL CCc1ncc(S(=O)(=O)[N-]Cc2c3ccccc3sc2C(=O)[O-])s1 ZINC001597702847 988933280 /nfs/dbraw/zinc/93/32/80/988933280.db2.gz OMRIWLGNZGIJPT-UHFFFAOYSA-N -2 3 382.488 3.097 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)s1 ZINC001590319403 989756098 /nfs/dbraw/zinc/75/60/98/989756098.db2.gz FNDACILDHBKHDX-LBPRGKRZSA-N -2 3 395.412 3.185 20 0 GGADHL CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H](COC1CCC1)C(=O)[O-] ZINC001598078562 990387184 /nfs/dbraw/zinc/38/71/84/990387184.db2.gz DBRGTRPUJAFEGS-GOSISDBHSA-N -2 3 385.416 3.279 20 0 GGADHL COc1cccc2c(C(=O)OCc3coc(-c4ccc(C(=O)[O-])cc4)n3)n[n-]c21 ZINC001599689165 991037061 /nfs/dbraw/zinc/03/70/61/991037061.db2.gz DGPDXONJNBLOAX-UHFFFAOYSA-N -2 3 393.355 3.282 20 0 GGADHL COc1cccc2c(C(=O)OCc3coc(-c4ccc(C(=O)[O-])cc4)n3)[n-]nc21 ZINC001599689165 991037071 /nfs/dbraw/zinc/03/70/71/991037071.db2.gz DGPDXONJNBLOAX-UHFFFAOYSA-N -2 3 393.355 3.282 20 0 GGADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc(C(C)(C)C)cc1 ZINC001591032808 991341325 /nfs/dbraw/zinc/34/13/25/991341325.db2.gz BKNHUNIANCMFGL-INIZCTEOSA-N -2 3 380.466 3.346 20 0 GGADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)c1ccccc1F ZINC001591034113 991351428 /nfs/dbraw/zinc/35/14/28/991351428.db2.gz ZTHJPLNSZHNGPA-ZDUSSCGKSA-N -2 3 375.805 3.446 20 0 GGADHL COc1ccccc1C[C@H](CNC(=O)c1cc2sccc2c([O-])c1)C(=O)[O-] ZINC001599710322 991359892 /nfs/dbraw/zinc/35/98/92/991359892.db2.gz RFYDHNQKCMCMCN-CQSZACIVSA-N -2 3 385.441 3.289 20 0 GGADHL CC(C)CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001591217436 992073462 /nfs/dbraw/zinc/07/34/62/992073462.db2.gz IDIRTOONJFCDEU-VIFPVBQESA-N -2 3 396.278 3.389 20 0 GGADHL CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1F ZINC001591560928 992760636 /nfs/dbraw/zinc/76/06/36/992760636.db2.gz SAIXHUCVXWMROF-UHFFFAOYSA-N -2 3 384.404 3.308 20 0 GGADHL C[C@](NC(=O)c1cc(F)cc2n[n-]nc21)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593154857 993965319 /nfs/dbraw/zinc/96/53/19/993965319.db2.gz JUIMURIXFAJZFU-MRXNPFEDSA-N -2 3 397.193 3.134 20 0 GGADHL C[C@@](NC(=O)c1cnc(C2CC2)[n-]c1=O)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593184154 994087055 /nfs/dbraw/zinc/08/70/55/994087055.db2.gz ZPGYCXAPSXRONF-KRWDZBQOSA-N -2 3 396.230 3.096 20 0 GGADHL COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1scc(C(=O)[O-])c1C)CC2 ZINC001599626606 994157854 /nfs/dbraw/zinc/15/78/54/994157854.db2.gz YWNIUJDSKZDPCE-UHFFFAOYSA-N -2 3 379.459 3.492 20 0 GGADHL COc1cccc([C@H](C(=O)[O-])N(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)c1 ZINC001599648918 994466033 /nfs/dbraw/zinc/46/60/33/994466033.db2.gz AHZXRMZDLIWOAE-LJQANCHMSA-N -2 3 379.416 3.116 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)c1c(F)cccc1Cl ZINC001593326329 994876345 /nfs/dbraw/zinc/87/63/45/994876345.db2.gz KBRZTMDMHIBEDL-ZCFIWIBFSA-N -2 3 382.196 3.463 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593336901 994918345 /nfs/dbraw/zinc/91/83/45/994918345.db2.gz DJDVBZPOUVZVSE-SMDDNHRTSA-N -2 3 385.844 3.089 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC001593337888 994927024 /nfs/dbraw/zinc/92/70/24/994927024.db2.gz YTSMAMXWIVMBFH-LURJTMIESA-N -2 3 398.359 3.039 20 0 GGADHL CC([N-]S(=O)(=O)c1csnc1C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC001593347384 994954418 /nfs/dbraw/zinc/95/44/18/994954418.db2.gz ISQNXHUJBSOPDJ-UHFFFAOYSA-N -2 3 388.470 3.083 20 0 GGADHL CC([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)(C1CC1)C1CC1 ZINC001593347327 994954913 /nfs/dbraw/zinc/95/49/13/994954913.db2.gz GTCAYRUPEUDRLO-UHFFFAOYSA-N -2 3 394.312 3.066 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC001593347727 994960474 /nfs/dbraw/zinc/96/04/74/994960474.db2.gz RJTRATLHCNPKJB-CQSZACIVSA-N -2 3 385.441 3.477 20 0 GGADHL CC1(C)C[C@@]1(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001593866285 996673017 /nfs/dbraw/zinc/67/30/17/996673017.db2.gz ZYBMZPCEFHRFAB-LJQANCHMSA-N -2 3 395.427 3.309 20 0 GGADHL CC1(C)CCC[C@@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001593903317 996772210 /nfs/dbraw/zinc/77/22/10/996772210.db2.gz PXJNOZSNGMCUMF-MRVPVSSYSA-N -2 3 396.328 3.313 20 0 GGADHL CC1(C)CCC[C@@H]1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001593903446 996773598 /nfs/dbraw/zinc/77/35/98/996773598.db2.gz UGJUMFDSWCAZNK-SECBINFHSA-N -2 3 394.287 3.235 20 0 GGADHL COC1(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)CCCCCC1 ZINC001599091031 997191492 /nfs/dbraw/zinc/19/14/92/997191492.db2.gz ZBHHBKZRMYUUQI-UHFFFAOYSA-N -2 3 393.864 3.195 20 0 GGADHL COc1cc(CN(CC(=O)[O-])C(=O)c2cc([O-])c3ccccc3c2)cc(OC)c1 ZINC001599405230 997284237 /nfs/dbraw/zinc/28/42/37/997284237.db2.gz VEWBEGZSCNISQA-UHFFFAOYSA-N -2 3 395.411 3.290 20 0 GGADHL COC(=O)c1cnc(SCc2csc(-c3cccc(C(=O)[O-])c3)n2)[n-]1 ZINC001598916670 997482821 /nfs/dbraw/zinc/48/28/21/997482821.db2.gz HBVOEOJMRMCXBL-UHFFFAOYSA-N -2 3 375.431 3.310 20 0 GGADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2Br)CCCC1 ZINC001594028254 997585952 /nfs/dbraw/zinc/58/59/52/997585952.db2.gz YXWWDORWPJNBPW-UHFFFAOYSA-N -2 3 394.262 3.145 20 0 GGADHL COCCC1(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)CCCC1 ZINC001599218390 997623124 /nfs/dbraw/zinc/62/31/24/997623124.db2.gz HMAPHXSVLSSQAU-UHFFFAOYSA-N -2 3 393.864 3.053 20 0 GGADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC001594053975 997779999 /nfs/dbraw/zinc/77/99/99/997779999.db2.gz YZTWGAKNUJXXOO-GOSISDBHSA-N -2 3 396.365 3.288 20 0 GGADHL C[C@@]1([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCCC[C@H]1C(=O)[O-] ZINC001594066096 997878564 /nfs/dbraw/zinc/87/85/64/997878564.db2.gz PKPJZHVSKGSEHU-SUMWQHHRSA-N -2 3 380.491 3.122 20 0 GGADHL COc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)ccc1C(=O)[O-] ZINC001599439774 997912417 /nfs/dbraw/zinc/91/24/17/997912417.db2.gz IDFNVHNOFVKUBY-UHFFFAOYSA-N -2 3 395.209 3.183 20 0 GGADHL COc1cc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)ccc1C(=O)[O-] ZINC001599347230 998028234 /nfs/dbraw/zinc/02/82/34/998028234.db2.gz TZDFMFXVJXNTGS-UHFFFAOYSA-N -2 3 393.168 3.199 20 0 GGADHL COc1cc(C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])cc(OC)c1[O-] ZINC001599353018 998128495 /nfs/dbraw/zinc/12/84/95/998128495.db2.gz FWHUHBBUZYXNKL-RHSMWYFYSA-N -2 3 399.443 3.103 20 0 GGADHL COC(=O)c1sc2[n-]c(CSCCCC(C)C)nc(=O)c2c1CC(=O)[O-] ZINC001599022276 998990444 /nfs/dbraw/zinc/99/04/44/998990444.db2.gz VDVXJYFPHKSVEI-UHFFFAOYSA-N -2 3 398.506 3.068 20 0 GGADHL C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)o1 ZINC001594280019 999086321 /nfs/dbraw/zinc/08/63/21/999086321.db2.gz NTMNZNNXQLKOHS-WCBMZHEXSA-N -2 3 387.816 3.372 20 0 GGADHL C[C@@H]1CC[C@@](NCc2nnc(-c3ccccc3[O-])o2)(C(=O)[O-])c2ccccc21 ZINC001594319597 999228774 /nfs/dbraw/zinc/22/87/74/999228774.db2.gz GRUYKYLTGWSSIM-ASSNKEHSSA-N -2 3 379.416 3.409 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)cc1Cl ZINC000047317933 205664908 /nfs/dbraw/zinc/66/49/08/205664908.db2.gz PSZHXTZXDMPNIG-UHFFFAOYSA-N -2 3 377.752 3.126 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2F)c(Br)s1 ZINC000032586137 206091178 /nfs/dbraw/zinc/09/11/78/206091178.db2.gz QQHRQPBCRLBBLZ-UHFFFAOYSA-N -2 3 398.206 3.288 20 0 GGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000115729850 564198497 /nfs/dbraw/zinc/19/84/97/564198497.db2.gz XQTZNXKSBPYQQZ-RKDXNWHRSA-N -2 3 384.317 3.068 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(Br)c1 ZINC000013007938 564273276 /nfs/dbraw/zinc/27/32/76/564273276.db2.gz CANNUQHEBGOXBX-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC(C)(C)c1ccc(OCC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000013310750 564275287 /nfs/dbraw/zinc/27/52/87/564275287.db2.gz GHFJJRPCQHOTQM-UHFFFAOYSA-N -2 3 383.491 3.101 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCSc2ccc(Cl)cc2)c1 ZINC000013310659 564275323 /nfs/dbraw/zinc/27/53/23/564275323.db2.gz KPSKTUZCLXBEMQ-UHFFFAOYSA-N -2 3 377.896 3.170 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C(=O)[O-] ZINC000013348952 564276319 /nfs/dbraw/zinc/27/63/19/564276319.db2.gz OZVGCKWXLFSRLE-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CCCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000121813304 564387246 /nfs/dbraw/zinc/38/72/46/564387246.db2.gz KYDSUGFTVXHOTJ-UHFFFAOYSA-N -2 3 382.869 3.328 20 0 GGADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000035085556 564415151 /nfs/dbraw/zinc/41/51/51/564415151.db2.gz QUQAAPVJGXJGTB-SNVBAGLBSA-N -2 3 384.679 3.024 20 0 GGADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000124661287 564489293 /nfs/dbraw/zinc/48/92/93/564489293.db2.gz HFJDRDKPFGFVIO-UHFFFAOYSA-N -2 3 388.898 3.129 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC000048382604 564538017 /nfs/dbraw/zinc/53/80/17/564538017.db2.gz BANQWJBEMPKGLN-UHFFFAOYSA-N -2 3 385.825 3.003 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1Br ZINC000131532827 564715092 /nfs/dbraw/zinc/71/50/92/564715092.db2.gz UIOYJLFYMOQVTQ-UHFFFAOYSA-N -2 3 390.230 3.493 20 0 GGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000063911772 564725491 /nfs/dbraw/zinc/72/54/91/564725491.db2.gz NUTPLJVQBMWNSM-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])sc1Br ZINC000135572985 564835656 /nfs/dbraw/zinc/83/56/56/564835656.db2.gz XBFVHCGREJHKNI-NOZJJQNGSA-N -2 3 396.328 3.131 20 0 GGADHL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1nnc2ccccc2c1[O-] ZINC000095446770 564898767 /nfs/dbraw/zinc/89/87/67/564898767.db2.gz OYFFXHCZRCGOND-UHFFFAOYSA-N -2 3 394.612 3.297 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000155551037 565068899 /nfs/dbraw/zinc/06/88/99/565068899.db2.gz GLAGAWOOOGYULG-ZETCQYMHSA-N -2 3 395.289 3.066 20 0 GGADHL O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)[N-]OC/C=C/Cl ZINC000291865300 565082690 /nfs/dbraw/zinc/08/26/90/565082690.db2.gz PDBFLMGIXSVMSV-UXBLZVDNSA-N -2 3 381.885 3.046 20 0 GGADHL CC[C@H](C)CO[N-]C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000292590193 565123371 /nfs/dbraw/zinc/12/33/71/565123371.db2.gz CXBCNXWDEKCVLF-NSHDSACASA-N -2 3 384.483 3.043 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000184897882 565163935 /nfs/dbraw/zinc/16/39/35/565163935.db2.gz MULQSCOWRCSSEZ-NXEZZACHSA-N -2 3 385.791 3.438 20 0 GGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000184898254 565164989 /nfs/dbraw/zinc/16/49/89/565164989.db2.gz XHMZOQSJLMFFDZ-ZJUUUORDSA-N -2 3 383.363 3.232 20 0 GGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000184898238 565165268 /nfs/dbraw/zinc/16/52/68/565165268.db2.gz XHMZOQSJLMFFDZ-NXEZZACHSA-N -2 3 383.363 3.232 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc(C(C)(C)C)cs1 ZINC000185010671 565172022 /nfs/dbraw/zinc/17/20/22/565172022.db2.gz LXFWCEXLEGLYCK-SECBINFHSA-N -2 3 386.470 3.317 20 0 GGADHL Cc1csc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)CCCC2)n1 ZINC000185025376 565172658 /nfs/dbraw/zinc/17/26/58/565172658.db2.gz ZVSIYHQUUVPTNN-UHFFFAOYSA-N -2 3 384.454 3.037 20 0 GGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C2CC2)n1 ZINC000185063317 565174941 /nfs/dbraw/zinc/17/49/41/565174941.db2.gz RPOYPOXNRDUPOT-ZDUSSCGKSA-N -2 3 386.882 3.233 20 0 GGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)C2CC2)n1 ZINC000185063560 565175398 /nfs/dbraw/zinc/17/53/98/565175398.db2.gz NBRSBPAAAMKNAH-CQSZACIVSA-N -2 3 384.454 3.027 20 0 GGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C2CC2)n1 ZINC000185063301 565175503 /nfs/dbraw/zinc/17/55/03/565175503.db2.gz RPOYPOXNRDUPOT-CYBMUJFWSA-N -2 3 386.882 3.233 20 0 GGADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)C2CC2)s1 ZINC000185067268 565176261 /nfs/dbraw/zinc/17/62/61/565176261.db2.gz ZKUIPDSNPHRVTO-HNNXBMFYSA-N -2 3 380.491 3.196 20 0 GGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1 ZINC000170787109 565393275 /nfs/dbraw/zinc/39/32/75/565393275.db2.gz PVUWYTZULYYZAJ-UHFFFAOYSA-N -2 3 377.315 3.272 20 0 GGADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000276832487 565463294 /nfs/dbraw/zinc/46/32/94/565463294.db2.gz BGXXAEBTOLUJBP-QMMMGPOBSA-N -2 3 384.679 3.024 20 0 GGADHL CCOC1CC(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C1 ZINC000276618772 565455765 /nfs/dbraw/zinc/45/57/65/565455765.db2.gz SVLGEXWMTHTSKN-UHFFFAOYSA-N -2 3 396.292 3.175 20 0 GGADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1 ZINC000172897305 565510530 /nfs/dbraw/zinc/51/05/30/565510530.db2.gz DFGUQSQGCRSBGY-UHFFFAOYSA-N -2 3 388.898 3.129 20 0 GGADHL Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000190384112 565528062 /nfs/dbraw/zinc/52/80/62/565528062.db2.gz HEUGQASKXGFWFW-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c(F)c1 ZINC000389469874 565554674 /nfs/dbraw/zinc/55/46/74/565554674.db2.gz UQULKSLTUDEVJK-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1Cl ZINC000392624967 565565657 /nfs/dbraw/zinc/56/56/57/565565657.db2.gz QUEYKHUXOYCLKW-UHFFFAOYSA-N -2 3 377.752 3.440 20 0 GGADHL COc1cc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)cc(C(=O)[O-])c1OC ZINC000393043231 565567092 /nfs/dbraw/zinc/56/70/92/565567092.db2.gz TWLQWMMYUDTFLF-UHFFFAOYSA-N -2 3 385.825 3.165 20 0 GGADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000399480679 565579145 /nfs/dbraw/zinc/57/91/45/565579145.db2.gz XOGZFIGSRWSMEG-QPUJVOFHSA-N -2 3 398.706 3.126 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c(F)c1 ZINC000314233412 565585642 /nfs/dbraw/zinc/58/56/42/565585642.db2.gz VLIXNWNFKUUVHE-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)c(F)c1 ZINC000404982366 565585982 /nfs/dbraw/zinc/58/59/82/565585982.db2.gz QDFACFBGYWVQJS-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000314277190 565586461 /nfs/dbraw/zinc/58/64/61/565586461.db2.gz JNIDDJMFUADOQK-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)CC1CC1 ZINC000405366360 565586874 /nfs/dbraw/zinc/58/68/74/565586874.db2.gz WRWHXPBVHBRWNM-SECBINFHSA-N -2 3 385.791 3.138 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000315551189 565589813 /nfs/dbraw/zinc/58/98/13/565589813.db2.gz MYNBPYYVGJLFHD-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(Br)c1 ZINC000316030006 565591258 /nfs/dbraw/zinc/59/12/58/565591258.db2.gz UNQDGOQJMCDXAZ-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000318744147 565596870 /nfs/dbraw/zinc/59/68/70/565596870.db2.gz NZCPZAGOZVRKTO-SECBINFHSA-N -2 3 396.278 3.146 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)ccc1C(=O)[O-] ZINC000319101150 565597984 /nfs/dbraw/zinc/59/79/84/565597984.db2.gz FDQKDQPESYWFAY-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1C(=O)[O-] ZINC000319733121 565599569 /nfs/dbraw/zinc/59/95/69/565599569.db2.gz WIQUQQOPSGRWTI-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)ccc1Br ZINC000319793001 565600433 /nfs/dbraw/zinc/60/04/33/565600433.db2.gz CFXXGLBNXXZGTF-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(F)cc1Br ZINC000320250669 565601721 /nfs/dbraw/zinc/60/17/21/565601721.db2.gz XEWSBILKLLDUFX-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cc(Br)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000320833322 565604547 /nfs/dbraw/zinc/60/45/47/565604547.db2.gz KJATWFZRSOJCHD-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000325413006 565621480 /nfs/dbraw/zinc/62/14/80/565621480.db2.gz UAIJNQSUNYVXLT-VIFPVBQESA-N -2 3 387.807 3.384 20 0 GGADHL O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000325932456 565622637 /nfs/dbraw/zinc/62/26/37/565622637.db2.gz XZYDMMZYOMQPQX-ZDUSSCGKSA-N -2 3 388.272 3.358 20 0 GGADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1C(=O)[O-] ZINC000327085359 565627936 /nfs/dbraw/zinc/62/79/36/565627936.db2.gz HINRZYJIOKEYDJ-UHFFFAOYSA-N -2 3 397.758 3.437 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cc1 ZINC000191879078 565638824 /nfs/dbraw/zinc/63/88/24/565638824.db2.gz IHRKGHBUEHGPKR-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)c1 ZINC000280059320 565649554 /nfs/dbraw/zinc/64/95/54/565649554.db2.gz YYYNKPHQDIUGGG-UHFFFAOYSA-N -2 3 384.841 3.253 20 0 GGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1 ZINC000192854479 565715561 /nfs/dbraw/zinc/71/55/61/565715561.db2.gz ZEDVIJWXAIIOPW-UHFFFAOYSA-N -2 3 388.214 3.016 20 0 GGADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000285004373 565882444 /nfs/dbraw/zinc/88/24/44/565882444.db2.gz HCXDBKBSVWNYTA-ZETCQYMHSA-N -2 3 394.198 3.315 20 0 GGADHL COc1cc(Br)ccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000195503326 565887493 /nfs/dbraw/zinc/88/74/93/565887493.db2.gz ZHKOAGLKFLWPRG-QPJJXVBHSA-N -2 3 393.237 3.037 20 0 GGADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(F)(F)F ZINC000285313157 565899997 /nfs/dbraw/zinc/89/99/97/565899997.db2.gz ZDSULNXRKAODMV-MRVPVSSYSA-N -2 3 393.305 3.027 20 0 GGADHL COc1cc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)c(Cl)cc1C(=O)[O-] ZINC000414333900 565912009 /nfs/dbraw/zinc/91/20/09/565912009.db2.gz WRUCIEVVTCIQAT-VIFPVBQESA-N -2 3 397.827 3.151 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000414353394 565913563 /nfs/dbraw/zinc/91/35/63/565913563.db2.gz YQBPSHWELBZKNY-GFCCVEGCSA-N -2 3 393.408 3.461 20 0 GGADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000232506294 565932507 /nfs/dbraw/zinc/93/25/07/565932507.db2.gz FVBXYLWMUXDUJH-LLVKDONJSA-N -2 3 398.706 3.270 20 0 GGADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000233032583 565933284 /nfs/dbraw/zinc/93/32/84/565933284.db2.gz ASALTQRSRWGQGI-LLVKDONJSA-N -2 3 384.679 3.024 20 0 GGADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1F ZINC000179258273 565969545 /nfs/dbraw/zinc/96/95/45/565969545.db2.gz HKYUFADVOOHJSO-UHFFFAOYSA-N -2 3 386.470 3.087 20 0 GGADHL Cc1ccc(-n2[n-]c(C(=O)Nc3cc(Br)ccc3[O-])cc2=O)cc1 ZINC000179657234 565997810 /nfs/dbraw/zinc/99/78/10/565997810.db2.gz CJTGXLCWNAJBML-UHFFFAOYSA-N -2 3 388.221 3.194 20 0 GGADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000262485884 566153502 /nfs/dbraw/zinc/15/35/02/566153502.db2.gz WMPGKQDGTDEVSH-UHFFFAOYSA-N -2 3 396.690 3.024 20 0 GGADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000263567695 566190654 /nfs/dbraw/zinc/19/06/54/566190654.db2.gz XRKFGDDQIVZQCZ-UHFFFAOYSA-N -2 3 384.679 3.024 20 0 GGADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(F)(F)F ZINC000290995676 566199464 /nfs/dbraw/zinc/19/94/64/566199464.db2.gz SFUFGWGJIATMFS-LURJTMIESA-N -2 3 399.334 3.089 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1Cl ZINC000481963757 566270948 /nfs/dbraw/zinc/27/09/48/566270948.db2.gz RVXDHGZUYNQKFK-UHFFFAOYSA-N -2 3 391.779 3.483 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccc(Br)cc2)c(F)c1 ZINC000575411109 566272193 /nfs/dbraw/zinc/27/21/93/566272193.db2.gz RMIAMGZLBLTSHT-UHFFFAOYSA-N -2 3 388.214 3.228 20 0 GGADHL CC(C)(C)CC[C@](C)([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000556416667 566298879 /nfs/dbraw/zinc/29/88/79/566298879.db2.gz QAYVQRHUAOCFNX-AWEZNQCLSA-N -2 3 382.404 3.048 20 0 GGADHL Cc1ccc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)[n-]c(=O)c2c1 ZINC000556419730 566300275 /nfs/dbraw/zinc/30/02/75/566300275.db2.gz VUNMRBUHDAQOJB-UHFFFAOYSA-N -2 3 382.221 3.446 20 0 GGADHL CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C)cc(Br)c2[O-])c1 ZINC000482671275 566325151 /nfs/dbraw/zinc/32/51/51/566325151.db2.gz IGVBAGQJWYQAPZ-UHFFFAOYSA-N -2 3 379.210 3.379 20 0 GGADHL O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C1 ZINC000576224171 566327121 /nfs/dbraw/zinc/32/71/21/566327121.db2.gz BXTWFJTZNDGLRD-GXTWGEPZSA-N -2 3 387.885 3.051 20 0 GGADHL Cc1cc(Br)c([O-])c(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000482722962 566327877 /nfs/dbraw/zinc/32/78/77/566327877.db2.gz LDUPXPTZRCFKOP-UHFFFAOYSA-N -2 3 399.266 3.087 20 0 GGADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000556776548 566330413 /nfs/dbraw/zinc/33/04/13/566330413.db2.gz PGKVKBIHBSHKHH-NSHDSACASA-N -2 3 391.898 3.101 20 0 GGADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000421148103 566349582 /nfs/dbraw/zinc/34/95/82/566349582.db2.gz DDDQBJVLCKUNRO-CYBMUJFWSA-N -2 3 383.388 3.206 20 0 GGADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000576522110 566353076 /nfs/dbraw/zinc/35/30/76/566353076.db2.gz FYUYBOCRCKSZSM-JSGCOSHPSA-N -2 3 383.363 3.156 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)c(Cl)c1Cl ZINC000536292943 566363198 /nfs/dbraw/zinc/36/31/98/566363198.db2.gz IPEFVZVVAYAVER-UHFFFAOYSA-N -2 3 390.244 3.179 20 0 GGADHL O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000577062012 566401347 /nfs/dbraw/zinc/40/13/47/566401347.db2.gz CNZAXEXFVBLWRA-BDAKNGLRSA-N -2 3 396.690 3.024 20 0 GGADHL CCc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)ccc1C(=O)[O-] ZINC000577134164 566407607 /nfs/dbraw/zinc/40/76/07/566407607.db2.gz KRYYEJWRNCJYFU-UHFFFAOYSA-N -2 3 389.260 3.128 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)c(Cl)c1Cl ZINC000577385155 566429960 /nfs/dbraw/zinc/42/99/60/566429960.db2.gz DQXRMEISQUPFFK-KWQFWETISA-N -2 3 384.281 3.026 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)c1 ZINC000537196907 566430732 /nfs/dbraw/zinc/43/07/32/566430732.db2.gz YLGRHKQKVWOGMO-UHFFFAOYSA-N -2 3 377.340 3.143 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c(F)c1 ZINC000447786404 566430906 /nfs/dbraw/zinc/43/09/06/566430906.db2.gz FTYRECAQEDXQML-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)c(Cl)c1Cl ZINC000577385151 566431123 /nfs/dbraw/zinc/43/11/23/566431123.db2.gz DQXRMEISQUPFFK-KCJUWKMLSA-N -2 3 384.281 3.026 20 0 GGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1 ZINC000447795395 566432200 /nfs/dbraw/zinc/43/22/00/566432200.db2.gz OPIAWFDCFFTECC-UHFFFAOYSA-N -2 3 379.287 3.065 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000484565236 566435736 /nfs/dbraw/zinc/43/57/36/566435736.db2.gz BJMMPBGSUXAFJR-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCCCC1 ZINC000577480750 566438629 /nfs/dbraw/zinc/43/86/29/566438629.db2.gz RXPSWCYSPLRVIO-UHFFFAOYSA-N -2 3 383.800 3.007 20 0 GGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000484611811 566440287 /nfs/dbraw/zinc/44/02/87/566440287.db2.gz ZGGFKIDNZDBDQU-UHFFFAOYSA-N -2 3 388.898 3.387 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCC[C@@H](C(=O)[O-])C3)s2)cs1 ZINC000577607376 566450063 /nfs/dbraw/zinc/45/00/63/566450063.db2.gz MQSLKHHTPKWECP-MNOVXSKESA-N -2 3 386.520 3.102 20 0 GGADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650408384 566452913 /nfs/dbraw/zinc/45/29/13/566452913.db2.gz ZQAQWZCDGGRLIR-SECBINFHSA-N -2 3 389.779 3.016 20 0 GGADHL C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)CC(=O)[O-] ZINC000650412935 566453286 /nfs/dbraw/zinc/45/32/86/566453286.db2.gz UJOSIBGGEITTME-MRVPVSSYSA-N -2 3 389.779 3.018 20 0 GGADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650421239 566454230 /nfs/dbraw/zinc/45/42/30/566454230.db2.gz PUGYYHIHQRGOEV-SECBINFHSA-N -2 3 389.779 3.160 20 0 GGADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000485036705 566470951 /nfs/dbraw/zinc/47/09/51/566470951.db2.gz TYSHKDLQMNBUPJ-MRVPVSSYSA-N -2 3 384.317 3.068 20 0 GGADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000485052874 566471955 /nfs/dbraw/zinc/47/19/55/566471955.db2.gz KECVVZGTJJRVQW-LLVKDONJSA-N -2 3 396.278 3.146 20 0 GGADHL CC(C)(C)CC[C@](C)([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000558473009 566478060 /nfs/dbraw/zinc/47/80/60/566478060.db2.gz IVCVJNWRNSKFOV-AWEZNQCLSA-N -2 3 382.404 3.048 20 0 GGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1 ZINC000485260552 566486503 /nfs/dbraw/zinc/48/65/03/566486503.db2.gz LVMFKRYSMICJJV-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(Cl)cc1C(=O)[O-] ZINC000485289679 566488198 /nfs/dbraw/zinc/48/81/98/566488198.db2.gz PJFSAOPNGQEHLS-UHFFFAOYSA-N -2 3 377.752 3.126 20 0 GGADHL CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000558588451 566490432 /nfs/dbraw/zinc/49/04/32/566490432.db2.gz DEJRXHUISPLURJ-UHFFFAOYSA-N -2 3 381.837 3.361 20 0 GGADHL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000538259150 566501552 /nfs/dbraw/zinc/50/15/52/566501552.db2.gz BDPKHRWKLUMRDE-UHFFFAOYSA-N -2 3 380.853 3.439 20 0 GGADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(=O)[O-] ZINC000424370729 566531407 /nfs/dbraw/zinc/53/14/07/566531407.db2.gz UFFIGOLLYOPLKQ-UHFFFAOYSA-N -2 3 384.281 3.171 20 0 GGADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000578754320 566551977 /nfs/dbraw/zinc/55/19/77/566551977.db2.gz YIKSGJUCYSKKET-UFBFGSQYSA-N -2 3 398.706 3.126 20 0 GGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1 ZINC000466266560 566561864 /nfs/dbraw/zinc/56/18/64/566561864.db2.gz SUYUHQOMIXQDFM-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C(Nc1ncccc1[O-])c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000539465531 566584029 /nfs/dbraw/zinc/58/40/29/566584029.db2.gz FWYLNSWNPUKAEW-UHFFFAOYSA-N -2 3 394.612 3.297 20 0 GGADHL O=C(Nc1ncccc1[O-])c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000539465531 566584037 /nfs/dbraw/zinc/58/40/37/566584037.db2.gz FWYLNSWNPUKAEW-UHFFFAOYSA-N -2 3 394.612 3.297 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCCCc2ccc(Cl)s2)c1 ZINC000560094903 566596302 /nfs/dbraw/zinc/59/63/02/566596302.db2.gz KYILPYBOZJCHGM-UHFFFAOYSA-N -2 3 379.912 3.462 20 0 GGADHL CC(C)(C)CC[C@@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000560079080 566596841 /nfs/dbraw/zinc/59/68/41/566596841.db2.gz XMMSNFRCWAGPQY-CQSZACIVSA-N -2 3 382.404 3.048 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](CCc2ccc(F)cc2)C(=O)[O-])sc1Cl ZINC000560083942 566596990 /nfs/dbraw/zinc/59/69/90/566596990.db2.gz WTGHGCWRVOYLKK-GFCCVEGCSA-N -2 3 391.873 3.213 20 0 GGADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3F)cc(Cl)c2O1 ZINC000605496962 566610056 /nfs/dbraw/zinc/61/00/56/566610056.db2.gz ZHAKUXQLBLSOPD-MRVPVSSYSA-N -2 3 385.800 3.302 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000539930436 566615039 /nfs/dbraw/zinc/61/50/39/566615039.db2.gz DHXFNYUOZXSMCU-ZETCQYMHSA-N -2 3 395.289 3.066 20 0 GGADHL Cc1oc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1C(=O)[O-] ZINC000560418458 566624176 /nfs/dbraw/zinc/62/41/76/566624176.db2.gz ATIGADKWRWHZKS-UHFFFAOYSA-N -2 3 397.758 3.437 20 0 GGADHL CCC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000579661281 566627352 /nfs/dbraw/zinc/62/73/52/566627352.db2.gz QTECFKQVIIXQAC-CYBMUJFWSA-N -2 3 389.901 3.298 20 0 GGADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000579662996 566629176 /nfs/dbraw/zinc/62/91/76/566629176.db2.gz YXMUVRCMUUTTLA-LBPRGKRZSA-N -2 3 388.898 3.241 20 0 GGADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000486889496 566632513 /nfs/dbraw/zinc/63/25/13/566632513.db2.gz WZJLQEPJXCHHSX-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000486889496 566632517 /nfs/dbraw/zinc/63/25/17/566632517.db2.gz WZJLQEPJXCHHSX-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2C(=O)[O-])s1 ZINC000629313890 566640994 /nfs/dbraw/zinc/64/09/94/566640994.db2.gz BZEGREZOFOYHJY-GXSJLCMTSA-N -2 3 396.328 3.131 20 0 GGADHL O=c1[nH]c(-c2ccc(I)c([O-])c2)nc2cc([O-])ccc12 ZINC000540630894 566662666 /nfs/dbraw/zinc/66/26/66/566662666.db2.gz ZSPZALMGLKCVBA-UHFFFAOYSA-N -2 3 380.141 3.018 20 0 GGADHL O=c1ccc2c([O-])[nH]c(-c3ccc(I)c([O-])c3)nc-2c1 ZINC000540630894 566662670 /nfs/dbraw/zinc/66/26/70/566662670.db2.gz ZSPZALMGLKCVBA-UHFFFAOYSA-N -2 3 380.141 3.018 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(Cl)cc1F ZINC000653493965 566672679 /nfs/dbraw/zinc/67/26/79/566672679.db2.gz LRRNRDLAGDBCAD-OUAUKWLOSA-N -2 3 377.865 3.201 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])c(C)o2)c(Cl)c1Cl ZINC000541002091 566686132 /nfs/dbraw/zinc/68/61/32/566686132.db2.gz ONUQYKWEQKLWLI-UHFFFAOYSA-N -2 3 394.232 3.080 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccccc2)c1Cl ZINC000515230062 566698910 /nfs/dbraw/zinc/69/89/10/566698910.db2.gz MDQLJDDSTIDLEH-LBPRGKRZSA-N -2 3 388.272 3.449 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000580638463 566710131 /nfs/dbraw/zinc/71/01/31/566710131.db2.gz YHILJSWPIDLLMK-ZBEGNZNMSA-N -2 3 383.853 3.089 20 0 GGADHL CSc1c(F)cc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1F ZINC000541305980 566713853 /nfs/dbraw/zinc/71/38/53/566713853.db2.gz DNDFAIJQWIWUTP-UHFFFAOYSA-N -2 3 388.417 3.152 20 0 GGADHL COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc(Br)c1[O-] ZINC000426791549 566730350 /nfs/dbraw/zinc/73/03/50/566730350.db2.gz ISAFCXFELLZZGB-CQSZACIVSA-N -2 3 384.201 3.218 20 0 GGADHL COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)c(Br)c1[O-] ZINC000426799483 566731416 /nfs/dbraw/zinc/73/14/16/566731416.db2.gz LAXHKXRSFDFCOS-AWEZNQCLSA-N -2 3 384.201 3.218 20 0 GGADHL COc1cc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)cc(Br)c1[O-] ZINC000426794244 566731482 /nfs/dbraw/zinc/73/14/82/566731482.db2.gz QTXRFXNZUZZZIC-LBPRGKRZSA-N -2 3 384.226 3.370 20 0 GGADHL COc1cc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc(Br)c1[O-] ZINC000426825756 566732895 /nfs/dbraw/zinc/73/28/95/566732895.db2.gz MWCFCXQKZRZICW-CQSZACIVSA-N -2 3 384.201 3.218 20 0 GGADHL CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000580890969 566733227 /nfs/dbraw/zinc/73/32/27/566733227.db2.gz UKYPRSDNOURIHN-LKFCYVNXSA-N -2 3 389.882 3.154 20 0 GGADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)CC(=O)[O-] ZINC000541909959 566759725 /nfs/dbraw/zinc/75/97/25/566759725.db2.gz ICCCVLDIVBMVQV-VIFPVBQESA-N -2 3 396.278 3.004 20 0 GGADHL COC(=O)C1(CS(=O)(=O)[N-]c2cc(Cl)cc(C)c2[O-])CCCCC1 ZINC000427246990 566760647 /nfs/dbraw/zinc/76/06/47/566760647.db2.gz WESSDXGDGYYSHS-UHFFFAOYSA-N -2 3 375.874 3.219 20 0 GGADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000581249301 566760684 /nfs/dbraw/zinc/76/06/84/566760684.db2.gz URFVHBGYRHUJJS-LBPRGKRZSA-N -2 3 392.861 3.047 20 0 GGADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427293477 566764740 /nfs/dbraw/zinc/76/47/40/566764740.db2.gz BQWSUEHHRKBPLK-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CSCc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c1 ZINC000609459826 566765371 /nfs/dbraw/zinc/76/53/71/566765371.db2.gz UAMCEDBRRHUQTK-UHFFFAOYSA-N -2 3 381.475 3.122 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1F ZINC000427331739 566767083 /nfs/dbraw/zinc/76/70/83/566767083.db2.gz QNZJHJZOMXTXAI-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL CSc1cc(O)ccc1[N-]C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000489090837 566769648 /nfs/dbraw/zinc/76/96/48/566769648.db2.gz WXGFGXFASHGPNJ-UHFFFAOYSA-N -2 3 384.479 3.036 20 0 GGADHL CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])s1 ZINC000451308785 566793098 /nfs/dbraw/zinc/79/30/98/566793098.db2.gz BJZYEAXHOIVCMZ-UHFFFAOYSA-N -2 3 395.428 3.039 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCOc3cc(Cl)ccc32)cc1C(=O)[O-] ZINC000581724169 566802345 /nfs/dbraw/zinc/80/23/45/566802345.db2.gz QSCWNOMZFMKHFU-ZDUSSCGKSA-N -2 3 385.825 3.132 20 0 GGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000517305210 566819520 /nfs/dbraw/zinc/81/95/20/566819520.db2.gz HLFYXLIYAVRUIU-MRVPVSSYSA-N -2 3 398.706 3.270 20 0 GGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000542841560 566830267 /nfs/dbraw/zinc/83/02/67/566830267.db2.gz MXSABIBABOQEPD-UWVGGRQHSA-N -2 3 396.278 3.146 20 0 GGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000542841674 566830305 /nfs/dbraw/zinc/83/03/05/566830305.db2.gz MXSABIBABOQEPD-VHSXEESVSA-N -2 3 396.278 3.146 20 0 GGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000542841675 566830337 /nfs/dbraw/zinc/83/03/37/566830337.db2.gz MXSABIBABOQEPD-ZJUUUORDSA-N -2 3 396.278 3.146 20 0 GGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000632055892 566845028 /nfs/dbraw/zinc/84/50/28/566845028.db2.gz KWCIWGJPKNRFPA-SECBINFHSA-N -2 3 396.412 3.306 20 0 GGADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000582299013 566849415 /nfs/dbraw/zinc/84/94/15/566849415.db2.gz OQWWOZYEUBINJA-LLVKDONJSA-N -2 3 393.408 3.379 20 0 GGADHL CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000563073497 566850896 /nfs/dbraw/zinc/85/08/96/566850896.db2.gz YHJXZSFWGOGYCJ-ZDUSSCGKSA-N -2 3 383.491 3.145 20 0 GGADHL CC(C)([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-])c1nccs1 ZINC000563075501 566853067 /nfs/dbraw/zinc/85/30/67/566853067.db2.gz IFIBBKVOTUIKAN-UHFFFAOYSA-N -2 3 394.396 3.074 20 0 GGADHL O=C([O-])[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000563583231 566898121 /nfs/dbraw/zinc/89/81/21/566898121.db2.gz JHIMWVFSKVFPJR-ZDUSSCGKSA-N -2 3 392.235 3.107 20 0 GGADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCC1 ZINC000582902399 566903600 /nfs/dbraw/zinc/90/36/00/566903600.db2.gz LBTKIPKVNCBMJR-UHFFFAOYSA-N -2 3 387.885 3.195 20 0 GGADHL C[C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000656519121 566908184 /nfs/dbraw/zinc/90/81/84/566908184.db2.gz FRAARHNAOAKDME-RNCFNFMXSA-N -2 3 393.408 3.302 20 0 GGADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000543770534 566908844 /nfs/dbraw/zinc/90/88/44/566908844.db2.gz ZAGIDFAFKVJCCT-VIFPVBQESA-N -2 3 396.278 3.146 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CCC(=O)[O-] ZINC000519096298 566919962 /nfs/dbraw/zinc/91/99/62/566919962.db2.gz QDOCWMZVGZYEKV-DGCLKSJQSA-N -2 3 375.874 3.051 20 0 GGADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1)C1CCCC1 ZINC000656630114 566926192 /nfs/dbraw/zinc/92/61/92/566926192.db2.gz WNKWJSQEBUJCCI-MLGOLLRUSA-N -2 3 387.523 3.199 20 0 GGADHL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cccc1C(F)(F)F ZINC000471137304 566931668 /nfs/dbraw/zinc/93/16/68/566931668.db2.gz RQDUPGKFOVQUHC-UHFFFAOYSA-N -3 3 375.324 3.218 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1Cl ZINC000544097541 566937781 /nfs/dbraw/zinc/93/77/81/566937781.db2.gz WKSNBKDSAACJBN-UHFFFAOYSA-N -2 3 391.779 3.483 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F)c[nH]1 ZINC000656724372 566937833 /nfs/dbraw/zinc/93/78/33/566937833.db2.gz MIFHEZCCYSYQOE-UHFFFAOYSA-N -2 3 396.309 3.045 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CC(=O)[O-])s1 ZINC000564051777 566940471 /nfs/dbraw/zinc/94/04/71/566940471.db2.gz ZJOUEEAUECFEGL-MWLCHTKSSA-N -2 3 396.328 3.131 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C)c(Br)cc2F)c1 ZINC000519463688 566941381 /nfs/dbraw/zinc/94/13/81/566941381.db2.gz PXFKFIUDIOGSSG-UHFFFAOYSA-N -2 3 390.230 3.412 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1cccs1 ZINC000681556437 566984702 /nfs/dbraw/zinc/98/47/02/566984702.db2.gz AZYVZHBHARUDHG-SNVBAGLBSA-N -2 3 397.371 3.400 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cccs1 ZINC000681556470 566984826 /nfs/dbraw/zinc/98/48/26/566984826.db2.gz BQRJIBMPPOQRAK-SNVBAGLBSA-N -2 3 397.371 3.400 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)c(Cl)cc1F ZINC000681558520 566985042 /nfs/dbraw/zinc/98/50/42/566985042.db2.gz RYXGBOGQVVWBDT-LLVKDONJSA-N -2 3 377.846 3.343 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cccs1 ZINC000681556469 566985176 /nfs/dbraw/zinc/98/51/76/566985176.db2.gz BQRJIBMPPOQRAK-JTQLQIEISA-N -2 3 397.371 3.400 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cc(F)ccc1F ZINC000681566343 566985316 /nfs/dbraw/zinc/98/53/16/566985316.db2.gz DIYHOEFJJYTBJJ-CYBMUJFWSA-N -2 3 396.198 3.376 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cc(F)ccc1F ZINC000681566345 566985424 /nfs/dbraw/zinc/98/54/24/566985424.db2.gz DIYHOEFJJYTBJJ-ZDUSSCGKSA-N -2 3 396.198 3.376 20 0 GGADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000564555457 566987168 /nfs/dbraw/zinc/98/71/68/566987168.db2.gz ZKMJSEWUNKBKNO-QMMMGPOBSA-N -2 3 387.788 3.239 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cc(F)ccc1F ZINC000681566744 566987225 /nfs/dbraw/zinc/98/72/25/566987225.db2.gz ONXOKMVRSFCOQJ-GFCCVEGCSA-N -2 3 396.198 3.376 20 0 GGADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000564555456 566987360 /nfs/dbraw/zinc/98/73/60/566987360.db2.gz ZKMJSEWUNKBKNO-MRVPVSSYSA-N -2 3 387.788 3.239 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000681578355 566989452 /nfs/dbraw/zinc/98/94/52/566989452.db2.gz DUJBXAJSXFZQLK-CQSZACIVSA-N -2 3 390.244 3.106 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000681578354 566989704 /nfs/dbraw/zinc/98/97/04/566989704.db2.gz DUJBXAJSXFZQLK-AWEZNQCLSA-N -2 3 390.244 3.106 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-][C@@H](CCSc2ccccc2)C(=O)[O-])c1F ZINC000520298083 566994948 /nfs/dbraw/zinc/99/49/48/566994948.db2.gz LXZGCPPMGGJZCV-AWEZNQCLSA-N -2 3 383.466 3.048 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(F)(F)F)cs1 ZINC000520298212 566995002 /nfs/dbraw/zinc/99/50/02/566995002.db2.gz RHBPOQUKOHVBKA-LLVKDONJSA-N -2 3 393.408 3.146 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000494630453 567013967 /nfs/dbraw/zinc/01/39/67/567013967.db2.gz GGAHDFYXZBFTQM-UHFFFAOYSA-N -2 3 375.324 3.127 20 0 GGADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000430392742 567014417 /nfs/dbraw/zinc/01/44/17/567014417.db2.gz YDMGQUPYNHQENO-SNVBAGLBSA-N -2 3 384.679 3.024 20 0 GGADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(Cl)cccc2Cl)s1 ZINC000564858562 567015027 /nfs/dbraw/zinc/01/50/27/567015027.db2.gz ZQIZGNZZRUDHDK-NSHDSACASA-N -2 3 395.289 3.171 20 0 GGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C2CC2)n1 ZINC000564919841 567021324 /nfs/dbraw/zinc/02/13/24/567021324.db2.gz HCLNXOBFQXJHRB-ZDUSSCGKSA-N -2 3 386.882 3.233 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c(Cl)c1 ZINC000584383260 567037729 /nfs/dbraw/zinc/03/77/29/567037729.db2.gz PEHIMLFEDKSHBY-UHFFFAOYSA-N -2 3 375.780 3.109 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])C(C)C)s2)cs1 ZINC000521039784 567038434 /nfs/dbraw/zinc/03/84/34/567038434.db2.gz PROLJTQDRUNEJX-HNNXBMFYSA-N -2 3 388.536 3.348 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000584449545 567043468 /nfs/dbraw/zinc/04/34/68/567043468.db2.gz LKSUCQSQHIEDQZ-MRXNPFEDSA-N -2 3 383.853 3.070 20 0 GGADHL CC(C)COc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000545546896 567061401 /nfs/dbraw/zinc/06/14/01/567061401.db2.gz YFCKACSGARVCMU-UHFFFAOYSA-N -2 3 383.491 3.002 20 0 GGADHL CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)C1 ZINC000545557907 567062905 /nfs/dbraw/zinc/06/29/05/567062905.db2.gz MKTRPWNZXMRIAS-RYUDHWBXSA-N -2 3 375.487 3.175 20 0 GGADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccsc2C)cc1F ZINC000634795583 567064393 /nfs/dbraw/zinc/06/43/93/567064393.db2.gz DSOMSZFAXAMOFS-UHFFFAOYSA-N -2 3 392.499 3.148 20 0 GGADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c[n-]1 ZINC000585730941 567083861 /nfs/dbraw/zinc/08/38/61/567083861.db2.gz RJNFSHRMHNZVIN-UHFFFAOYSA-N -2 3 378.237 3.002 20 0 GGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c1 ZINC000589436876 567178703 /nfs/dbraw/zinc/17/87/03/567178703.db2.gz MZFWXIPIHKMVKP-UHFFFAOYSA-N -2 3 377.809 3.025 20 0 GGADHL CC(C)C[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)CC(=O)[O-] ZINC000659398195 567213848 /nfs/dbraw/zinc/21/38/48/567213848.db2.gz RANPXNSNLLKRQT-LBPRGKRZSA-N -2 3 387.274 3.091 20 0 GGADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCCC1 ZINC000567050031 567214032 /nfs/dbraw/zinc/21/40/32/567214032.db2.gz WYCZZUSDTWMCOX-UHFFFAOYSA-N -2 3 396.690 3.026 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1Cl ZINC000590264836 567216202 /nfs/dbraw/zinc/21/62/02/567216202.db2.gz PGGOQLPQAWJYDX-UHFFFAOYSA-N -2 3 394.207 3.397 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1F ZINC000547544580 567216788 /nfs/dbraw/zinc/21/67/88/567216788.db2.gz PYYFVGDDJYGFIV-LBPRGKRZSA-N -2 3 378.208 3.237 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1F ZINC000547544579 567216989 /nfs/dbraw/zinc/21/69/89/567216989.db2.gz PYYFVGDDJYGFIV-GFCCVEGCSA-N -2 3 378.208 3.237 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000547546253 567218725 /nfs/dbraw/zinc/21/87/25/567218725.db2.gz CLFSQQBFSIRMIB-CQSZACIVSA-N -2 3 390.244 3.106 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])c(Cl)c1Cl ZINC000547565141 567221676 /nfs/dbraw/zinc/22/16/76/567221676.db2.gz JCQHVZOHAOJTDW-XHDPSFHLSA-N -2 3 396.292 3.314 20 0 GGADHL Cc1ccc(C[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)C(=O)[O-])cc1 ZINC000547565281 567221686 /nfs/dbraw/zinc/22/16/86/567221686.db2.gz LHCKMRPOAFKTGR-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])c(Cl)c1Cl ZINC000547565135 567221949 /nfs/dbraw/zinc/22/19/49/567221949.db2.gz JCQHVZOHAOJTDW-ABAIWWIYSA-N -2 3 396.292 3.314 20 0 GGADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)s1 ZINC000547569366 567223081 /nfs/dbraw/zinc/22/30/81/567223081.db2.gz PHKPGKMGCSMOMB-HNNXBMFYSA-N -2 3 382.507 3.378 20 0 GGADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000547568318 567223172 /nfs/dbraw/zinc/22/31/72/567223172.db2.gz HBGUXLMSFZLZBE-AWEZNQCLSA-N -2 3 392.235 3.107 20 0 GGADHL Cc1cc([C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C(=O)[O-])ccc1Cl ZINC000547572283 567223226 /nfs/dbraw/zinc/22/32/26/567223226.db2.gz QNJUJEBCFYACGP-AWEZNQCLSA-N -2 3 393.770 3.170 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1Cl ZINC000547570449 567223343 /nfs/dbraw/zinc/22/33/43/567223343.db2.gz WNMJHXIYXCAMAA-UHFFFAOYSA-N -2 3 377.752 3.126 20 0 GGADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(Br)s2)(CC(=O)[O-])C1 ZINC000547568348 567223633 /nfs/dbraw/zinc/22/36/33/567223633.db2.gz LTZKXLCQRZAARA-TVQRCGJNSA-N -2 3 396.328 3.070 20 0 GGADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)s1 ZINC000547569383 567223652 /nfs/dbraw/zinc/22/36/52/567223652.db2.gz PHKPGKMGCSMOMB-OAHLLOKOSA-N -2 3 382.507 3.378 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1cc(F)ccc1F ZINC000684655685 567225249 /nfs/dbraw/zinc/22/52/49/567225249.db2.gz SUGJEQPAHPQVNR-CYBMUJFWSA-N -2 3 396.198 3.376 20 0 GGADHL O=C([O-])[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547585133 567226064 /nfs/dbraw/zinc/22/60/64/567226064.db2.gz BVCIBDNGGUQJSD-AWEZNQCLSA-N -2 3 392.235 3.107 20 0 GGADHL CCCSC[C@@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000547601617 567230090 /nfs/dbraw/zinc/23/00/90/567230090.db2.gz IDJULPUNJDJHTQ-GFCCVEGCSA-N -2 3 391.898 3.269 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1c(Cl)cccc1Cl ZINC000547616219 567231454 /nfs/dbraw/zinc/23/14/54/567231454.db2.gz XGWWAQILPGEDJK-CYBMUJFWSA-N -2 3 396.198 3.376 20 0 GGADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000547611810 567231868 /nfs/dbraw/zinc/23/18/68/567231868.db2.gz HBSKMWIFKKUAOD-CQSZACIVSA-N -2 3 375.780 3.031 20 0 GGADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000547611809 567231945 /nfs/dbraw/zinc/23/19/45/567231945.db2.gz HBSKMWIFKKUAOD-AWEZNQCLSA-N -2 3 375.780 3.031 20 0 GGADHL CC(C)[C@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000547616126 567232011 /nfs/dbraw/zinc/23/20/11/567232011.db2.gz YMLVGLBJSRLDMO-LBPRGKRZSA-N -2 3 388.898 3.099 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])s1 ZINC000547618107 567233866 /nfs/dbraw/zinc/23/38/66/567233866.db2.gz VGCWDYVLABGICP-DTWKUNHWSA-N -2 3 398.344 3.377 20 0 GGADHL O=C([O-])[C@@H](CC[N-]S(=O)(=O)c1ccc(F)cc1Cl)Cc1ccccc1 ZINC000547701064 567240679 /nfs/dbraw/zinc/24/06/79/567240679.db2.gz VETZOIDHTSDQSH-ZDUSSCGKSA-N -2 3 385.844 3.091 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000567446106 567246614 /nfs/dbraw/zinc/24/66/14/567246614.db2.gz FSLOVWXHMGOAIN-RISCZKNCSA-N -2 3 375.874 3.051 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000567446107 567246763 /nfs/dbraw/zinc/24/67/63/567246763.db2.gz FSLOVWXHMGOAIN-SMDDNHRTSA-N -2 3 375.874 3.051 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cccs1 ZINC000547870195 567251628 /nfs/dbraw/zinc/25/16/28/567251628.db2.gz GCWXEEHIPDIQGK-NSHDSACASA-N -2 3 383.344 3.010 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)cc1Cl ZINC000547869339 567251916 /nfs/dbraw/zinc/25/19/16/567251916.db2.gz AHECSHCNTLNYJA-GFCCVEGCSA-N -2 3 396.273 3.168 20 0 GGADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000547873552 567253582 /nfs/dbraw/zinc/25/35/82/567253582.db2.gz NHJWXYLVOBWUPU-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c3ccccc3)s2)cs1 ZINC000547881637 567255259 /nfs/dbraw/zinc/25/52/59/567255259.db2.gz MXUHACLSKCAHQM-OAHLLOKOSA-N -2 3 394.499 3.284 20 0 GGADHL Cc1ccccc1C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000547891147 567256780 /nfs/dbraw/zinc/25/67/80/567256780.db2.gz QCVPJVMBZDWSRR-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000547887856 567256966 /nfs/dbraw/zinc/25/69/66/567256966.db2.gz BNKOPYYFDZAOFQ-JTQLQIEISA-N -2 3 388.898 3.243 20 0 GGADHL O=C([O-])[C@H](CCCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000547893656 567257933 /nfs/dbraw/zinc/25/79/33/567257933.db2.gz RBNLJRWJXMETOA-HNNXBMFYSA-N -2 3 385.844 3.234 20 0 GGADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1cc(C)sc1C ZINC000567585766 567259819 /nfs/dbraw/zinc/25/98/19/567259819.db2.gz UDZATCOCZJZDTB-VIFPVBQESA-N -2 3 387.454 3.250 20 0 GGADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1csc2ccc(Cl)cc21)C(F)F ZINC000685209781 567260559 /nfs/dbraw/zinc/26/05/59/567260559.db2.gz CKGQCFJFANIDBV-SSDOTTSWSA-N -2 3 383.825 3.189 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1c(Cl)cccc1Cl ZINC000547911739 567261862 /nfs/dbraw/zinc/26/18/62/567261862.db2.gz TVEHBOKPZYRKGM-ZDUSSCGKSA-N -2 3 396.198 3.376 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cccc(Cl)c1 ZINC000547917099 567263629 /nfs/dbraw/zinc/26/36/29/567263629.db2.gz SQCUAHAKIOFEMU-CYBMUJFWSA-N -2 3 393.770 3.252 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1F ZINC000547921808 567264139 /nfs/dbraw/zinc/26/41/39/567264139.db2.gz JKDHKKMWFSWKDI-CYBMUJFWSA-N -2 3 375.780 3.113 20 0 GGADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000547931843 567265553 /nfs/dbraw/zinc/26/55/53/567265553.db2.gz KZPXSDMHYMXFQD-KCJUWKMLSA-N -2 3 398.344 3.377 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1c(Cl)cccc1Cl ZINC000547939170 567266898 /nfs/dbraw/zinc/26/68/98/567266898.db2.gz ZUPCQXBNKNZBDX-CYBMUJFWSA-N -2 3 396.198 3.376 20 0 GGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1 ZINC000548199291 567288005 /nfs/dbraw/zinc/28/80/05/567288005.db2.gz YDHPLYMBYVXBST-OAHLLOKOSA-N -2 3 379.821 3.499 20 0 GGADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)CC(=O)[O-] ZINC000548203656 567290192 /nfs/dbraw/zinc/29/01/92/567290192.db2.gz UVIMVUPCVYVPBD-VIFPVBQESA-N -2 3 396.278 3.004 20 0 GGADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)CC(=O)[O-] ZINC000548203648 567290264 /nfs/dbraw/zinc/29/02/64/567290264.db2.gz UVIMVUPCVYVPBD-SECBINFHSA-N -2 3 396.278 3.004 20 0 GGADHL CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000591681258 567291899 /nfs/dbraw/zinc/29/18/99/567291899.db2.gz CVSDMGCPELYDIX-UHFFFAOYSA-N -2 3 388.854 3.167 20 0 GGADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000548224471 567293030 /nfs/dbraw/zinc/29/30/30/567293030.db2.gz ALDBWRYFPAUWIB-LBPRGKRZSA-N -2 3 392.235 3.107 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccccc1F ZINC000548239689 567295610 /nfs/dbraw/zinc/29/56/10/567295610.db2.gz OXFKWCLLFOYNGS-CQSZACIVSA-N -2 3 375.780 3.113 20 0 GGADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548241421 567297516 /nfs/dbraw/zinc/29/75/16/567297516.db2.gz BIUPRINCCJBALF-SNVBAGLBSA-N -2 3 396.278 3.146 20 0 GGADHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000548246946 567298617 /nfs/dbraw/zinc/29/86/17/567298617.db2.gz HYMWRYHUIXLSCU-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548262175 567300686 /nfs/dbraw/zinc/30/06/86/567300686.db2.gz HOTLPEKJIOEJMK-VHSXEESVSA-N -2 3 396.278 3.146 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000548262907 567301199 /nfs/dbraw/zinc/30/11/99/567301199.db2.gz POGOWQGLHSWEQG-ZBEGNZNMSA-N -2 3 383.853 3.089 20 0 GGADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CCC(=O)[O-] ZINC000548268437 567302753 /nfs/dbraw/zinc/30/27/53/567302753.db2.gz AUSJEVQXIMLCOT-UHFFFAOYSA-N -2 3 385.379 3.404 20 0 GGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000548292600 567305399 /nfs/dbraw/zinc/30/53/99/567305399.db2.gz ZEYLCGZYIOLNJX-MRVPVSSYSA-N -2 3 398.706 3.270 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1Br ZINC000476245997 567307713 /nfs/dbraw/zinc/30/77/13/567307713.db2.gz IJBFJTAMGGSAFZ-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000527052209 567308944 /nfs/dbraw/zinc/30/89/44/567308944.db2.gz POELNDNOGZFGRD-AWEZNQCLSA-N -2 3 389.901 3.154 20 0 GGADHL O=C([O-])c1cc([N-]S(=O)(=O)CCOCC(F)(F)F)cc(Cl)c1Cl ZINC000685901430 567309091 /nfs/dbraw/zinc/30/90/91/567309091.db2.gz KAGGWTWBRPCWID-UHFFFAOYSA-N -2 3 396.170 3.012 20 0 GGADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000527051691 567309298 /nfs/dbraw/zinc/30/92/98/567309298.db2.gz GOAAFZIHHRPKJA-KRWDZBQOSA-N -2 3 389.901 3.298 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1Br ZINC000476276401 567310556 /nfs/dbraw/zinc/31/05/56/567310556.db2.gz NJBQATAPNIPWIL-UHFFFAOYSA-N -2 3 396.262 3.437 20 0 GGADHL O=C([O-])[C@H](CC[N-]S(=O)(=O)c1cc(F)ccc1Cl)Cc1ccccc1 ZINC000548357418 567311107 /nfs/dbraw/zinc/31/11/07/567311107.db2.gz YFORAAQQMSQTOK-CYBMUJFWSA-N -2 3 385.844 3.091 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1F ZINC000548527458 567322864 /nfs/dbraw/zinc/32/28/64/567322864.db2.gz GPUSRZKUUAXHHR-CYBMUJFWSA-N -2 3 378.208 3.237 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000548538976 567324720 /nfs/dbraw/zinc/32/47/20/567324720.db2.gz GMPAJOLZAGMKRT-JTQLQIEISA-N -2 3 381.837 3.471 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2Cl)C(=O)[O-])c1F ZINC000548538006 567324992 /nfs/dbraw/zinc/32/49/92/567324992.db2.gz DDPXGEITDGHMNG-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL C[C@@H](CCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000548543763 567325631 /nfs/dbraw/zinc/32/56/31/567325631.db2.gz FHZVCJGSPQEKTP-JTQLQIEISA-N -2 3 388.898 3.243 20 0 GGADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000548541610 567325773 /nfs/dbraw/zinc/32/57/73/567325773.db2.gz ZGBMUJOHBYBART-AWEZNQCLSA-N -2 3 392.235 3.107 20 0 GGADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000548543661 567325851 /nfs/dbraw/zinc/32/58/51/567325851.db2.gz WQOXQTGBZSUKMP-GUYCJALGSA-N -2 3 380.491 3.122 20 0 GGADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000548543718 567325896 /nfs/dbraw/zinc/32/58/96/567325896.db2.gz DXHMLUNTAHQQDO-QMMMGPOBSA-N -2 3 384.679 3.024 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccc(Cl)c1 ZINC000548578363 567331759 /nfs/dbraw/zinc/33/17/59/567331759.db2.gz VPCSKUQVJVNLTA-NSHDSACASA-N -2 3 393.770 3.252 20 0 GGADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000548577829 567332521 /nfs/dbraw/zinc/33/25/21/567332521.db2.gz PAOJJMVPBHXUJQ-UHFFFAOYSA-N -2 3 377.315 3.485 20 0 GGADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000548588186 567333598 /nfs/dbraw/zinc/33/35/98/567333598.db2.gz KIDVEAKUQWBKPJ-BDAKNGLRSA-N -2 3 384.317 3.068 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])cc1Cl ZINC000548592910 567334363 /nfs/dbraw/zinc/33/43/63/567334363.db2.gz GBGOJLSYMAICOZ-VIFPVBQESA-N -2 3 384.281 3.314 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cncc(Cl)c1)c1c(Cl)cccc1Cl ZINC000548589525 567334794 /nfs/dbraw/zinc/33/47/94/567334794.db2.gz VSFDWBCRVJQVNT-LBPRGKRZSA-N -2 3 395.651 3.146 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])cc1Cl ZINC000548592909 567335371 /nfs/dbraw/zinc/33/53/71/567335371.db2.gz GBGOJLSYMAICOZ-SECBINFHSA-N -2 3 384.281 3.314 20 0 GGADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1F ZINC000548596315 567336346 /nfs/dbraw/zinc/33/63/46/567336346.db2.gz KFKSEGQBJGWKGT-CQSZACIVSA-N -2 3 393.770 3.170 20 0 GGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000548596650 567336435 /nfs/dbraw/zinc/33/64/35/567336435.db2.gz RIUCVQHAZDAZSJ-CHWSQXEVSA-N -2 3 382.507 3.368 20 0 GGADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000568579593 567340929 /nfs/dbraw/zinc/34/09/29/567340929.db2.gz YVPLUJIEOWIBPU-CQSZACIVSA-N -2 3 389.901 3.297 20 0 GGADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000569581244 567414819 /nfs/dbraw/zinc/41/48/19/567414819.db2.gz SHNTVZLNGARFLI-KRTXAFLBSA-N -2 3 385.791 3.136 20 0 GGADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c[n-]1 ZINC000618906551 567422916 /nfs/dbraw/zinc/42/29/16/567422916.db2.gz MPYCBGGAWQLWHS-UHFFFAOYSA-N -2 3 379.825 3.194 20 0 GGADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)[n-]1 ZINC000618906551 567422925 /nfs/dbraw/zinc/42/29/25/567422925.db2.gz MPYCBGGAWQLWHS-UHFFFAOYSA-N -2 3 379.825 3.194 20 0 GGADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c[n-]1 ZINC000618906755 567423278 /nfs/dbraw/zinc/42/32/78/567423278.db2.gz WLZJGAAOBCNISV-UHFFFAOYSA-N -2 3 397.762 3.059 20 0 GGADHL O=C(NC1CCC1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436553238 567435084 /nfs/dbraw/zinc/43/50/84/567435084.db2.gz FAHQRLDYWMHVNQ-UHFFFAOYSA-N -2 3 380.853 3.129 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCCCc2ccc(F)c(F)c2)c1 ZINC000478261290 567444402 /nfs/dbraw/zinc/44/44/02/567444402.db2.gz PIJALIBRLZCROI-UHFFFAOYSA-N -2 3 375.418 3.026 20 0 GGADHL O=C(N=c1[nH][n-]cc1Br)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436737963 567447746 /nfs/dbraw/zinc/44/77/46/567447746.db2.gz KWXNBMXKEDSGSP-UHFFFAOYSA-N -2 3 388.221 3.131 20 0 GGADHL O=S(=O)([N-]c1cccc([O-])c1Br)c1cnn(C2CCCC2)c1 ZINC000641689641 567450532 /nfs/dbraw/zinc/45/05/32/567450532.db2.gz QPQYQMXXIOZENI-UHFFFAOYSA-N -2 3 386.271 3.267 20 0 GGADHL O=C(Nc1cc(Br)ccc1[O-])c1nn(-c2ccccc2F)cc1[O-] ZINC000436800195 567452293 /nfs/dbraw/zinc/45/22/93/567452293.db2.gz IPSUKZVBGGPJHM-UHFFFAOYSA-N -2 3 392.184 3.437 20 0 GGADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)c1 ZINC000436844184 567456614 /nfs/dbraw/zinc/45/66/14/567456614.db2.gz DTDVLBLOISHNJC-UHFFFAOYSA-N -2 3 377.752 3.131 20 0 GGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000436894361 567464411 /nfs/dbraw/zinc/46/44/11/567464411.db2.gz QVNLVBWFYQIYMP-UHFFFAOYSA-N -3 3 379.287 3.049 20 0 GGADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000570375193 567479089 /nfs/dbraw/zinc/47/90/89/567479089.db2.gz FGEBSASCSNYITE-VIFPVBQESA-N -2 3 384.679 3.024 20 0 GGADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000551236802 567490238 /nfs/dbraw/zinc/49/02/38/567490238.db2.gz XEOJYSPHSCFGPT-OAHLLOKOSA-N -2 3 376.459 3.017 20 0 GGADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cc(F)cc2[n-]nnc21 ZINC000503528111 567491632 /nfs/dbraw/zinc/49/16/32/567491632.db2.gz ACCGJDDXMMYGHE-UHFFFAOYSA-N -2 3 385.580 3.471 20 0 GGADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cc(F)cc2nn[n-]c21 ZINC000503528111 567491640 /nfs/dbraw/zinc/49/16/40/567491640.db2.gz ACCGJDDXMMYGHE-UHFFFAOYSA-N -2 3 385.580 3.471 20 0 GGADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cc(F)cc2n[n-]nc21 ZINC000503528111 567491646 /nfs/dbraw/zinc/49/16/46/567491646.db2.gz ACCGJDDXMMYGHE-UHFFFAOYSA-N -2 3 385.580 3.471 20 0 GGADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000663294021 567491984 /nfs/dbraw/zinc/49/19/84/567491984.db2.gz PDYFGNYWORHDQS-ZETCQYMHSA-N -2 3 394.198 3.315 20 0 GGADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000643122301 567493367 /nfs/dbraw/zinc/49/33/67/567493367.db2.gz HZWYACMKDQOFJR-LLVKDONJSA-N -2 3 393.408 3.304 20 0 GGADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000570612538 567499138 /nfs/dbraw/zinc/49/91/38/567499138.db2.gz DPUWUMDRWMLVBO-QMMMGPOBSA-N -2 3 399.696 3.043 20 0 GGADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000570612537 567499742 /nfs/dbraw/zinc/49/97/42/567499742.db2.gz DPUWUMDRWMLVBO-MRVPVSSYSA-N -2 3 399.696 3.043 20 0 GGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000643297757 567505553 /nfs/dbraw/zinc/50/55/53/567505553.db2.gz GAWSJJDCDVODMW-QMMMGPOBSA-N -2 3 385.816 3.109 20 0 GGADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000643297672 567505608 /nfs/dbraw/zinc/50/56/08/567505608.db2.gz VHPRTFVWDBAWRT-DOMZBBRYSA-N -2 3 397.827 3.253 20 0 GGADHL O=C([N-]c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)c1sccc1F ZINC000551430165 567505815 /nfs/dbraw/zinc/50/58/15/567505815.db2.gz WGVPKONHVHPWSM-UHFFFAOYSA-N -2 3 392.836 3.373 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)c1nc(C(F)(F)F)cs1 ZINC000663426229 567507384 /nfs/dbraw/zinc/50/73/84/567507384.db2.gz XCCHJYLHTKWWMC-ZETCQYMHSA-N -2 3 398.384 3.191 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC000479259707 567518664 /nfs/dbraw/zinc/51/86/64/567518664.db2.gz YVOJELXJUCRXLF-UHFFFAOYSA-N -3 3 383.809 3.154 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479261252 567518670 /nfs/dbraw/zinc/51/86/70/567518670.db2.gz RUOVUKXFKBTSOX-UHFFFAOYSA-N -3 3 383.809 3.154 20 0 GGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551595806 567523582 /nfs/dbraw/zinc/52/35/82/567523582.db2.gz JONLSBKXZVPYCV-UHFFFAOYSA-N -2 3 384.679 3.026 20 0 GGADHL CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000551911985 567541878 /nfs/dbraw/zinc/54/18/78/567541878.db2.gz WZMRHQJQMZSCQX-SNVBAGLBSA-N -2 3 387.807 3.395 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC(C)(C)C2)s1 ZINC000551911386 567542247 /nfs/dbraw/zinc/54/22/47/567542247.db2.gz APLUEVUNVYTXAT-ZDUSSCGKSA-N -2 3 396.328 3.131 20 0 GGADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)o1 ZINC000551910923 567542531 /nfs/dbraw/zinc/54/25/31/567542531.db2.gz KALLGZAWSUUACS-UHFFFAOYSA-N -2 3 383.731 3.129 20 0 GGADHL COc1ccc(Br)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000504713560 567545573 /nfs/dbraw/zinc/54/55/73/567545573.db2.gz XHJZTYFMWSRGBL-ZZXKWVIFSA-N -2 3 379.210 3.059 20 0 GGADHL COc1sc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1Br ZINC000504711838 567545910 /nfs/dbraw/zinc/54/59/10/567545910.db2.gz KYAQHAAPJVTQJP-ARJAWSKDSA-N -2 3 385.239 3.121 20 0 GGADHL O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000571262818 567548942 /nfs/dbraw/zinc/54/89/42/567548942.db2.gz WCNUCNCOOMGRTR-AWEZNQCLSA-N -2 3 388.272 3.358 20 0 GGADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)C(F)(F)F ZINC000551996695 567549560 /nfs/dbraw/zinc/54/95/60/567549560.db2.gz HYNSHTIEAUMKAY-SECBINFHSA-N -2 3 395.786 3.425 20 0 GGADHL Cc1n[n-]cc1C(=O)N=c1cc(-c2cc(Br)ccc2Cl)[n-][nH]1 ZINC000439173880 567569100 /nfs/dbraw/zinc/56/91/00/567569100.db2.gz VAMPVBZVPHWWMO-UHFFFAOYSA-N -2 3 380.633 3.198 20 0 GGADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C1(C)CCC(F)(F)CC1 ZINC000530155165 567575810 /nfs/dbraw/zinc/57/58/10/567575810.db2.gz ZGZRXDJKUZZJSB-UHFFFAOYSA-N -2 3 397.827 3.293 20 0 GGADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000571847697 567594257 /nfs/dbraw/zinc/59/42/57/567594257.db2.gz IHRTTXDJQQHEOQ-UHFFFAOYSA-N -2 3 379.821 3.358 20 0 GGADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)ccc1C(=O)[O-] ZINC000530383426 567597799 /nfs/dbraw/zinc/59/77/99/567597799.db2.gz XFIOIUJDVLNLSQ-UHFFFAOYSA-N -2 3 393.223 3.013 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccccc1F ZINC000530382549 567598442 /nfs/dbraw/zinc/59/84/42/567598442.db2.gz SWUNBWSWYSNULD-ZDUSSCGKSA-N -2 3 396.198 3.376 20 0 GGADHL Cc1oc(C)c(S(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000505840537 567599897 /nfs/dbraw/zinc/59/98/97/567599897.db2.gz YWSDVUMLIXUOQK-UHFFFAOYSA-N -2 3 393.795 3.318 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)sc1Cl ZINC000530435331 567601239 /nfs/dbraw/zinc/60/12/39/567601239.db2.gz PXCHSWUASMQIOD-LLVKDONJSA-N -2 3 380.274 3.468 20 0 GGADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000530472939 567604006 /nfs/dbraw/zinc/60/40/06/567604006.db2.gz KKKLJGKISDEPJT-LLVKDONJSA-N -2 3 385.791 3.281 20 0 GGADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000530526676 567607928 /nfs/dbraw/zinc/60/79/28/567607928.db2.gz PIQFTQXVXHBJKW-GFCCVEGCSA-N -2 3 396.690 3.024 20 0 GGADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000530526628 567608975 /nfs/dbraw/zinc/60/89/75/567608975.db2.gz GBVDORMBPVGAIB-LLVKDONJSA-N -2 3 385.791 3.281 20 0 GGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)ccc1[O-] ZINC000480735287 567624876 /nfs/dbraw/zinc/62/48/76/567624876.db2.gz SDLBGERTTZGHOJ-UHFFFAOYSA-N -2 3 377.447 3.070 20 0 GGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1 ZINC000531145107 567643619 /nfs/dbraw/zinc/64/36/19/567643619.db2.gz UOCPGZJFLRTKPV-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])c1c(F)cc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1F ZINC000572553035 567647929 /nfs/dbraw/zinc/64/79/29/567647929.db2.gz KIFOQAZVDOXBKJ-UHFFFAOYSA-N -2 3 396.198 3.448 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)s2)cc1C(=O)[O-] ZINC000572757787 567662990 /nfs/dbraw/zinc/66/29/90/567662990.db2.gz VIJPJMKEQBFMMI-LURJTMIESA-N -2 3 394.268 3.150 20 0 GGADHL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1 ZINC000481468018 567679351 /nfs/dbraw/zinc/67/93/51/567679351.db2.gz QHGDECSMYSUCNK-UHFFFAOYSA-N -2 3 385.800 3.327 20 0 GGADHL CSCCc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1 ZINC000481582549 567689086 /nfs/dbraw/zinc/68/90/86/567689086.db2.gz RYHOOYKZOTWYRG-UHFFFAOYSA-N -2 3 380.491 3.057 20 0 GGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(Br)c2)c1C(=O)[O-] ZINC000532025158 567693059 /nfs/dbraw/zinc/69/30/59/567693059.db2.gz NMHMQHOEEJHCOC-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000573255163 567699513 /nfs/dbraw/zinc/69/95/13/567699513.db2.gz MZZMECXWDBINET-SECBINFHSA-N -2 3 384.679 3.024 20 0 GGADHL COc1cc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)c(Cl)cc1C(=O)[O-] ZINC000507757557 567703647 /nfs/dbraw/zinc/70/36/47/567703647.db2.gz VBOAPTHRXMIMSK-VIFPVBQESA-N -2 3 397.827 3.151 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](c1ccccc1C)C(C)C ZINC000573483608 567716805 /nfs/dbraw/zinc/71/68/05/567716805.db2.gz OBCIDBPDJDPQFT-HNNXBMFYSA-N -2 3 383.491 3.439 20 0 GGADHL COc1ccc([O-])c([N-]S(=O)(=O)CCc2ccccc2Br)c1 ZINC000461346427 567731245 /nfs/dbraw/zinc/73/12/45/567731245.db2.gz YNSNTMUKGGCVQL-UHFFFAOYSA-N -2 3 386.267 3.148 20 0 GGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000554532671 567734822 /nfs/dbraw/zinc/73/48/22/567734822.db2.gz UZXVDYKUGZXQEI-SECBINFHSA-N -2 3 387.351 3.036 20 0 GGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000573780669 567736376 /nfs/dbraw/zinc/73/63/76/567736376.db2.gz XQUJROLRLGEDAF-MRVPVSSYSA-N -2 3 398.706 3.270 20 0 GGADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1cccc(Cl)c1F ZINC000443491825 567761019 /nfs/dbraw/zinc/76/10/19/567761019.db2.gz OZRITKIBSUUOMC-UHFFFAOYSA-N -2 3 394.649 3.426 20 0 GGADHL CCOc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1F ZINC000533896717 567791986 /nfs/dbraw/zinc/79/19/86/567791986.db2.gz LKRMUHHVPYDQDP-UHFFFAOYSA-N -2 3 375.324 3.002 20 0 GGADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000574781577 567797730 /nfs/dbraw/zinc/79/77/30/567797730.db2.gz OCWTWUBVHGITPH-AWEZNQCLSA-N -2 3 387.885 3.051 20 0 GGADHL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000534239588 567805073 /nfs/dbraw/zinc/80/50/73/567805073.db2.gz YBVUBZOZDGFHLF-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)c1nc(C(F)(F)F)cs1 ZINC000575043282 567810528 /nfs/dbraw/zinc/81/05/28/567810528.db2.gz SJAXLXIYVFLTBW-SSDOTTSWSA-N -2 3 398.384 3.191 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(F)c1 ZINC000048230880 570223565 /nfs/dbraw/zinc/22/35/65/570223565.db2.gz SNBFAGNSFRMHLE-UHFFFAOYSA-N -2 3 378.425 3.233 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ncccc3[O-])cc2)cc1C ZINC000022264631 570311486 /nfs/dbraw/zinc/31/14/86/570311486.db2.gz KRZFPLUTRWRHPN-UHFFFAOYSA-N -2 3 397.456 3.457 20 0 GGADHL COc1ccc(C=C(CC(=O)[O-])c2nc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000737083867 599153383 /nfs/dbraw/zinc/15/33/83/599153383.db2.gz PWKFFHCLEYYCOM-XYOKQWHBSA-N -2 3 377.360 3.032 20 0 GGADHL COc1ccc(C=C(CC(=O)[O-])c2nc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000737083867 599153385 /nfs/dbraw/zinc/15/33/85/599153385.db2.gz PWKFFHCLEYYCOM-XYOKQWHBSA-N -2 3 377.360 3.032 20 0 GGADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc(C2CCCCC2)cc1 ZINC000738345495 598638664 /nfs/dbraw/zinc/63/86/64/598638664.db2.gz OQVMDCDZPNQOOA-UHFFFAOYSA-N -2 3 384.465 3.110 20 0 GGADHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000737325232 599559956 /nfs/dbraw/zinc/55/99/56/599559956.db2.gz BMSULXWEUFCWJS-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000737325232 599559957 /nfs/dbraw/zinc/55/99/57/599559957.db2.gz BMSULXWEUFCWJS-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)ccc1O ZINC000740089972 599739854 /nfs/dbraw/zinc/73/98/54/599739854.db2.gz QWFLBLOTDONYMY-UHFFFAOYSA-N -2 3 396.852 3.145 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2cccs2)c2ccc(F)cc2)o1 ZINC000326704792 599767485 /nfs/dbraw/zinc/76/74/85/599767485.db2.gz XEWYBQHYOUYGOH-HNNXBMFYSA-N -2 3 381.406 3.246 20 0 GGADHL CC(C)Oc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000565597984 599772235 /nfs/dbraw/zinc/77/22/35/599772235.db2.gz QDCBRMNJRPJISO-CYBMUJFWSA-N -2 3 381.450 3.065 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(COc3ccccc3)c2)o1 ZINC000740176480 599773642 /nfs/dbraw/zinc/77/36/42/599773642.db2.gz HIPQNZQEQRJRFO-UHFFFAOYSA-N -2 3 387.413 3.035 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCCCC2)o1 ZINC000740175331 599773960 /nfs/dbraw/zinc/77/39/60/599773960.db2.gz PASKMDDZPSMJIX-UHFFFAOYSA-N -2 3 381.425 3.297 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1cccc(C(F)(F)F)c1 ZINC000736323898 599777926 /nfs/dbraw/zinc/77/79/26/599777926.db2.gz NSHJJARYTTWBTF-UHFFFAOYSA-N -2 3 391.367 3.253 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1nc(-c2ccccc2)cs1 ZINC000736670071 599779181 /nfs/dbraw/zinc/77/91/81/599779181.db2.gz HMUPIHHIGUPSTN-JTQLQIEISA-N -2 3 378.431 3.141 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](COc2ccccc2)c2ccccc2)o1 ZINC000740174441 599780753 /nfs/dbraw/zinc/78/07/53/599780753.db2.gz YTYODHIASNEQIX-INIZCTEOSA-N -2 3 387.413 3.076 20 0 GGADHL COc1ccc([C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C(=O)[O-])cc1 ZINC000737973309 599800172 /nfs/dbraw/zinc/80/01/72/599800172.db2.gz ZRJOFRRKOMWITF-NSHDSACASA-N -2 3 396.273 3.168 20 0 GGADHL CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000185005444 599802562 /nfs/dbraw/zinc/80/25/62/599802562.db2.gz RSMAOFOAXHRZPF-UHFFFAOYSA-N -2 3 388.898 3.271 20 0 GGADHL COc1ccc([C@@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)C(=O)[O-])cc1 ZINC000737967803 599856828 /nfs/dbraw/zinc/85/68/28/599856828.db2.gz DMOXAWVEPPTICG-MRXNPFEDSA-N -2 3 379.372 3.006 20 0 GGADHL COc1ccc([C@H](NCc2nc3c4ccccc4oc3c(=O)[n-]2)C(=O)[O-])cc1 ZINC000737967802 599857132 /nfs/dbraw/zinc/85/71/32/599857132.db2.gz DMOXAWVEPPTICG-INIZCTEOSA-N -2 3 379.372 3.006 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1 ZINC000738689353 599865059 /nfs/dbraw/zinc/86/50/59/599865059.db2.gz MHGXGXMMUMNYNE-UHFFFAOYSA-N -2 3 377.809 3.025 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000738278166 599905741 /nfs/dbraw/zinc/90/57/41/599905741.db2.gz ZVRSQWPETUUNNZ-UHFFFAOYSA-N -2 3 375.233 3.383 20 0 GGADHL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1C ZINC000675628378 599907808 /nfs/dbraw/zinc/90/78/08/599907808.db2.gz VBEGDYVZNKQKFY-UHFFFAOYSA-N -2 3 376.434 3.069 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)c(C)c1 ZINC000738069969 599926145 /nfs/dbraw/zinc/92/61/45/599926145.db2.gz UGMJITQZBPALIK-UHFFFAOYSA-N -2 3 381.475 3.122 20 0 GGADHL O=C([O-])c1ccc(OCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000740168407 599940433 /nfs/dbraw/zinc/94/04/33/599940433.db2.gz UTNURACRLDCAAK-UHFFFAOYSA-N -2 3 390.244 3.049 20 0 GGADHL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000737732700 599981848 /nfs/dbraw/zinc/98/18/48/599981848.db2.gz DTXYKENQRGKVCB-CYBMUJFWSA-N -2 3 379.434 3.048 20 0 GGADHL CCOC(=O)C(=Cc1ccc(C(=O)[O-])o1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000737128937 600024347 /nfs/dbraw/zinc/02/43/47/600024347.db2.gz FZTQDRBDWDZNKP-XFFZJAGNSA-N -2 3 388.401 3.409 20 0 GGADHL CCOC(=O)C(=Cc1ccc(C(=O)[O-])o1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000737128946 600024386 /nfs/dbraw/zinc/02/43/86/600024386.db2.gz FZTQDRBDWDZNKP-YRNVUSSQSA-N -2 3 388.401 3.409 20 0 GGADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCc3ccc(C(=O)[O-])cc3)cc2)n1 ZINC000738314854 600041678 /nfs/dbraw/zinc/04/16/78/600041678.db2.gz UKQBRZBTNZSXBP-UHFFFAOYSA-N -2 3 377.400 3.015 20 0 GGADHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1 ZINC000740135520 600104401 /nfs/dbraw/zinc/10/44/01/600104401.db2.gz MKIHPQQDMCEBTN-UHFFFAOYSA-N -2 3 380.853 3.439 20 0 GGADHL CCC[C@](C)([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000736960481 600169370 /nfs/dbraw/zinc/16/93/70/600169370.db2.gz VXYLEGDNRONPBE-HNNXBMFYSA-N -2 3 388.898 3.385 20 0 GGADHL COc1ccc(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])c([O-])c1 ZINC000737926026 600180505 /nfs/dbraw/zinc/18/05/05/600180505.db2.gz JRLCFSFOYPOSIM-KRWDZBQOSA-N -2 3 379.412 3.227 20 0 GGADHL COc1ccc(C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])c([O-])c1 ZINC000737926192 600180802 /nfs/dbraw/zinc/18/08/02/600180802.db2.gz NZWQOFSGDQSVTJ-INIZCTEOSA-N -2 3 379.412 3.227 20 0 GGADHL O=C([O-])Cc1nc([N-]C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)n[nH]1 ZINC000739899935 600181150 /nfs/dbraw/zinc/18/11/50/600181150.db2.gz WWWBYCPJEONQDK-UHFFFAOYSA-N -2 3 398.231 3.114 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Br)c(F)cc1F ZINC000740089604 600230053 /nfs/dbraw/zinc/23/00/53/600230053.db2.gz GIGFDLXOMHWIEI-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000740145411 600236899 /nfs/dbraw/zinc/23/68/99/600236899.db2.gz REIQVRSKPHZOCG-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1F ZINC000736457786 600243809 /nfs/dbraw/zinc/24/38/09/600243809.db2.gz RNGSQRRZZCXCDO-UHFFFAOYSA-N -2 3 380.441 3.098 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)ccc1O ZINC000740089298 600258645 /nfs/dbraw/zinc/25/86/45/600258645.db2.gz DGBPGJIZHHDVOM-UHFFFAOYSA-N -2 3 386.385 3.079 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1C ZINC000737209928 600299821 /nfs/dbraw/zinc/29/98/21/600299821.db2.gz CQMBNXJWPANEKF-UHFFFAOYSA-N -2 3 378.450 3.304 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)c(C)c1C ZINC000738064215 600301402 /nfs/dbraw/zinc/30/14/02/600301402.db2.gz UJNWUILCTBYBML-UHFFFAOYSA-N -2 3 378.450 3.223 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)ccc1OC(C)C ZINC000738477086 600302665 /nfs/dbraw/zinc/30/26/65/600302665.db2.gz KFEWWHPVQUHJTF-UHFFFAOYSA-N -2 3 378.450 3.351 20 0 GGADHL CN(C)Cc1ccccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000737371024 600359972 /nfs/dbraw/zinc/35/99/72/600359972.db2.gz WUMYAUJTOMOWSF-UHFFFAOYSA-N -2 3 390.486 3.462 20 0 GGADHL O=C([O-])c1sc2ccccc2c1CNC(=O)c1nnc2ccccc2c1[O-] ZINC000740280096 600362894 /nfs/dbraw/zinc/36/28/94/600362894.db2.gz HPCHBIJPLVEAPV-UHFFFAOYSA-N -2 3 379.397 3.178 20 0 GGADHL CC(C)(C)c1ccc([C@@H](CC(=O)[O-])N/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000736296974 600394668 /nfs/dbraw/zinc/39/46/68/600394668.db2.gz AZAOJVPPVYGLAR-HJDVLLJCSA-N -2 3 392.455 3.401 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc1OC1CCOCC1 ZINC000738464023 600396537 /nfs/dbraw/zinc/39/65/37/600396537.db2.gz WQZXJESUWBMACG-UHFFFAOYSA-N -2 3 391.445 3.052 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1Cl ZINC000738064024 600489042 /nfs/dbraw/zinc/48/90/42/600489042.db2.gz OUVQGWPHQVJOIX-UHFFFAOYSA-N -2 3 399.852 3.393 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1nc2ccccc2s1 ZINC000736663931 600521380 /nfs/dbraw/zinc/52/13/80/600521380.db2.gz IRFUXZOLAWHZSM-SECBINFHSA-N -2 3 380.422 3.173 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1nc2ccccc2s1 ZINC000736663932 600521458 /nfs/dbraw/zinc/52/14/58/600521458.db2.gz IRFUXZOLAWHZSM-VIFPVBQESA-N -2 3 380.422 3.173 20 0 GGADHL COCc1c2ccccc2oc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000737830176 600535945 /nfs/dbraw/zinc/53/59/45/600535945.db2.gz VBINTGLOPLTWBQ-UHFFFAOYSA-N -2 3 375.406 3.090 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1C(=O)[O-] ZINC000048382858 600543265 /nfs/dbraw/zinc/54/32/65/600543265.db2.gz GIPNSNRWXSTPTO-UHFFFAOYSA-N -2 3 379.434 3.290 20 0 GGADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000057123738 600544000 /nfs/dbraw/zinc/54/40/00/600544000.db2.gz XWDGDPGIXMSTJY-LBPRGKRZSA-N -2 3 379.434 3.372 20 0 GGADHL CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000737268036 600545553 /nfs/dbraw/zinc/54/55/53/600545553.db2.gz YCOQGWKPICWCAY-UHFFFAOYSA-N -2 3 377.462 3.466 20 0 GGADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000736293332 600590261 /nfs/dbraw/zinc/59/02/61/600590261.db2.gz WRYQLHDYTULVDK-GFCCVEGCSA-N -2 3 388.898 3.241 20 0 GGADHL O=C([O-])CCCc1nnc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC000739713010 600602851 /nfs/dbraw/zinc/60/28/51/600602851.db2.gz WIPZJNNQVZBPIU-UHFFFAOYSA-N -2 3 397.456 3.494 20 0 GGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)cc1 ZINC000175019627 600628164 /nfs/dbraw/zinc/62/81/64/600628164.db2.gz KRBTYHGJFBVFTK-UHFFFAOYSA-N -2 3 394.880 3.368 20 0 GGADHL C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)C1 ZINC000736777590 600632711 /nfs/dbraw/zinc/63/27/11/600632711.db2.gz XTIDSUHQIKMLML-IUCAKERBSA-N -2 3 394.262 3.143 20 0 GGADHL CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CCCCC1 ZINC000736738542 600633576 /nfs/dbraw/zinc/63/35/76/600633576.db2.gz OBZKGXXITAJJIR-UHFFFAOYSA-N -2 3 394.262 3.288 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C1CCCC1 ZINC000736664198 600634925 /nfs/dbraw/zinc/63/49/25/600634925.db2.gz LBPIZNBYZLAUNG-QMMMGPOBSA-N -2 3 394.262 3.143 20 0 GGADHL COC(=O)c1cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)ccc1C(=O)[O-] ZINC000831327314 600688927 /nfs/dbraw/zinc/68/89/27/600688927.db2.gz HHLUNFXHOWNGSB-UHFFFAOYSA-N -2 3 391.445 3.206 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3cccc(C(F)(F)F)c3)CCC2)o1 ZINC000645983473 600780047 /nfs/dbraw/zinc/78/00/47/600780047.db2.gz YFHILUFZVRDJMG-UHFFFAOYSA-N -2 3 389.351 3.354 20 0 GGADHL CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000828738324 600782338 /nfs/dbraw/zinc/78/23/38/600782338.db2.gz NREUWXSGDKKVTE-IUCAKERBSA-N -2 3 396.278 3.389 20 0 GGADHL Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000065223664 600812274 /nfs/dbraw/zinc/81/22/74/600812274.db2.gz MHIPLDJONRPBFO-UHFFFAOYSA-N -2 3 399.428 3.385 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cc1C(=O)[O-] ZINC000392205979 600817052 /nfs/dbraw/zinc/81/70/52/600817052.db2.gz KJRYHWZJELIHRF-UHFFFAOYSA-N -2 3 383.838 3.152 20 0 GGADHL CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000266704594 600817483 /nfs/dbraw/zinc/81/74/83/600817483.db2.gz HUPURXCXRFTYEI-UHFFFAOYSA-N -2 3 393.461 3.047 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)ccc1C(=O)[O-] ZINC000506708087 600887544 /nfs/dbraw/zinc/88/75/44/600887544.db2.gz QDYULSCNNABDJN-UHFFFAOYSA-N -2 3 391.449 3.024 20 0 GGADHL CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737137018 600888443 /nfs/dbraw/zinc/88/84/43/600888443.db2.gz SAQRJWJLRDGEHD-WDZFZDKYSA-N -2 3 389.429 3.070 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)ccc1C(=O)[O-] ZINC000506712332 600888833 /nfs/dbraw/zinc/88/88/33/600888833.db2.gz YWYZIQVWGMZIEG-MRXNPFEDSA-N -2 3 391.445 3.052 20 0 GGADHL CC(C)c1nn(C)c2sc(C(=O)[N-]c3nnc(CCCC(=O)[O-])s3)cc12 ZINC000827164523 600890986 /nfs/dbraw/zinc/89/09/86/600890986.db2.gz XVIZXDBDYVNMJG-UHFFFAOYSA-N -2 3 393.494 3.269 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)ccc1C(=O)[O-] ZINC000506624904 600891186 /nfs/dbraw/zinc/89/11/86/600891186.db2.gz QUJUBXVUYMRQOG-UHFFFAOYSA-N -2 3 391.836 3.333 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1OCC(F)F ZINC000506610600 600891608 /nfs/dbraw/zinc/89/16/08/600891608.db2.gz JEOAHPUGWMWENN-UHFFFAOYSA-N -2 3 385.388 3.446 20 0 GGADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1C ZINC000484982290 600899287 /nfs/dbraw/zinc/89/92/87/600899287.db2.gz XSJVWENVFHXNGO-UHFFFAOYSA-N -2 3 377.462 3.475 20 0 GGADHL O=C([O-])c1cc(-c2csc([N-]C(=O)c3cc(-c4ccccn4)no3)n2)c[nH]1 ZINC000833295057 600942167 /nfs/dbraw/zinc/94/21/67/600942167.db2.gz XMTUQYCILBAVNX-UHFFFAOYSA-N -2 3 381.373 3.139 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)ccc1C(=O)[O-] ZINC000832903805 600976953 /nfs/dbraw/zinc/97/69/53/600976953.db2.gz WYLHEZTYLUUPCV-UHFFFAOYSA-N -2 3 391.836 3.333 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)ccc1C(=O)[O-] ZINC000832903521 600981483 /nfs/dbraw/zinc/98/14/83/600981483.db2.gz MGLFHRJAEMPOGC-UHFFFAOYSA-N -2 3 378.425 3.233 20 0 GGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c1 ZINC000833297286 600981895 /nfs/dbraw/zinc/98/18/95/600981895.db2.gz LDKSLFVWQFRAJF-UHFFFAOYSA-N -2 3 380.853 3.439 20 0 GGADHL C[C@@H](OCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000827878894 600992248 /nfs/dbraw/zinc/99/22/48/600992248.db2.gz FWRBWAMFJCOOKK-GFCCVEGCSA-N -2 3 399.415 3.109 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCc3cc(Cl)ccc32)c1F ZINC000833294752 600994928 /nfs/dbraw/zinc/99/49/28/600994928.db2.gz HCBGLGOXDLKWFQ-LBPRGKRZSA-N -2 3 387.791 3.282 20 0 GGADHL Cc1nc(C)c(CC(=O)O[C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000832994653 601105313 /nfs/dbraw/zinc/10/53/13/601105313.db2.gz PVCSVWJKWDNOGE-CQSZACIVSA-N -2 3 385.203 3.017 20 0 GGADHL COc1ccccc1SC[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000577106727 601220564 /nfs/dbraw/zinc/22/05/64/601220564.db2.gz WELCANDCCPMJRO-LLVKDONJSA-N -2 3 399.490 3.002 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000566853716 601223765 /nfs/dbraw/zinc/22/37/65/601223765.db2.gz RSJNHOCLNQNYES-YJBOKZPZSA-N -2 3 393.461 3.041 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000566853713 601223940 /nfs/dbraw/zinc/22/39/40/601223940.db2.gz RSJNHOCLNQNYES-CRAIPNDOSA-N -2 3 393.461 3.041 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2ccc3ccccc3c2)c1F ZINC000833294869 601230582 /nfs/dbraw/zinc/23/05/82/601230582.db2.gz YIMMBVPOSBHQFD-UHFFFAOYSA-N -2 3 391.395 3.337 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2cccc3ccccc32)c1F ZINC000833294396 601230700 /nfs/dbraw/zinc/23/07/00/601230700.db2.gz RRHPJEQIKGGZNO-UHFFFAOYSA-N -2 3 391.395 3.337 20 0 GGADHL C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000326772225 601231029 /nfs/dbraw/zinc/23/10/29/601231029.db2.gz MYCLFTBHNUIVFO-SECBINFHSA-N -2 3 389.807 3.226 20 0 GGADHL CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1ccco1 ZINC000826900857 601232311 /nfs/dbraw/zinc/23/23/11/601232311.db2.gz WPWFDLJYIYYLIZ-CGQZWFTASA-N -2 3 393.461 3.070 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cccc3ccccc32)c1F ZINC000833294365 601233039 /nfs/dbraw/zinc/23/30/39/601233039.db2.gz RFEVRZBNBLKPDU-UHFFFAOYSA-N -2 3 377.368 3.295 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)(C)c1ccccc1 ZINC000827760703 601234810 /nfs/dbraw/zinc/23/48/10/601234810.db2.gz PEFSDKXJJMXEDA-LLVKDONJSA-N -2 3 383.416 3.308 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)(C)c1ccccc1 ZINC000827760704 601234864 /nfs/dbraw/zinc/23/48/64/601234864.db2.gz PEFSDKXJJMXEDA-NSHDSACASA-N -2 3 383.416 3.308 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1nc2ccccc2s1 ZINC000827760173 601235997 /nfs/dbraw/zinc/23/59/97/601235997.db2.gz FPPKMSQXHXPSFY-MRVPVSSYSA-N -2 3 398.412 3.312 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CC2)c1F ZINC000833295127 601236338 /nfs/dbraw/zinc/23/63/38/601236338.db2.gz KZBOIULLMQNANX-UHFFFAOYSA-N -2 3 399.440 3.266 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2Cc2ccccc2)c1F ZINC000833295335 601237675 /nfs/dbraw/zinc/23/76/75/601237675.db2.gz QRYIGEVODMVQLT-UKRRQHHQSA-N -2 3 395.427 3.353 20 0 GGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)c1C ZINC000014097439 601319690 /nfs/dbraw/zinc/31/96/90/601319690.db2.gz KXPVDNMQVLEIMJ-UHFFFAOYSA-N -2 3 388.445 3.151 20 0 GGADHL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(/C=C\C(=O)[O-])cc3)cc2)n1 ZINC000832880079 601322068 /nfs/dbraw/zinc/32/20/68/601322068.db2.gz NTTJOLDRSSKEEI-XGICHPGQSA-N -2 3 397.456 3.388 20 0 GGADHL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1C ZINC000825878807 601326342 /nfs/dbraw/zinc/32/63/42/601326342.db2.gz CLLSEYZOPIHNIO-XFFZJAGNSA-N -2 3 388.445 3.160 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)ccc1F ZINC000738679494 601359999 /nfs/dbraw/zinc/35/99/99/601359999.db2.gz YXJBUGXRKKTGQI-UHFFFAOYSA-N -2 3 382.388 3.064 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(Cl)cc1 ZINC000833264623 601393970 /nfs/dbraw/zinc/39/39/70/601393970.db2.gz DSKWQBCTIGMRDG-ZDUSSCGKSA-N -2 3 393.770 3.252 20 0 GGADHL Cc1cc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)oc1C(=O)[O-] ZINC000832885286 601404631 /nfs/dbraw/zinc/40/46/31/601404631.db2.gz PINDFLRWIKLXGI-UHFFFAOYSA-N -2 3 382.401 3.413 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1C(=O)[O-] ZINC000481954511 601475638 /nfs/dbraw/zinc/47/56/38/601475638.db2.gz BHOHMCJNXGPNJY-UHFFFAOYSA-N -2 3 395.408 3.265 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)ccc1O ZINC000833306043 601558317 /nfs/dbraw/zinc/55/83/17/601558317.db2.gz UGGBRKKPOSWUSM-UHFFFAOYSA-N -2 3 389.351 3.386 20 0 GGADHL Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)n1 ZINC000441712710 601558471 /nfs/dbraw/zinc/55/84/71/601558471.db2.gz GCOIPHLWPPRMLO-UHFFFAOYSA-N -2 3 385.401 3.076 20 0 GGADHL CCOC(=O)C(=Cc1c[nH]c(C(=O)[O-])c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000829818107 601791803 /nfs/dbraw/zinc/79/18/03/601791803.db2.gz QBQLNGNSSHYQLB-VZUCSPMQSA-N -2 3 387.417 3.144 20 0 GGADHL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000830519811 601830480 /nfs/dbraw/zinc/83/04/80/601830480.db2.gz WMMJARMUPONAND-UHFFFAOYSA-N -2 3 376.434 3.315 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)ccc1Cl ZINC000833304196 601844354 /nfs/dbraw/zinc/84/43/54/601844354.db2.gz VFBLXOGZAYEQOY-UHFFFAOYSA-N -2 3 395.799 3.164 20 0 GGADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000833295306 601848072 /nfs/dbraw/zinc/84/80/72/601848072.db2.gz VIGDGWSPXVQFDM-UHFFFAOYSA-N -2 3 382.388 3.064 20 0 GGADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3C)cc2F)c1 ZINC000466270180 601857253 /nfs/dbraw/zinc/85/72/53/601857253.db2.gz YFMAMSVZSFJQJQ-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000738630221 601988321 /nfs/dbraw/zinc/98/83/21/601988321.db2.gz FMEXTJVKCMHPAG-UHFFFAOYSA-N -2 3 375.446 3.436 20 0 GGADHL O=C([O-])Nc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc(C(F)(F)F)c1 ZINC000833284786 601994162 /nfs/dbraw/zinc/99/41/62/601994162.db2.gz YGHAURAIHNHMTH-UHFFFAOYSA-N -2 3 392.297 3.228 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)c1-c1nn[n-]n1 ZINC000826304093 607538321 /nfs/dbraw/zinc/53/83/21/607538321.db2.gz VVDBLQJSBBTSPQ-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)cc1 ZINC000315622471 602146446 /nfs/dbraw/zinc/14/64/46/602146446.db2.gz TUZWTDYHPVZLFD-SECBINFHSA-N -2 3 388.239 3.088 20 0 GGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c1ccccc1 ZINC000573781831 602159153 /nfs/dbraw/zinc/15/91/53/602159153.db2.gz ICXXHUOFDGPBKE-OAHLLOKOSA-N -2 3 377.393 3.027 20 0 GGADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000833317955 602169657 /nfs/dbraw/zinc/16/96/57/602169657.db2.gz BESNPXGVJVYTQP-UHFFFAOYSA-N -2 3 389.408 3.469 20 0 GGADHL CC(C)(C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000826106305 602216567 /nfs/dbraw/zinc/21/65/67/602216567.db2.gz XRTPMCURFZMRSN-HNNXBMFYSA-N -2 3 387.379 3.234 20 0 GGADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)cc2)n[nH]1 ZINC000468609526 602295230 /nfs/dbraw/zinc/29/52/30/602295230.db2.gz QOKJELNIQMXFCH-UHFFFAOYSA-N -2 3 387.417 3.318 20 0 GGADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C=CC(=O)[O-])cc3)cc2)n[nH]1 ZINC000832900488 602301469 /nfs/dbraw/zinc/30/14/69/602301469.db2.gz BMVJQFFGNYGZON-NYYWCZLTSA-N -2 3 399.428 3.409 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(OCC3CC3)c(F)c2)cc1C(=O)[O-] ZINC000582724174 602319771 /nfs/dbraw/zinc/31/97/71/602319771.db2.gz CJOCATXVYNRULP-SNVBAGLBSA-N -2 3 397.424 3.254 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)c2)n1 ZINC000830210046 604285027 /nfs/dbraw/zinc/28/50/27/604285027.db2.gz UWJYDECFFZSUBX-UHFFFAOYSA-N -2 3 380.404 3.307 20 0 GGADHL Cc1cc(NC(=O)NCc2ccc([O-])c(Br)c2)ccc1C(=O)[O-] ZINC000832895352 604334629 /nfs/dbraw/zinc/33/46/29/604334629.db2.gz SNWBSUUMZCBORS-UHFFFAOYSA-N -2 3 379.210 3.483 20 0 GGADHL O=C([O-])c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)c(F)c1 ZINC000833145623 604336205 /nfs/dbraw/zinc/33/62/05/604336205.db2.gz SDMGOLJLRFUFHY-UHFFFAOYSA-N -2 3 383.173 3.314 20 0 GGADHL O=C([O-])c1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1F ZINC000833145330 604361796 /nfs/dbraw/zinc/36/17/96/604361796.db2.gz IXELUGURCVNDDL-UHFFFAOYSA-N -2 3 383.173 3.314 20 0 GGADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(SCCC(=O)[O-])c3)ccc2O1 ZINC000833633391 604538030 /nfs/dbraw/zinc/53/80/30/604538030.db2.gz VFWXVRLWNOETJP-GFCCVEGCSA-N -2 3 393.486 3.378 20 0 GGADHL O=C([O-])c1ccc2c(c1)CN(C(=O)NCc1ccc([O-])c(Br)c1)C2 ZINC000833325336 604540485 /nfs/dbraw/zinc/54/04/85/604540485.db2.gz PXZXAQDJGHCAJB-UHFFFAOYSA-N -2 3 391.221 3.078 20 0 GGADHL CC(C)(C)c1ccc(C(C)(C)C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833449855 604566127 /nfs/dbraw/zinc/56/61/27/604566127.db2.gz CMQRRRODUXIOPQ-UHFFFAOYSA-N -2 3 396.534 3.395 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CN(CC(C)C)C2 ZINC000833748163 604625529 /nfs/dbraw/zinc/62/55/29/604625529.db2.gz VLXFYKZAXXPJNH-UHFFFAOYSA-N -2 3 388.489 3.466 20 0 GGADHL Cc1cc(Cl)n(-c2ccc(-c3nc4cc(C(=O)[O-])ccc4c(=O)[n-]3)cc2)n1 ZINC000833744404 604743467 /nfs/dbraw/zinc/74/34/67/604743467.db2.gz FRPUFCXOTBNMHT-UHFFFAOYSA-N -2 3 380.791 3.436 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)cc1C(=O)[O-] ZINC000366932924 604746828 /nfs/dbraw/zinc/74/68/28/604746828.db2.gz OLHXMCCUABUADV-UHFFFAOYSA-N -2 3 388.401 3.158 20 0 GGADHL Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000832932753 604772674 /nfs/dbraw/zinc/77/26/74/604772674.db2.gz WVZRHMAHBLTQAH-UHFFFAOYSA-N -2 3 380.491 3.151 20 0 GGADHL Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000832932754 604772898 /nfs/dbraw/zinc/77/28/98/604772898.db2.gz WYTNSBCTPDIMRQ-UHFFFAOYSA-N -2 3 380.491 3.151 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)c(C)c1 ZINC000830094638 604806540 /nfs/dbraw/zinc/80/65/40/604806540.db2.gz SQUDGKVLGUWNLX-UHFFFAOYSA-N -2 3 399.852 3.311 20 0 GGADHL CC(C)([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000833460950 605022878 /nfs/dbraw/zinc/02/28/78/605022878.db2.gz QHHZJGICLOAILQ-UHFFFAOYSA-N -2 3 395.289 3.362 20 0 GGADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000479374026 605028418 /nfs/dbraw/zinc/02/84/18/605028418.db2.gz IYENNAZIHLBTFS-UHFFFAOYSA-N -2 3 395.408 3.280 20 0 GGADHL CC(C)(C)c1ccc(C(C)(C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833450774 605076480 /nfs/dbraw/zinc/07/64/80/605076480.db2.gz ZWVIFEZMBQIVQL-UHFFFAOYSA-N -2 3 382.507 3.352 20 0 GGADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cc1F ZINC000833728639 605168789 /nfs/dbraw/zinc/16/87/89/605168789.db2.gz HRMJXTNXXYHOHE-UHFFFAOYSA-N -2 3 377.752 3.126 20 0 GGADHL CN(Cc1cc(=O)oc2cc([O-])ccc12)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694175 605242229 /nfs/dbraw/zinc/24/22/29/605242229.db2.gz CKMHQOZADFLQMU-GOSISDBHSA-N -2 3 393.317 3.174 20 0 GGADHL C[C@@]1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000833573010 605246997 /nfs/dbraw/zinc/24/69/97/605246997.db2.gz WVHPZBVADVMJRB-QMTHXVAHSA-N -2 3 383.363 3.156 20 0 GGADHL Cc1c(C(=O)[O-])sc2[n-]c(-c3cnc(Oc4ccccc4)cn3)nc(=O)c12 ZINC000833741978 605322422 /nfs/dbraw/zinc/32/24/22/605322422.db2.gz YIYWWHXIRVLDSG-UHFFFAOYSA-N -2 3 380.385 3.241 20 0 GGADHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)cc1 ZINC000833774730 605422217 /nfs/dbraw/zinc/42/22/17/605422217.db2.gz DETHJKMQEKLJAG-UHFFFAOYSA-N -2 3 386.429 3.336 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(C)C)C3)cc1C(=O)[O-] ZINC000833750815 605448166 /nfs/dbraw/zinc/44/81/66/605448166.db2.gz ALYVJZJAFLFSDJ-UHFFFAOYSA-N -2 3 388.489 3.466 20 0 GGADHL Cc1nc(C)c(CC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2Cl)c(=O)[n-]1 ZINC000833754938 605715816 /nfs/dbraw/zinc/71/58/16/605715816.db2.gz QHVHUZCFGOPZHN-AWEZNQCLSA-N -2 3 385.203 3.017 20 0 GGADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000823299112 606379755 /nfs/dbraw/zinc/37/97/55/606379755.db2.gz IDVDKJXRSFKXPZ-UHFFFAOYSA-N -2 3 394.616 3.241 20 0 GGADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000823299112 606379757 /nfs/dbraw/zinc/37/97/57/606379757.db2.gz IDVDKJXRSFKXPZ-UHFFFAOYSA-N -2 3 394.616 3.241 20 0 GGADHL O=C([O-])C1(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCCCCC1 ZINC000822935813 607121390 /nfs/dbraw/zinc/12/13/90/607121390.db2.gz OBLYFGWEUAAVFG-UHFFFAOYSA-N -2 3 377.832 3.274 20 0 GGADHL O=C([O-])C1(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCCCCC1 ZINC000822935813 607121391 /nfs/dbraw/zinc/12/13/91/607121391.db2.gz OBLYFGWEUAAVFG-UHFFFAOYSA-N -2 3 377.832 3.274 20 0 GGADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(Cl)c1F ZINC000826492673 608108205 /nfs/dbraw/zinc/10/82/05/608108205.db2.gz XKPFLLTWQCIJIV-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(Cl)c1F ZINC000826492673 608108206 /nfs/dbraw/zinc/10/82/06/608108206.db2.gz XKPFLLTWQCIJIV-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000826289143 608232653 /nfs/dbraw/zinc/23/26/53/608232653.db2.gz LYCRAEASEVFDPE-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000826289143 608232655 /nfs/dbraw/zinc/23/26/55/608232655.db2.gz LYCRAEASEVFDPE-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826237117 609524555 /nfs/dbraw/zinc/52/45/55/609524555.db2.gz OMWBMOULXRZVGU-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826237117 609524557 /nfs/dbraw/zinc/52/45/57/609524557.db2.gz OMWBMOULXRZVGU-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CC(C)C)c1 ZINC000022196748 1399443755 /nfs/dbraw/zinc/44/37/55/1399443755.db2.gz YQBUJARBZBYHKY-UHFFFAOYSA-N -2 3 378.450 3.186 20 0 GGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(F)c1 ZINC000055644770 1407039092 /nfs/dbraw/zinc/03/90/92/1407039092.db2.gz AQXLIAVEMSPNNL-UHFFFAOYSA-N -2 3 389.408 3.073 20 0 GGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(NC(C)=O)c1C ZINC000055674099 1407051207 /nfs/dbraw/zinc/05/12/07/1407051207.db2.gz MPQBSIVHQLQPRJ-UHFFFAOYSA-N -2 3 390.461 3.323 20 0 GGADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccco2)c1 ZINC000028846685 1400203654 /nfs/dbraw/zinc/20/36/54/1400203654.db2.gz LJVPNTWGXGIIIT-UHFFFAOYSA-N -2 3 388.401 3.047 20 0 GGADHL CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000042792471 1400416271 /nfs/dbraw/zinc/41/62/71/1400416271.db2.gz VYQLROJSVNNSQP-UHFFFAOYSA-N -2 3 390.461 3.459 20 0 GGADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1C ZINC000042791949 1400416450 /nfs/dbraw/zinc/41/64/50/1400416450.db2.gz KDJUDNHPPUIIPI-UHFFFAOYSA-N -2 3 376.434 3.069 20 0 GGADHL Cc1onc(CC(=O)[N-]c2nc(-c3ccc(C)cc3C)cs2)c1-c1nn[n-]n1 ZINC000826273415 1427350547 /nfs/dbraw/zinc/35/05/47/1427350547.db2.gz CORCWJDDHSLFPU-UHFFFAOYSA-N -2 3 395.448 3.085 20 0 GGADHL Cc1onc(CC(=O)[N-]c2nc(-c3ccc(C)cc3C)cs2)c1-c1nnn[n-]1 ZINC000826273415 1427350554 /nfs/dbraw/zinc/35/05/54/1427350554.db2.gz CORCWJDDHSLFPU-UHFFFAOYSA-N -2 3 395.448 3.085 20 0 GGADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc(C(F)(F)F)c1 ZINC000052471796 1406061325 /nfs/dbraw/zinc/06/13/25/1406061325.db2.gz YTJHFBQRMPHRES-UHFFFAOYSA-N -2 3 387.335 3.139 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccc2F)c2ccccc12 ZINC000057116001 1407522268 /nfs/dbraw/zinc/52/22/68/1407522268.db2.gz WXKDWZMRDGDKMX-UHFFFAOYSA-N -2 3 388.420 3.001 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ncccc3[O-])cc2)c1C ZINC000057632479 1407672491 /nfs/dbraw/zinc/67/24/91/1407672491.db2.gz AENIAYLJCQYZQK-UHFFFAOYSA-N -2 3 397.456 3.457 20 0 GGADHL CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000058457457 1407831808 /nfs/dbraw/zinc/83/18/08/1407831808.db2.gz DVPYKYNTVVXWEK-UHFFFAOYSA-N -2 3 398.868 3.034 20 0 GGADHL Cc1ccc(CCC(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)o1 ZINC000822235234 1428271321 /nfs/dbraw/zinc/27/13/21/1428271321.db2.gz YHERCPVGZMSVFB-UHFFFAOYSA-N -2 3 394.460 3.387 20 0 GGADHL Cc1ccc(CCC(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)o1 ZINC000822235234 1428271329 /nfs/dbraw/zinc/27/13/29/1428271329.db2.gz YHERCPVGZMSVFB-UHFFFAOYSA-N -2 3 394.460 3.387 20 0 GGADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1F ZINC000060353900 1407958275 /nfs/dbraw/zinc/95/82/75/1407958275.db2.gz JNACSMBTUNDBMD-UHFFFAOYSA-N -2 3 389.351 3.148 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1C(=O)[O-] ZINC000068076973 1409293420 /nfs/dbraw/zinc/29/34/20/1409293420.db2.gz LTGCDDYOLGGADN-UHFFFAOYSA-N -2 3 395.502 3.490 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823383762 1428441404 /nfs/dbraw/zinc/44/14/04/1428441404.db2.gz ZDEQFNMERDVZSN-ZSHCYNCHSA-N -2 3 380.477 3.289 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823383762 1428441410 /nfs/dbraw/zinc/44/14/10/1428441410.db2.gz ZDEQFNMERDVZSN-ZSHCYNCHSA-N -2 3 380.477 3.289 20 0 GGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(F)c2)c1 ZINC000110207088 1411837569 /nfs/dbraw/zinc/83/75/69/1411837569.db2.gz MXEWXMCPXJFFOU-UHFFFAOYSA-N -2 3 385.388 3.318 20 0 GGADHL CC(C)C1(CNC(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CC1 ZINC000820032597 1428629435 /nfs/dbraw/zinc/62/94/35/1428629435.db2.gz OGMNAUMQISTPAM-UHFFFAOYSA-N -2 3 397.508 3.472 20 0 GGADHL CC(C)C1(CNC(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CC1 ZINC000820032597 1428629438 /nfs/dbraw/zinc/62/94/38/1428629438.db2.gz OGMNAUMQISTPAM-UHFFFAOYSA-N -2 3 397.508 3.472 20 0 GGADHL CC[C@H](C(=O)[N-]c1ncc(-c2nnn[n-]2)s1)c1cccc(C(F)(F)F)c1 ZINC000820843224 1428763087 /nfs/dbraw/zinc/76/30/87/1428763087.db2.gz VRSNXMCLIMHXSQ-JTQLQIEISA-N -2 3 382.371 3.474 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)[C@@H]1CCCCS1 ZINC000826460316 1428782856 /nfs/dbraw/zinc/78/28/56/1428782856.db2.gz XOHAGYXCYFIYBV-AWEZNQCLSA-N -2 3 386.506 3.138 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)[C@@H]1CCCCS1 ZINC000826460316 1428782861 /nfs/dbraw/zinc/78/28/61/1428782861.db2.gz XOHAGYXCYFIYBV-AWEZNQCLSA-N -2 3 386.506 3.138 20 0 GGADHL O=C(CCc1ccc(-c2ccccc2F)o1)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000822974384 1428827233 /nfs/dbraw/zinc/82/72/33/1428827233.db2.gz JSSHMTNMQLJBPL-UHFFFAOYSA-N -2 3 384.396 3.294 20 0 GGADHL O=C(CCc1ccc(-c2ccccc2F)o1)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822974384 1428827239 /nfs/dbraw/zinc/82/72/39/1428827239.db2.gz JSSHMTNMQLJBPL-UHFFFAOYSA-N -2 3 384.396 3.294 20 0 GGADHL O=S(=O)(CCC1CC1)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000129947885 1416289504 /nfs/dbraw/zinc/28/95/04/1416289504.db2.gz GZJIDKKXJIDXFI-UHFFFAOYSA-N -2 3 398.481 3.168 20 0 GGADHL O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)[N-]c1nc2c(s1)CCC2 ZINC000826421166 1429110862 /nfs/dbraw/zinc/11/08/62/1429110862.db2.gz UWBPAECAGQHTMI-UHFFFAOYSA-N -2 3 392.897 3.196 20 0 GGADHL O=C(CSc1ccc(-c2nnn[n-]2)cc1Cl)[N-]c1nc2c(s1)CCC2 ZINC000826421166 1429110866 /nfs/dbraw/zinc/11/08/66/1429110866.db2.gz UWBPAECAGQHTMI-UHFFFAOYSA-N -2 3 392.897 3.196 20 0 GGADHL CN(Cc1nc(=O)c2sccc2[n-]1)Cc1cc(Br)ccc1[O-] ZINC000137006500 1417362563 /nfs/dbraw/zinc/36/25/63/1417362563.db2.gz UUJRFWUDBDZLJX-UHFFFAOYSA-N -2 3 380.267 3.085 20 0 GGADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cccc(Cl)c1[O-] ZINC000179722555 1429522587 /nfs/dbraw/zinc/52/25/87/1429522587.db2.gz DTILBUGLEWHDEX-UHFFFAOYSA-N -2 3 384.823 3.071 20 0 GGADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000153194255 1422388211 /nfs/dbraw/zinc/38/82/11/1422388211.db2.gz ZUCSNAJALQWCDY-UHFFFAOYSA-N -2 3 383.370 3.256 20 0 GGADHL Cc1cncc(C=CC(=O)[N-]c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000822399961 1423271170 /nfs/dbraw/zinc/27/11/70/1423271170.db2.gz QTENTNKTZIKAMO-UQCOIBPSSA-N -2 3 389.444 3.346 20 0 GGADHL Cc1cncc(C=CC(=O)[N-]c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000822399961 1423271175 /nfs/dbraw/zinc/27/11/75/1423271175.db2.gz QTENTNKTZIKAMO-UQCOIBPSSA-N -2 3 389.444 3.346 20 0 GGADHL CSc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000072276952 1423332892 /nfs/dbraw/zinc/33/28/92/1423332892.db2.gz BMPFQLFSCXTPOS-UHFFFAOYSA-N -2 3 381.870 3.043 20 0 GGADHL C[C@H](CC(=O)[N-]c1ncc(-c2nn[n-]n2)s1)c1ccc(C(F)(F)F)cc1 ZINC000820225562 1423677851 /nfs/dbraw/zinc/67/78/51/1423677851.db2.gz LJBLUQQYSWKPHB-MRVPVSSYSA-N -2 3 382.371 3.474 20 0 GGADHL C[C@H](CC(=O)[N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(C(F)(F)F)cc1 ZINC000820225562 1423677856 /nfs/dbraw/zinc/67/78/56/1423677856.db2.gz LJBLUQQYSWKPHB-MRVPVSSYSA-N -2 3 382.371 3.474 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)c(C)c1C(=O)[O-] ZINC000156299210 1423765408 /nfs/dbraw/zinc/76/54/08/1423765408.db2.gz CJWANZUJFOFIBY-UHFFFAOYSA-N -2 3 385.445 3.047 20 0 GGADHL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000180119291 1429745007 /nfs/dbraw/zinc/74/50/07/1429745007.db2.gz KJKQMQOGKADQDZ-UHFFFAOYSA-N -2 3 382.388 3.064 20 0 GGADHL CN(CC(C)(C)C)C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736788457 1424714430 /nfs/dbraw/zinc/71/44/30/1424714430.db2.gz KXTLKQTULGYGBZ-UHFFFAOYSA-N -2 3 385.497 3.424 20 0 GGADHL CN(CC(C)(C)C)C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736788457 1424714435 /nfs/dbraw/zinc/71/44/35/1424714435.db2.gz KXTLKQTULGYGBZ-UHFFFAOYSA-N -2 3 385.497 3.424 20 0 GGADHL Cc1nc(CC(C)C)c([N-]C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)s1 ZINC000822436459 1425163225 /nfs/dbraw/zinc/16/32/25/1425163225.db2.gz NJZBTAPVTBERLZ-NSHDSACASA-N -2 3 386.481 3.236 20 0 GGADHL Cc1nc(CC(C)C)c([N-]C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)s1 ZINC000822436459 1425163232 /nfs/dbraw/zinc/16/32/32/1425163232.db2.gz NJZBTAPVTBERLZ-NSHDSACASA-N -2 3 386.481 3.236 20 0 GGADHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736329247 1426388210 /nfs/dbraw/zinc/38/82/10/1426388210.db2.gz SJRFVOIRVOXMRY-NSHDSACASA-N -2 3 375.429 3.320 20 0 GGADHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736329247 1426388211 /nfs/dbraw/zinc/38/82/11/1426388211.db2.gz SJRFVOIRVOXMRY-NSHDSACASA-N -2 3 375.429 3.320 20 0 GGADHL COc1cccc2sc([N-]C(=O)CSc3ccccc3-c3nnn[n-]3)nc21 ZINC000821877904 1426749917 /nfs/dbraw/zinc/74/99/17/1426749917.db2.gz YSRMQYWITWPMRS-UHFFFAOYSA-N -2 3 398.473 3.216 20 0 GGADHL COc1cccc2sc([N-]C(=O)CSc3ccccc3-c3nn[n-]n3)nc21 ZINC000821877904 1426749920 /nfs/dbraw/zinc/74/99/20/1426749920.db2.gz YSRMQYWITWPMRS-UHFFFAOYSA-N -2 3 398.473 3.216 20 0 GGADHL CC[C@H]1C[C@H](C(=O)[N-]c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCO1 ZINC000825182504 1427232634 /nfs/dbraw/zinc/23/26/34/1427232634.db2.gz KKRCIZHRJKKNHB-KGLIPLIRSA-N -2 3 384.465 3.134 20 0 GGADHL CC[C@H]1C[C@H](C(=O)[N-]c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCO1 ZINC000825182504 1427232644 /nfs/dbraw/zinc/23/26/44/1427232644.db2.gz KKRCIZHRJKKNHB-KGLIPLIRSA-N -2 3 384.465 3.134 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000822267480 1427463755 /nfs/dbraw/zinc/46/37/55/1427463755.db2.gz WFVWZSQKWLBYQO-UHFFFAOYSA-N -2 3 387.465 3.072 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000822267480 1427463759 /nfs/dbraw/zinc/46/37/59/1427463759.db2.gz WFVWZSQKWLBYQO-UHFFFAOYSA-N -2 3 387.465 3.072 20 0 GGADHL CCc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821491992 1427711217 /nfs/dbraw/zinc/71/12/17/1427711217.db2.gz FMUUTACBGSOUTD-UHFFFAOYSA-N -2 3 387.465 3.017 20 0 GGADHL CCc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821491992 1427711221 /nfs/dbraw/zinc/71/12/21/1427711221.db2.gz FMUUTACBGSOUTD-UHFFFAOYSA-N -2 3 387.465 3.017 20 0 GGADHL O=C([N-]c1cc(-c2ccccc2)ns1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823238830 1430106246 /nfs/dbraw/zinc/10/62/46/1430106246.db2.gz RHWHIGSEWQTUDF-UHFFFAOYSA-N -2 3 395.423 3.451 20 0 GGADHL O=C([N-]c1cc(-c2ccccc2)ns1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823238830 1430106248 /nfs/dbraw/zinc/10/62/48/1430106248.db2.gz RHWHIGSEWQTUDF-UHFFFAOYSA-N -2 3 395.423 3.451 20 0 GGADHL O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000184311700 1430871827 /nfs/dbraw/zinc/87/18/27/1430871827.db2.gz AJZBWZFWSOPVQG-UHFFFAOYSA-N -2 3 392.814 3.381 20 0 GGADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc([O-])cc2F)c(F)c1Cl ZINC000184617415 1430920547 /nfs/dbraw/zinc/92/05/47/1430920547.db2.gz RNDQLCDTZKMODF-UHFFFAOYSA-N -2 3 394.758 3.222 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)c(F)cc1F ZINC000184891259 1431013883 /nfs/dbraw/zinc/01/38/83/1431013883.db2.gz PEGJACWGTXLWDU-UHFFFAOYSA-N -2 3 395.305 3.160 20 0 GGADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)C2CC2)s1 ZINC000185069081 1431053380 /nfs/dbraw/zinc/05/33/80/1431053380.db2.gz WAKWBJHLEYSZRS-AWEZNQCLSA-N -2 3 384.454 3.027 20 0 GGADHL O=C([N-]NC(=O)c1c(Cl)cccc1Cl)c1cc(F)c(F)c([O-])c1F ZINC000185797541 1431238262 /nfs/dbraw/zinc/23/82/62/1431238262.db2.gz DQRZSHYPHNRKFB-UHFFFAOYSA-N -2 3 379.121 3.191 20 0 GGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1cc(Br)ncc1Cl ZINC000189001208 1432025112 /nfs/dbraw/zinc/02/51/12/1432025112.db2.gz WHMLUUWHTGRTBA-UHFFFAOYSA-N -2 3 378.617 3.198 20 0 GGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1cc(Br)cnc1Cl ZINC000193510144 1433011690 /nfs/dbraw/zinc/01/16/90/1433011690.db2.gz RVEHKESTPHFKQJ-UHFFFAOYSA-N -2 3 378.617 3.198 20 0 GGADHL CN(CC1CC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000194084221 1433113950 /nfs/dbraw/zinc/11/39/50/1433113950.db2.gz IXRPOBLZSSFHGU-UHFFFAOYSA-N -2 3 394.880 3.328 20 0 GGADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)C2CC2)c1 ZINC000267248614 1434416719 /nfs/dbraw/zinc/41/67/19/1434416719.db2.gz UJNKRTFIRJVROZ-LBPRGKRZSA-N -2 3 390.461 3.186 20 0 GGADHL O=C(Cc1ccc(F)cc1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826423026 1441507624 /nfs/dbraw/zinc/50/76/24/1441507624.db2.gz VWJWYJPHPFOFBE-UHFFFAOYSA-N -2 3 380.408 3.311 20 0 GGADHL O=C(Cc1ccc(F)cc1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826423026 1441507626 /nfs/dbraw/zinc/50/76/26/1441507626.db2.gz VWJWYJPHPFOFBE-UHFFFAOYSA-N -2 3 380.408 3.311 20 0 GGADHL O=S(=O)([N-]c1ccccc1CCC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000823589027 1441860936 /nfs/dbraw/zinc/86/09/36/1441860936.db2.gz ISGYHBNGNSRXPZ-UHFFFAOYSA-N -2 3 397.382 3.162 20 0 GGADHL Cc1ccc(-c2nsc([N-]C(=O)c3ccc(-c4nn[n-]n4)cc3C)n2)s1 ZINC000826280948 1442004245 /nfs/dbraw/zinc/00/42/45/1442004245.db2.gz WYSDAEHPTHGJLQ-UHFFFAOYSA-N -2 3 383.462 3.316 20 0 GGADHL O=C(CCCOc1cccc2ccccc21)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000822959311 1442089522 /nfs/dbraw/zinc/08/95/22/1442089522.db2.gz XXCLIVZJBUVPAS-UHFFFAOYSA-N -2 3 380.433 3.274 20 0 GGADHL O=C(CCCOc1cccc2ccccc21)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822959311 1442089524 /nfs/dbraw/zinc/08/95/24/1442089524.db2.gz XXCLIVZJBUVPAS-UHFFFAOYSA-N -2 3 380.433 3.274 20 0 GGADHL C[C@@H]1C[C@H](C)N(C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000736230395 1443067570 /nfs/dbraw/zinc/06/75/70/1443067570.db2.gz TYBRHOPCOMSCGN-NEPJUHHUSA-N -2 3 383.481 3.176 20 0 GGADHL C[C@@H]1C[C@H](C)N(C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000736230395 1443067577 /nfs/dbraw/zinc/06/75/77/1443067577.db2.gz TYBRHOPCOMSCGN-NEPJUHHUSA-N -2 3 383.481 3.176 20 0 GGADHL CC[C@@H]1CCCN1C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736401288 1443256399 /nfs/dbraw/zinc/25/63/99/1443256399.db2.gz HTIWWHHHEGVIHT-CQSZACIVSA-N -2 3 383.481 3.320 20 0 GGADHL CC[C@@H]1CCCN1C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736401288 1443256400 /nfs/dbraw/zinc/25/64/00/1443256400.db2.gz HTIWWHHHEGVIHT-CQSZACIVSA-N -2 3 383.481 3.320 20 0 GGADHL C[C@@H](NC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1ccc[nH]1 ZINC000824505909 1443426132 /nfs/dbraw/zinc/42/61/32/1443426132.db2.gz JRYHHMGSQGPNKD-LLVKDONJSA-N -2 3 394.464 3.125 20 0 GGADHL C[C@@H](NC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1ccc[nH]1 ZINC000824505909 1443426135 /nfs/dbraw/zinc/42/61/35/1443426135.db2.gz JRYHHMGSQGPNKD-LLVKDONJSA-N -2 3 394.464 3.125 20 0 GGADHL C[C@@H](C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C(F)(F)F ZINC000819877395 1443548646 /nfs/dbraw/zinc/54/86/46/1443548646.db2.gz VEAGAWAXRZCEBV-QMMMGPOBSA-N -2 3 382.371 3.051 20 0 GGADHL C[C@@H](C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C(F)(F)F ZINC000819877395 1443548648 /nfs/dbraw/zinc/54/86/48/1443548648.db2.gz VEAGAWAXRZCEBV-QMMMGPOBSA-N -2 3 382.371 3.051 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)NCCCC1CC1 ZINC000738055355 1443611908 /nfs/dbraw/zinc/61/19/08/1443611908.db2.gz LRVANJFIPUGUMU-UHFFFAOYSA-N -2 3 383.481 3.226 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)NCCCC1CC1 ZINC000738055355 1443611913 /nfs/dbraw/zinc/61/19/13/1443611913.db2.gz LRVANJFIPUGUMU-UHFFFAOYSA-N -2 3 383.481 3.226 20 0 GGADHL Cc1nc(-c2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)nc2)[n-]c(=O)c1C ZINC000822418693 1443689329 /nfs/dbraw/zinc/68/93/29/1443689329.db2.gz DNPLSOSZVVLUEH-ZDUSSCGKSA-N -2 3 388.435 3.214 20 0 GGADHL Cc1nc(-c2ccc(N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)nc2)[n-]c(=O)c1C ZINC000822418693 1443689332 /nfs/dbraw/zinc/68/93/32/1443689332.db2.gz DNPLSOSZVVLUEH-ZDUSSCGKSA-N -2 3 388.435 3.214 20 0 GGADHL C[C@H](NC(=O)[N-]c1nc(C(F)(F)F)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380165 1443890857 /nfs/dbraw/zinc/89/08/57/1443890857.db2.gz MHNQKHFMKKLFSA-ZETCQYMHSA-N -2 3 383.359 3.225 20 0 GGADHL Cc1cc([N-]C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)no1 ZINC000737276043 1443983895 /nfs/dbraw/zinc/98/38/95/1443983895.db2.gz XNVQENMBGGECQW-UHFFFAOYSA-N -2 3 391.391 3.386 20 0 GGADHL Cc1cc([N-]C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)no1 ZINC000737276043 1443983897 /nfs/dbraw/zinc/98/38/97/1443983897.db2.gz XNVQENMBGGECQW-UHFFFAOYSA-N -2 3 391.391 3.386 20 0 GGADHL CC(C)(C)c1csc([N-]C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000819966021 1444011655 /nfs/dbraw/zinc/01/16/55/1444011655.db2.gz SOISJVBXDCXWGK-UHFFFAOYSA-N -2 3 375.433 3.082 20 0 GGADHL CC(C)(C)c1csc([N-]C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000819966021 1444011658 /nfs/dbraw/zinc/01/16/58/1444011658.db2.gz SOISJVBXDCXWGK-UHFFFAOYSA-N -2 3 375.433 3.082 20 0 GGADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000738342166 1446159695 /nfs/dbraw/zinc/15/96/95/1446159695.db2.gz NHYDFVZOFBUOPG-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL CC(C)c1csc([N-]C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000824352942 1446373583 /nfs/dbraw/zinc/37/35/83/1446373583.db2.gz RQDYCPKVWACWHK-HNNXBMFYSA-N -2 3 399.480 3.052 20 0 GGADHL O=C(Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)c1cncc([O-])c1 ZINC000823357518 1446392618 /nfs/dbraw/zinc/39/26/18/1446392618.db2.gz WSTKURFKRHLNCI-UHFFFAOYSA-N -2 3 392.350 3.151 20 0 GGADHL O=C(Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1)c1cncc([O-])c1 ZINC000823357518 1446392623 /nfs/dbraw/zinc/39/26/23/1446392623.db2.gz WSTKURFKRHLNCI-UHFFFAOYSA-N -2 3 392.350 3.151 20 0 GGADHL COc1ccc(CC(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826190981 1446443916 /nfs/dbraw/zinc/44/39/16/1446443916.db2.gz SPDSFTLGYFZCAB-UHFFFAOYSA-N -2 3 392.444 3.180 20 0 GGADHL COc1ccc(CC(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826190981 1446443919 /nfs/dbraw/zinc/44/39/19/1446443919.db2.gz SPDSFTLGYFZCAB-UHFFFAOYSA-N -2 3 392.444 3.180 20 0 GGADHL C[C@H]1CCN(C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)[C@H]1C ZINC000820717692 1446497703 /nfs/dbraw/zinc/49/77/03/1446497703.db2.gz UJNMZHLBCVYNSU-RYUDHWBXSA-N -2 3 383.481 3.176 20 0 GGADHL C[C@H]1CCN(C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)[C@H]1C ZINC000820717692 1446497709 /nfs/dbraw/zinc/49/77/09/1446497709.db2.gz UJNMZHLBCVYNSU-RYUDHWBXSA-N -2 3 383.481 3.176 20 0 GGADHL O=C(CCc1cccc(OC2CCCC2)c1)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000822982179 1446563317 /nfs/dbraw/zinc/56/33/17/1446563317.db2.gz AYMMIQWYKXUMPS-UHFFFAOYSA-N -2 3 384.465 3.216 20 0 GGADHL O=C(CCc1cccc(OC2CCCC2)c1)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822982179 1446563320 /nfs/dbraw/zinc/56/33/20/1446563320.db2.gz AYMMIQWYKXUMPS-UHFFFAOYSA-N -2 3 384.465 3.216 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)NCCC1CCC1 ZINC000823182933 1446613423 /nfs/dbraw/zinc/61/34/23/1446613423.db2.gz QLRJQLBDLMWITF-UHFFFAOYSA-N -2 3 383.481 3.226 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)NCCC1CCC1 ZINC000823182933 1446613429 /nfs/dbraw/zinc/61/34/29/1446613429.db2.gz QLRJQLBDLMWITF-UHFFFAOYSA-N -2 3 383.481 3.226 20 0 GGADHL O=C(CCC1CCOCC1)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822950373 1446769618 /nfs/dbraw/zinc/76/96/18/1446769618.db2.gz LNJMSHDXNICLAJ-UHFFFAOYSA-N -2 3 384.465 3.136 20 0 GGADHL O=C(CCC1CCOCC1)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822950373 1446769619 /nfs/dbraw/zinc/76/96/19/1446769619.db2.gz LNJMSHDXNICLAJ-UHFFFAOYSA-N -2 3 384.465 3.136 20 0 GGADHL Cc1nc(-c2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)nc2)[n-]c(=O)c1C ZINC000822418692 1447274024 /nfs/dbraw/zinc/27/40/24/1447274024.db2.gz DNPLSOSZVVLUEH-CYBMUJFWSA-N -2 3 388.435 3.214 20 0 GGADHL Cc1nc(-c2ccc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)nc2)[n-]c(=O)c1C ZINC000822418692 1447274029 /nfs/dbraw/zinc/27/40/29/1447274029.db2.gz DNPLSOSZVVLUEH-CYBMUJFWSA-N -2 3 388.435 3.214 20 0 GGADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000736326254 1449424613 /nfs/dbraw/zinc/42/46/13/1449424613.db2.gz HTGYNWKYSQDINQ-CYBMUJFWSA-N -2 3 387.465 3.153 20 0 GGADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000736326254 1449424618 /nfs/dbraw/zinc/42/46/18/1449424618.db2.gz HTGYNWKYSQDINQ-CYBMUJFWSA-N -2 3 387.465 3.153 20 0 GGADHL C[C@H]1CC[C@@H](CCC(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)O1 ZINC000824906474 1449822855 /nfs/dbraw/zinc/82/28/55/1449822855.db2.gz BXHFLAHPGWLTNB-FZMZJTMJSA-N -2 3 384.465 3.276 20 0 GGADHL C[C@H]1CC[C@@H](CCC(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)O1 ZINC000824906474 1449822864 /nfs/dbraw/zinc/82/28/64/1449822864.db2.gz BXHFLAHPGWLTNB-FZMZJTMJSA-N -2 3 384.465 3.276 20 0 GGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000820178678 1450201142 /nfs/dbraw/zinc/20/11/42/1450201142.db2.gz XGBJQQLLFSMTRH-UHFFFAOYSA-N -2 3 393.856 3.108 20 0 GGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000820178678 1450201144 /nfs/dbraw/zinc/20/11/44/1450201144.db2.gz XGBJQQLLFSMTRH-UHFFFAOYSA-N -2 3 393.856 3.108 20 0 GGADHL O=C(CCCn1cccc1)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826406712 1450321393 /nfs/dbraw/zinc/32/13/93/1450321393.db2.gz JRHJTNYUDIOAGS-UHFFFAOYSA-N -2 3 393.476 3.134 20 0 GGADHL O=C(CCCn1cccc1)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826406712 1450321395 /nfs/dbraw/zinc/32/13/95/1450321395.db2.gz JRHJTNYUDIOAGS-UHFFFAOYSA-N -2 3 393.476 3.134 20 0 GGADHL O=C(CCCOc1ccc(Cl)cc1Cl)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000822958911 1450338386 /nfs/dbraw/zinc/33/83/86/1450338386.db2.gz MWOQJXWTADOANK-UHFFFAOYSA-N -2 3 399.263 3.428 20 0 GGADHL O=C(CCCOc1ccc(Cl)cc1Cl)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822958911 1450338393 /nfs/dbraw/zinc/33/83/93/1450338393.db2.gz MWOQJXWTADOANK-UHFFFAOYSA-N -2 3 399.263 3.428 20 0 GGADHL CC(=O)CCC(C)(C)C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000823968282 1450345221 /nfs/dbraw/zinc/34/52/21/1450345221.db2.gz YXDJVIAJEFUCIL-UHFFFAOYSA-N -2 3 398.492 3.248 20 0 GGADHL CC(=O)CCC(C)(C)C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000823968282 1450345224 /nfs/dbraw/zinc/34/52/24/1450345224.db2.gz YXDJVIAJEFUCIL-UHFFFAOYSA-N -2 3 398.492 3.248 20 0 GGADHL O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ccc(Br)cc1 ZINC000766945314 939076335 /nfs/dbraw/zinc/07/63/35/939076335.db2.gz RNSAUYCQBCFOBA-ZDUSSCGKSA-N -2 3 384.176 3.483 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)cc2)cc(=O)[n-]1 ZINC000788317320 939148910 /nfs/dbraw/zinc/14/89/10/939148910.db2.gz CSCMNTAEFGWFGY-OAQYLSRUSA-N -2 3 392.415 3.279 20 0 GGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CCc2ccc(Cl)s2)c1F ZINC000323043569 970960288 /nfs/dbraw/zinc/96/02/88/970960288.db2.gz GQKDVFYWWMOXCP-UHFFFAOYSA-N -2 3 398.264 3.413 20 0 GGADHL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001601422472 970989238 /nfs/dbraw/zinc/98/92/38/970989238.db2.gz ROSQMKBGYLANPG-HXUWFJFHSA-N -2 3 375.424 3.409 20 0 GGADHL Cn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1C(=O)[O-] ZINC000324035846 971076512 /nfs/dbraw/zinc/07/65/12/971076512.db2.gz PWTPERNOYPIELA-UHFFFAOYSA-N -2 3 382.747 3.196 20 0 GGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]C(C2CCC2)C2CCC2)c1F ZINC000325129963 971189363 /nfs/dbraw/zinc/18/93/63/971189363.db2.gz JAOHYSATHMVIJV-UHFFFAOYSA-N -2 3 375.849 3.424 20 0 GGADHL CSC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCCC1 ZINC000325966026 971258677 /nfs/dbraw/zinc/25/86/77/971258677.db2.gz SWNOHEBPVNYRKV-UHFFFAOYSA-N -2 3 379.450 3.007 20 0 GGADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)c1 ZINC000327586169 971410326 /nfs/dbraw/zinc/41/03/26/971410326.db2.gz HIGVQKSVYKGQNW-UHFFFAOYSA-N -2 3 377.315 3.021 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)c(Cl)cc1F ZINC000826272554 947791227 /nfs/dbraw/zinc/79/12/27/947791227.db2.gz PPEGCKRSZVJYTG-UHFFFAOYSA-N -2 3 381.820 3.077 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)c1-c1nn[n-]n1 ZINC000826299725 947869603 /nfs/dbraw/zinc/86/96/03/947869603.db2.gz RXDXGLWIHMEPRL-UHFFFAOYSA-N -2 3 399.476 3.205 20 0 GGADHL CC(C)[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)c([O-])c3)sc2C1 ZINC001574098831 949166680 /nfs/dbraw/zinc/16/66/80/949166680.db2.gz GGJLCTUJEOAMSB-SNVBAGLBSA-N -2 3 384.465 3.042 20 0 GGADHL CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)c([O-])c3)sc2C1 ZINC001573827169 949913685 /nfs/dbraw/zinc/91/36/85/949913685.db2.gz KNEGLSASWBKMRM-NSHDSACASA-N -2 3 398.492 3.432 20 0 GGADHL CC1CCN(c2ccc(F)cc2NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)CC1 ZINC001576214313 950667751 /nfs/dbraw/zinc/66/77/51/950667751.db2.gz PBJGOMIHNKKLDD-UHFFFAOYSA-N -2 3 396.426 3.200 20 0 GGADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC001602861634 971723332 /nfs/dbraw/zinc/72/33/32/971723332.db2.gz FHIKMMHDMPRCMC-NSHDSACASA-N -2 3 385.379 3.402 20 0 GGADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC001602861708 971724245 /nfs/dbraw/zinc/72/42/45/971724245.db2.gz IWXIQDQHKSATGH-LLVKDONJSA-N -2 3 396.278 3.146 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(OCC(=O)[O-])cc3)c2)n1 ZINC001593627627 953566263 /nfs/dbraw/zinc/56/62/63/953566263.db2.gz QQMQGWRRUYLRRR-UHFFFAOYSA-N -2 3 393.399 3.127 20 0 GGADHL CC[C@H](C(=O)[O-])N(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000650517462 954027161 /nfs/dbraw/zinc/02/71/61/954027161.db2.gz MMPHZHVEWAKRSV-CYBMUJFWSA-N -2 3 375.425 3.086 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)c1ccc(F)cc1 ZINC001594843991 954113274 /nfs/dbraw/zinc/11/32/74/954113274.db2.gz QTCYUXYGTYRFFO-MRXNPFEDSA-N -2 3 392.433 3.053 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653494283 954180106 /nfs/dbraw/zinc/18/01/06/954180106.db2.gz WQQJOXBNBSJYOG-KWCYVHTRSA-N -2 3 394.518 3.224 20 0 GGADHL C[C@]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)(C(=O)[O-])c1ccccc1 ZINC000385833893 972016814 /nfs/dbraw/zinc/01/68/14/972016814.db2.gz XTXGJSUYGWTZPC-CYBMUJFWSA-N -2 3 380.274 3.333 20 0 GGADHL C[C@@]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)(C(=O)[O-])c1ccccc1 ZINC000385833895 972017281 /nfs/dbraw/zinc/01/72/81/972017281.db2.gz XTXGJSUYGWTZPC-ZDUSSCGKSA-N -2 3 380.274 3.333 20 0 GGADHL CCC(CC)(C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C(=O)[O-] ZINC001589506932 955037592 /nfs/dbraw/zinc/03/75/92/955037592.db2.gz FZDVDFXURVJFTN-UHFFFAOYSA-N -2 3 376.887 3.119 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000021868709 957152669 /nfs/dbraw/zinc/15/26/69/957152669.db2.gz PZOFPDOEBGXRMB-UHFFFAOYSA-N -2 3 390.461 3.479 20 0 GGADHL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000037370787 957272556 /nfs/dbraw/zinc/27/25/56/957272556.db2.gz JNGNEMSHBMFMAD-UHFFFAOYSA-N -2 3 380.216 3.149 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000055631589 957548171 /nfs/dbraw/zinc/54/81/71/957548171.db2.gz WZRNMCTZSAHEFS-KRWDZBQOSA-N -2 3 391.445 3.052 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC[C@H]2CCCO2)cc1 ZINC000055631590 957548296 /nfs/dbraw/zinc/54/82/96/957548296.db2.gz WZRNMCTZSAHEFS-QGZVFWFLSA-N -2 3 391.445 3.052 20 0 GGADHL CCOC(=O)C(=Cc1ccc(C(=O)[O-])cc1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000057815155 957553675 /nfs/dbraw/zinc/55/36/75/957553675.db2.gz RMDMZSKVKXGSIK-NTEUORMPSA-N -2 3 398.440 3.403 20 0 GGADHL C[C@@](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001603193008 972295843 /nfs/dbraw/zinc/29/58/43/972295843.db2.gz FRDJSSNRLHTGFQ-INIZCTEOSA-N -2 3 388.272 3.314 20 0 GGADHL Cc1ccc(CSc2nc(NC(=O)c3cccc(OCC(=O)[O-])c3)n[n-]2)cc1 ZINC001594362783 958465960 /nfs/dbraw/zinc/46/59/60/958465960.db2.gz LHZJKRIARCPBJI-UHFFFAOYSA-N -2 3 398.444 3.121 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001573455154 958893988 /nfs/dbraw/zinc/89/39/88/958893988.db2.gz QVDUSGVLLKNKET-GOSISDBHSA-N -2 3 391.449 3.220 20 0 GGADHL CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC001573656110 959672992 /nfs/dbraw/zinc/67/29/92/959672992.db2.gz QYFQDNAGCAWCHV-UHFFFAOYSA-N -2 3 379.420 3.095 20 0 GGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594268587 959772554 /nfs/dbraw/zinc/77/25/54/959772554.db2.gz IDPAZRBMXORNND-OAHLLOKOSA-N -2 3 381.356 3.124 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)c(F)cc1F ZINC001195224689 960569257 /nfs/dbraw/zinc/56/92/57/960569257.db2.gz CBEFMWADFTZHQA-UHFFFAOYSA-N -2 3 396.415 3.060 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3F)c(F)cc1Cl ZINC001259222851 960687220 /nfs/dbraw/zinc/68/72/20/960687220.db2.gz HFUXKKOWCDIWBA-CQSZACIVSA-N -2 3 387.791 3.282 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CC2)c(F)cc1Cl ZINC001259223516 960689322 /nfs/dbraw/zinc/68/93/22/960689322.db2.gz FBQRKVLHKZKPNJ-UHFFFAOYSA-N -2 3 387.791 3.284 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(Cc3ccccc3)CC2)c(F)cc1Cl ZINC001259225412 960694204 /nfs/dbraw/zinc/69/42/04/960694204.db2.gz OQHLEHVFSYWFPI-UHFFFAOYSA-N -2 3 397.855 3.479 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2ccc(C(=O)[O-])cc2)s1 ZINC001588727096 961073411 /nfs/dbraw/zinc/07/34/11/961073411.db2.gz CZYQOBPOIGJKAU-UHFFFAOYSA-N -2 3 377.422 3.118 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)cc(F)c1F ZINC001331289346 961371217 /nfs/dbraw/zinc/37/12/17/961371217.db2.gz RXQXATKMWBFFBX-UHFFFAOYSA-N -2 3 396.346 3.394 20 0 GGADHL O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)c1cc(Cc3ccccc3)ccc1[O-])O2 ZINC001574564123 962024333 /nfs/dbraw/zinc/02/43/33/962024333.db2.gz FDIOZVUCBHOQIQ-FRIYVGAWSA-N -2 3 395.455 3.125 20 0 GGADHL O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)c1cc(Oc3ccccc3)ccc1[O-])O2 ZINC001574565524 962038392 /nfs/dbraw/zinc/03/83/92/962038392.db2.gz WRZQILHOAFZQKI-QQHGCPPCSA-N -2 3 397.427 3.327 20 0 GGADHL O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001574585439 962111055 /nfs/dbraw/zinc/11/10/55/962111055.db2.gz ROSQMKBGYLANPG-FQEVSTJZSA-N -2 3 375.424 3.409 20 0 GGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000269663984 962775581 /nfs/dbraw/zinc/77/55/81/962775581.db2.gz KYWATUJLBQZAFC-UHFFFAOYSA-N -3 3 391.445 3.110 20 0 GGADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)c1 ZINC001573345207 962929291 /nfs/dbraw/zinc/92/92/91/962929291.db2.gz LCWMTWNBJPWMHM-XMHCIUCPSA-N -2 3 394.427 3.124 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1=CCCC1 ZINC000308770323 963301389 /nfs/dbraw/zinc/30/13/89/963301389.db2.gz SZKZXCAMQWKWAV-UHFFFAOYSA-N -2 3 392.271 3.155 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCCC1 ZINC000313765764 963679778 /nfs/dbraw/zinc/67/97/78/963679778.db2.gz MMXYXCVQMAUFIA-UHFFFAOYSA-N -2 3 396.690 3.168 20 0 GGADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc(C)cnc1Br ZINC000313921917 963691293 /nfs/dbraw/zinc/69/12/93/963691293.db2.gz AKHREXWGDYXFRM-UHFFFAOYSA-N -2 3 391.268 3.021 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(F)cc1Br ZINC000314086034 963709347 /nfs/dbraw/zinc/70/93/47/963709347.db2.gz XUWNFDJTUVCRNC-UHFFFAOYSA-N -2 3 394.243 3.457 20 0 GGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1CCCCC1 ZINC000315469786 963905301 /nfs/dbraw/zinc/90/53/01/963905301.db2.gz YLFVAKHDOWYNJM-SNVBAGLBSA-N -2 3 394.287 3.378 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1CCCCC1 ZINC000315469785 963905710 /nfs/dbraw/zinc/90/57/10/963905710.db2.gz YLFVAKHDOWYNJM-JTQLQIEISA-N -2 3 394.287 3.378 20 0 GGADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC001595083420 970294574 /nfs/dbraw/zinc/29/45/74/970294574.db2.gz AHOPQUUPGYHWQI-UHFFFAOYSA-N -2 3 398.706 3.272 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cc1 ZINC000317828880 970390670 /nfs/dbraw/zinc/39/06/70/970390670.db2.gz PGOGKKRTMWQBDF-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)c(F)c1 ZINC000393037559 972557909 /nfs/dbraw/zinc/55/79/09/972557909.db2.gz KJTCBGPIGSSMGE-UHFFFAOYSA-N -2 3 377.315 3.021 20 0 GGADHL Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000410421704 973930131 /nfs/dbraw/zinc/93/01/31/973930131.db2.gz VXLUWPBODXSEBZ-UHFFFAOYSA-N -2 3 385.445 3.203 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)cc1C(=O)[O-] ZINC000447269709 974125175 /nfs/dbraw/zinc/12/51/75/974125175.db2.gz CSBFPYYGDGFYFU-UHFFFAOYSA-N -2 3 379.434 3.290 20 0 GGADHL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1)C(=O)[O-] ZINC000463792870 974187433 /nfs/dbraw/zinc/18/74/33/974187433.db2.gz BZCXCDUWCALNSE-AWEZNQCLSA-N -3 3 391.445 3.147 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccc4)[nH]c3c2)c[nH]1 ZINC000491584874 974257460 /nfs/dbraw/zinc/25/74/60/974257460.db2.gz YBRAMHSYJHVXOF-UHFFFAOYSA-N -2 3 382.401 3.057 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c(C(=O)[O-])c1 ZINC000494588596 974260944 /nfs/dbraw/zinc/26/09/44/974260944.db2.gz XOMATRHOKJFITK-UHFFFAOYSA-N -2 3 389.351 3.435 20 0 GGADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000504665543 974270357 /nfs/dbraw/zinc/27/03/57/974270357.db2.gz HRQGKOXNTROADN-UHFFFAOYSA-N -2 3 389.351 3.360 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000507638985 974278395 /nfs/dbraw/zinc/27/83/95/974278395.db2.gz VAGHYOVHOYMAHJ-NSHDSACASA-N -3 3 395.458 3.059 20 0 GGADHL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccc1OC(C)C ZINC000507891787 974280017 /nfs/dbraw/zinc/28/00/17/974280017.db2.gz UGZYQSHEANOVST-UHFFFAOYSA-N -2 3 379.434 3.290 20 0 GGADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000511687352 974285292 /nfs/dbraw/zinc/28/52/92/974285292.db2.gz LSGYXHOHFLKEOB-ZDUSSCGKSA-N -2 3 379.434 3.128 20 0 GGADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)c1 ZINC000527051591 974351976 /nfs/dbraw/zinc/35/19/76/974351976.db2.gz FUXFYPLZIGWLKY-UHFFFAOYSA-N -2 3 399.852 3.289 20 0 GGADHL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1)C(=O)[O-] ZINC000541807884 974413225 /nfs/dbraw/zinc/41/32/25/974413225.db2.gz WONAECYZLXZIKU-GFCCVEGCSA-N -2 3 399.415 3.395 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1C ZINC000542736918 974416616 /nfs/dbraw/zinc/41/66/16/974416616.db2.gz BFZJNKXJVPPNBT-CQSZACIVSA-N -2 3 377.462 3.458 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000543662331 974418476 /nfs/dbraw/zinc/41/84/76/974418476.db2.gz FAHKMVQJCMTXCB-GFCCVEGCSA-N -3 3 391.445 3.066 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000544098605 974419602 /nfs/dbraw/zinc/41/96/02/974419602.db2.gz MNWXIKRTROJSAB-NSHDSACASA-N -3 3 377.418 3.072 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1C(=O)[O-] ZINC000543862841 974419657 /nfs/dbraw/zinc/41/96/57/974419657.db2.gz RPZUDHDNWBLGIK-UHFFFAOYSA-N -3 3 391.445 3.046 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1OC ZINC000544641288 974420997 /nfs/dbraw/zinc/42/09/97/974420997.db2.gz FSXGJARNWGMQTE-CYBMUJFWSA-N -2 3 393.461 3.076 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000544645347 974422179 /nfs/dbraw/zinc/42/21/79/974422179.db2.gz NGVSYIIQCUKPJW-ZDUSSCGKSA-N -3 3 391.445 3.066 20 0 GGADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000547877007 974444407 /nfs/dbraw/zinc/44/44/07/974444407.db2.gz ILHGOMBUXBSJIW-UHFFFAOYSA-N -2 3 388.445 3.077 20 0 GGADHL CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@](C(=O)[O-])(c4ccccc4)C3)nc2)n1 ZINC000564334178 974546993 /nfs/dbraw/zinc/54/69/93/974546993.db2.gz CLBMGWKYGBAIRV-QFIPXVFZSA-N -2 3 390.443 3.039 20 0 GGADHL O=C([O-])CCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CCOCC1 ZINC000576559837 974817282 /nfs/dbraw/zinc/81/72/82/974817282.db2.gz HTGYQCMLSYDKRH-UHFFFAOYSA-N -2 3 383.444 3.079 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]CCCO[C@@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000578985019 974865306 /nfs/dbraw/zinc/86/53/06/974865306.db2.gz OLICYRZSJJQLOI-QGZVFWFLSA-N -2 3 393.461 3.049 20 0 GGADHL COc1cccc([C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000580323108 974892647 /nfs/dbraw/zinc/89/26/47/974892647.db2.gz GBHSOZLABOGFTO-GOSISDBHSA-N -2 3 395.502 3.086 20 0 GGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c1C ZINC000649644393 975429088 /nfs/dbraw/zinc/42/90/88/975429088.db2.gz XHVZNIRXKDIZHJ-HNNXBMFYSA-N -2 3 375.446 3.306 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CC(C)(C)Oc3ccc(F)cc32)oc1C(=O)[O-] ZINC000663428411 975953457 /nfs/dbraw/zinc/95/34/57/975953457.db2.gz RBZAULWLONPPNR-LBPRGKRZSA-N -2 3 383.397 3.006 20 0 GGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)c(F)c1 ZINC001591788546 975975527 /nfs/dbraw/zinc/97/55/27/975975527.db2.gz NTAHMYMWSXRYQB-UHFFFAOYSA-N -2 3 385.388 3.180 20 0 GGADHL C[C@](CC(=O)[O-])([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccnc1 ZINC001592333553 977773423 /nfs/dbraw/zinc/77/34/23/977773423.db2.gz FSXRCXMFZCGDHB-CYBMUJFWSA-N -2 3 395.289 3.118 20 0 GGADHL Cc1cc(OC(F)F)c(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)s1 ZINC000738464706 978543042 /nfs/dbraw/zinc/54/30/42/978543042.db2.gz LMZNARCHAKZWBY-UHFFFAOYSA-N -2 3 377.394 3.169 20 0 GGADHL O=C([O-])CCCc1nnc([N-]C(=O)c2ccc(Br)s2)s1 ZINC000739713142 978651943 /nfs/dbraw/zinc/65/19/43/978651943.db2.gz YTHYYVJLWSYFOY-UHFFFAOYSA-N -2 3 376.257 3.022 20 0 GGADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)[C@H]1C ZINC000761238315 978706029 /nfs/dbraw/zinc/70/60/29/978706029.db2.gz RWBSBHIGBJOBFV-KHQFGBGNSA-N -2 3 396.328 3.312 20 0 GGADHL CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761238207 978706087 /nfs/dbraw/zinc/70/60/87/978706087.db2.gz MKUGUMQHIBEAAN-MRVPVSSYSA-N -2 3 384.317 3.312 20 0 GGADHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1 ZINC000761264124 978708140 /nfs/dbraw/zinc/70/81/40/978708140.db2.gz BPFLASUULGXTCX-JGVFFNPUSA-N -2 3 382.301 3.066 20 0 GGADHL CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1 ZINC000761304812 978708526 /nfs/dbraw/zinc/70/85/26/978708526.db2.gz JZCKUSXXWBKSJK-DTWKUNHWSA-N -2 3 396.328 3.456 20 0 GGADHL CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1 ZINC000761304815 978708699 /nfs/dbraw/zinc/70/86/99/978708699.db2.gz JZCKUSXXWBKSJK-RKDXNWHRSA-N -2 3 396.328 3.456 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc2[nH]ncc21 ZINC000766329557 978724337 /nfs/dbraw/zinc/72/43/37/978724337.db2.gz OEJMDPPJUXQDBH-UHFFFAOYSA-N -2 3 383.788 3.163 20 0 GGADHL COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1F ZINC000769887910 978743044 /nfs/dbraw/zinc/74/30/44/978743044.db2.gz KVEGIZWXUVPWPH-UHFFFAOYSA-N -2 3 393.314 3.352 20 0 GGADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000793406509 978807546 /nfs/dbraw/zinc/80/75/46/978807546.db2.gz CFLQDMLEBDJCQQ-JTQLQIEISA-N -3 3 395.408 3.211 20 0 GGADHL Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3C)cc2)n1 ZINC000793432731 978809243 /nfs/dbraw/zinc/80/92/43/978809243.db2.gz QMJLZBGIJYJMBY-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c(C)cc1C ZINC000793430041 978809516 /nfs/dbraw/zinc/80/95/16/978809516.db2.gz RFESDHKGLBEIFT-UHFFFAOYSA-N -2 3 395.408 3.037 20 0 GGADHL CC1CCC(C)(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000794917245 978828997 /nfs/dbraw/zinc/82/89/97/978828997.db2.gz GSAUNLVLYZNQEF-UHFFFAOYSA-N -2 3 394.287 3.235 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c(Cl)cc1Cl ZINC000797406090 978832676 /nfs/dbraw/zinc/83/26/76/978832676.db2.gz BLQMXEMYEVEVSA-ZETCQYMHSA-N -2 3 388.219 3.405 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c(Cl)cc1Cl ZINC000797406089 978833169 /nfs/dbraw/zinc/83/31/69/978833169.db2.gz BLQMXEMYEVEVSA-SSDOTTSWSA-N -2 3 388.219 3.405 20 0 GGADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000797429292 978834212 /nfs/dbraw/zinc/83/42/12/978834212.db2.gz PFMBEHODLVKANU-KWQFWETISA-N -2 3 398.706 3.270 20 0 GGADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2nc(C3CCC3)[nH]c2c1 ZINC000833295218 979143035 /nfs/dbraw/zinc/14/30/35/979143035.db2.gz RSFVCKBJZPDFJS-UHFFFAOYSA-N -2 3 389.408 3.469 20 0 GGADHL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000833417221 979181655 /nfs/dbraw/zinc/18/16/55/979181655.db2.gz NGTNDMRUPOMXAR-GFCCVEGCSA-N -2 3 399.285 3.187 20 0 GGADHL C[C@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001592722469 979225214 /nfs/dbraw/zinc/22/52/14/979225214.db2.gz MKNWTQTXNGIJJY-SECBINFHSA-N -2 3 377.340 3.079 20 0 GGADHL CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000840891532 979276706 /nfs/dbraw/zinc/27/67/06/979276706.db2.gz UMZHSJHPMYOPMB-UHFFFAOYSA-N -2 3 393.248 3.029 20 0 GGADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC001595057136 979296818 /nfs/dbraw/zinc/29/68/18/979296818.db2.gz VPYLTGKKGVQWOL-UHFFFAOYSA-N -2 3 387.351 3.036 20 0 GGADHL CCC(CC)[C@H](CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)OC ZINC001595105735 979425918 /nfs/dbraw/zinc/42/59/18/979425918.db2.gz DEPBZHAUYAMTTH-ZDUSSCGKSA-N -2 3 395.880 3.297 20 0 GGADHL CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)OC ZINC001595105730 979426150 /nfs/dbraw/zinc/42/61/50/979426150.db2.gz DEPBZHAUYAMTTH-CYBMUJFWSA-N -2 3 395.880 3.297 20 0 GGADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)Oc1cccc(Cl)c1 ZINC001595170220 979733206 /nfs/dbraw/zinc/73/32/06/979733206.db2.gz RXBPKJKWDIYVER-GFCCVEGCSA-N -2 3 387.841 3.076 20 0 GGADHL C[C@]([N-]C(=O)C(F)(F)c1ncccc1Br)(C(=O)[O-])c1ccccc1 ZINC001592994207 980201019 /nfs/dbraw/zinc/20/10/19/980201019.db2.gz RVZVGCTXVCJVSP-OAHLLOKOSA-N -2 3 399.191 3.052 20 0 GGADHL C[C@@]([N-]C(=O)C(F)(F)c1ncccc1Br)(C(=O)[O-])c1ccccc1 ZINC001592994206 980201190 /nfs/dbraw/zinc/20/11/90/980201190.db2.gz RVZVGCTXVCJVSP-HNNXBMFYSA-N -2 3 399.191 3.052 20 0 GGADHL C[C@](NC(=O)Cc1ccc([O-])c(F)c1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593040076 980322857 /nfs/dbraw/zinc/32/28/57/980322857.db2.gz LWYXVEVNIQUSSE-QGZVFWFLSA-N -2 3 386.206 3.497 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)[C@H]1CC1(C)C ZINC001595317527 980494127 /nfs/dbraw/zinc/49/41/27/980494127.db2.gz YKLWSRYBOYWQSX-APPZFPTMSA-N -2 3 396.328 3.312 20 0 GGADHL CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001595321512 980509102 /nfs/dbraw/zinc/50/91/02/980509102.db2.gz KOFGRAJZNQSBDV-UHFFFAOYSA-N -2 3 395.880 3.033 20 0 GGADHL CCC[C@@](C)([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC001595566398 981461255 /nfs/dbraw/zinc/46/12/55/981461255.db2.gz PLMVTOQJNCXKHS-GFCCVEGCSA-N -2 3 384.679 3.024 20 0 GGADHL CCC[C@](C)([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC001595566400 981461300 /nfs/dbraw/zinc/46/13/00/981461300.db2.gz PLMVTOQJNCXKHS-LBPRGKRZSA-N -2 3 384.679 3.024 20 0 GGADHL CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc(Cl)c(Cl)c1 ZINC001595600146 981577982 /nfs/dbraw/zinc/57/79/82/981577982.db2.gz GMPVXYFVQWQEJZ-NSHDSACASA-N -2 3 393.248 3.499 20 0 GGADHL O=C([O-])c1ccc(F)c2c1CN(C(=O)CCCc1ccc([O-])c(F)c1)CC2 ZINC000910208269 981783929 /nfs/dbraw/zinc/78/39/29/981783929.db2.gz VQMLAIADCPWKIE-UHFFFAOYSA-N -2 3 375.371 3.276 20 0 GGADHL CCCC[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC001595635052 981898295 /nfs/dbraw/zinc/89/82/95/981898295.db2.gz VDGJWYWTRZGWRN-OALUTQOASA-N -2 3 398.459 3.013 20 0 GGADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC001594830209 982010016 /nfs/dbraw/zinc/01/00/16/982010016.db2.gz RYXOXOSDYYQWCC-GFCCVEGCSA-N -2 3 384.679 3.024 20 0 GGADHL CCCCC[C@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC001595686471 982174706 /nfs/dbraw/zinc/17/47/06/982174706.db2.gz ALEPKRNZJVDKKE-AWEZNQCLSA-N -2 3 382.507 3.430 20 0 GGADHL CCCCC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(=O)[O-] ZINC001595686683 982175443 /nfs/dbraw/zinc/17/54/43/982175443.db2.gz FCKGVOMLFAVHOR-MRVPVSSYSA-N -2 3 388.795 3.066 20 0 GGADHL CCCCC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(=O)[O-] ZINC001595686684 982176331 /nfs/dbraw/zinc/17/63/31/982176331.db2.gz FCKGVOMLFAVHOR-QMMMGPOBSA-N -2 3 388.795 3.066 20 0 GGADHL O=C([O-])c1cnc([C@H]2CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)s1 ZINC000911043861 982208403 /nfs/dbraw/zinc/20/84/03/982208403.db2.gz CQQVLJPJESFKGM-LBPRGKRZSA-N -2 3 378.425 3.025 20 0 GGADHL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-])C(F)(F)F ZINC001594919468 982456188 /nfs/dbraw/zinc/45/61/88/982456188.db2.gz AMGVECKUWZCZRX-YMTOWFKASA-N -2 3 390.383 3.188 20 0 GGADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(C)c1 ZINC001595781042 982557590 /nfs/dbraw/zinc/55/75/90/982557590.db2.gz XIDMPXWFUBHXAB-UHFFFAOYSA-N -2 3 379.434 3.379 20 0 GGADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC001594952165 982664379 /nfs/dbraw/zinc/66/43/79/982664379.db2.gz CADGUCGRNXOFPG-GZMMTYOYSA-N -2 3 398.706 3.270 20 0 GGADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001595008602 982929629 /nfs/dbraw/zinc/92/96/29/982929629.db2.gz PJJHABWTDLMQRE-LBPRGKRZSA-N -2 3 379.434 3.372 20 0 GGADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c1 ZINC001588661096 983785922 /nfs/dbraw/zinc/78/59/22/983785922.db2.gz DRLKSPMXDCPLCT-OAHLLOKOSA-N -2 3 388.807 3.116 20 0 GGADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC001588661483 983786777 /nfs/dbraw/zinc/78/67/77/983786777.db2.gz KBLAVBVROKRQRJ-SFHVURJKSA-N -2 3 382.416 3.099 20 0 GGADHL C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc([O-])cc(Br)c1 ZINC001599888890 984670715 /nfs/dbraw/zinc/67/07/15/984670715.db2.gz ZSUGITUSFWPMOA-LLVKDONJSA-N -2 3 378.222 3.270 20 0 GGADHL CCO[C@@H]1C[C@](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])(C(=O)[O-])C1(C)C ZINC001596829482 985457034 /nfs/dbraw/zinc/45/70/34/985457034.db2.gz WWDYLPFEVTUGDO-XXBNENTESA-N -2 3 397.471 3.371 20 0 GGADHL Cc1[nH]c(C(=O)[C@@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)c(C)c1C(=O)[O-] ZINC001599943217 985481716 /nfs/dbraw/zinc/48/17/16/985481716.db2.gz INQZXTNNXUNXHP-GFCCVEGCSA-N -2 3 391.395 3.312 20 0 GGADHL CC(=O)Nc1cc(Cl)c(NC(=O)c2c[n-]c3ccccc3c2=O)cc1C(=O)[O-] ZINC001589173825 985541552 /nfs/dbraw/zinc/54/15/52/985541552.db2.gz QETJKLYQHRNIBW-UHFFFAOYSA-N -2 3 399.790 3.090 20 0 GGADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001589199674 985637427 /nfs/dbraw/zinc/63/74/27/985637427.db2.gz XVEHCJVLYGMIMQ-LJQANCHMSA-N -2 3 378.384 3.060 20 0 GGADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC001589199678 985637790 /nfs/dbraw/zinc/63/77/90/985637790.db2.gz XZVUYVIWNNYGSP-IBGZPJMESA-N -2 3 378.384 3.060 20 0 GGADHL CC(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1[O-] ZINC001589276236 985988472 /nfs/dbraw/zinc/98/84/72/985988472.db2.gz SLNGSZCOLNWUDK-OAHLLOKOSA-N -2 3 381.306 3.169 20 0 GGADHL CC(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2OC(F)(F)F)cc1[O-] ZINC001589276491 985989841 /nfs/dbraw/zinc/98/98/41/985989841.db2.gz XQZRRUVWBVLNKH-OAHLLOKOSA-N -2 3 397.305 3.049 20 0 GGADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)c(F)c(C(=O)[O-])c3)ccc2O1 ZINC001594618791 986642210 /nfs/dbraw/zinc/64/22/10/986642210.db2.gz JJNZNELBWQTAFH-QMMMGPOBSA-N -2 3 385.800 3.302 20 0 GGADHL C[C@H](C(=O)[O-])[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC001589461918 986914061 /nfs/dbraw/zinc/91/40/61/986914061.db2.gz IOHBSQUDAGUNFS-BONVTDFDSA-N -2 3 378.222 3.347 20 0 GGADHL CC(C)(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001589776935 988140153 /nfs/dbraw/zinc/14/01/53/988140153.db2.gz MAKKINVGAOKJJA-UHFFFAOYSA-N -2 3 382.251 3.001 20 0 GGADHL CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OC)cc1CC(=O)[O-] ZINC001597585794 988398404 /nfs/dbraw/zinc/39/84/04/988398404.db2.gz WPLNLLHSLLZZFZ-UHFFFAOYSA-N -2 3 377.462 3.248 20 0 GGADHL CSc1ccc([O-])c(C(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1 ZINC001599820393 988502529 /nfs/dbraw/zinc/50/25/29/988502529.db2.gz XHDIYWSCOIFPGU-ZDUSSCGKSA-N -2 3 386.473 3.163 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)s1 ZINC001590319481 989755874 /nfs/dbraw/zinc/75/58/74/989755874.db2.gz GTLRTKZOVZTUAN-UHFFFAOYSA-N -2 3 379.394 3.146 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)s1 ZINC001590319401 989756029 /nfs/dbraw/zinc/75/60/29/989756029.db2.gz FNDACILDHBKHDX-GFCCVEGCSA-N -2 3 395.412 3.185 20 0 GGADHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br)C1CCC1 ZINC001590879271 990791672 /nfs/dbraw/zinc/79/16/72/990791672.db2.gz UJMKOMXPMJCKNI-UHFFFAOYSA-N -2 3 394.262 3.143 20 0 GGADHL CN(C)Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1Cl ZINC001598252033 991029255 /nfs/dbraw/zinc/02/92/55/991029255.db2.gz ADHAYXOCSJIOPE-UHFFFAOYSA-N -2 3 386.832 3.040 20 0 GGADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc(C(C)(C)C)cc1 ZINC001591032809 991341378 /nfs/dbraw/zinc/34/13/78/991341378.db2.gz BKNHUNIANCMFGL-MRXNPFEDSA-N -2 3 380.466 3.346 20 0 GGADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1cccc(C(F)(F)F)c1 ZINC001591034068 991351235 /nfs/dbraw/zinc/35/12/35/991351235.db2.gz YOHMKNSBWIGKDQ-ZDUSSCGKSA-N -2 3 392.355 3.067 20 0 GGADHL CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(SCCC(=O)[O-])c2)cc1 ZINC001598330376 991370833 /nfs/dbraw/zinc/37/08/33/991370833.db2.gz XECRMNBOSFTNCM-UHFFFAOYSA-N -2 3 380.491 3.120 20 0 GGADHL CC(C)C[C@@H](NC(=O)CSc1nnc([N-]c2ccccc2F)s1)C(=O)[O-] ZINC001591178928 991978891 /nfs/dbraw/zinc/97/88/91/991978891.db2.gz YKHURDOJHNGLAL-GFCCVEGCSA-N -2 3 398.485 3.128 20 0 GGADHL CN(Cc1ccc(C(=O)[O-])cn1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC001598515031 992607590 /nfs/dbraw/zinc/60/75/90/992607590.db2.gz BGDOOUJQSVJGPX-UHFFFAOYSA-N -2 3 396.428 3.382 20 0 GGADHL CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001598516951 992627198 /nfs/dbraw/zinc/62/71/98/992627198.db2.gz QNLNKDRWLQFMRA-UHFFFAOYSA-N -2 3 376.412 3.348 20 0 GGADHL C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593156981 993981022 /nfs/dbraw/zinc/98/10/22/993981022.db2.gz ZJCATEZJEQUFDN-SNVBAGLBSA-N -2 3 383.322 3.365 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c2cccnc12 ZINC001599616891 994026978 /nfs/dbraw/zinc/02/69/78/994026978.db2.gz VKRFIALVOSZULS-UHFFFAOYSA-N -2 3 394.355 3.021 20 0 GGADHL C[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593184426 994088132 /nfs/dbraw/zinc/08/81/32/994088132.db2.gz BUYKYGSXANQTKM-IUODEOHRSA-N -2 3 398.846 3.243 20 0 GGADHL COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1sc(C)cc1C(=O)[O-])=C2 ZINC001599627915 994175793 /nfs/dbraw/zinc/17/57/93/994175793.db2.gz YXGIQBPEKYDJIH-UHFFFAOYSA-N -2 3 379.459 3.492 20 0 GGADHL COc1cccc(C(F)(F)C(=O)[N-][C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)c1 ZINC001599658366 994617362 /nfs/dbraw/zinc/61/73/62/994617362.db2.gz WHNQCAIPWWFPFH-HNNXBMFYSA-N -2 3 399.777 3.391 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)[C@]12C[C@H]1CCCC2 ZINC001593327079 994886036 /nfs/dbraw/zinc/88/60/36/994886036.db2.gz VARUQPJEHVHELM-IEVXNVSRSA-N -2 3 375.849 3.424 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)[C@H](C)c1ccccc1C(F)(F)F ZINC001593334064 994907341 /nfs/dbraw/zinc/90/73/41/994907341.db2.gz JGBNKTFKRULFCO-VHSXEESVSA-N -2 3 391.367 3.467 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001593334062 994907437 /nfs/dbraw/zinc/90/74/37/994907437.db2.gz JGBNKTFKRULFCO-NXEZZACHSA-N -2 3 391.367 3.467 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC001593347965 994962583 /nfs/dbraw/zinc/96/25/83/994962583.db2.gz VTBYJDSYEYXGHJ-VIFPVBQESA-N -2 3 395.487 3.004 20 0 GGADHL CC1(C)[C@@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])C1(F)F ZINC001593831358 996576276 /nfs/dbraw/zinc/57/62/76/996576276.db2.gz YNIZUVMRHOMRJI-SECBINFHSA-N -2 3 388.219 3.261 20 0 GGADHL CC1(C)C[C@@]1(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001593865723 996671859 /nfs/dbraw/zinc/67/18/59/996671859.db2.gz UGBWLTZYWFFUSD-AWEZNQCLSA-N -2 3 394.262 3.001 20 0 GGADHL CC1(C)C[C@]1(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001593865724 996671926 /nfs/dbraw/zinc/67/19/26/996671926.db2.gz UGBWLTZYWFFUSD-CQSZACIVSA-N -2 3 394.262 3.001 20 0 GGADHL CC1(C)CC[C@@H](CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)OC1 ZINC001593877278 996699772 /nfs/dbraw/zinc/69/97/72/996699772.db2.gz XKEIIBPTSUTPCM-JTQLQIEISA-N -2 3 393.864 3.051 20 0 GGADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC001599382009 996871780 /nfs/dbraw/zinc/87/17/80/996871780.db2.gz QTYCIERDZGTCQM-AWEZNQCLSA-N -2 3 395.399 3.183 20 0 GGADHL COCc1cc(Cl)ccc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001599282013 996908727 /nfs/dbraw/zinc/90/87/27/996908727.db2.gz DYCKBLSFTCHMBA-UHFFFAOYSA-N -2 3 375.874 3.263 20 0 GGADHL COCc1cc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc(C(=O)[O-])c1 ZINC001599289429 997038700 /nfs/dbraw/zinc/03/87/00/997038700.db2.gz LIWBYEVFPRPJGP-UHFFFAOYSA-N -2 3 393.461 3.367 20 0 GGADHL COCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F ZINC001599291716 997076663 /nfs/dbraw/zinc/07/66/63/997076663.db2.gz OWQVICXGUOGBQO-ZDUSSCGKSA-N -2 3 397.415 3.177 20 0 GGADHL COc1ccc(C(=O)[O-])c2c1CN(Cc1cc(=O)[n-]c(-c3ccccc3)n1)CC2 ZINC001599502172 997143018 /nfs/dbraw/zinc/14/30/18/997143018.db2.gz UPFWIIUHAXARRA-UHFFFAOYSA-N -2 3 391.427 3.114 20 0 GGADHL COc1ccc(C(F)(F)C(=O)[N-][C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC001599517325 997414026 /nfs/dbraw/zinc/41/40/26/997414026.db2.gz UUSAVTYUVIVJDU-HNNXBMFYSA-N -2 3 399.777 3.391 20 0 GGADHL COc1ccc([C@@H](NCc2nnc(-c3ccccc3[O-])o2)C(=O)[O-])cc1Cl ZINC001599532212 997676117 /nfs/dbraw/zinc/67/61/17/997676117.db2.gz WHJGVCYSOSIARP-MRXNPFEDSA-N -2 3 389.795 3.020 20 0 GGADHL COC(=O)c1cc(C)nc2nc(SCc3ccc(C)c(C(=O)[O-])c3)[n-]c(=O)c21 ZINC001598928203 997691225 /nfs/dbraw/zinc/69/12/25/997691225.db2.gz MEALEWZTFLBXMN-UHFFFAOYSA-N -2 3 399.428 3.124 20 0 GGADHL COc1c(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])oc2ccccc21 ZINC001599333517 997788374 /nfs/dbraw/zinc/78/83/74/997788374.db2.gz IKUVQYBFIRNAGV-UHFFFAOYSA-N -2 3 395.820 3.272 20 0 GGADHL C[C@@]1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCCC[C@@H]1C(=O)[O-] ZINC001594062179 997858673 /nfs/dbraw/zinc/85/86/73/997858673.db2.gz UOLWWFXCBJEEIH-QMTHXVAHSA-N -2 3 383.363 3.156 20 0 GGADHL C[C@@]1([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCCC[C@H]1C(=O)[O-] ZINC001594066043 997877107 /nfs/dbraw/zinc/87/71/07/997877107.db2.gz NFZXHKONYGELSA-LKFCYVNXSA-N -2 3 399.362 3.036 20 0 GGADHL C[C@@]1([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCCC[C@@H]1C(=O)[O-] ZINC001594066093 997877843 /nfs/dbraw/zinc/87/78/43/997877843.db2.gz PKPJZHVSKGSEHU-CXAGYDPISA-N -2 3 380.491 3.122 20 0 GGADHL COc1cc(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)cc(OC)c1[O-] ZINC001599353246 998132579 /nfs/dbraw/zinc/13/25/79/998132579.db2.gz QXFHAJYRLNEUHU-HNNXBMFYSA-N -2 3 379.453 3.343 20 0 GGADHL COc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)ccc1C(=O)[O-] ZINC001599458998 998239070 /nfs/dbraw/zinc/23/90/70/998239070.db2.gz BJGIVQJDQWKWGT-UHFFFAOYSA-N -2 3 379.434 3.290 20 0 GGADHL COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1c(F)ccc([O-])c1F)CC2 ZINC001599463704 998319747 /nfs/dbraw/zinc/31/97/47/998319747.db2.gz KSHZHSLZUNWEKB-OAHLLOKOSA-N -2 3 393.386 3.262 20 0 GGADHL C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2Br)C1 ZINC001594309411 999194486 /nfs/dbraw/zinc/19/44/86/999194486.db2.gz WWTJZCSWZAWFOV-BDAKNGLRSA-N -2 3 394.262 3.001 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)[C@H]1CCC[C@H](C)C1 ZINC001594356024 999343531 /nfs/dbraw/zinc/34/35/31/999343531.db2.gz PUEKWICOPKSLSW-GUBZILKMSA-N -2 3 394.287 3.233 20 0 GGADHL C[C@@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001594363510 999371975 /nfs/dbraw/zinc/37/19/75/999371975.db2.gz FWJIKEMWGXHJPO-ZJUUUORDSA-N -2 3 394.287 3.235 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ncccc3[O-])cc2)cc1 ZINC000006590426 206657217 /nfs/dbraw/zinc/65/72/17/206657217.db2.gz PVNZTQVECOJIDK-UHFFFAOYSA-N -2 3 383.429 3.149 20 0 GGADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3[O-])cc2)cc1 ZINC000022024267 207245336 /nfs/dbraw/zinc/24/53/36/207245336.db2.gz LIMDUTOOGYLGDM-UHFFFAOYSA-N -2 3 398.440 3.454 20 0 GGADHL CCOc1cc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc(Br)c1[O-] ZINC000052933547 207720139 /nfs/dbraw/zinc/72/01/39/207720139.db2.gz CAZCOGRYBUMEAH-QPEQYQDCSA-N -2 3 388.217 3.364 20 0 GGADHL CCO[N-]C(=O)[C@@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000008768043 221056341 /nfs/dbraw/zinc/05/63/41/221056341.db2.gz NNADZRAEWXEPQS-LLVKDONJSA-N -2 3 389.502 3.341 20 0 GGADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Br)s1)CCC(=O)[O-] ZINC000115729760 564198634 /nfs/dbraw/zinc/19/86/34/564198634.db2.gz XWODQIZIAGAUCW-UHFFFAOYSA-N -2 3 384.317 3.070 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1Br ZINC000012825589 564271309 /nfs/dbraw/zinc/27/13/09/564271309.db2.gz IRMQPDSUJONGNG-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2Cl)c1 ZINC000013306662 564275554 /nfs/dbraw/zinc/27/55/54/564275554.db2.gz LSKSXTAJDGIERI-UHFFFAOYSA-N -2 3 380.274 3.274 20 0 GGADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1CCCC1 ZINC000014051401 564279613 /nfs/dbraw/zinc/27/96/13/564279613.db2.gz BFZYSOHYLAFZKK-UHFFFAOYSA-N -2 3 380.853 3.082 20 0 GGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000024433193 564330382 /nfs/dbraw/zinc/33/03/82/564330382.db2.gz HNUSZHDSBYXVMB-UHFFFAOYSA-N -2 3 379.287 3.223 20 0 GGADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1[N+](=O)[O-] ZINC000024433382 564330746 /nfs/dbraw/zinc/33/07/46/564330746.db2.gz CHLGDJRKGGFWMU-UHFFFAOYSA-N -2 3 388.760 3.195 20 0 GGADHL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000024433384 564330781 /nfs/dbraw/zinc/33/07/81/564330781.db2.gz QTKKRMIXLAAVSW-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2ccccc2SCC(F)(F)F)o1 ZINC000032969516 564408551 /nfs/dbraw/zinc/40/85/51/564408551.db2.gz RBZGUNZFHKALCD-UHFFFAOYSA-N -2 3 394.396 3.094 20 0 GGADHL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000033007189 564408668 /nfs/dbraw/zinc/40/86/68/564408668.db2.gz VAZXOJCVBDFNDS-UHFFFAOYSA-N -2 3 380.853 3.439 20 0 GGADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000036833093 564419478 /nfs/dbraw/zinc/41/94/78/564419478.db2.gz HVTYRFFWHNHBNE-CYBMUJFWSA-N -2 3 382.507 3.372 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000042796568 564451159 /nfs/dbraw/zinc/45/11/59/564451159.db2.gz KMBZZXBSJBBAQF-UHFFFAOYSA-N -3 3 383.809 3.154 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])sc1Br ZINC000123583813 564454188 /nfs/dbraw/zinc/45/41/88/564454188.db2.gz FETVMMFAEINNRM-WCBMZHEXSA-N -2 3 398.344 3.377 20 0 GGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(Br)s2)CCCCC1 ZINC000043413501 564457991 /nfs/dbraw/zinc/45/79/91/564457991.db2.gz WGWBBMHXVYXGNO-UHFFFAOYSA-N -2 3 396.328 3.214 20 0 GGADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1F ZINC000123768426 564461476 /nfs/dbraw/zinc/46/14/76/564461476.db2.gz RPIQVDODZRBNIW-UHFFFAOYSA-N -2 3 386.470 3.005 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1sccc1Br)c1cccs1 ZINC000048444404 564540014 /nfs/dbraw/zinc/54/00/14/564540014.db2.gz OHFMFLPHJBAPSV-MRVPVSSYSA-N -2 3 396.309 3.066 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000052471759 564572701 /nfs/dbraw/zinc/57/27/01/564572701.db2.gz YKHNVDVRNNQVTO-UHFFFAOYSA-N -2 3 375.324 3.213 20 0 GGADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1cc(F)c(F)cc1F ZINC000127268898 564579024 /nfs/dbraw/zinc/57/90/24/564579024.db2.gz LAAASIBWAQKZBJ-UHFFFAOYSA-N -2 3 396.184 3.051 20 0 GGADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1ccc(F)cc1Cl ZINC000127274558 564579155 /nfs/dbraw/zinc/57/91/55/564579155.db2.gz SAIWNBFKVCUPIS-UHFFFAOYSA-N -2 3 394.649 3.426 20 0 GGADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000127330750 564581195 /nfs/dbraw/zinc/58/11/95/564581195.db2.gz YJCHJAJFHYEVAS-VIFPVBQESA-N -2 3 398.706 3.128 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])sc1Br ZINC000128058110 564605685 /nfs/dbraw/zinc/60/56/85/564605685.db2.gz UEOFFBMKMFUWHM-ZJUUUORDSA-N -2 3 396.328 3.131 20 0 GGADHL CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000055676822 564629774 /nfs/dbraw/zinc/62/97/74/564629774.db2.gz QTMPIZPLYUZMCY-UHFFFAOYSA-N -2 3 382.825 3.106 20 0 GGADHL CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000055676786 564629814 /nfs/dbraw/zinc/62/98/14/564629814.db2.gz IRMBMQHDABLDCI-UHFFFAOYSA-N -2 3 382.825 3.106 20 0 GGADHL CC(C)c1cccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1 ZINC000057116446 564660973 /nfs/dbraw/zinc/66/09/73/564660973.db2.gz GXYBPHDOVLPMHY-UHFFFAOYSA-N -2 3 386.470 3.121 20 0 GGADHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000130492493 564682807 /nfs/dbraw/zinc/68/28/07/564682807.db2.gz OXOHSPGUSCCWEH-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000131886898 564726966 /nfs/dbraw/zinc/72/69/66/564726966.db2.gz ORFKHUJTYGGSFP-QMMMGPOBSA-N -2 3 384.679 3.024 20 0 GGADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nc3ccc(Cl)cc3s2)ccc1[O-] ZINC000065996752 564753662 /nfs/dbraw/zinc/75/36/62/564753662.db2.gz UXYDFTTVKAFECX-UHFFFAOYSA-N -2 3 398.849 3.243 20 0 GGADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000069073469 564832423 /nfs/dbraw/zinc/83/24/23/564832423.db2.gz WLWLIUUKGSLJDI-UHFFFAOYSA-N -2 3 379.287 3.223 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])sc1Br ZINC000135573020 564835249 /nfs/dbraw/zinc/83/52/49/564835249.db2.gz XBFVHCGREJHKNI-RNCFNFMXSA-N -2 3 396.328 3.131 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])sc1Br ZINC000135573042 564835575 /nfs/dbraw/zinc/83/55/75/564835575.db2.gz XBFVHCGREJHKNI-ZANVPECISA-N -2 3 396.328 3.131 20 0 GGADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000136742130 564854603 /nfs/dbraw/zinc/85/46/03/564854603.db2.gz YPRQJQOCVUIIFH-NSHDSACASA-N -2 3 398.706 3.270 20 0 GGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000078751738 564865191 /nfs/dbraw/zinc/86/51/91/564865191.db2.gz OGTXEROQZOOMTQ-UHFFFAOYSA-N -2 3 394.243 3.457 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)ccc1Cl ZINC000084475291 564869397 /nfs/dbraw/zinc/86/93/97/564869397.db2.gz PERGJTFROQVUKX-UHFFFAOYSA-N -2 3 377.752 3.440 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1Br ZINC000152281879 564953239 /nfs/dbraw/zinc/95/32/39/564953239.db2.gz VTEINLACGHYXRV-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1Br ZINC000152472989 564960583 /nfs/dbraw/zinc/96/05/83/564960583.db2.gz TUYKZSNQLBEVKV-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000155551138 565068931 /nfs/dbraw/zinc/06/89/31/565068931.db2.gz GLAGAWOOOGYULG-SSDOTTSWSA-N -2 3 395.289 3.066 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000184897842 565163264 /nfs/dbraw/zinc/16/32/64/565163264.db2.gz MULQSCOWRCSSEZ-VHSXEESVSA-N -2 3 385.791 3.438 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1nc(C(C)(C)C)cs1 ZINC000185010337 565171389 /nfs/dbraw/zinc/17/13/89/565171389.db2.gz RYZFXFHDJYJBLX-SECBINFHSA-N -2 3 386.470 3.317 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1nc(C(C)(C)C)cs1 ZINC000185010320 565171891 /nfs/dbraw/zinc/17/18/91/565171891.db2.gz RYZFXFHDJYJBLX-VIFPVBQESA-N -2 3 386.470 3.317 20 0 GGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)C2CC2)n1 ZINC000185065338 565175112 /nfs/dbraw/zinc/17/51/12/565175112.db2.gz NPYCXPMZNFEEIZ-HNNXBMFYSA-N -2 3 380.491 3.196 20 0 GGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C2CC2)n1 ZINC000185065060 565175466 /nfs/dbraw/zinc/17/54/66/565175466.db2.gz ANQZKYYPQDNEGN-ZDUSSCGKSA-N -2 3 386.882 3.233 20 0 GGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C2CC2)n1 ZINC000185065294 565175674 /nfs/dbraw/zinc/17/56/74/565175674.db2.gz AARSCQMAIARPBW-ZDUSSCGKSA-N -2 3 386.882 3.233 20 0 GGADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)C2CC2)s1 ZINC000185069122 565176534 /nfs/dbraw/zinc/17/65/34/565176534.db2.gz XJXXWCHJDLJWAG-AWEZNQCLSA-N -2 3 384.454 3.027 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)cs1 ZINC000185987180 565233443 /nfs/dbraw/zinc/23/34/43/565233443.db2.gz CKDQTBZEGJKJHO-NSHDSACASA-N -2 3 379.381 3.071 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)sc1C(=O)[O-] ZINC000185987229 565233509 /nfs/dbraw/zinc/23/35/09/565233509.db2.gz YITNMJPWUVUKCU-LLVKDONJSA-N -2 3 393.408 3.379 20 0 GGADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000295978564 565296351 /nfs/dbraw/zinc/29/63/51/565296351.db2.gz OCFSFNRELSZJFU-UHFFFAOYSA-N -2 3 398.428 3.277 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cc1 ZINC000190077686 565506342 /nfs/dbraw/zinc/50/63/42/565506342.db2.gz SQYYSWGVHNEVNQ-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cs1 ZINC000190078999 565506435 /nfs/dbraw/zinc/50/64/35/565506435.db2.gz SETHVSDWLJGDGC-UHFFFAOYSA-N -2 3 398.206 3.288 20 0 GGADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000172897123 565511042 /nfs/dbraw/zinc/51/10/42/565511042.db2.gz CSXCZRLRKWSNRM-UHFFFAOYSA-N -2 3 382.507 3.291 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)sc1Cl ZINC000190221140 565516077 /nfs/dbraw/zinc/51/60/77/565516077.db2.gz AQXWYJAHFGHMLF-UHFFFAOYSA-N -2 3 398.890 3.021 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)sc1Cl ZINC000190303644 565521319 /nfs/dbraw/zinc/52/13/19/565521319.db2.gz ZWTPOPBGJXLDSB-UHFFFAOYSA-N -2 3 394.927 3.191 20 0 GGADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000383733811 565544108 /nfs/dbraw/zinc/54/41/08/565544108.db2.gz MLTVFQFMBBMRII-UHFFFAOYSA-N -2 3 381.837 3.472 20 0 GGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000388223536 565550972 /nfs/dbraw/zinc/55/09/72/565550972.db2.gz XFGVKXSTTADYTH-ZJUUUORDSA-N -2 3 396.278 3.146 20 0 GGADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000391732572 565561326 /nfs/dbraw/zinc/56/13/26/565561326.db2.gz MVCQNBSDKFWMJG-VIFPVBQESA-N -2 3 384.679 3.024 20 0 GGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCCC1 ZINC000392822967 565567142 /nfs/dbraw/zinc/56/71/42/565567142.db2.gz IAKMAPJTRWZUPQ-UHFFFAOYSA-N -2 3 379.400 3.409 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)ccc1Br ZINC000315890174 565590284 /nfs/dbraw/zinc/59/02/84/565590284.db2.gz KZZNGRFCVSMNIE-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)CC(=O)[O-] ZINC000316198809 565591781 /nfs/dbraw/zinc/59/17/81/565591781.db2.gz PDBOTAQZAZATGO-JTQLQIEISA-N -2 3 396.278 3.004 20 0 GGADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000318654180 565597448 /nfs/dbraw/zinc/59/74/48/565597448.db2.gz SZEMMUBQJOZNTA-JTQLQIEISA-N -2 3 396.278 3.146 20 0 GGADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)Cc1ccsc1 ZINC000324419042 565617977 /nfs/dbraw/zinc/61/79/77/565617977.db2.gz SXCWXCFFINSKQI-VIFPVBQESA-N -2 3 389.882 3.018 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000325391765 565620999 /nfs/dbraw/zinc/62/09/99/565620999.db2.gz MTCRQQULXMCJOZ-SECBINFHSA-N -2 3 387.807 3.384 20 0 GGADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Br)cc(Cl)c1[O-] ZINC000174245404 565623879 /nfs/dbraw/zinc/62/38/79/565623879.db2.gz XYXXRGYSYHIPRB-UHFFFAOYSA-N -2 3 385.527 3.197 20 0 GGADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Br)cc(Cl)c1[O-] ZINC000174245404 565623880 /nfs/dbraw/zinc/62/38/80/565623880.db2.gz XYXXRGYSYHIPRB-UHFFFAOYSA-N -2 3 385.527 3.197 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc2c1N=S=N2)c1ccccc1Cl ZINC000326214953 565624016 /nfs/dbraw/zinc/62/40/16/565624016.db2.gz FUQDNNGJGJNHGJ-GFCCVEGCSA-N -2 3 383.838 3.171 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)c(Cl)c1 ZINC000326706338 565624879 /nfs/dbraw/zinc/62/48/79/565624879.db2.gz WGNHQQHCQBNXNV-GXSJLCMTSA-N -2 3 385.791 3.438 20 0 GGADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000326561288 565625244 /nfs/dbraw/zinc/62/52/44/565625244.db2.gz CZTCRRAVKUIVEW-SSDOTTSWSA-N -2 3 399.696 3.043 20 0 GGADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000327195281 565628216 /nfs/dbraw/zinc/62/82/16/565628216.db2.gz MLHSSBICUSHOFR-UHFFFAOYSA-N -2 3 379.287 3.223 20 0 GGADHL Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000327412803 565630438 /nfs/dbraw/zinc/63/04/38/565630438.db2.gz HCNFNFOLFJFISY-VIFPVBQESA-N -2 3 380.447 3.244 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])sc1Cl ZINC000327506022 565630916 /nfs/dbraw/zinc/63/09/16/565630916.db2.gz HRFIZYJJRZPERV-CYBMUJFWSA-N -2 3 398.893 3.165 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)ccc1C(=O)[O-] ZINC000327686228 565631884 /nfs/dbraw/zinc/63/18/84/565631884.db2.gz PUGDDWNQXDAJII-UHFFFAOYSA-N -2 3 375.324 3.393 20 0 GGADHL COc1cc(S(=O)(=O)[N-]c2cccc(C)c2Cl)cc(C(=O)[O-])c1OC ZINC000327558424 565632342 /nfs/dbraw/zinc/63/23/42/565632342.db2.gz BLOAEGROZSZHBB-UHFFFAOYSA-N -2 3 385.825 3.165 20 0 GGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000192701212 565706081 /nfs/dbraw/zinc/70/60/81/565706081.db2.gz NMXZXXNXRJYJSY-UHFFFAOYSA-N -2 3 388.214 3.016 20 0 GGADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000192712793 565706453 /nfs/dbraw/zinc/70/64/53/565706453.db2.gz LBQBFUBMQQZOJY-UHFFFAOYSA-N -2 3 382.507 3.256 20 0 GGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)ccc1[O-] ZINC000175690605 565717003 /nfs/dbraw/zinc/71/70/03/565717003.db2.gz FUIKZZQCDQDLMB-UHFFFAOYSA-N -2 3 399.266 3.222 20 0 GGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2C)ccc1[O-] ZINC000175689743 565717326 /nfs/dbraw/zinc/71/73/26/565717326.db2.gz HIQBMJJZMRJDDC-UHFFFAOYSA-N -2 3 399.266 3.222 20 0 GGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C2CCC(C(F)(F)F)CC2)c1 ZINC000330898292 565729046 /nfs/dbraw/zinc/72/90/46/565729046.db2.gz IEFBKDWROJEIKT-UHFFFAOYSA-N -2 3 383.363 3.232 20 0 GGADHL COc1ccc(Br)cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000193403579 565749525 /nfs/dbraw/zinc/74/95/25/565749525.db2.gz IFHWODBOIMPJKU-XVNBXDOJSA-N -2 3 393.237 3.037 20 0 GGADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)cc(Br)c1[O-] ZINC000177022739 565823165 /nfs/dbraw/zinc/82/31/65/565823165.db2.gz KKUQBUFRFCZWIE-UHFFFAOYSA-N -2 3 385.527 3.197 20 0 GGADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)cc(Br)c1[O-] ZINC000177022739 565823170 /nfs/dbraw/zinc/82/31/70/565823170.db2.gz KKUQBUFRFCZWIE-UHFFFAOYSA-N -2 3 385.527 3.197 20 0 GGADHL CCc1cc(=O)[n-]c(SCCCCCSc2nc(CC)cc(=O)[n-]2)n1 ZINC000195077030 565857975 /nfs/dbraw/zinc/85/79/75/565857975.db2.gz GERXGHUYHNERJA-UHFFFAOYSA-N -2 3 380.539 3.033 20 0 GGADHL Cc1nc(C=Cc2c(F)cccc2Br)[n-]c(=O)c1CCC(=O)[O-] ZINC000195503446 565888145 /nfs/dbraw/zinc/88/81/45/565888145.db2.gz RTHXJFJTJDOVIW-FNORWQNLSA-N -2 3 381.201 3.168 20 0 GGADHL COc1c(Br)cccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000195503390 565888260 /nfs/dbraw/zinc/88/82/60/565888260.db2.gz RCRWUKBCBFBAMH-SOFGYWHQSA-N -2 3 393.237 3.037 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@H](c2ccccc2)C(F)(F)F)cs1 ZINC000414345621 565913928 /nfs/dbraw/zinc/91/39/28/565913928.db2.gz PAKCONOYHRJTLD-GFCCVEGCSA-N -2 3 393.408 3.461 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2csc(-c3ccccc3)n2)c1 ZINC000237964488 565976998 /nfs/dbraw/zinc/97/69/98/565976998.db2.gz QVMATBDVPLIXJM-UHFFFAOYSA-N -2 3 380.472 3.048 20 0 GGADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000261675402 566128774 /nfs/dbraw/zinc/12/87/74/566128774.db2.gz LWSHTZPIXGYNDP-UHFFFAOYSA-N -2 3 396.690 3.024 20 0 GGADHL CCCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000261701392 566128871 /nfs/dbraw/zinc/12/88/71/566128871.db2.gz IMDZGEJFJJPHPX-SNVBAGLBSA-N -2 3 384.679 3.024 20 0 GGADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000261707620 566131020 /nfs/dbraw/zinc/13/10/20/566131020.db2.gz OXNBGTXYBBXINR-VIFPVBQESA-N -2 3 398.706 3.128 20 0 GGADHL CCCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000262483846 566153192 /nfs/dbraw/zinc/15/31/92/566153192.db2.gz STWDGIMRUGPNDD-SECBINFHSA-N -2 3 384.679 3.024 20 0 GGADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CC1 ZINC000263487276 566187695 /nfs/dbraw/zinc/18/76/95/566187695.db2.gz NEKLZAGOIUQBFG-UHFFFAOYSA-N -2 3 396.690 3.024 20 0 GGADHL CCc1n[n-]c([N-]C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)n1 ZINC000182254579 566192945 /nfs/dbraw/zinc/19/29/45/566192945.db2.gz OPOHSEUAKZBRAO-UHFFFAOYSA-N -2 3 382.207 3.493 20 0 GGADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(F)(F)F ZINC000290995677 566199438 /nfs/dbraw/zinc/19/94/38/566199438.db2.gz SFUFGWGJIATMFS-ZCFIWIBFSA-N -2 3 399.334 3.089 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445447191 566289932 /nfs/dbraw/zinc/28/99/32/566289932.db2.gz GXLHYVRIMNAABI-QMMMGPOBSA-N -2 3 385.854 3.197 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cc1C(=O)[O-] ZINC000509397864 566300525 /nfs/dbraw/zinc/30/05/25/566300525.db2.gz XXAYAKZQRLIALW-UHFFFAOYSA-N -2 3 375.324 3.235 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000535498046 566308313 /nfs/dbraw/zinc/30/83/13/566308313.db2.gz FJUFBUOKPOIKFE-UHFFFAOYSA-N -2 3 390.244 3.179 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1F ZINC000509628546 566323052 /nfs/dbraw/zinc/32/30/52/566323052.db2.gz KWCKQOYEAAWXSP-UHFFFAOYSA-N -2 3 394.207 3.397 20 0 GGADHL COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000535766354 566325796 /nfs/dbraw/zinc/32/57/96/566325796.db2.gz KFVVXDIMFPBGRB-UHFFFAOYSA-N -2 3 390.230 3.412 20 0 GGADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000421152617 566350070 /nfs/dbraw/zinc/35/00/70/566350070.db2.gz KXOFVUMTOYDCSJ-LLVKDONJSA-N -2 3 383.388 3.206 20 0 GGADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000421148109 566350179 /nfs/dbraw/zinc/35/01/79/566350179.db2.gz DDDQBJVLCKUNRO-ZDUSSCGKSA-N -2 3 383.388 3.206 20 0 GGADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1c(C)c(Br)ccc1[O-] ZINC000421164201 566351413 /nfs/dbraw/zinc/35/14/13/566351413.db2.gz JYOKBEKVMMTJRJ-NSHDSACASA-N -2 3 380.304 3.266 20 0 GGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000576947896 566393255 /nfs/dbraw/zinc/39/32/55/566393255.db2.gz IAVPYNLUUFADLY-SECBINFHSA-N -2 3 398.706 3.414 20 0 GGADHL Cc1c(Br)cc([N-]S(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000577235822 566416464 /nfs/dbraw/zinc/41/64/64/566416464.db2.gz QXQMLJMAHCPBLF-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c1 ZINC000537195991 566429704 /nfs/dbraw/zinc/42/97/04/566429704.db2.gz KJWAHKOGOSNDKE-UHFFFAOYSA-N -2 3 381.475 3.290 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)c(Cl)c1Cl ZINC000577385157 566431116 /nfs/dbraw/zinc/43/11/16/566431116.db2.gz DQXRMEISQUPFFK-LDYMZIIASA-N -2 3 384.281 3.026 20 0 GGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1 ZINC000447793907 566432136 /nfs/dbraw/zinc/43/21/36/566432136.db2.gz IDNJBKIUYJBDLF-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL O=C(N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1)c1ccc([O-])cc1F ZINC000577414751 566432256 /nfs/dbraw/zinc/43/22/56/566432256.db2.gz FOQIOZKIDHPMFZ-UHFFFAOYSA-N -2 3 394.175 3.497 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(OC)c2)c1 ZINC000447792161 566432322 /nfs/dbraw/zinc/43/23/22/566432322.db2.gz SAFGBDDEUBKPDR-UHFFFAOYSA-N -2 3 377.340 3.229 20 0 GGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)s1 ZINC000671645260 566433187 /nfs/dbraw/zinc/43/31/87/566433187.db2.gz HAKJZELNAWAJRQ-SECBINFHSA-N -2 3 387.445 3.367 20 0 GGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)s1 ZINC000671645261 566433516 /nfs/dbraw/zinc/43/35/16/566433516.db2.gz HAKJZELNAWAJRQ-VIFPVBQESA-N -2 3 387.445 3.367 20 0 GGADHL O=c1[n-]c(-c2ccc([O-])c(I)c2)nc2ccc(F)cc12 ZINC000537332692 566439444 /nfs/dbraw/zinc/43/94/44/566439444.db2.gz XJBFLNJUZZJACY-UHFFFAOYSA-N -2 3 382.132 3.452 20 0 GGADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)CC(=O)[O-] ZINC000650412936 566452713 /nfs/dbraw/zinc/45/27/13/566452713.db2.gz UJOSIBGGEITTME-QMMMGPOBSA-N -2 3 389.779 3.018 20 0 GGADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650412981 566452772 /nfs/dbraw/zinc/45/27/72/566452772.db2.gz WNBRRMFPAIBIGR-QMMMGPOBSA-N -2 3 389.779 3.018 20 0 GGADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650413230 566452843 /nfs/dbraw/zinc/45/28/43/566452843.db2.gz XUTCGOFVQDIZBM-GFCCVEGCSA-N -2 3 389.779 3.018 20 0 GGADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650421530 566454328 /nfs/dbraw/zinc/45/43/28/566454328.db2.gz MSFCJIIOTJCVOF-MRVPVSSYSA-N -2 3 389.779 3.018 20 0 GGADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CC1 ZINC000650427745 566454625 /nfs/dbraw/zinc/45/46/25/566454625.db2.gz QWLBFHFHPKMMLZ-NSHDSACASA-N -2 3 387.885 3.051 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cc1C(=O)[O-] ZINC000484809048 566455897 /nfs/dbraw/zinc/45/58/97/566455897.db2.gz NPYYEYDFGQCTON-SNVBAGLBSA-N -2 3 381.837 3.471 20 0 GGADHL CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c2cc(F)ccc2O1 ZINC000650443671 566456023 /nfs/dbraw/zinc/45/60/23/566456023.db2.gz LYUNSPDXDCJUBE-LLVKDONJSA-N -2 3 385.438 3.166 20 0 GGADHL CC1(C)C[C@H]([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c2cc(F)ccc2O1 ZINC000650443672 566456525 /nfs/dbraw/zinc/45/65/25/566456525.db2.gz LYUNSPDXDCJUBE-NSHDSACASA-N -2 3 385.438 3.166 20 0 GGADHL O=C([O-])CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000484854716 566459789 /nfs/dbraw/zinc/45/97/89/566459789.db2.gz GPQYJLQUGDHPDY-AWEZNQCLSA-N -2 3 385.844 3.234 20 0 GGADHL O=C([O-])CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000484851066 566460235 /nfs/dbraw/zinc/46/02/35/566460235.db2.gz OTKUKYGZKYRJSQ-CYBMUJFWSA-N -2 3 385.844 3.234 20 0 GGADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000485084369 566473414 /nfs/dbraw/zinc/47/34/14/566473414.db2.gz HSRZEVKFPUPSIA-LLVKDONJSA-N -2 3 396.278 3.146 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000485194940 566481441 /nfs/dbraw/zinc/48/14/41/566481441.db2.gz UJOBIXQLEVRNHQ-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000485194940 566481445 /nfs/dbraw/zinc/48/14/45/566481445.db2.gz UJOBIXQLEVRNHQ-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485384858 566493867 /nfs/dbraw/zinc/49/38/67/566493867.db2.gz HGMCFNFHGLDNOO-UHFFFAOYSA-N -2 3 395.289 3.166 20 0 GGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1OC(F)F ZINC000578190343 566499604 /nfs/dbraw/zinc/49/96/04/566499604.db2.gz CVZOHGKQEIODAM-LLVKDONJSA-N -2 3 375.349 3.009 20 0 GGADHL CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c1 ZINC000578251813 566505453 /nfs/dbraw/zinc/50/54/53/566505453.db2.gz QTTGHHZCJKCCDS-UHFFFAOYSA-N -2 3 377.857 3.273 20 0 GGADHL CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1 ZINC000578251813 566505461 /nfs/dbraw/zinc/50/54/61/566505461.db2.gz QTTGHHZCJKCCDS-UHFFFAOYSA-N -2 3 377.857 3.273 20 0 GGADHL O=c1[n-]c(-c2ccc(I)c([O-])c2)nc2cc(F)ccc12 ZINC000538430453 566512977 /nfs/dbraw/zinc/51/29/77/566512977.db2.gz FFSGEWMWVFFOMU-UHFFFAOYSA-N -2 3 382.132 3.452 20 0 GGADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000559076051 566524836 /nfs/dbraw/zinc/52/48/36/566524836.db2.gz ZYSSQLLOTGGKCP-SECBINFHSA-N -2 3 398.706 3.270 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCSc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC000578503932 566528735 /nfs/dbraw/zinc/52/87/35/566528735.db2.gz SEMLYZQOYKOHGZ-LBPRGKRZSA-N -2 3 387.866 3.455 20 0 GGADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000424370263 566530255 /nfs/dbraw/zinc/53/02/55/566530255.db2.gz SNLDBBXWXFKDHB-UHFFFAOYSA-N -2 3 385.816 3.111 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2ccccc2Br)c1F ZINC000559198477 566533451 /nfs/dbraw/zinc/53/34/51/566533451.db2.gz CMZXXGDVWDIBJG-UHFFFAOYSA-N -2 3 388.214 3.228 20 0 GGADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000578754318 566552494 /nfs/dbraw/zinc/55/24/94/566552494.db2.gz YIKSGJUCYSKKET-PRHODGIISA-N -2 3 398.706 3.126 20 0 GGADHL COc1cc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1C ZINC000579275707 566595515 /nfs/dbraw/zinc/59/55/15/566595515.db2.gz KGJKVFCFTMFVMB-UHFFFAOYSA-N -2 3 385.825 3.165 20 0 GGADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3F)cc(Cl)c2O1 ZINC000605496963 566610612 /nfs/dbraw/zinc/61/06/12/566610612.db2.gz ZHAKUXQLBLSOPD-QMMMGPOBSA-N -2 3 385.800 3.302 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)ccc1C(=O)[O-] ZINC000605495877 566610836 /nfs/dbraw/zinc/61/08/36/566610836.db2.gz SBUOEPNMRSIDSN-JTQLQIEISA-N -2 3 381.837 3.471 20 0 GGADHL Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n1 ZINC000579468797 566611261 /nfs/dbraw/zinc/61/12/61/566611261.db2.gz KYUKVBKMGSWROW-QMMMGPOBSA-N -2 3 394.396 3.208 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000539930434 566615599 /nfs/dbraw/zinc/61/55/99/566615599.db2.gz DHXFNYUOZXSMCU-SSDOTTSWSA-N -2 3 395.289 3.066 20 0 GGADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-] ZINC000629295482 566639457 /nfs/dbraw/zinc/63/94/57/566639457.db2.gz PXWQNJWKFOXVEH-JTQLQIEISA-N -2 3 396.278 3.208 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCCCc2ccccc21 ZINC000579829255 566642861 /nfs/dbraw/zinc/64/28/61/566642861.db2.gz AXVXKNJZEXCIQG-ZDUSSCGKSA-N -2 3 381.475 3.201 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCc2cc(Cl)ccc21 ZINC000629338215 566645801 /nfs/dbraw/zinc/64/58/01/566645801.db2.gz DBCSVJMFYKDLRM-NSHDSACASA-N -2 3 387.866 3.074 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c1 ZINC000540498071 566654565 /nfs/dbraw/zinc/65/45/65/566654565.db2.gz PEVJJBLRVKOGLZ-UHFFFAOYSA-N -2 3 376.203 3.103 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653494475 566672039 /nfs/dbraw/zinc/67/20/39/566672039.db2.gz ALEJRKOGOWIMFK-ADEWGFFLSA-N -2 3 379.400 3.119 20 0 GGADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cc1F ZINC000467946542 566676805 /nfs/dbraw/zinc/67/68/05/566676805.db2.gz ALPFCKBNFQWAHG-UHFFFAOYSA-N -2 3 391.779 3.434 20 0 GGADHL COc1ccccc1N=c1[n-]nc(S[C@H](C)c2nc(C)cc(=O)[n-]2)s1 ZINC000487721125 566688589 /nfs/dbraw/zinc/68/85/89/566688589.db2.gz OPCMSLDJMHHOOQ-SNVBAGLBSA-N -2 3 375.479 3.370 20 0 GGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000580389933 566689640 /nfs/dbraw/zinc/68/96/40/566689640.db2.gz GPASSKXAOYRMJR-UHFFFAOYSA-N -2 3 385.850 3.338 20 0 GGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000561443881 566705979 /nfs/dbraw/zinc/70/59/79/566705979.db2.gz NGNMUXPSEBMHPE-SECBINFHSA-N -2 3 387.351 3.036 20 0 GGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000561443882 566706203 /nfs/dbraw/zinc/70/62/03/566706203.db2.gz NGNMUXPSEBMHPE-VIFPVBQESA-N -2 3 387.351 3.036 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000580638456 566709860 /nfs/dbraw/zinc/70/98/60/566709860.db2.gz YHILJSWPIDLLMK-BDJLRTHQSA-N -2 3 383.853 3.089 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000580638459 566709937 /nfs/dbraw/zinc/70/99/37/566709937.db2.gz YHILJSWPIDLLMK-BZNIZROVSA-N -2 3 383.853 3.089 20 0 GGADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000580636741 566710742 /nfs/dbraw/zinc/71/07/42/566710742.db2.gz JBZZUCFPEKDMKO-LBPRGKRZSA-N -2 3 393.248 3.093 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])s1 ZINC000515575079 566722425 /nfs/dbraw/zinc/72/24/25/566722425.db2.gz ZJINQCYMUOPHMT-MFKMUULPSA-N -2 3 396.328 3.131 20 0 GGADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)c(F)c1 ZINC000450956455 566723471 /nfs/dbraw/zinc/72/34/71/566723471.db2.gz IHHAZSDREXMDKN-UHFFFAOYSA-N -2 3 386.470 3.087 20 0 GGADHL COc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)c(Br)c1[O-] ZINC000426798016 566730530 /nfs/dbraw/zinc/73/05/30/566730530.db2.gz CXHMMUDJXZSBRH-NSHDSACASA-N -2 3 384.226 3.370 20 0 GGADHL C/C=C/c1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cc1 ZINC000561702560 566730924 /nfs/dbraw/zinc/73/09/24/566730924.db2.gz VWIBQFYVHBHIAE-ONEGZZNKSA-N -2 3 384.454 3.031 20 0 GGADHL COc1ccc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)c(Br)c1[O-] ZINC000426798015 566731510 /nfs/dbraw/zinc/73/15/10/566731510.db2.gz CXHMMUDJXZSBRH-LLVKDONJSA-N -2 3 384.226 3.370 20 0 GGADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccc(C(F)(F)F)cc1 ZINC000580890695 566732881 /nfs/dbraw/zinc/73/28/81/566732881.db2.gz OYCAOXQUJQVLKU-VIFPVBQESA-N -2 3 377.340 3.079 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1(C)CCCCC1 ZINC000580932051 566735797 /nfs/dbraw/zinc/73/57/97/566735797.db2.gz OJSWIZMBYBEKRQ-AWEZNQCLSA-N -2 3 375.874 3.051 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000516333733 566757592 /nfs/dbraw/zinc/75/75/92/566757592.db2.gz PPYVWYUFQWQWGH-UHFFFAOYSA-N -3 3 383.809 3.154 20 0 GGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c1 ZINC000427242265 566759684 /nfs/dbraw/zinc/75/96/84/566759684.db2.gz MXINISVXKKDODI-LLVKDONJSA-N -2 3 379.400 3.326 20 0 GGADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc([O-])cc(Br)c2)no1 ZINC000451105380 566759974 /nfs/dbraw/zinc/75/99/74/566759974.db2.gz MPYPAETVHJWZJC-UHFFFAOYSA-N -2 3 389.271 3.382 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1Br ZINC000427313229 566765549 /nfs/dbraw/zinc/76/55/49/566765549.db2.gz INONHYAWQCXIOS-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000678110266 566781109 /nfs/dbraw/zinc/78/11/09/566781109.db2.gz QGRPZRMDONNPRK-UHFFFAOYSA-N -2 3 390.230 3.493 20 0 GGADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000581510347 566782727 /nfs/dbraw/zinc/78/27/27/566782727.db2.gz PEIXRPBVVFOFMH-UHFFFAOYSA-N -2 3 390.433 3.105 20 0 GGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000562360661 566785026 /nfs/dbraw/zinc/78/50/26/566785026.db2.gz UVAMLEWXSFRAMJ-VIFPVBQESA-N -2 3 398.706 3.414 20 0 GGADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000562391069 566787267 /nfs/dbraw/zinc/78/72/67/566787267.db2.gz JLOVKPKNLCUSCK-PWSUYJOCSA-N -2 3 383.363 3.156 20 0 GGADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](CCSc1ccccc1)C(=O)[O-] ZINC000517002525 566798800 /nfs/dbraw/zinc/79/88/00/566798800.db2.gz RWKSOQACWPNKDY-HNNXBMFYSA-N -2 3 383.466 3.048 20 0 GGADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000562651483 566810420 /nfs/dbraw/zinc/81/04/20/566810420.db2.gz AKTSAJRENNKDJI-CABZTGNLSA-N -2 3 383.363 3.156 20 0 GGADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1 ZINC000562912591 566833903 /nfs/dbraw/zinc/83/39/03/566833903.db2.gz OPPCPYIFFNACGQ-UHFFFAOYSA-N -2 3 388.214 3.016 20 0 GGADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])c1nc(C)cs1 ZINC000582358224 566854364 /nfs/dbraw/zinc/85/43/64/566854364.db2.gz MARFIKUZHMCCEC-OAHLLOKOSA-N -2 3 388.898 3.407 20 0 GGADHL C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655873789 566855827 /nfs/dbraw/zinc/85/58/27/566855827.db2.gz XSHKTHSIXFZKMZ-ADEWGFFLSA-N -2 3 399.285 3.089 20 0 GGADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])ccc1Cl ZINC000611412077 566916743 /nfs/dbraw/zinc/91/67/43/566916743.db2.gz GBNZYYGNRRZTGK-UHFFFAOYSA-N -2 3 385.825 3.032 20 0 GGADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656563010 566917472 /nfs/dbraw/zinc/91/74/72/566917472.db2.gz MZQUFNCXUTTXQT-UHFFFAOYSA-N -2 3 384.679 3.024 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1CCC(=O)[O-] ZINC000519096300 566920224 /nfs/dbraw/zinc/92/02/24/566920224.db2.gz QDOCWMZVGZYEKV-YPMHNXCESA-N -2 3 375.874 3.051 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CCC(=O)[O-] ZINC000519096297 566920298 /nfs/dbraw/zinc/92/02/98/566920298.db2.gz QDOCWMZVGZYEKV-AAEUAGOBSA-N -2 3 375.874 3.051 20 0 GGADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000656618365 566924400 /nfs/dbraw/zinc/92/44/00/566924400.db2.gz CVDVODLQUGJXSH-HNNXBMFYSA-N -2 3 375.874 3.375 20 0 GGADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000656618367 566924955 /nfs/dbraw/zinc/92/49/55/566924955.db2.gz CVDVODLQUGJXSH-OAHLLOKOSA-N -2 3 375.874 3.375 20 0 GGADHL CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-])C1CCCC1 ZINC000656624641 566925861 /nfs/dbraw/zinc/92/58/61/566925861.db2.gz RJTNRSGOWMYMSG-ZDUSSCGKSA-N -2 3 375.874 3.294 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc(C(=O)[O-])c1C ZINC000471133380 566931408 /nfs/dbraw/zinc/93/14/08/566931408.db2.gz KVECHRJJUKQHBA-UHFFFAOYSA-N -3 3 383.809 3.154 20 0 GGADHL C[C@@]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)(C(=O)[O-])C1CC1 ZINC000519394277 566937382 /nfs/dbraw/zinc/93/73/82/566937382.db2.gz DILPXMTYDPKNJW-KRWDZBQOSA-N -2 3 387.885 3.051 20 0 GGADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)s1 ZINC000519510418 566942383 /nfs/dbraw/zinc/94/23/83/566942383.db2.gz SIFIGHUOVRMYSY-AWEZNQCLSA-N -2 3 382.507 3.243 20 0 GGADHL CCCc1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)o1 ZINC000583385132 566946563 /nfs/dbraw/zinc/94/65/63/566946563.db2.gz TXMDLRSWRQKHFM-UHFFFAOYSA-N -2 3 386.495 3.163 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]Cc2cc(F)c(C(=O)[O-])c(F)c2)sc1Cl ZINC000519578112 566948414 /nfs/dbraw/zinc/94/84/14/566948414.db2.gz XFXUACFTWWTWRF-UHFFFAOYSA-N -2 3 381.809 3.165 20 0 GGADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C2CC2)s1 ZINC000519597073 566949707 /nfs/dbraw/zinc/94/97/07/566949707.db2.gz DRBMJAWCQVUBNZ-CYBMUJFWSA-N -2 3 386.882 3.233 20 0 GGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(=O)[O-] ZINC000519615686 566952174 /nfs/dbraw/zinc/95/21/74/566952174.db2.gz MZKHEDAIJQCXEW-ZJUUUORDSA-N -2 3 385.379 3.402 20 0 GGADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)CCCC2)n1 ZINC000564458805 566978050 /nfs/dbraw/zinc/97/80/50/566978050.db2.gz WCZHZKFDOSUNQR-UHFFFAOYSA-N -2 3 386.520 3.267 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1cccs1 ZINC000681556669 566985595 /nfs/dbraw/zinc/98/55/95/566985595.db2.gz CNPPFMWKXLGFIJ-LBPRGKRZSA-N -2 3 377.846 3.176 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(F)ccc2F)c(Cl)cc1F ZINC000681567159 566987246 /nfs/dbraw/zinc/98/72/46/566987246.db2.gz KGZWUOGIWWPXPR-CQSZACIVSA-N -2 3 393.770 3.170 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccc(F)cc1F ZINC000681575211 566987984 /nfs/dbraw/zinc/98/79/84/566987984.db2.gz MDCCUONEJPFRTQ-ZDUSSCGKSA-N -2 3 393.770 3.252 20 0 GGADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000681573334 566988481 /nfs/dbraw/zinc/98/84/81/566988481.db2.gz TXRJREFIZIMNSK-MRVPVSSYSA-N -2 3 387.788 3.239 20 0 GGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000681577114 566989582 /nfs/dbraw/zinc/98/95/82/566989582.db2.gz LQOULRFDCQPWMJ-GFCCVEGCSA-N -2 3 388.272 3.215 20 0 GGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000681577656 566989692 /nfs/dbraw/zinc/98/96/92/566989692.db2.gz VRCHVMNRDALXFL-LBPRGKRZSA-N -2 3 388.272 3.215 20 0 GGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000681577428 566989785 /nfs/dbraw/zinc/98/97/85/566989785.db2.gz ULZSCZVNVOXSLO-LBPRGKRZSA-N -2 3 388.272 3.215 20 0 GGADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000681578662 566990128 /nfs/dbraw/zinc/99/01/28/566990128.db2.gz QVZWQCCHNHMPRI-HNNXBMFYSA-N -2 3 376.459 3.099 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)c(Br)cc2C)c1 ZINC000471992587 566993421 /nfs/dbraw/zinc/99/34/21/566993421.db2.gz OYRGZKRDSFJCEK-UHFFFAOYSA-N -2 3 390.230 3.412 20 0 GGADHL O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000564638118 566994280 /nfs/dbraw/zinc/99/42/80/566994280.db2.gz TURMYJIZOUXJQC-NSHDSACASA-N -2 3 393.408 3.131 20 0 GGADHL C/C=C\c1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000564682125 566997327 /nfs/dbraw/zinc/99/73/27/566997327.db2.gz TYGBRVHVRHCGBH-ARJAWSKDSA-N -2 3 384.454 3.031 20 0 GGADHL C/C=C/c1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000564682128 566997987 /nfs/dbraw/zinc/99/79/87/566997987.db2.gz TYGBRVHVRHCGBH-ONEGZZNKSA-N -2 3 384.454 3.031 20 0 GGADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC000564851498 567013329 /nfs/dbraw/zinc/01/33/29/567013329.db2.gz JEZWANOERFVMRH-GXSJLCMTSA-N -2 3 388.536 3.348 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)c(Cl)c1Cl ZINC000564843148 567013465 /nfs/dbraw/zinc/01/34/65/567013465.db2.gz HAPIRWBIGCBLKS-VIFPVBQESA-N -2 3 398.308 3.417 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000564920095 567020744 /nfs/dbraw/zinc/02/07/44/567020744.db2.gz YUQXHPAUZLMTQV-LBPRGKRZSA-N -2 3 387.866 3.292 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC000584449544 567043997 /nfs/dbraw/zinc/04/39/97/567043997.db2.gz LKSUCQSQHIEDQZ-INIZCTEOSA-N -2 3 383.853 3.070 20 0 GGADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000565308047 567057706 /nfs/dbraw/zinc/05/77/06/567057706.db2.gz QCGBTPNIWKKHCU-NSHDSACASA-N -2 3 398.706 3.270 20 0 GGADHL Cc1sccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000634795811 567063449 /nfs/dbraw/zinc/06/34/49/567063449.db2.gz PTPGMIBHPZMJEX-UHFFFAOYSA-N -2 3 392.499 3.147 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(F)ccc2F)sc1Cl ZINC000682698295 567067495 /nfs/dbraw/zinc/06/74/95/567067495.db2.gz IYFCRRZCYMUMFH-LLVKDONJSA-N -2 3 381.809 3.092 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1c2ccccc2CC[C@@H]1C ZINC000584778310 567070383 /nfs/dbraw/zinc/07/03/83/567070383.db2.gz VCPKKCLZUKMYHG-ZUZCIYMTSA-N -2 3 381.475 3.057 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1c2ccccc2CC[C@H]1C ZINC000584778306 567070912 /nfs/dbraw/zinc/07/09/12/567070912.db2.gz VCPKKCLZUKMYHG-BMIGLBTASA-N -2 3 381.475 3.057 20 0 GGADHL COc1ccsc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000584874450 567077382 /nfs/dbraw/zinc/07/73/82/567077382.db2.gz SPMQFYRXRYNMGY-NSHDSACASA-N -2 3 396.273 3.168 20 0 GGADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)CCC(=O)[O-] ZINC000682896702 567079633 /nfs/dbraw/zinc/07/96/33/567079633.db2.gz PALBLHVIPVUTKU-UHFFFAOYSA-N -2 3 385.379 3.404 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1cccs1 ZINC000682896995 567081426 /nfs/dbraw/zinc/08/14/26/567081426.db2.gz YXUORJVRDCFRQF-SNVBAGLBSA-N -2 3 397.371 3.400 20 0 GGADHL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000521852664 567083336 /nfs/dbraw/zinc/08/33/36/567083336.db2.gz VPTDYMAWJOMYML-UHFFFAOYSA-N -2 3 396.877 3.136 20 0 GGADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c[n-]1 ZINC000586754221 567093291 /nfs/dbraw/zinc/09/32/91/567093291.db2.gz FRADPMYRTMXWKQ-UHFFFAOYSA-N -2 3 397.762 3.059 20 0 GGADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000565749972 567095852 /nfs/dbraw/zinc/09/58/52/567095852.db2.gz UDNWNRXQRXQOFM-UHFFFAOYSA-N -2 3 375.874 3.051 20 0 GGADHL Cc1c([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cccc1C(=O)[O-] ZINC000522882199 567134748 /nfs/dbraw/zinc/13/47/48/567134748.db2.gz LEDNXUUBMRYHEU-VIFPVBQESA-N -2 3 381.837 3.471 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)cs1 ZINC000614772179 567138148 /nfs/dbraw/zinc/13/81/48/567138148.db2.gz MBMKFEZLWVYBKY-UHFFFAOYSA-N -2 3 389.838 3.062 20 0 GGADHL Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000566312020 567149051 /nfs/dbraw/zinc/14/90/51/567149051.db2.gz MUVBUDCOPJXVAV-MRVPVSSYSA-N -2 3 394.396 3.208 20 0 GGADHL Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000566312023 567149152 /nfs/dbraw/zinc/14/91/52/567149152.db2.gz MUVBUDCOPJXVAV-QMMMGPOBSA-N -2 3 394.396 3.208 20 0 GGADHL O=C(N=c1nc(Cc2ccc(F)cc2F)[n-]s1)c1cc([O-])ccc1Cl ZINC000566534066 567164028 /nfs/dbraw/zinc/16/40/28/567164028.db2.gz NILDBGUKBIWFFD-UHFFFAOYSA-N -2 3 381.791 3.440 20 0 GGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)C2CC2)n1 ZINC000546969814 567174542 /nfs/dbraw/zinc/17/45/42/567174542.db2.gz GTWKIKYQFWFVOB-AWEZNQCLSA-N -2 3 384.454 3.027 20 0 GGADHL COc1ccc(CN=c2[n-]nc(-c3ccccn3)s2)c(Br)c1[O-] ZINC000432731561 567183458 /nfs/dbraw/zinc/18/34/58/567183458.db2.gz PNCYZLNFUVZWKF-UHFFFAOYSA-N -2 3 393.266 3.111 20 0 GGADHL CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)cc1 ZINC000432775049 567188435 /nfs/dbraw/zinc/18/84/35/567188435.db2.gz GOMFSHLTDJHQNU-UHFFFAOYSA-N -2 3 399.266 3.014 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2c[nH]c3cc(Cl)ccc23)c1 ZINC000684562692 567215938 /nfs/dbraw/zinc/21/59/38/567215938.db2.gz LBCLFNCRYDNIKG-UHFFFAOYSA-N -2 3 384.866 3.102 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1cccs1 ZINC000547546282 567218192 /nfs/dbraw/zinc/21/81/92/567218192.db2.gz FLZPVXFNPYHNTD-LLVKDONJSA-N -2 3 383.344 3.010 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000547546252 567218441 /nfs/dbraw/zinc/21/84/41/567218441.db2.gz CLFSQQBFSIRMIB-AWEZNQCLSA-N -2 3 390.244 3.106 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1F ZINC000547547154 567219127 /nfs/dbraw/zinc/21/91/27/567219127.db2.gz OEQPUUMNNCNBEE-ZDUSSCGKSA-N -2 3 378.208 3.237 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)c(Cl)c1Cl ZINC000547559600 567219863 /nfs/dbraw/zinc/21/98/63/567219863.db2.gz CGSOWUUGDUGCAF-AWEZNQCLSA-N -2 3 390.244 3.106 20 0 GGADHL CCc1nc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)ccc1C(=O)[O-] ZINC000547564978 567221500 /nfs/dbraw/zinc/22/15/00/567221500.db2.gz HMSQXJHGUKSYDH-UHFFFAOYSA-N -2 3 389.260 3.128 20 0 GGADHL Cc1cccc(C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC000547565628 567221808 /nfs/dbraw/zinc/22/18/08/567221808.db2.gz NVRQSFOKOWZCLU-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL CC[C@@](C)(C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000547566935 567221921 /nfs/dbraw/zinc/22/19/21/567221921.db2.gz ASRIGSPNESXRJL-HNNXBMFYSA-N -2 3 388.898 3.243 20 0 GGADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(Br)s2)(CC(=O)[O-])C1 ZINC000547568333 567222788 /nfs/dbraw/zinc/22/27/88/567222788.db2.gz LTZKXLCQRZAARA-NOZJJQNGSA-N -2 3 396.328 3.070 20 0 GGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000547572677 567223093 /nfs/dbraw/zinc/22/30/93/567223093.db2.gz NEKRXQXHSCGFGZ-VIFPVBQESA-N -2 3 398.706 3.414 20 0 GGADHL Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Br ZINC000547570237 567223159 /nfs/dbraw/zinc/22/31/59/567223159.db2.gz VJSXYSGSJUGHQI-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cccc(C[C@@H](C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)C(=O)[O-])c1 ZINC000547574706 567224413 /nfs/dbraw/zinc/22/44/13/567224413.db2.gz ILIBPHHUGBFEPN-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547581292 567226223 /nfs/dbraw/zinc/22/62/23/567226223.db2.gz NODOYGFOCZMKIB-JTQLQIEISA-N -2 3 396.278 3.146 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(F)cc1F ZINC000547614728 567231729 /nfs/dbraw/zinc/23/17/29/567231729.db2.gz KGOJJKFZJAJULM-AWEZNQCLSA-N -2 3 393.770 3.170 20 0 GGADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000547617858 567232938 /nfs/dbraw/zinc/23/29/38/567232938.db2.gz PGRXNHNFAAMTSU-ZDUSSCGKSA-N -2 3 375.780 3.031 20 0 GGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000547638821 567235187 /nfs/dbraw/zinc/23/51/87/567235187.db2.gz DSPFQNNDFFYHOI-MRVPVSSYSA-N -2 3 398.706 3.270 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000567446104 567246512 /nfs/dbraw/zinc/24/65/12/567246512.db2.gz FSLOVWXHMGOAIN-BXUZGUMPSA-N -2 3 375.874 3.051 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000567446105 567246643 /nfs/dbraw/zinc/24/66/43/567246643.db2.gz FSLOVWXHMGOAIN-FZMZJTMJSA-N -2 3 375.874 3.051 20 0 GGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C2CC2)n1 ZINC000567468589 567249892 /nfs/dbraw/zinc/24/98/92/567249892.db2.gz XLLUIZCMKSTAAA-CYBMUJFWSA-N -2 3 386.882 3.233 20 0 GGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccccc1 ZINC000547882897 567255516 /nfs/dbraw/zinc/25/55/16/567255516.db2.gz YDHPLYMBYVXBST-HNNXBMFYSA-N -2 3 379.821 3.499 20 0 GGADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)s1 ZINC000547884291 567255525 /nfs/dbraw/zinc/25/55/25/567255525.db2.gz FCSWETTXPASQBB-AWEZNQCLSA-N -2 3 382.507 3.323 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)cc1Cl ZINC000547887092 567255723 /nfs/dbraw/zinc/25/57/23/567255723.db2.gz NQARXNYBFNOZKJ-SECBINFHSA-N -2 3 398.308 3.417 20 0 GGADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000547887857 567256887 /nfs/dbraw/zinc/25/68/87/567256887.db2.gz BNKOPYYFDZAOFQ-SNVBAGLBSA-N -2 3 388.898 3.243 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])cc1Cl ZINC000547892075 567256943 /nfs/dbraw/zinc/25/69/43/567256943.db2.gz VYWUGRTZNIOUQL-ZFWWWQNUSA-N -2 3 396.292 3.314 20 0 GGADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1cc(C)sc1C ZINC000567585765 567260207 /nfs/dbraw/zinc/26/02/07/567260207.db2.gz UDZATCOCZJZDTB-SECBINFHSA-N -2 3 387.454 3.250 20 0 GGADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(F)F ZINC000685208812 567261541 /nfs/dbraw/zinc/26/15/41/567261541.db2.gz IFPASQAJHKLDHB-SNVBAGLBSA-N -2 3 377.796 3.128 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1c(Cl)cccc1Cl ZINC000547911738 567262345 /nfs/dbraw/zinc/26/23/45/567262345.db2.gz TVEHBOKPZYRKGM-CYBMUJFWSA-N -2 3 396.198 3.376 20 0 GGADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000547931540 567265266 /nfs/dbraw/zinc/26/52/66/567265266.db2.gz CYEADYUPJGXRFQ-BXKDBHETSA-N -2 3 396.278 3.146 20 0 GGADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000547931842 567265664 /nfs/dbraw/zinc/26/56/64/567265664.db2.gz KZPXSDMHYMXFQD-GZMMTYOYSA-N -2 3 398.344 3.377 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)c(Cl)c1Cl ZINC000547934364 567266491 /nfs/dbraw/zinc/26/64/91/567266491.db2.gz AXORSLBTMRMVKK-JTQLQIEISA-N -2 3 384.281 3.170 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1c(Cl)cccc1Cl ZINC000547939171 567267498 /nfs/dbraw/zinc/26/74/98/567267498.db2.gz ZUPCQXBNKNZBDX-ZDUSSCGKSA-N -2 3 396.198 3.376 20 0 GGADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000567693070 567269040 /nfs/dbraw/zinc/26/90/40/567269040.db2.gz JTODUGMLHYXSRT-LDYMZIIASA-N -2 3 398.706 3.126 20 0 GGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000547964582 567270103 /nfs/dbraw/zinc/27/01/03/567270103.db2.gz BYVMQABUDXOBCU-QMMMGPOBSA-N -2 3 398.706 3.270 20 0 GGADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000475751399 567272876 /nfs/dbraw/zinc/27/28/76/567272876.db2.gz UCVCMKMAKLCPLC-UHFFFAOYSA-N -2 3 387.816 3.306 20 0 GGADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000525958002 567278394 /nfs/dbraw/zinc/27/83/94/567278394.db2.gz HQSXDZKWYBPSJA-UHFFFAOYSA-N -2 3 383.731 3.129 20 0 GGADHL CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000475829694 567279586 /nfs/dbraw/zinc/27/95/86/567279586.db2.gz IWCMZPPWQAEKIA-UHFFFAOYSA-N -2 3 381.837 3.361 20 0 GGADHL Cc1cccc([C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C(=O)[O-])c1 ZINC000548199879 567288203 /nfs/dbraw/zinc/28/82/03/567288203.db2.gz OGJAJQXXHGWMSU-NSHDSACASA-N -2 3 380.274 3.468 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccccc1 ZINC000548197677 567289095 /nfs/dbraw/zinc/28/90/95/567289095.db2.gz LNHJXFLOUYNLPS-LBPRGKRZSA-N -2 3 393.770 3.463 20 0 GGADHL Cc1nc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)sc1C(=O)[O-] ZINC000548208329 567289672 /nfs/dbraw/zinc/28/96/72/567289672.db2.gz VTMYFFRNCRQSQZ-UHFFFAOYSA-N -2 3 395.289 3.076 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2Cl)C(=O)[O-])c(F)c1 ZINC000548205912 567290605 /nfs/dbraw/zinc/29/06/05/567290605.db2.gz HLENABWDRYPEIH-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1cccc(C[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)C(=O)[O-])c1 ZINC000548223542 567292704 /nfs/dbraw/zinc/29/27/04/567292704.db2.gz ZXRQRCFQPCYIOX-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000548223966 567292759 /nfs/dbraw/zinc/29/27/59/567292759.db2.gz NKVKVBZZYSSWOS-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000548224470 567293299 /nfs/dbraw/zinc/29/32/99/567293299.db2.gz ALDBWRYFPAUWIB-GFCCVEGCSA-N -2 3 392.235 3.107 20 0 GGADHL Cc1cc([C@@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C(=O)[O-])ccc1Cl ZINC000548228121 567294298 /nfs/dbraw/zinc/29/42/98/567294298.db2.gz BWVDBMPHCLJCEN-CQSZACIVSA-N -2 3 375.780 3.031 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1F ZINC000548241661 567296964 /nfs/dbraw/zinc/29/69/64/567296964.db2.gz RSYSKVQYKNURNR-CYBMUJFWSA-N -2 3 375.780 3.113 20 0 GGADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548241420 567297355 /nfs/dbraw/zinc/29/73/55/567297355.db2.gz BIUPRINCCJBALF-JTQLQIEISA-N -2 3 396.278 3.146 20 0 GGADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)c1 ZINC000548249699 567298576 /nfs/dbraw/zinc/29/85/76/567298576.db2.gz DKLVXURHGPSIBP-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000548265402 567300979 /nfs/dbraw/zinc/30/09/79/567300979.db2.gz AUTVNUDYYYJGEC-BXKDBHETSA-N -2 3 396.278 3.146 20 0 GGADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000548265407 567301019 /nfs/dbraw/zinc/30/10/19/567301019.db2.gz AUTVNUDYYYJGEC-SKDRFNHKSA-N -2 3 396.278 3.146 20 0 GGADHL O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000548265184 567301070 /nfs/dbraw/zinc/30/10/70/567301070.db2.gz WZRRBTFPRTURDX-LBPRGKRZSA-N -2 3 385.850 3.122 20 0 GGADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000548262409 567301285 /nfs/dbraw/zinc/30/12/85/567301285.db2.gz QFZQSEKIFWBFAI-NSHDSACASA-N -2 3 398.706 3.270 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000548262906 567301512 /nfs/dbraw/zinc/30/15/12/567301512.db2.gz POGOWQGLHSWEQG-MEDUHNTESA-N -2 3 383.853 3.089 20 0 GGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548262173 567301536 /nfs/dbraw/zinc/30/15/36/567301536.db2.gz HOTLPEKJIOEJMK-NXEZZACHSA-N -2 3 396.278 3.146 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1c(Cl)cccc1Cl ZINC000548267879 567302918 /nfs/dbraw/zinc/30/29/18/567302918.db2.gz CIYHIEBRHWGITC-ZDUSSCGKSA-N -2 3 378.208 3.237 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1Br ZINC000476245520 567307750 /nfs/dbraw/zinc/30/77/50/567307750.db2.gz GKQCYEXGFJNBFD-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000527051076 567309773 /nfs/dbraw/zinc/30/97/73/567309773.db2.gz XCZUHJVISVZFSY-CYBMUJFWSA-N -2 3 396.877 3.362 20 0 GGADHL O=C([O-])[C@@H](CC[N-]S(=O)(=O)c1cc(F)ccc1Cl)Cc1ccccc1 ZINC000548357419 567310632 /nfs/dbraw/zinc/31/06/32/567310632.db2.gz YFORAAQQMSQTOK-ZDUSSCGKSA-N -2 3 385.844 3.091 20 0 GGADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000527199829 567320477 /nfs/dbraw/zinc/32/04/77/567320477.db2.gz NPZZPWNVUGOOLX-UHFFFAOYSA-N -2 3 383.731 3.129 20 0 GGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000548525225 567321315 /nfs/dbraw/zinc/32/13/15/567321315.db2.gz ABGNYHIRRVZUFW-UHFFFAOYSA-N -2 3 384.679 3.026 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)cc1Cl ZINC000548534640 567324254 /nfs/dbraw/zinc/32/42/54/567324254.db2.gz STLRABVGLGDVND-MGCOHNPYSA-N -2 3 396.292 3.171 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2Cl)C(=O)[O-])c1F ZINC000548538005 567324281 /nfs/dbraw/zinc/32/42/81/567324281.db2.gz DDPXGEITDGHMNG-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1ccccc1Cl ZINC000548533884 567324402 /nfs/dbraw/zinc/32/44/02/567324402.db2.gz BZXGAQCAGYFNNV-JTQLQIEISA-N -2 3 394.301 3.277 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)s1 ZINC000548544820 567325643 /nfs/dbraw/zinc/32/56/43/567325643.db2.gz XLDBFHQVTFSGMV-VIFPVBQESA-N -2 3 398.344 3.234 20 0 GGADHL C[C@H](CCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000548543766 567325966 /nfs/dbraw/zinc/32/59/66/567325966.db2.gz FHZVCJGSPQEKTP-SNVBAGLBSA-N -2 3 388.898 3.243 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c(Cl)c1Cl ZINC000548549458 567327363 /nfs/dbraw/zinc/32/73/63/567327363.db2.gz OZEXLTCMOALYBX-VIFPVBQESA-N -2 3 384.281 3.314 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)c1c(Cl)cccc1Cl ZINC000548558971 567329453 /nfs/dbraw/zinc/32/94/53/567329453.db2.gz DRJNWIDWAGAYJJ-CYBMUJFWSA-N -2 3 396.198 3.376 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1F ZINC000548570317 567330586 /nfs/dbraw/zinc/33/05/86/567330586.db2.gz VTKMDMFSURITAB-CQSZACIVSA-N -2 3 375.780 3.031 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1F ZINC000548570316 567330658 /nfs/dbraw/zinc/33/06/58/567330658.db2.gz VTKMDMFSURITAB-AWEZNQCLSA-N -2 3 375.780 3.031 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1F ZINC000548570636 567330824 /nfs/dbraw/zinc/33/08/24/567330824.db2.gz JDGMKGVSTNQMPT-GFCCVEGCSA-N -2 3 375.780 3.113 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1Br ZINC000548565787 567331172 /nfs/dbraw/zinc/33/11/72/567331172.db2.gz RELYWHDOVUOHTD-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC(C)(CC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)CCC(=O)[O-] ZINC000548592175 567334453 /nfs/dbraw/zinc/33/44/53/567334453.db2.gz IVEJRAMGEDSDGR-UHFFFAOYSA-N -2 3 382.507 3.370 20 0 GGADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000548590512 567335258 /nfs/dbraw/zinc/33/52/58/567335258.db2.gz OCCFQUYWMIEAJX-LLVKDONJSA-N -2 3 398.706 3.270 20 0 GGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCC1 ZINC000548594249 567335213 /nfs/dbraw/zinc/33/52/13/567335213.db2.gz MQVFTBXFTXSTJK-UHFFFAOYSA-N -2 3 396.690 3.026 20 0 GGADHL C[C@H](CSCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000592449543 567339052 /nfs/dbraw/zinc/33/90/52/567339052.db2.gz IYCBIQXDNQUNRR-SECBINFHSA-N -2 3 393.939 3.287 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC[C@@H](C)C2)s1 ZINC000548770420 567349262 /nfs/dbraw/zinc/34/92/62/567349262.db2.gz AUCLCIWBHVNQCR-OQPBUACISA-N -2 3 396.328 3.131 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCC(C)CC2)s1 ZINC000548837607 567355660 /nfs/dbraw/zinc/35/56/60/567355660.db2.gz GFBQUZNRTIPNTC-UHFFFAOYSA-N -2 3 396.328 3.131 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)[O-] ZINC000548992365 567366045 /nfs/dbraw/zinc/36/60/45/567366045.db2.gz UEUISJCJYHFGQG-CYBMUJFWSA-N -2 3 375.874 3.051 20 0 GGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)c1 ZINC000435720913 567386004 /nfs/dbraw/zinc/38/60/04/567386004.db2.gz FZSQXGYCDMPMNK-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)o1 ZINC000569292006 567393721 /nfs/dbraw/zinc/39/37/21/567393721.db2.gz AOEZRCXWIONMOU-UHFFFAOYSA-N -2 3 383.731 3.129 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c(F)c1 ZINC000435881106 567394140 /nfs/dbraw/zinc/39/41/40/567394140.db2.gz SEEMQDSNXVIIRQ-IINYFYTJSA-N -2 3 387.791 3.151 20 0 GGADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000569443683 567405667 /nfs/dbraw/zinc/40/56/67/567405667.db2.gz NWXQDEXMLVJLBL-QMMMGPOBSA-N -2 3 384.679 3.024 20 0 GGADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000569581246 567415268 /nfs/dbraw/zinc/41/52/68/567415268.db2.gz SHNTVZLNGARFLI-MADCSZMMSA-N -2 3 385.791 3.136 20 0 GGADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000569581241 567415406 /nfs/dbraw/zinc/41/54/06/567415406.db2.gz SHNTVZLNGARFLI-JVXZTZIISA-N -2 3 385.791 3.136 20 0 GGADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2csc3ccc(Cl)cc23)c[n-]1 ZINC000618906975 567423704 /nfs/dbraw/zinc/42/37/04/567423704.db2.gz FKLJWOSOCPZTRP-UHFFFAOYSA-N -2 3 385.854 3.255 20 0 GGADHL COc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc(OC)c1 ZINC000436475566 567427038 /nfs/dbraw/zinc/42/70/38/567427038.db2.gz CISSHXPYNWWKMX-UHFFFAOYSA-N -2 3 377.340 3.229 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC000569840994 567435936 /nfs/dbraw/zinc/43/59/36/567435936.db2.gz MDJPMTZKPAJCRV-NSHDSACASA-N -2 3 387.866 3.074 20 0 GGADHL O=C(N=c1cc2ccc(Br)cn2[n-]1)c1cc(F)c([O-])c(Cl)c1 ZINC000436641381 567440451 /nfs/dbraw/zinc/44/04/51/567440451.db2.gz VEJQSSPIAOARTE-UHFFFAOYSA-N -2 3 384.592 3.269 20 0 GGADHL COC(=O)c1ccc(C)c([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1[O-] ZINC000436671511 567442840 /nfs/dbraw/zinc/44/28/40/567442840.db2.gz KFDJAJUIGFHCPX-UHFFFAOYSA-N -2 3 383.853 3.125 20 0 GGADHL CO[C@@H](CS(=O)(=O)[N-]c1cccc([O-])c1Br)C1CCCC1 ZINC000641689300 567450983 /nfs/dbraw/zinc/45/09/83/567450983.db2.gz PCISAISUJCRJPI-ZDUSSCGKSA-N -2 3 378.288 3.102 20 0 GGADHL COc1cc(Cl)c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1C ZINC000436781828 567451286 /nfs/dbraw/zinc/45/12/86/567451286.db2.gz GDCZOVHJMGQCQW-UHFFFAOYSA-N -2 3 385.825 3.170 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)c1 ZINC000550828879 567465143 /nfs/dbraw/zinc/46/51/43/567465143.db2.gz OSFCNQGKMDKJAC-UHFFFAOYSA-N -2 3 383.344 3.083 20 0 GGADHL O=c1[n-]c(-c2ccc([O-])c(I)c2)nc2cccc(F)c12 ZINC000619584256 567466834 /nfs/dbraw/zinc/46/68/34/567466834.db2.gz HAMGPQBXEJZXSH-UHFFFAOYSA-N -2 3 382.132 3.452 20 0 GGADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nc3c(cccc3Cl)s2)ccc1[O-] ZINC000436944214 567468893 /nfs/dbraw/zinc/46/88/93/567468893.db2.gz AVKXTLDOMVPZRF-UHFFFAOYSA-N -2 3 398.849 3.243 20 0 GGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000436993326 567473744 /nfs/dbraw/zinc/47/37/44/567473744.db2.gz AZDCPHNRZGLUMZ-UHFFFAOYSA-N -3 3 379.287 3.049 20 0 GGADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2ncc(Cl)cc2Cl)o1 ZINC000642292368 567474746 /nfs/dbraw/zinc/47/47/46/567474746.db2.gz UPTFRZLEGCTCEM-UHFFFAOYSA-N -2 3 392.264 3.311 20 0 GGADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000551236789 567490282 /nfs/dbraw/zinc/49/02/82/567490282.db2.gz XEOJYSPHSCFGPT-HNNXBMFYSA-N -2 3 376.459 3.017 20 0 GGADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000663294020 567491824 /nfs/dbraw/zinc/49/18/24/567491824.db2.gz PDYFGNYWORHDQS-SSDOTTSWSA-N -2 3 394.198 3.315 20 0 GGADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000663294145 567492649 /nfs/dbraw/zinc/49/26/49/567492649.db2.gz OVVAEOULTLPIPX-SSDOTTSWSA-N -2 3 394.198 3.315 20 0 GGADHL CCCCOc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000551293107 567495599 /nfs/dbraw/zinc/49/55/99/567495599.db2.gz HKMZHAHHEZZQTD-UHFFFAOYSA-N -2 3 383.491 3.146 20 0 GGADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000643297673 567504729 /nfs/dbraw/zinc/50/47/29/567504729.db2.gz VHPRTFVWDBAWRT-IUODEOHRSA-N -2 3 397.827 3.253 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(C(F)(F)F)c2)oc1C(=O)[O-] ZINC000663420574 567506083 /nfs/dbraw/zinc/50/60/83/567506083.db2.gz SEFYIZZCKJRNNS-VIFPVBQESA-N -2 3 377.340 3.345 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@]1(c2ccccc2)CC1(C)C ZINC000663434270 567506995 /nfs/dbraw/zinc/50/69/95/567506995.db2.gz HABGEUMOFPBSKB-QGZVFWFLSA-N -2 3 381.475 3.059 20 0 GGADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)Oc1ccccc1Cl ZINC000663425817 567507128 /nfs/dbraw/zinc/50/71/28/567507128.db2.gz UQWQPSWLQPWSBK-LLVKDONJSA-N -2 3 387.841 3.076 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000479253365 567519231 /nfs/dbraw/zinc/51/92/31/567519231.db2.gz CVUHCEGVQVKZGO-UHFFFAOYSA-N -3 3 383.809 3.154 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000504666079 567542713 /nfs/dbraw/zinc/54/27/13/567542713.db2.gz OHBRKQCAHDQGDW-GFCCVEGCSA-N -2 3 381.475 3.370 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000504666084 567542840 /nfs/dbraw/zinc/54/28/40/567542840.db2.gz OHBRKQCAHDQGDW-LBPRGKRZSA-N -2 3 381.475 3.370 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000479564743 567545083 /nfs/dbraw/zinc/54/50/83/567545083.db2.gz HBNCMGWWUOFQOC-UHFFFAOYSA-N -2 3 379.825 3.041 20 0 GGADHL Cc1nc(C=Cc2c(F)ccc(Br)c2F)[n-]c(=O)c1CC(=O)[O-] ZINC000504722585 567545602 /nfs/dbraw/zinc/54/56/02/567545602.db2.gz WDQWPPSNAHXCFY-DJWKRKHSSA-N -2 3 385.164 3.329 20 0 GGADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(Br)c1 ZINC000504713961 567545657 /nfs/dbraw/zinc/54/56/57/567545657.db2.gz ZIHQTPSRDBUYMN-XQRVVYSFSA-N -2 3 379.210 3.059 20 0 GGADHL COc1cc(Br)ccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504740215 567545723 /nfs/dbraw/zinc/54/57/23/567545723.db2.gz FNCBMFVIVDQASY-XQRVVYSFSA-N -2 3 379.210 3.059 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc1 ZINC000504703729 567545934 /nfs/dbraw/zinc/54/59/34/567545934.db2.gz PISDCAQOGRCBSN-GFCCVEGCSA-N -2 3 381.475 3.451 20 0 GGADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000644571808 567560874 /nfs/dbraw/zinc/56/08/74/567560874.db2.gz GIUIVGPDYUFDHG-PELKAZGASA-N -2 3 398.706 3.126 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](c1ccccc1C)C1CC1 ZINC000571555913 567572112 /nfs/dbraw/zinc/57/21/12/567572112.db2.gz FNVUJISMYOURNC-HNNXBMFYSA-N -2 3 381.475 3.193 20 0 GGADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000530420300 567599745 /nfs/dbraw/zinc/59/97/45/567599745.db2.gz XBFIXDRAGALHSC-NSHDSACASA-N -2 3 396.690 3.024 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2F)sc1Cl ZINC000530435215 567601096 /nfs/dbraw/zinc/60/10/96/567601096.db2.gz FMDSNNIQRSYOFN-LLVKDONJSA-N -2 3 377.846 3.343 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])sc1Cl ZINC000530435712 567602095 /nfs/dbraw/zinc/60/20/95/567602095.db2.gz KAJSXDYGXNAOJE-NSHDSACASA-N -2 3 394.301 3.338 20 0 GGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000645075983 567603921 /nfs/dbraw/zinc/60/39/21/567603921.db2.gz XNFMBQVMWZPPMH-MWLCHTKSSA-N -2 3 385.791 3.438 20 0 GGADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000530473566 567604672 /nfs/dbraw/zinc/60/46/72/567604672.db2.gz WSDWXYJIBCIRSH-JTQLQIEISA-N -2 3 396.690 3.024 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccsc1 ZINC000530488302 567605159 /nfs/dbraw/zinc/60/51/59/567605159.db2.gz FQIVMQMVHXDQNZ-NSHDSACASA-N -2 3 384.237 3.298 20 0 GGADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000572045658 567607936 /nfs/dbraw/zinc/60/79/36/567607936.db2.gz XLDZVJOFYGQSOZ-QMMMGPOBSA-N -2 3 384.679 3.024 20 0 GGADHL CCOC(=O)c1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c([O-])c1 ZINC000506660494 567637242 /nfs/dbraw/zinc/63/72/42/567637242.db2.gz JTCAHOFGDNJFPB-UHFFFAOYSA-N -2 3 383.853 3.207 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1Cl ZINC000531194263 567644993 /nfs/dbraw/zinc/64/49/93/567644993.db2.gz WKHIHXCXKOVPSI-UHFFFAOYSA-N -2 3 381.837 3.497 20 0 GGADHL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1 ZINC000481432339 567678369 /nfs/dbraw/zinc/67/83/69/567678369.db2.gz DYMGUOUYTZXPSL-UHFFFAOYSA-N -2 3 385.800 3.327 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1C(F)(F)F ZINC000481461001 567679910 /nfs/dbraw/zinc/67/99/10/567679910.db2.gz FLAIZYJKUXQNLD-UHFFFAOYSA-N -3 3 375.324 3.218 20 0 GGADHL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000481463466 567679922 /nfs/dbraw/zinc/67/99/22/567679922.db2.gz HHCHEUJSUPITQE-UHFFFAOYSA-N -2 3 384.841 3.122 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCc1ccc(C(C)C)cc1 ZINC000645944692 567684159 /nfs/dbraw/zinc/68/41/59/567684159.db2.gz VQLBXPIRCDZWOM-UHFFFAOYSA-N -2 3 383.491 3.099 20 0 GGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000573066570 567684474 /nfs/dbraw/zinc/68/44/74/567684474.db2.gz JLQFRZHYLPIRML-LLVKDONJSA-N -2 3 382.404 3.050 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCC1 ZINC000645963962 567685432 /nfs/dbraw/zinc/68/54/32/567685432.db2.gz PVPVZHYINIARKB-HNNXBMFYSA-N -2 3 381.475 3.275 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1CC(=O)[O-] ZINC000442231276 567686391 /nfs/dbraw/zinc/68/63/91/567686391.db2.gz ULYYFZZBJSLCFR-UHFFFAOYSA-N -2 3 391.779 3.055 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]CCCCc2ccc(Cl)s2)cc1C(=O)[O-] ZINC000646001025 567690215 /nfs/dbraw/zinc/69/02/15/567690215.db2.gz QPYMADFBHPAVNY-UHFFFAOYSA-N -2 3 377.871 3.302 20 0 GGADHL CCSCc1cccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1 ZINC000481596550 567691122 /nfs/dbraw/zinc/69/11/22/567691122.db2.gz KNLYEXAYXWOUGZ-UHFFFAOYSA-N -2 3 380.491 3.405 20 0 GGADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000507890198 567713605 /nfs/dbraw/zinc/71/36/05/567713605.db2.gz QFXZTHVXPKYENU-UHFFFAOYSA-N -2 3 396.515 3.382 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCCC1 ZINC000554538250 567734164 /nfs/dbraw/zinc/73/41/64/567734164.db2.gz SZKDMZLUZHSWCT-UHFFFAOYSA-N -2 3 387.885 3.195 20 0 GGADHL O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000462105050 567772146 /nfs/dbraw/zinc/77/21/46/567772146.db2.gz SIXLHIGMHFITRL-UHFFFAOYSA-N -2 3 379.331 3.371 20 0 GGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCCCC1 ZINC000575053086 567810199 /nfs/dbraw/zinc/81/01/99/567810199.db2.gz MYBRQTBZZMCILF-UHFFFAOYSA-N -2 3 385.429 3.470 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)c1nc(C(F)(F)F)cs1 ZINC000575043283 567810705 /nfs/dbraw/zinc/81/07/05/567810705.db2.gz SJAXLXIYVFLTBW-ZETCQYMHSA-N -2 3 398.384 3.191 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ncccc3[O-])ccc2C)c1 ZINC000012535999 570835637 /nfs/dbraw/zinc/83/56/37/570835637.db2.gz LJNHEOOTVFZCDO-UHFFFAOYSA-N -2 3 397.456 3.457 20 0 GGADHL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735651661 598841035 /nfs/dbraw/zinc/84/10/35/598841035.db2.gz UPRKPSBLSAMXKQ-UHFFFAOYSA-N -2 3 375.429 3.104 20 0 GGADHL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735651661 598841037 /nfs/dbraw/zinc/84/10/37/598841037.db2.gz UPRKPSBLSAMXKQ-UHFFFAOYSA-N -2 3 375.429 3.104 20 0 GGADHL O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738344188 598842061 /nfs/dbraw/zinc/84/20/61/598842061.db2.gz BKJLIXSZWYEPNA-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738344188 598842062 /nfs/dbraw/zinc/84/20/62/598842062.db2.gz BKJLIXSZWYEPNA-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000828804800 601257387 /nfs/dbraw/zinc/25/73/87/601257387.db2.gz TZKAWPZSWCSYQC-UHFFFAOYSA-N -2 3 384.317 3.131 20 0 GGADHL Cc1c([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cccc1-c1nn[n-]n1 ZINC000822123190 607255856 /nfs/dbraw/zinc/25/58/56/607255856.db2.gz VJRNDRGHWYEVIA-UHFFFAOYSA-N -2 3 390.277 3.344 20 0 GGADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000736635007 599235721 /nfs/dbraw/zinc/23/57/21/599235721.db2.gz PUGXHNYHYWTFJB-UHFFFAOYSA-N -2 3 387.465 3.190 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)NCc3ccc(C(=O)[O-])cc3)cc2)cc(=O)[n-]1 ZINC000818981287 597172490 /nfs/dbraw/zinc/17/24/90/597172490.db2.gz DIWUYYOZARFJHC-UHFFFAOYSA-N -2 3 378.388 3.178 20 0 GGADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000542233464 597738895 /nfs/dbraw/zinc/73/88/95/597738895.db2.gz NILZCOABSQOULM-UHFFFAOYSA-N -2 3 390.392 3.050 20 0 GGADHL C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736119379 598408079 /nfs/dbraw/zinc/40/80/79/598408079.db2.gz OQGPBILMFZYLIB-MRVPVSSYSA-N -2 3 378.219 3.370 20 0 GGADHL C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736119379 598408081 /nfs/dbraw/zinc/40/80/81/598408081.db2.gz OQGPBILMFZYLIB-MRVPVSSYSA-N -2 3 378.219 3.370 20 0 GGADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1cc(Cl)ccc1Cl ZINC000738341038 598596089 /nfs/dbraw/zinc/59/60/89/598596089.db2.gz CQPVULBZIUOWOW-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Cl)ccc1Cl ZINC000738341038 598596090 /nfs/dbraw/zinc/59/60/90/598596090.db2.gz CQPVULBZIUOWOW-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c(C)c1 ZINC000737360969 599561038 /nfs/dbraw/zinc/56/10/38/599561038.db2.gz FIHWDBNVQLFZRP-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)c1 ZINC000730767278 599739394 /nfs/dbraw/zinc/73/93/94/599739394.db2.gz LGLIWXGJBZZDRC-UHFFFAOYSA-N -2 3 380.853 3.439 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(c1ccccc1)c1ccccc1 ZINC000736669674 599769759 /nfs/dbraw/zinc/76/97/59/599769759.db2.gz CKWHKTIXFKLWFX-CQSZACIVSA-N -2 3 385.441 3.477 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OCc3ccccc3)cc2)o1 ZINC000313643997 599770518 /nfs/dbraw/zinc/77/05/18/599770518.db2.gz IJPJBOAHIAPSTO-UHFFFAOYSA-N -2 3 387.413 3.035 20 0 GGADHL C[C@@H](COc1ccc(C(C)(C)C)cc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736612839 599773091 /nfs/dbraw/zinc/77/30/91/599773091.db2.gz CPAUKGMPOMCDGU-LBPRGKRZSA-N -2 3 381.450 3.021 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1nc(-c2ccccc2)cs1 ZINC000736670072 599779066 /nfs/dbraw/zinc/77/90/66/599779066.db2.gz HMUPIHHIGUPSTN-SNVBAGLBSA-N -2 3 378.431 3.141 20 0 GGADHL Cc1sc2[n-]c(Cn3cnc(C(=O)[O-])n3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000738487550 599824868 /nfs/dbraw/zinc/82/48/68/599824868.db2.gz ZSUFWISXLSVBPR-UHFFFAOYSA-N -2 3 381.417 3.019 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)c1C(=O)[O-] ZINC000738744775 599851446 /nfs/dbraw/zinc/85/14/46/599851446.db2.gz NQSSTWZYGYSODY-UHFFFAOYSA-N -2 3 398.440 3.468 20 0 GGADHL CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000738202257 599852293 /nfs/dbraw/zinc/85/22/93/599852293.db2.gz ARHNBJHEVRXQQR-INIZCTEOSA-N -2 3 382.441 3.196 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000477425909 599906456 /nfs/dbraw/zinc/90/64/56/599906456.db2.gz FUTYGRQQEJPAJA-INIZCTEOSA-N -2 3 391.445 3.052 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(F)c1 ZINC000738277315 599907850 /nfs/dbraw/zinc/90/78/50/599907850.db2.gz UAJYQFNVHSOZHK-UHFFFAOYSA-N -2 3 378.425 3.233 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)ccc1C(=O)[O-] ZINC000476746317 599925212 /nfs/dbraw/zinc/92/52/12/599925212.db2.gz ZLAIYORGXYHCGU-UHFFFAOYSA-N -3 3 377.418 3.316 20 0 GGADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(CSCC(=O)[O-])c3)ccc2O1 ZINC000736826910 599938860 /nfs/dbraw/zinc/93/88/60/599938860.db2.gz ZKFFZOWHXWMFJO-GFCCVEGCSA-N -2 3 393.486 3.129 20 0 GGADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000578390184 599981290 /nfs/dbraw/zinc/98/12/90/599981290.db2.gz MSCJCVCPTSSZLS-UHFFFAOYSA-N -2 3 391.342 3.064 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(Cl)c1 ZINC000466283339 600099252 /nfs/dbraw/zinc/09/92/52/600099252.db2.gz OYFZGKUDPQGRII-UHFFFAOYSA-N -2 3 391.836 3.333 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N(C)C(C)C)c(F)c1 ZINC000738347625 600105670 /nfs/dbraw/zinc/10/56/70/600105670.db2.gz QKMYWSGRBJUZRO-UHFFFAOYSA-N -2 3 380.441 3.478 20 0 GGADHL CCC[C@@](C)([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000736960484 600169290 /nfs/dbraw/zinc/16/92/90/600169290.db2.gz VXYLEGDNRONPBE-OAHLLOKOSA-N -2 3 388.898 3.385 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1C(=O)[O-] ZINC000738745437 600179244 /nfs/dbraw/zinc/17/92/44/600179244.db2.gz QDXIGLRQIBKXJA-UHFFFAOYSA-N -2 3 378.425 3.233 20 0 GGADHL COc1ccc(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])c([O-])c1 ZINC000737926079 600180719 /nfs/dbraw/zinc/18/07/19/600180719.db2.gz JRLCFSFOYPOSIM-QGZVFWFLSA-N -2 3 379.412 3.227 20 0 GGADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738995525 600203640 /nfs/dbraw/zinc/20/36/40/600203640.db2.gz DIWDAVYWGHVTKY-UHFFFAOYSA-N -2 3 386.795 3.155 20 0 GGADHL O=C([O-])CCc1nnc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])s1 ZINC000739777815 600268918 /nfs/dbraw/zinc/26/89/18/600268918.db2.gz PHDHXBITMIXTKZ-UHFFFAOYSA-N -2 3 383.429 3.104 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)c(C)c1 ZINC000737867317 600300900 /nfs/dbraw/zinc/30/09/00/600300900.db2.gz INVLVESJNGEFNZ-UHFFFAOYSA-N -2 3 378.450 3.223 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1OC1CCOCC1 ZINC000265662052 600396251 /nfs/dbraw/zinc/39/62/51/600396251.db2.gz YCFMXIKGCHHXCJ-UHFFFAOYSA-N -2 3 391.445 3.052 20 0 GGADHL O=C(CCC1CCCCC1)[N-]OCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000739234585 600436087 /nfs/dbraw/zinc/43/60/87/600436087.db2.gz HNNFBDAASXYZOC-UHFFFAOYSA-N -2 3 394.493 3.282 20 0 GGADHL Cc1nc(C)c(CCC(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])c(=O)[n-]1 ZINC000738347911 600451083 /nfs/dbraw/zinc/45/10/83/600451083.db2.gz DYSAVAUUMBXKNV-UHFFFAOYSA-N -2 3 377.466 3.428 20 0 GGADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC000518967884 600483116 /nfs/dbraw/zinc/48/31/16/600483116.db2.gz ABPWLRXVZJBRDD-UHFFFAOYSA-N -2 3 399.852 3.173 20 0 GGADHL Cc1ccc([O-])c(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)c1 ZINC000738635976 600487155 /nfs/dbraw/zinc/48/71/55/600487155.db2.gz KEIGVHBPOAKDAI-QGZVFWFLSA-N -2 3 382.416 3.032 20 0 GGADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000373879726 600487163 /nfs/dbraw/zinc/48/71/63/600487163.db2.gz DLTAFPHGGFOHFX-UHFFFAOYSA-N -2 3 398.806 3.085 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1C ZINC000737210532 600488470 /nfs/dbraw/zinc/48/84/70/600488470.db2.gz LQCFOMOGNGKSFE-UHFFFAOYSA-N -2 3 393.461 3.438 20 0 GGADHL CSc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000738213582 600489340 /nfs/dbraw/zinc/48/93/40/600489340.db2.gz ZYCSYQRMUMGPIY-UHFFFAOYSA-N -2 3 381.475 3.453 20 0 GGADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000740143137 600513200 /nfs/dbraw/zinc/51/32/00/600513200.db2.gz DHQMHHAWASQPJQ-UHFFFAOYSA-N -2 3 382.388 3.064 20 0 GGADHL O=C([O-])Cc1nc([N-]C(=O)c2ccc(COc3ccc4ccccc4c3)o2)n[nH]1 ZINC000739908506 600534014 /nfs/dbraw/zinc/53/40/14/600534014.db2.gz CWSVGXPBMDLRCO-UHFFFAOYSA-N -2 3 392.371 3.009 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)cc1C(=O)[O-] ZINC000299145368 600543892 /nfs/dbraw/zinc/54/38/92/600543892.db2.gz KDSQKQRIRKRFEX-UHFFFAOYSA-N -2 3 379.434 3.119 20 0 GGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000481970511 600625847 /nfs/dbraw/zinc/62/58/47/600625847.db2.gz IOQIPGYJOVZHIO-UHFFFAOYSA-N -2 3 389.351 3.056 20 0 GGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1 ZINC000481969553 600626851 /nfs/dbraw/zinc/62/68/51/600626851.db2.gz NPFHFCYJGCHFPO-UHFFFAOYSA-N -2 3 375.446 3.436 20 0 GGADHL Cc1nc(Cc2ccccc2)sc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738859908 600627342 /nfs/dbraw/zinc/62/73/42/600627342.db2.gz YIAILZVJIXQLER-UHFFFAOYSA-N -2 3 388.474 3.163 20 0 GGADHL CC(C)CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736429179 600631247 /nfs/dbraw/zinc/63/12/47/600631247.db2.gz SNSYHNNHBBKJTJ-VIFPVBQESA-N -2 3 396.278 3.389 20 0 GGADHL CC(C)OCc1c2ccccc2oc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000736484637 600632836 /nfs/dbraw/zinc/63/28/36/600632836.db2.gz HHQUNEULXDKZFS-UHFFFAOYSA-N -2 3 389.433 3.479 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C1CCCC1 ZINC000736664197 600634812 /nfs/dbraw/zinc/63/48/12/600634812.db2.gz LBPIZNBYZLAUNG-MRVPVSSYSA-N -2 3 394.262 3.143 20 0 GGADHL COc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)c(C(=O)[O-])c1 ZINC000738040589 600635470 /nfs/dbraw/zinc/63/54/70/600635470.db2.gz AWDLKCJCGIGARK-VIFPVBQESA-N -2 3 397.836 3.171 20 0 GGADHL Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)cc2F)c1 ZINC000466294290 600635976 /nfs/dbraw/zinc/63/59/76/600635976.db2.gz XKJZSXFRJAVIPJ-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL Cc1cnn(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)cc2F)c1 ZINC000605496486 600636140 /nfs/dbraw/zinc/63/61/40/600636140.db2.gz UBOPZYHQGGRYAS-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2ccc(Cl)c3Cl)o1 ZINC000740175733 600651826 /nfs/dbraw/zinc/65/18/26/600651826.db2.gz XMTFDHAWWCQMLZ-SNVBAGLBSA-N -2 3 376.217 3.250 20 0 GGADHL CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000828738321 600782308 /nfs/dbraw/zinc/78/23/08/600782308.db2.gz NREUWXSGDKKVTE-DTWKUNHWSA-N -2 3 396.278 3.389 20 0 GGADHL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc2)n1 ZINC000026538873 600808431 /nfs/dbraw/zinc/80/84/31/600808431.db2.gz FKQCPWMAVKKJNR-UHFFFAOYSA-N -2 3 385.445 3.297 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000010516368 600808549 /nfs/dbraw/zinc/80/85/49/600808549.db2.gz DYANIQGZDVVQDN-UHFFFAOYSA-N -2 3 389.351 3.435 20 0 GGADHL Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc2F)c1 ZINC000605495808 600816343 /nfs/dbraw/zinc/81/63/43/600816343.db2.gz JBBGGDMCMGCGPH-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000467070582 600817615 /nfs/dbraw/zinc/81/76/15/600817615.db2.gz FQBYWGJYOMAWKJ-UHFFFAOYSA-N -2 3 393.461 3.376 20 0 GGADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1cccc(C(F)(F)F)c1 ZINC000827417420 600866120 /nfs/dbraw/zinc/86/61/20/600866120.db2.gz HSNOMAAZAUQRJA-JTQLQIEISA-N -2 3 391.367 3.469 20 0 GGADHL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000327406020 600867929 /nfs/dbraw/zinc/86/79/29/600867929.db2.gz GBLQKPLXIDFUQI-UHFFFAOYSA-N -2 3 375.324 3.218 20 0 GGADHL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)cc2)n1 ZINC000738372433 600888304 /nfs/dbraw/zinc/88/83/04/600888304.db2.gz RFZBFZXSHRPDJO-UHFFFAOYSA-N -2 3 385.445 3.297 20 0 GGADHL Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506726558 600891833 /nfs/dbraw/zinc/89/18/33/600891833.db2.gz NOEXJKQSDYDUGX-UHFFFAOYSA-N -2 3 399.428 3.385 20 0 GGADHL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)cc2)nn1 ZINC000671660181 600897618 /nfs/dbraw/zinc/89/76/18/600897618.db2.gz YCIFWISFLWJIEC-UHFFFAOYSA-N -2 3 399.428 3.385 20 0 GGADHL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)cc2)nn1 ZINC000607616530 600897727 /nfs/dbraw/zinc/89/77/27/600897727.db2.gz UNTRLXNKLMAFMJ-UHFFFAOYSA-N -2 3 399.428 3.385 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000524815106 600899549 /nfs/dbraw/zinc/89/95/49/600899549.db2.gz WCPXFZZLHQJJKL-UHFFFAOYSA-N -3 3 391.445 3.165 20 0 GGADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(C)(C)C(=O)[O-])cc3)ccc2O1 ZINC000484988085 600900060 /nfs/dbraw/zinc/90/00/60/600900060.db2.gz PLBFEVZLQSVARR-LBPRGKRZSA-N -2 3 375.446 3.173 20 0 GGADHL Cc1cc(C(=O)[O-])c2sc([N-]C(=O)c3cc(-c4ccccn4)no3)nc2n1 ZINC000832868073 600944631 /nfs/dbraw/zinc/94/46/31/600944631.db2.gz WCANWRTWKCSMDO-UHFFFAOYSA-N -2 3 381.373 3.000 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCC2)c1F ZINC000833294381 600992709 /nfs/dbraw/zinc/99/27/09/600992709.db2.gz RNKFATIMWNGQRR-UHFFFAOYSA-N -2 3 381.400 3.063 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)NC[C@H](C(=O)[O-])c3ccccc3)cc2)cc(=O)[n-]1 ZINC000832990769 601020040 /nfs/dbraw/zinc/02/00/40/601020040.db2.gz BGCCURDCBARYMI-KRWDZBQOSA-N -2 3 392.415 3.148 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1c2nsnc2ccc1Cl ZINC000392222041 601117738 /nfs/dbraw/zinc/11/77/38/601117738.db2.gz UXVNISKKVIFBKD-UHFFFAOYSA-N -2 3 383.838 3.152 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2cccc(Br)c2)cc1C(=O)[O-] ZINC000833027109 601216543 /nfs/dbraw/zinc/21/65/43/601216543.db2.gz BUZFLQOXQSHFCR-QMMMGPOBSA-N -2 3 388.239 3.088 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1C(=O)[O-] ZINC000833028192 601219968 /nfs/dbraw/zinc/21/99/68/601219968.db2.gz LIQSLZMHRJPOJG-DGCLKSJQSA-N -2 3 389.351 3.139 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(OC3CCCC3)cc2)cc1C(=O)[O-] ZINC000833026741 601220101 /nfs/dbraw/zinc/22/01/01/601220101.db2.gz JDYRDCHJRRMEST-UHFFFAOYSA-N -2 3 379.434 3.086 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]C2(c3cccc(C(F)(F)F)c3)CC2)cc1C(=O)[O-] ZINC000833028739 601220342 /nfs/dbraw/zinc/22/03/42/601220342.db2.gz PSKSJJZVJIPZRL-UHFFFAOYSA-N -2 3 389.351 3.273 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)c1F ZINC000326937406 601229045 /nfs/dbraw/zinc/22/90/45/601229045.db2.gz WQTDXINKHQDGDU-NSHDSACASA-N -2 3 385.413 3.178 20 0 GGADHL CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1ccco1 ZINC000826900862 601232170 /nfs/dbraw/zinc/23/21/70/601232170.db2.gz WPWFDLJYIYYLIZ-PYUISTEWSA-N -2 3 393.461 3.070 20 0 GGADHL Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832964417 601232955 /nfs/dbraw/zinc/23/29/55/601232955.db2.gz DCFLYVLGTNIFNV-LBPRGKRZSA-N -2 3 399.415 3.026 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc3ccccc3c2)c1F ZINC000833293612 601232991 /nfs/dbraw/zinc/23/29/91/601232991.db2.gz ABRKWDBPZYMUEL-UHFFFAOYSA-N -2 3 377.368 3.295 20 0 GGADHL Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832977370 601233888 /nfs/dbraw/zinc/23/38/88/601233888.db2.gz ROLDMQRVAIZTAP-UHFFFAOYSA-N -2 3 383.416 3.228 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCCCc3ccccc32)c1F ZINC000833295194 601234434 /nfs/dbraw/zinc/23/44/34/601234434.db2.gz OKNKLOZTFLQIPO-AWEZNQCLSA-N -2 3 381.400 3.409 20 0 GGADHL Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC000391310540 601234564 /nfs/dbraw/zinc/23/45/64/601234564.db2.gz ZZVITSRRVTVSCW-SSDOTTSWSA-N -2 3 395.289 3.496 20 0 GGADHL CC(C)(CCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000826551329 601234655 /nfs/dbraw/zinc/23/46/55/601234655.db2.gz QXMFMPIYATXHSV-UHFFFAOYSA-N -2 3 383.416 3.353 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccc(F)cc1 ZINC000826611790 601234890 /nfs/dbraw/zinc/23/48/90/601234890.db2.gz PFVZMYUFIZEPDF-UHFFFAOYSA-N -2 3 387.379 3.058 20 0 GGADHL CC[C@@](C)([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1nc(C)cs1 ZINC000828693407 601238165 /nfs/dbraw/zinc/23/81/65/601238165.db2.gz WGWZVYULWGKEHO-OAHLLOKOSA-N -2 3 390.433 3.032 20 0 GGADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Sc1ccccc1 ZINC000827507996 601239245 /nfs/dbraw/zinc/23/92/45/601239245.db2.gz RXRWCTZYNOQIPS-JTQLQIEISA-N -2 3 387.429 3.122 20 0 GGADHL C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccc(F)cc1F ZINC000827507237 601239430 /nfs/dbraw/zinc/23/94/30/601239430.db2.gz GNZIZJZEWRHGRS-MRVPVSSYSA-N -2 3 391.342 3.023 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccccc2)c1F ZINC000833295207 601240092 /nfs/dbraw/zinc/24/00/92/601240092.db2.gz OZDAJXQHHKGVFL-AWEZNQCLSA-N -2 3 381.400 3.483 20 0 GGADHL CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000830157973 601240691 /nfs/dbraw/zinc/24/06/91/601240691.db2.gz PUMLJUCQAUQVQF-VHSXEESVSA-N -2 3 379.450 3.006 20 0 GGADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000833334329 601250763 /nfs/dbraw/zinc/25/07/63/601250763.db2.gz BTFWVKLMDYSNSQ-UHFFFAOYSA-N -2 3 383.385 3.322 20 0 GGADHL CCCCc1nc2ccc([N-]S(=O)(=O)c3ccsc3C(=O)[O-])cc2[nH]1 ZINC000829440616 601251263 /nfs/dbraw/zinc/25/12/63/601251263.db2.gz NFSLDIVBHITVTR-UHFFFAOYSA-N -2 3 379.463 3.466 20 0 GGADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000261760999 601257449 /nfs/dbraw/zinc/25/74/49/601257449.db2.gz XUNKANJWVJXVOL-UHFFFAOYSA-N -2 3 384.679 3.024 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)s1 ZINC000832857913 601266239 /nfs/dbraw/zinc/26/62/39/601266239.db2.gz DCXFYEHRURTYAN-UHFFFAOYSA-N -2 3 396.328 3.275 20 0 GGADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000832794892 601282628 /nfs/dbraw/zinc/28/26/28/601282628.db2.gz LMKDNIYAKAHZCO-UHFFFAOYSA-N -2 3 393.490 3.173 20 0 GGADHL Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1Cl ZINC000013028093 601318187 /nfs/dbraw/zinc/31/81/87/601318187.db2.gz ZJBUFZKKPWBVEJ-ZZXKWVIFSA-N -2 3 387.244 3.474 20 0 GGADHL Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832891629 601319170 /nfs/dbraw/zinc/31/91/70/601319170.db2.gz UHMPSDSNWQSZHE-WDZFZDKYSA-N -2 3 386.473 3.494 20 0 GGADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000052025608 601328290 /nfs/dbraw/zinc/32/82/90/601328290.db2.gz SMOKNLYSGYGJMX-UHFFFAOYSA-N -2 3 383.397 3.121 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000608343493 601333361 /nfs/dbraw/zinc/33/33/61/601333361.db2.gz XJYVWTNUAAWTDU-UHFFFAOYSA-N -2 3 390.461 3.479 20 0 GGADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1Cl ZINC000326954114 601359984 /nfs/dbraw/zinc/35/99/84/601359984.db2.gz IFFFCJKMVMVLOO-BJMVGYQFSA-N -2 3 380.853 3.305 20 0 GGADHL O=C([O-])c1ccc(C(=O)Nc2cc(I)ccc2[O-])s1 ZINC000833312176 601383644 /nfs/dbraw/zinc/38/36/44/601383644.db2.gz PLISQEHYBDXBJO-UHFFFAOYSA-N -2 3 389.170 3.009 20 0 GGADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Oc1cccc(C)c1 ZINC000828883271 601399783 /nfs/dbraw/zinc/39/97/83/601399783.db2.gz BRPBFHBKVPBIMT-GFCCVEGCSA-N -2 3 399.415 3.107 20 0 GGADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Oc1ccccc1C ZINC000828883573 601399883 /nfs/dbraw/zinc/39/98/83/601399883.db2.gz HQHLMYVOLRQVLS-GFCCVEGCSA-N -2 3 399.415 3.107 20 0 GGADHL CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000830158638 601443905 /nfs/dbraw/zinc/44/39/05/601443905.db2.gz YRGXAMXDHLALAO-GHMZBOCLSA-N -2 3 379.450 3.006 20 0 GGADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000748642672 601474831 /nfs/dbraw/zinc/47/48/31/601474831.db2.gz KGXAXTNCOAABTC-UHFFFAOYSA-N -2 3 375.446 3.220 20 0 GGADHL O=C([O-])[C@H]1c2ccccc2CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000833196108 601544958 /nfs/dbraw/zinc/54/49/58/601544958.db2.gz YZENTHBUNKJKPF-GOSISDBHSA-N -2 3 375.384 3.266 20 0 GGADHL Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])cc(C)c1OCC(=O)[O-] ZINC000832865341 601586930 /nfs/dbraw/zinc/58/69/30/601586930.db2.gz YUNQDADBZOYJHD-UHFFFAOYSA-N -2 3 394.221 3.487 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccc(F)c2)cc1C(=O)[O-] ZINC000833028263 601596939 /nfs/dbraw/zinc/59/69/39/601596939.db2.gz NFCNHUSOUSZJFB-SFHVURJKSA-N -2 3 389.404 3.493 20 0 GGADHL CCOC(=O)C(=Cc1c[nH]c(C(=O)[O-])c1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000829818108 601791928 /nfs/dbraw/zinc/79/19/28/601791928.db2.gz QBQLNGNSSHYQLB-WZUFQYTHSA-N -2 3 387.417 3.144 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c(Cl)cc1F ZINC000060211017 601829578 /nfs/dbraw/zinc/82/95/78/601829578.db2.gz IZUFXPWJOOTUTA-UHFFFAOYSA-N -2 3 383.706 3.395 20 0 GGADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(OCCC(=O)[O-])cc3)ccc2O1 ZINC000504703274 601830473 /nfs/dbraw/zinc/83/04/73/601830473.db2.gz NQICDYMDHJDVIL-UHFFFAOYSA-N -2 3 391.445 3.054 20 0 GGADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(F)c(NC(=O)[O-])c3)ccc2O1 ZINC000828082824 601830725 /nfs/dbraw/zinc/83/07/25/601830725.db2.gz UPKMQNXAVLJLSN-UHFFFAOYSA-N -2 3 380.397 3.430 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)ccc1Cl ZINC000833304207 601835336 /nfs/dbraw/zinc/83/53/36/601835336.db2.gz VIVHITLICRAQJH-UHFFFAOYSA-N -2 3 377.809 3.025 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2)c(F)cc1F ZINC000832902686 601836264 /nfs/dbraw/zinc/83/62/64/601836264.db2.gz DZTYOOVFJFLBIK-AWEZNQCLSA-N -2 3 375.780 3.031 20 0 GGADHL Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832891167 601848016 /nfs/dbraw/zinc/84/80/16/601848016.db2.gz MLEWPARRKFMGLS-UHFFFAOYSA-N -2 3 378.425 3.233 20 0 GGADHL O=C([O-])C[C@@H]1CSCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000833222845 601888302 /nfs/dbraw/zinc/88/83/02/601888302.db2.gz BXAIEGLYRJLBCY-SNVBAGLBSA-N -2 3 391.474 3.049 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3c(Cl)cccc3Cl)CC2)o1 ZINC000833325389 601956953 /nfs/dbraw/zinc/95/69/53/601956953.db2.gz WHODTQFBVZTPPS-UHFFFAOYSA-N -2 3 376.217 3.252 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1-c1nn[n-]n1 ZINC000826304062 607536301 /nfs/dbraw/zinc/53/63/01/607536301.db2.gz UPPAVFWLBMKTKH-UHFFFAOYSA-N -2 3 397.382 3.081 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)Nc3cccc(CC(=O)[O-])c3)cc2)cc(=O)[n-]1 ZINC000738335888 601983148 /nfs/dbraw/zinc/98/31/48/601983148.db2.gz ZJZZNIIYTBJLLQ-UHFFFAOYSA-N -2 3 378.388 3.429 20 0 GGADHL O=C([O-])COc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c2ccccc12 ZINC000833258312 602095322 /nfs/dbraw/zinc/09/53/22/602095322.db2.gz IAZRFEKNVFCZCN-BOPFTXTBSA-N -2 3 388.379 3.026 20 0 GGADHL CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313273 602140093 /nfs/dbraw/zinc/14/00/93/602140093.db2.gz OXUBEFGDQHAEKZ-VIFPVBQESA-N -2 3 382.276 3.233 20 0 GGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccccc1 ZINC000551237216 602141258 /nfs/dbraw/zinc/14/12/58/602141258.db2.gz CRXQECQBCMCJHE-HNNXBMFYSA-N -2 3 377.393 3.375 20 0 GGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1ccc(C(=O)[O-])cc1 ZINC000548196902 602142761 /nfs/dbraw/zinc/14/27/61/602142761.db2.gz XTSWPMSQBGNCJR-UHFFFAOYSA-N -2 3 377.393 3.100 20 0 GGADHL Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)cc1 ZINC000315622472 602146714 /nfs/dbraw/zinc/14/67/14/602146714.db2.gz TUZWTDYHPVZLFD-VIFPVBQESA-N -2 3 388.239 3.088 20 0 GGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC000681567022 602152374 /nfs/dbraw/zinc/15/23/74/602152374.db2.gz JOMDZRKNWGSJCM-OAHLLOKOSA-N -2 3 399.346 3.263 20 0 GGADHL Cc1cc(N2CCCC[C@H]2C)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000832891309 602175978 /nfs/dbraw/zinc/17/59/78/602175978.db2.gz PZKFSBLIAANNRX-CYBMUJFWSA-N -2 3 377.466 3.201 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H]2CC3(CCCC3)Oc3ccccc32)cc1C(=O)[O-] ZINC000833028722 602222361 /nfs/dbraw/zinc/22/23/61/602222361.db2.gz PBILIHFOHCLRTG-HNNXBMFYSA-N -2 3 391.445 3.401 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC3(CCCC3)Oc3ccccc32)o1 ZINC000833324349 602222371 /nfs/dbraw/zinc/22/23/71/602222371.db2.gz FQLFTYQKSKFAIU-ZDUSSCGKSA-N -2 3 377.418 3.093 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H]2CC(C)(C)Oc3cc(F)ccc32)cc1C(=O)[O-] ZINC000570839872 602225586 /nfs/dbraw/zinc/22/55/86/602225586.db2.gz RSLJQIOSBOROQC-ZDUSSCGKSA-N -2 3 383.397 3.006 20 0 GGADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)cc2)n[nH]1 ZINC000507968691 602301122 /nfs/dbraw/zinc/30/11/22/602301122.db2.gz XIHGJUGRWCCHQO-UHFFFAOYSA-N -2 3 387.417 3.318 20 0 GGADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2)n[nH]1 ZINC000759111171 602301208 /nfs/dbraw/zinc/30/12/08/602301208.db2.gz OYKRQOFGFYJZGR-UHFFFAOYSA-N -2 3 391.380 3.149 20 0 GGADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C=CC(=O)[O-])cc3)cc2)n[nH]1 ZINC000832900489 602301547 /nfs/dbraw/zinc/30/15/47/602301547.db2.gz BMVJQFFGNYGZON-WCIBSUBMSA-N -2 3 399.428 3.409 20 0 GGADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(NC(=O)[O-])cc3)cc2F)c1 ZINC000830645430 603838646 /nfs/dbraw/zinc/83/86/46/603838646.db2.gz HDXPPXWAPFKXHC-UHFFFAOYSA-N -2 3 390.396 3.211 20 0 GGADHL O=C([O-])NCc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000833281927 604339127 /nfs/dbraw/zinc/33/91/27/604339127.db2.gz POGXNHYEHYCDER-UHFFFAOYSA-N -2 3 394.225 3.244 20 0 GGADHL COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccco1 ZINC000832594052 604364078 /nfs/dbraw/zinc/36/40/78/604364078.db2.gz CARLQLWXVAKNTM-MRXNPFEDSA-N -2 3 393.442 3.116 20 0 GGADHL COc1ccccc1[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1ccco1 ZINC000832596315 604364367 /nfs/dbraw/zinc/36/43/67/604364367.db2.gz PJNBQWZBAOQVJM-INIZCTEOSA-N -2 3 393.442 3.116 20 0 GGADHL Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000832932510 604772872 /nfs/dbraw/zinc/77/28/72/604772872.db2.gz MKCGVUZRUAKMET-UHFFFAOYSA-N -2 3 380.491 3.151 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)cc1C ZINC000831967472 604806636 /nfs/dbraw/zinc/80/66/36/604806636.db2.gz ZOIJINLBECKYAW-UHFFFAOYSA-N -2 3 399.852 3.230 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)c(OC)c1C(=O)[O-] ZINC000833734450 604862004 /nfs/dbraw/zinc/86/20/04/604862004.db2.gz FNWFHNMBTGYNNP-UHFFFAOYSA-N -2 3 385.825 3.165 20 0 GGADHL COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3S[C@H](C)C(=O)[O-])nc21 ZINC000833717354 604869910 /nfs/dbraw/zinc/86/99/10/604869910.db2.gz ZLSSFPKKOMKEHI-SNVBAGLBSA-N -2 3 399.428 3.167 20 0 GGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000504657934 605005534 /nfs/dbraw/zinc/00/55/34/605005534.db2.gz LENHIZXJMCGIGI-UHFFFAOYSA-N -2 3 379.434 3.128 20 0 GGADHL COc1ccc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC000833733139 605012057 /nfs/dbraw/zinc/01/20/57/605012057.db2.gz JBXZOBWLFXNSTB-UHFFFAOYSA-N -2 3 389.351 3.354 20 0 GGADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(F)c1 ZINC000833444116 605028807 /nfs/dbraw/zinc/02/88/07/605028807.db2.gz NYOWMYNFPAXVHS-UHFFFAOYSA-N -2 3 395.408 3.280 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000833523369 605037104 /nfs/dbraw/zinc/03/71/04/605037104.db2.gz NJUUKRHTYYYQLZ-NSHDSACASA-N -2 3 390.392 3.218 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1cccc(C(F)(F)F)c1 ZINC000833459400 605199935 /nfs/dbraw/zinc/19/99/35/605199935.db2.gz BCXTXWZQWKNOFK-UHFFFAOYSA-N -2 3 391.367 3.253 20 0 GGADHL C[C@@]1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCC[C@H]1C(=O)[O-] ZINC000833573009 605246794 /nfs/dbraw/zinc/24/67/94/605246794.db2.gz WVHPZBVADVMJRB-IINYFYTJSA-N -2 3 383.363 3.156 20 0 GGADHL CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)c2C1 ZINC000833487161 605447457 /nfs/dbraw/zinc/44/74/57/605447457.db2.gz FURQSIOLVFIJHO-UHFFFAOYSA-N -2 3 392.452 3.296 20 0 GGADHL O=C(CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000823066069 606833114 /nfs/dbraw/zinc/83/31/14/606833114.db2.gz KYNJNANKVQASPP-UHFFFAOYSA-N -2 3 384.446 3.027 20 0 GGADHL O=C(CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000823066069 606833116 /nfs/dbraw/zinc/83/31/16/606833116.db2.gz KYNJNANKVQASPP-UHFFFAOYSA-N -2 3 384.446 3.027 20 0 GGADHL O=C([O-])CCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826461008 607833680 /nfs/dbraw/zinc/83/36/80/607833680.db2.gz BLBUOADVLWIHHL-UHFFFAOYSA-N -2 3 387.783 3.116 20 0 GGADHL O=C([O-])CCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826461008 607833681 /nfs/dbraw/zinc/83/36/81/607833681.db2.gz BLBUOADVLWIHHL-UHFFFAOYSA-N -2 3 387.783 3.116 20 0 GGADHL O=C(c1ccc([O-])c(Cl)c1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473445 608561335 /nfs/dbraw/zinc/56/13/35/608561335.db2.gz YKDODCZQWWQWEY-UHFFFAOYSA-N -2 3 381.823 3.155 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(Br)c1 ZINC000007230523 1398635405 /nfs/dbraw/zinc/63/54/05/1398635405.db2.gz JGQXLMICRWKDEZ-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(C)ccc3F)c2)n1 ZINC000055621090 1407027013 /nfs/dbraw/zinc/02/70/13/1407027013.db2.gz USIOOUJGONPWSL-UHFFFAOYSA-N -2 3 387.436 3.248 20 0 GGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCOC)cc1C ZINC000055643301 1407038438 /nfs/dbraw/zinc/03/84/38/1407038438.db2.gz AVJORRYQVLDFHW-UHFFFAOYSA-N -2 3 393.461 3.082 20 0 GGADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccoc2)c1 ZINC000028846930 1400203427 /nfs/dbraw/zinc/20/34/27/1400203427.db2.gz LZDACBAVDCPHPW-UHFFFAOYSA-N -2 3 388.401 3.047 20 0 GGADHL CN(CCN(C)C(=O)c1cc(Cl)ccc1[O-])C(=O)c1cc(Cl)ccc1[O-] ZINC000047918856 1404996178 /nfs/dbraw/zinc/99/61/78/1404996178.db2.gz FBQACHOBNOFGDD-UHFFFAOYSA-N -2 3 397.258 3.249 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])cc1OC ZINC000060360588 1407960206 /nfs/dbraw/zinc/96/02/06/1407960206.db2.gz QSMIEZMUGISMJO-UHFFFAOYSA-N -2 3 379.434 3.128 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)cc1F ZINC000068076092 1409293102 /nfs/dbraw/zinc/29/31/02/1409293102.db2.gz KBHQGYFIBAXJTJ-UHFFFAOYSA-N -2 3 383.397 3.122 20 0 GGADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc(-c4cccs4)c3)ccc21 ZINC000068216407 1409332315 /nfs/dbraw/zinc/33/23/15/1409332315.db2.gz PBZSZUKVGBHZFQ-UHFFFAOYSA-N -2 3 384.438 3.100 20 0 GGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1 ZINC000069322197 1409613805 /nfs/dbraw/zinc/61/38/05/1409613805.db2.gz DQHOCRFNHLQMQQ-UHFFFAOYSA-N -2 3 375.446 3.462 20 0 GGADHL Cc1sc(-c2ccco2)nc1C(=O)[N-]NC(=O)c1cc(Cl)ccc1[O-] ZINC000105880451 1411128294 /nfs/dbraw/zinc/12/82/94/1411128294.db2.gz HDNIUZLISSSVFI-UHFFFAOYSA-N -2 3 377.809 3.145 20 0 GGADHL Cc1ccc(-c2nc(C)c(C(=O)[N-]NC(=O)c3cc(Cl)ccc3[O-])s2)o1 ZINC000106275767 1411189825 /nfs/dbraw/zinc/18/98/25/1411189825.db2.gz RWNJFUFTQOYWAT-UHFFFAOYSA-N -2 3 391.836 3.454 20 0 GGADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3cccc3C(=O)[O-])c(C)c2)c1 ZINC000110142721 1411833938 /nfs/dbraw/zinc/83/39/38/1411833938.db2.gz OJDAJOWIRKIBIE-UHFFFAOYSA-N -2 3 398.440 3.487 20 0 GGADHL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(C(=O)[O-])c1 ZINC000110283793 1411842529 /nfs/dbraw/zinc/84/25/29/1411842529.db2.gz KOOXEAUHULLZQB-UHFFFAOYSA-N -3 3 377.418 3.117 20 0 GGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1C(=O)[O-] ZINC000178600313 1429118719 /nfs/dbraw/zinc/11/87/19/1429118719.db2.gz ACOPJMBUVYHSMA-UHFFFAOYSA-N -2 3 389.408 3.073 20 0 GGADHL Cc1cccc(CC(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)c1 ZINC000737392479 1429138309 /nfs/dbraw/zinc/13/83/09/1429138309.db2.gz VVQONBCUWAMHOL-UHFFFAOYSA-N -2 3 390.472 3.404 20 0 GGADHL Cc1cccc(CC(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)c1 ZINC000737392479 1429138312 /nfs/dbraw/zinc/13/83/12/1429138312.db2.gz VVQONBCUWAMHOL-UHFFFAOYSA-N -2 3 390.472 3.404 20 0 GGADHL O=C(C=Cc1cncc(F)c1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826403608 1429486868 /nfs/dbraw/zinc/48/68/68/1429486868.db2.gz XCQGNXTWYLQWHQ-PLNGDYQASA-N -2 3 393.407 3.176 20 0 GGADHL O=C(C=Cc1cncc(F)c1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826403608 1429486873 /nfs/dbraw/zinc/48/68/73/1429486873.db2.gz XCQGNXTWYLQWHQ-PLNGDYQASA-N -2 3 393.407 3.176 20 0 GGADHL COc1ccc2nc([N-]C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)sc2c1 ZINC000821854249 1429535513 /nfs/dbraw/zinc/53/55/13/1429535513.db2.gz IDEWYEHPNKPNBI-JTQLQIEISA-N -2 3 395.448 3.368 20 0 GGADHL CCn1c(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cc2[n-]c1=S ZINC000153617556 1422651207 /nfs/dbraw/zinc/65/12/07/1422651207.db2.gz UKHIABBFQWECHX-UHFFFAOYSA-N -2 3 375.837 3.316 20 0 GGADHL Cc1nc([N-]C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)sc1C ZINC000826326909 1423536921 /nfs/dbraw/zinc/53/69/21/1423536921.db2.gz KGKQFGQKRRUASK-UHFFFAOYSA-N -2 3 381.465 3.261 20 0 GGADHL Cc1nc([N-]C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)sc1C ZINC000826326909 1423536926 /nfs/dbraw/zinc/53/69/26/1423536926.db2.gz KGKQFGQKRRUASK-UHFFFAOYSA-N -2 3 381.465 3.261 20 0 GGADHL C[C@@H]1CCN(C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)[C@@H]1C ZINC000820717693 1424277311 /nfs/dbraw/zinc/27/73/11/1424277311.db2.gz UJNMZHLBCVYNSU-VXGBXAGGSA-N -2 3 383.481 3.176 20 0 GGADHL C[C@@H]1CCN(C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)[C@@H]1C ZINC000820717693 1424277318 /nfs/dbraw/zinc/27/73/18/1424277318.db2.gz UJNMZHLBCVYNSU-VXGBXAGGSA-N -2 3 383.481 3.176 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2Cl)c1Cl ZINC000826304002 1424542221 /nfs/dbraw/zinc/54/22/21/1424542221.db2.gz QKOVTBPOMXBZHG-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2Cl)c1Cl ZINC000826304002 1424542228 /nfs/dbraw/zinc/54/22/28/1424542228.db2.gz QKOVTBPOMXBZHG-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]c1cnc(-c2ccccc2)s1 ZINC000826419300 1424893228 /nfs/dbraw/zinc/89/32/28/1424893228.db2.gz ROMDVOUUSJKSLS-UHFFFAOYSA-N -2 3 378.417 3.008 20 0 GGADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]c1cnc(-c2ccccc2)s1 ZINC000826419300 1424893238 /nfs/dbraw/zinc/89/32/38/1424893238.db2.gz ROMDVOUUSJKSLS-UHFFFAOYSA-N -2 3 378.417 3.008 20 0 GGADHL O=C(C=Cc1cncc(F)c1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826403609 1424984228 /nfs/dbraw/zinc/98/42/28/1424984228.db2.gz XCQGNXTWYLQWHQ-SNAWJCMRSA-N -2 3 393.407 3.176 20 0 GGADHL O=C(C=Cc1cncc(F)c1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826403609 1424984234 /nfs/dbraw/zinc/98/42/34/1424984234.db2.gz XCQGNXTWYLQWHQ-SNAWJCMRSA-N -2 3 393.407 3.176 20 0 GGADHL COc1ccccc1-c1csc([N-]C(=O)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821877244 1425294626 /nfs/dbraw/zinc/29/46/26/1425294626.db2.gz FFYBLTIGRSOWFC-UHFFFAOYSA-N -2 3 392.444 3.180 20 0 GGADHL COc1ccccc1-c1csc([N-]C(=O)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821877244 1425294635 /nfs/dbraw/zinc/29/46/35/1425294635.db2.gz FFYBLTIGRSOWFC-UHFFFAOYSA-N -2 3 392.444 3.180 20 0 GGADHL CC1(C)C[C@H]1CNC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736212415 1425956946 /nfs/dbraw/zinc/95/69/46/1425956946.db2.gz YDMIARBCYWDIIA-ZDUSSCGKSA-N -2 3 383.481 3.082 20 0 GGADHL CC1(C)C[C@H]1CNC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736212415 1425956948 /nfs/dbraw/zinc/95/69/48/1425956948.db2.gz YDMIARBCYWDIIA-ZDUSSCGKSA-N -2 3 383.481 3.082 20 0 GGADHL CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000736823320 1426551741 /nfs/dbraw/zinc/55/17/41/1426551741.db2.gz WNJJCTLIFYEOSU-UHFFFAOYSA-N -2 3 399.454 3.435 20 0 GGADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000736488006 1426733227 /nfs/dbraw/zinc/73/32/27/1426733227.db2.gz NNURBXGIJNPWNE-UHFFFAOYSA-N -2 3 386.481 3.106 20 0 GGADHL CCCNc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000736488006 1426733253 /nfs/dbraw/zinc/73/32/53/1426733253.db2.gz NNURBXGIJNPWNE-UHFFFAOYSA-N -2 3 386.481 3.106 20 0 GGADHL CC(C)(C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccnc1 ZINC000824065169 1426922440 /nfs/dbraw/zinc/92/24/40/1426922440.db2.gz UWPKXLXXFSIXLK-UHFFFAOYSA-N -2 3 391.460 3.302 20 0 GGADHL CC(C)(C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccnc1 ZINC000824065169 1426922446 /nfs/dbraw/zinc/92/24/46/1426922446.db2.gz UWPKXLXXFSIXLK-UHFFFAOYSA-N -2 3 391.460 3.302 20 0 GGADHL O=C(Cc1cccc(-c2nnn[n-]2)c1)[N-]c1ncc(Cc2ccccc2)s1 ZINC000823109143 1427030227 /nfs/dbraw/zinc/03/02/27/1427030227.db2.gz ZFEJQJZKXCNQLY-UHFFFAOYSA-N -2 3 376.445 3.095 20 0 GGADHL O=C(Cc1cccc(-c2nn[n-]n2)c1)[N-]c1ncc(Cc2ccccc2)s1 ZINC000823109143 1427030233 /nfs/dbraw/zinc/03/02/33/1427030233.db2.gz ZFEJQJZKXCNQLY-UHFFFAOYSA-N -2 3 376.445 3.095 20 0 GGADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(Cl)c1F ZINC000823582816 1427049182 /nfs/dbraw/zinc/04/91/82/1427049182.db2.gz BEVVABSNSZALJB-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]c1scnc1-c1ccccc1 ZINC000737932239 1427066665 /nfs/dbraw/zinc/06/66/65/1427066665.db2.gz VIKHGSSJKBWGGO-UHFFFAOYSA-N -2 3 378.417 3.008 20 0 GGADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1nnc2ccccc2c1[O-] ZINC000174922952 1427447510 /nfs/dbraw/zinc/44/75/10/1427447510.db2.gz FWFFNICGGGBSBJ-UHFFFAOYSA-N -2 3 394.612 3.297 20 0 GGADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]c1nnc(C=Cc2ccco2)s1 ZINC000826251114 1427606695 /nfs/dbraw/zinc/60/66/95/1427606695.db2.gz FPARLLGROGXHKO-ALCCZGGFSA-N -2 3 379.405 3.042 20 0 GGADHL O=C(Nc1ncccc1[O-])c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000738210189 1427910644 /nfs/dbraw/zinc/91/06/44/1427910644.db2.gz ULRGCWXWRQGVLC-UHFFFAOYSA-N -2 3 392.350 3.151 20 0 GGADHL O=C(Nc1ncccc1[O-])c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000738210189 1427910647 /nfs/dbraw/zinc/91/06/47/1427910647.db2.gz ULRGCWXWRQGVLC-UHFFFAOYSA-N -2 3 392.350 3.151 20 0 GGADHL Cc1ccc(C)c2sc([N-]C(=O)CNc3ccc(-c4nn[n-]n4)cc3)nc21 ZINC000737328179 1427995364 /nfs/dbraw/zinc/99/53/64/1427995364.db2.gz DRFGXVQYAKBXKP-UHFFFAOYSA-N -2 3 379.449 3.144 20 0 GGADHL Cc1ccc(C)c2sc([N-]C(=O)CNc3ccc(-c4nnn[n-]4)cc3)nc21 ZINC000737328179 1427995367 /nfs/dbraw/zinc/99/53/67/1427995367.db2.gz DRFGXVQYAKBXKP-UHFFFAOYSA-N -2 3 379.449 3.144 20 0 GGADHL O=C(Cc1cc(F)ccc1F)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000823074494 1430217975 /nfs/dbraw/zinc/21/79/75/1430217975.db2.gz SRZNHBAQUSCNHI-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL O=C(Cc1cc(F)ccc1F)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000823074494 1430217976 /nfs/dbraw/zinc/21/79/76/1430217976.db2.gz SRZNHBAQUSCNHI-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c(C)c1CC(=O)[O-] ZINC000181217173 1430249995 /nfs/dbraw/zinc/24/99/95/1430249995.db2.gz JDGVRPBSIKGCRI-UHFFFAOYSA-N -2 3 399.472 3.430 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c(C)c1CC(=O)[O-] ZINC000181255902 1430257184 /nfs/dbraw/zinc/25/71/84/1430257184.db2.gz XHAGLVIBEATQBX-UHFFFAOYSA-N -2 3 376.409 3.051 20 0 GGADHL O=C(c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1F)N1CCCC1 ZINC000182491726 1430476778 /nfs/dbraw/zinc/47/67/78/1430476778.db2.gz SCMAGWCERWEDKW-UHFFFAOYSA-N -2 3 398.843 3.222 20 0 GGADHL CCCCOc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c([O-])c1 ZINC000190054885 1432312064 /nfs/dbraw/zinc/31/20/64/1432312064.db2.gz DMGGUYMPPBULBI-UHFFFAOYSA-N -2 3 387.461 3.141 20 0 GGADHL Cc1cc(C)n(-c2ccc(Cl)c(C(=O)[N-]N=c3cnc4ccccc4[n-]3)n2)n1 ZINC000193560876 1433020026 /nfs/dbraw/zinc/02/00/26/1433020026.db2.gz HCTAZLFVSGKKGM-UHFFFAOYSA-N -2 3 393.838 3.238 20 0 GGADHL Cc1cc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c(OC(F)F)cc1C ZINC000195503272 1433337434 /nfs/dbraw/zinc/33/74/34/1433337434.db2.gz ZERUEFUTRXQYMC-GQCTYLIASA-N -2 3 378.375 3.484 20 0 GGADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000262077308 1433926014 /nfs/dbraw/zinc/92/60/14/1433926014.db2.gz DLDFPCCLJMLPAZ-UHFFFAOYSA-N -2 3 385.791 3.281 20 0 GGADHL COc1ccc(OC(F)F)c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1 ZINC000281783730 1435821828 /nfs/dbraw/zinc/82/18/28/1435821828.db2.gz DLZICBURDQMTJL-XVNBXDOJSA-N -2 3 380.347 3.288 20 0 GGADHL Cc1nc(C=Cc2c(Cl)n(C)nc2C(F)(F)F)[n-]c(=O)c1CCC(=O)[O-] ZINC000281805967 1435822798 /nfs/dbraw/zinc/82/27/98/1435822798.db2.gz FUXHIMLVFLFMNX-HWKANZROSA-N -2 3 390.749 3.084 20 0 GGADHL COc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c(OC(F)F)c1 ZINC000282292439 1435841987 /nfs/dbraw/zinc/84/19/87/1435841987.db2.gz WKMPRUFWADKVHG-QPJJXVBHSA-N -2 3 380.347 3.288 20 0 GGADHL O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)[N-]c1nc2c(s1)CCC2 ZINC000826421187 1441455075 /nfs/dbraw/zinc/45/50/75/1441455075.db2.gz VTRUVUIZSJARRV-UHFFFAOYSA-N -2 3 392.897 3.196 20 0 GGADHL O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)[N-]c1nc2c(s1)CCC2 ZINC000826421187 1441455079 /nfs/dbraw/zinc/45/50/79/1441455079.db2.gz VTRUVUIZSJARRV-UHFFFAOYSA-N -2 3 392.897 3.196 20 0 GGADHL O=C(CSc1ccccc1-c1nnn[n-]1)[N-]c1nc2ccc(F)cc2s1 ZINC000737946207 1441496449 /nfs/dbraw/zinc/49/64/49/1441496449.db2.gz BTWIVQWVIVNGGH-UHFFFAOYSA-N -2 3 386.437 3.346 20 0 GGADHL O=C(CSc1ccccc1-c1nn[n-]n1)[N-]c1nc2ccc(F)cc2s1 ZINC000737946207 1441496451 /nfs/dbraw/zinc/49/64/51/1441496451.db2.gz BTWIVQWVIVNGGH-UHFFFAOYSA-N -2 3 386.437 3.346 20 0 GGADHL CCc1nc(CC(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cs1 ZINC000825745771 1441514092 /nfs/dbraw/zinc/51/40/92/1441514092.db2.gz OJRAQGWYRZYDMZ-UHFFFAOYSA-N -2 3 397.489 3.190 20 0 GGADHL CCc1nc(CC(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cs1 ZINC000825745771 1441514094 /nfs/dbraw/zinc/51/40/94/1441514094.db2.gz OJRAQGWYRZYDMZ-UHFFFAOYSA-N -2 3 397.489 3.190 20 0 GGADHL CC[C@H]1C[C@@H](C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCO1 ZINC000825182708 1441655189 /nfs/dbraw/zinc/65/51/89/1441655189.db2.gz LUHCUIAOXLATOG-GJZGRUSLSA-N -2 3 398.492 3.058 20 0 GGADHL CC[C@H]1C[C@@H](C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCO1 ZINC000825182708 1441655192 /nfs/dbraw/zinc/65/51/92/1441655192.db2.gz LUHCUIAOXLATOG-GJZGRUSLSA-N -2 3 398.492 3.058 20 0 GGADHL CC[C@@H]1C[C@H](C(=O)[N-]c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCO1 ZINC000825182506 1441736564 /nfs/dbraw/zinc/73/65/64/1441736564.db2.gz KKRCIZHRJKKNHB-ZIAGYGMSSA-N -2 3 384.465 3.134 20 0 GGADHL CC[C@@H]1C[C@H](C(=O)[N-]c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCO1 ZINC000825182506 1441736567 /nfs/dbraw/zinc/73/65/67/1441736567.db2.gz KKRCIZHRJKKNHB-ZIAGYGMSSA-N -2 3 384.465 3.134 20 0 GGADHL CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1F ZINC000819958543 1441751150 /nfs/dbraw/zinc/75/11/50/1441751150.db2.gz NYIAMMASDDXBMJ-UHFFFAOYSA-N -2 3 375.429 3.104 20 0 GGADHL Cc1ccc(CC(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1O ZINC000826286859 1441935681 /nfs/dbraw/zinc/93/56/81/1441935681.db2.gz TXZPFSOZPBHODN-UHFFFAOYSA-N -2 3 392.444 3.185 20 0 GGADHL Cc1ccc(CC(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1O ZINC000826286859 1441935684 /nfs/dbraw/zinc/93/56/84/1441935684.db2.gz TXZPFSOZPBHODN-UHFFFAOYSA-N -2 3 392.444 3.185 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2Cl)c(Cl)c1 ZINC000822267443 1441990719 /nfs/dbraw/zinc/99/07/19/1441990719.db2.gz TUXRDAPWZUZYSM-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL O=S(=O)([N-]c1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492759 1442009280 /nfs/dbraw/zinc/00/92/80/1442009280.db2.gz BQWXHWFEKYMQQL-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1cccc(Cl)c1F)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492759 1442009284 /nfs/dbraw/zinc/00/92/84/1442009284.db2.gz BQWXHWFEKYMQQL-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000822223556 1442032595 /nfs/dbraw/zinc/03/25/95/1442032595.db2.gz BHVBXTKAWDGHBD-UHFFFAOYSA-N -2 3 397.382 3.081 20 0 GGADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000822223556 1442032598 /nfs/dbraw/zinc/03/25/98/1442032598.db2.gz BHVBXTKAWDGHBD-UHFFFAOYSA-N -2 3 397.382 3.081 20 0 GGADHL C[C@@H](CC(=O)[N-]c1ncc(-c2nn[n-]n2)s1)c1ccccc1C(F)(F)F ZINC000820225289 1442116665 /nfs/dbraw/zinc/11/66/65/1442116665.db2.gz FTBVUCBGBUXIHC-QMMMGPOBSA-N -2 3 382.371 3.474 20 0 GGADHL C[C@@H](CC(=O)[N-]c1ncc(-c2nnn[n-]2)s1)c1ccccc1C(F)(F)F ZINC000820225289 1442116669 /nfs/dbraw/zinc/11/66/69/1442116669.db2.gz FTBVUCBGBUXIHC-QMMMGPOBSA-N -2 3 382.371 3.474 20 0 GGADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]c1nc(Cc2ccccc2)cs1 ZINC000826422027 1442352609 /nfs/dbraw/zinc/35/26/09/1442352609.db2.gz JXUIQQOFOVMEJI-UHFFFAOYSA-N -2 3 376.445 3.095 20 0 GGADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]c1nc(Cc2ccccc2)cs1 ZINC000826422027 1442352614 /nfs/dbraw/zinc/35/26/14/1442352614.db2.gz JXUIQQOFOVMEJI-UHFFFAOYSA-N -2 3 376.445 3.095 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1C ZINC000822266749 1442391173 /nfs/dbraw/zinc/39/11/73/1442391173.db2.gz GZCPMGQNHWCJPB-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC000737300901 1443621798 /nfs/dbraw/zinc/62/17/98/1443621798.db2.gz FQXOICCJYKRYFB-UHFFFAOYSA-N -2 3 397.382 3.081 20 0 GGADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC000737300901 1443621799 /nfs/dbraw/zinc/62/17/99/1443621799.db2.gz FQXOICCJYKRYFB-UHFFFAOYSA-N -2 3 397.382 3.081 20 0 GGADHL O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823383613 1443770169 /nfs/dbraw/zinc/77/01/69/1443770169.db2.gz WLIGGCVLRJMZFV-UHFFFAOYSA-N -2 3 383.824 3.291 20 0 GGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000824334515 1446147330 /nfs/dbraw/zinc/14/73/30/1446147330.db2.gz WQYDUWSAJNFPQE-UHFFFAOYSA-N -2 3 393.856 3.108 20 0 GGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000824334515 1446147332 /nfs/dbraw/zinc/14/73/32/1446147332.db2.gz WQYDUWSAJNFPQE-UHFFFAOYSA-N -2 3 393.856 3.108 20 0 GGADHL C[C@H](C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1ccco1 ZINC000735571569 1446518021 /nfs/dbraw/zinc/51/80/21/1446518021.db2.gz YZOCWCBSFSJLRY-NSHDSACASA-N -2 3 380.433 3.249 20 0 GGADHL C[C@H](C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1ccco1 ZINC000735571569 1446518023 /nfs/dbraw/zinc/51/80/23/1446518023.db2.gz YZOCWCBSFSJLRY-NSHDSACASA-N -2 3 380.433 3.249 20 0 GGADHL Cc1ccc(Cc2cnc([N-]C(=O)CCCc3nnn[n-]3)s2)cc1Cl ZINC001136307917 1446630583 /nfs/dbraw/zinc/63/05/83/1446630583.db2.gz KGFNCPRORLHJGB-UHFFFAOYSA-N -2 3 376.873 3.170 20 0 GGADHL Cc1ccc(Cc2cnc([N-]C(=O)CCCc3nn[n-]n3)s2)cc1Cl ZINC001136307917 1446630589 /nfs/dbraw/zinc/63/05/89/1446630589.db2.gz KGFNCPRORLHJGB-UHFFFAOYSA-N -2 3 376.873 3.170 20 0 GGADHL O=C(Cc1cc(F)ccc1F)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826421440 1446673603 /nfs/dbraw/zinc/67/36/03/1446673603.db2.gz IGYRSWRHHYNLCH-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL O=C(Cc1cc(F)ccc1F)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826421440 1446673611 /nfs/dbraw/zinc/67/36/11/1446673611.db2.gz IGYRSWRHHYNLCH-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL O=C([N-]C1(c2cccc(-c3nn[n-]n3)c2)CC1)C(F)(F)c1c(F)cccc1F ZINC000826427604 1446875529 /nfs/dbraw/zinc/87/55/29/1446875529.db2.gz VHWHMSUOMRBDBC-UHFFFAOYSA-N -2 3 391.328 3.042 20 0 GGADHL O=C([N-]C1(c2cccc(-c3nnn[n-]3)c2)CC1)C(F)(F)c1c(F)cccc1F ZINC000826427604 1446875532 /nfs/dbraw/zinc/87/55/32/1446875532.db2.gz VHWHMSUOMRBDBC-UHFFFAOYSA-N -2 3 391.328 3.042 20 0 GGADHL CCc1ccc(-c2csc([N-]C(=O)Cc3noc(C)c3-c3nnn[n-]3)n2)cc1 ZINC000825700389 1447006889 /nfs/dbraw/zinc/00/68/89/1447006889.db2.gz DRGMADDVBRPPJV-UHFFFAOYSA-N -2 3 395.448 3.030 20 0 GGADHL CCc1ccc(-c2csc([N-]C(=O)Cc3noc(C)c3-c3nn[n-]n3)n2)cc1 ZINC000825700389 1447006892 /nfs/dbraw/zinc/00/68/92/1447006892.db2.gz DRGMADDVBRPPJV-UHFFFAOYSA-N -2 3 395.448 3.030 20 0 GGADHL O=C(CC[C@H]1CCCCO1)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737826125 1449455115 /nfs/dbraw/zinc/45/51/15/1449455115.db2.gz QBSZGBGVNIDLGU-OAHLLOKOSA-N -2 3 398.492 3.202 20 0 GGADHL O=C(CC[C@H]1CCCCO1)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737826125 1449455117 /nfs/dbraw/zinc/45/51/17/1449455117.db2.gz QBSZGBGVNIDLGU-OAHLLOKOSA-N -2 3 398.492 3.202 20 0 GGADHL O=C([N-]c1nccs1)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826440971 1449606948 /nfs/dbraw/zinc/60/69/48/1449606948.db2.gz HSDNECJOIWRJPD-UHFFFAOYSA-N -2 3 377.433 3.312 20 0 GGADHL O=C([N-]c1nccs1)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826440971 1449606955 /nfs/dbraw/zinc/60/69/55/1449606955.db2.gz HSDNECJOIWRJPD-UHFFFAOYSA-N -2 3 377.433 3.312 20 0 GGADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]c1cc(-c2ccccc2)ns1 ZINC000737932487 1449701350 /nfs/dbraw/zinc/70/13/50/1449701350.db2.gz XPVNMVCEFTXUSO-UHFFFAOYSA-N -2 3 378.417 3.008 20 0 GGADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]c1cc(-c2ccccc2)ns1 ZINC000737932487 1449701352 /nfs/dbraw/zinc/70/13/52/1449701352.db2.gz XPVNMVCEFTXUSO-UHFFFAOYSA-N -2 3 378.417 3.008 20 0 GGADHL COc1cccc(CC(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826215372 1449714036 /nfs/dbraw/zinc/71/40/36/1449714036.db2.gz NCHSUFUKIIOYMD-UHFFFAOYSA-N -2 3 392.444 3.180 20 0 GGADHL COc1cccc(CC(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826215372 1449714040 /nfs/dbraw/zinc/71/40/40/1449714040.db2.gz NCHSUFUKIIOYMD-UHFFFAOYSA-N -2 3 392.444 3.180 20 0 GGADHL Cc1nc(-c2ccc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)nc2)[n-]c(=O)c1C ZINC000822418615 1449850084 /nfs/dbraw/zinc/85/00/84/1449850084.db2.gz ACRPMQGRJACXMX-ZDUSSCGKSA-N -2 3 388.435 3.214 20 0 GGADHL Cc1nc(-c2ccc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)nc2)[n-]c(=O)c1C ZINC000822418615 1449850092 /nfs/dbraw/zinc/85/00/92/1449850092.db2.gz ACRPMQGRJACXMX-ZDUSSCGKSA-N -2 3 388.435 3.214 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000825643088 1449956725 /nfs/dbraw/zinc/95/67/25/1449956725.db2.gz IHJKZFMKBVHBLM-UHFFFAOYSA-N -2 3 393.856 3.028 20 0 GGADHL C[C@@H]1CC[C@@H](C)N1C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820683743 1450218123 /nfs/dbraw/zinc/21/81/23/1450218123.db2.gz GPRHJJXWEGROLF-VXGBXAGGSA-N -2 3 383.481 3.319 20 0 GGADHL C[C@@H]1CC[C@@H](C)N1C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820683743 1450218125 /nfs/dbraw/zinc/21/81/25/1450218125.db2.gz GPRHJJXWEGROLF-VXGBXAGGSA-N -2 3 383.481 3.319 20 0 GGADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1C ZINC000737280458 1450248659 /nfs/dbraw/zinc/24/86/59/1450248659.db2.gz WCZPSHPYLPYWBR-UHFFFAOYSA-N -2 3 387.465 3.072 20 0 GGADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1C ZINC000737280458 1450248660 /nfs/dbraw/zinc/24/86/60/1450248660.db2.gz WCZPSHPYLPYWBR-UHFFFAOYSA-N -2 3 387.465 3.072 20 0 GGADHL C[C@@H]1CCC[C@H]1NC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736260451 1450348904 /nfs/dbraw/zinc/34/89/04/1450348904.db2.gz HQAJLSFAMLBEEL-IAQYHMDHSA-N -2 3 383.481 3.224 20 0 GGADHL C[C@@H]1CCC[C@H]1NC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736260451 1450348907 /nfs/dbraw/zinc/34/89/07/1450348907.db2.gz HQAJLSFAMLBEEL-IAQYHMDHSA-N -2 3 383.481 3.224 20 0 GGADHL O=C([N-]c1cc(-c2ccccc2)ns1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823250401 1450455108 /nfs/dbraw/zinc/45/51/08/1450455108.db2.gz WYVQTEFKZNINAL-UHFFFAOYSA-N -2 3 395.423 3.451 20 0 GGADHL O=C([N-]c1cc(-c2ccccc2)ns1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823250401 1450455110 /nfs/dbraw/zinc/45/51/10/1450455110.db2.gz WYVQTEFKZNINAL-UHFFFAOYSA-N -2 3 395.423 3.451 20 0 GGADHL O=C([O-])[C@@H](Cc1ccncc1)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC001601659928 971038115 /nfs/dbraw/zinc/03/81/15/971038115.db2.gz MGWQUSYKVVMAPI-GFCCVEGCSA-N -2 3 389.185 3.292 20 0 GGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]Cc2ccc(F)c(Cl)c2)c1F ZINC000324293534 971106011 /nfs/dbraw/zinc/10/60/11/971106011.db2.gz BBDBTHIKNYOTTB-UHFFFAOYSA-N -2 3 396.198 3.448 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-])c1nccs1 ZINC000325084685 971183378 /nfs/dbraw/zinc/18/33/78/971183378.db2.gz ZYYBAPDEXVUXJJ-JTQLQIEISA-N -2 3 382.488 3.486 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)ccc1O ZINC000326498521 971297886 /nfs/dbraw/zinc/29/78/86/971297886.db2.gz OXBSMWLTLZRHNZ-UHFFFAOYSA-N -2 3 379.287 3.049 20 0 GGADHL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cc1 ZINC000327495086 971403318 /nfs/dbraw/zinc/40/33/18/971403318.db2.gz YWFCOXYOIHYQSX-FPYGCLRLSA-N -2 3 395.849 3.243 20 0 GGADHL CC(C)(C)CC[C@H](NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C(=O)[O-] ZINC001602861615 971723008 /nfs/dbraw/zinc/72/30/08/971723008.db2.gz DAZMIQDIDMHWBZ-JTQLQIEISA-N -2 3 385.486 3.499 20 0 GGADHL O=C([O-])[C@H](Cc1ccncc1)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001594840859 954077128 /nfs/dbraw/zinc/07/71/28/954077128.db2.gz MGBIVJUYZQZVCU-ZDUSSCGKSA-N -2 3 389.185 3.292 20 0 GGADHL O=C([O-])[C@@H](Cc1ccncc1)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001594840858 954077537 /nfs/dbraw/zinc/07/75/37/954077537.db2.gz MGBIVJUYZQZVCU-CYBMUJFWSA-N -2 3 389.185 3.292 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(F)cc1 ZINC001594842646 954093004 /nfs/dbraw/zinc/09/30/04/954093004.db2.gz FMBDRDWXSFHACW-SNVBAGLBSA-N -2 3 384.237 3.298 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653494282 954180202 /nfs/dbraw/zinc/18/02/02/954180202.db2.gz WQQJOXBNBSJYOG-FPMFFAJLSA-N -2 3 394.518 3.224 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCCCCC1 ZINC001594884469 954449882 /nfs/dbraw/zinc/44/98/82/954449882.db2.gz DAUQZYAKMHZEPB-UHFFFAOYSA-N -2 3 380.491 3.266 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCCCCC1 ZINC001594884452 954450102 /nfs/dbraw/zinc/45/01/02/954450102.db2.gz BUYYNGLWCJIHHJ-UHFFFAOYSA-N -2 3 399.362 3.180 20 0 GGADHL CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000386327378 972045318 /nfs/dbraw/zinc/04/53/18/972045318.db2.gz GSVMZJGJKGZLBK-UHFFFAOYSA-N -2 3 382.276 3.091 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1F ZINC000389125497 972208359 /nfs/dbraw/zinc/20/83/59/972208359.db2.gz MXLIMSJXPCYSEW-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CCOC(=O)C(=Cc1ccc(C(=O)[O-])cc1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000007502858 956882013 /nfs/dbraw/zinc/88/20/13/956882013.db2.gz RMDMZSKVKXGSIK-ZROIWOOFSA-N -2 3 398.440 3.403 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1C(F)(F)F ZINC000013453797 957089163 /nfs/dbraw/zinc/08/91/63/957089163.db2.gz JBIQUUDIEJNTBG-UHFFFAOYSA-N -2 3 375.324 3.218 20 0 GGADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(F)cc1F ZINC000047383447 957455109 /nfs/dbraw/zinc/45/51/09/957455109.db2.gz PYXXFNMZAQLZMW-UHFFFAOYSA-N -2 3 392.723 3.025 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1 ZINC000047906791 957456546 /nfs/dbraw/zinc/45/65/46/957456546.db2.gz MVIHXOZKPSAPRX-UHFFFAOYSA-N -2 3 391.445 3.272 20 0 GGADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1C ZINC000067124869 957644683 /nfs/dbraw/zinc/64/46/83/957644683.db2.gz BCMKRXANMCCMMM-UHFFFAOYSA-N -2 3 399.852 3.173 20 0 GGADHL C[C@](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001603193074 972296622 /nfs/dbraw/zinc/29/66/22/972296622.db2.gz HRDCJQCWPMILIN-MRXNPFEDSA-N -2 3 388.272 3.314 20 0 GGADHL Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C)c(Br)c1 ZINC001594307038 957978074 /nfs/dbraw/zinc/97/80/74/957978074.db2.gz CTZBBDDISMCSEL-VIFPVBQESA-N -2 3 398.706 3.046 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC001573455158 958894894 /nfs/dbraw/zinc/89/48/94/958894894.db2.gz QVDUSGVLLKNKET-SFHVURJKSA-N -2 3 391.449 3.220 20 0 GGADHL Cc1nc(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)c(-c2ccccc2)s1 ZINC001594460687 959456282 /nfs/dbraw/zinc/45/62/82/959456282.db2.gz LKMYNHWCACVJFF-UHFFFAOYSA-N -2 3 388.470 3.295 20 0 GGADHL CSc1cc(Cl)c(C(F)(F)F)cc1[N-]C(=O)c1cn(CC(=O)[O-])nn1 ZINC001574257607 960545511 /nfs/dbraw/zinc/54/55/11/960545511.db2.gz RLRVJLMEEKICOS-UHFFFAOYSA-N -2 3 394.762 3.009 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)c(F)cc1Cl ZINC001238764768 960633733 /nfs/dbraw/zinc/63/37/33/960633733.db2.gz AWYARYSLPZPTEZ-UHFFFAOYSA-N -2 3 396.827 3.180 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccc(Cl)c2)c(F)cc1Cl ZINC001259212352 960663678 /nfs/dbraw/zinc/66/36/78/960663678.db2.gz MUZMQIWYYCPPCV-UHFFFAOYSA-N -2 3 378.208 3.309 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2cccc(Cl)c2)c(F)cc1Cl ZINC001259221323 960682278 /nfs/dbraw/zinc/68/22/78/960682278.db2.gz BHWZXBPYHFKTTB-UHFFFAOYSA-N -2 3 392.235 3.352 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2c(F)cc(F)cc2F)c(F)cc1Cl ZINC001259222711 960687458 /nfs/dbraw/zinc/68/74/58/960687458.db2.gz CREIZIUYMSOJCP-UHFFFAOYSA-N -2 3 397.733 3.073 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc32)c(F)cc1Cl ZINC001259225173 960690508 /nfs/dbraw/zinc/69/05/08/960690508.db2.gz FGVHVZASYZTGCG-LLVKDONJSA-N -2 3 383.828 3.186 20 0 GGADHL COC1CCC(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1 ZINC001259225039 960691511 /nfs/dbraw/zinc/69/15/11/960691511.db2.gz YMOONOWQVZWADV-UHFFFAOYSA-N -2 3 393.864 3.051 20 0 GGADHL Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-] ZINC001574307624 960750373 /nfs/dbraw/zinc/75/03/73/960750373.db2.gz FFRGVLBKKWOMFB-VIFPVBQESA-N -2 3 398.344 3.377 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NC2(CC(=O)[O-])CCCCC2)s1 ZINC001588728537 961083297 /nfs/dbraw/zinc/08/32/97/961083297.db2.gz WVBNCDRZZLVIGS-UHFFFAOYSA-N -2 3 383.470 3.398 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccc(C(=O)[O-])o3)c2)n1 ZINC001573952335 961647878 /nfs/dbraw/zinc/64/78/78/961647878.db2.gz GEDLGMQLJKBLSD-VQHVLOKHSA-N -2 3 379.372 3.355 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccc(C(=O)[O-])o3)c2)n1 ZINC001573952334 961648233 /nfs/dbraw/zinc/64/82/33/961648233.db2.gz GEDLGMQLJKBLSD-CLFYSBASSA-N -2 3 379.372 3.355 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1csnc1-c1ccccc1)CC(=O)[O-] ZINC001588898739 962241641 /nfs/dbraw/zinc/24/16/41/962241641.db2.gz YZEJDQHDEYOAHK-ZDUSSCGKSA-N -2 3 382.507 3.225 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)CC(=O)[O-] ZINC001588898737 962241828 /nfs/dbraw/zinc/24/18/28/962241828.db2.gz YRGOLGOWXVGFHY-ZDUSSCGKSA-N -2 3 382.507 3.225 20 0 GGADHL O=C([O-])[C@H]1CN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)Cc2ccccc21 ZINC001574658177 962484233 /nfs/dbraw/zinc/48/42/33/962484233.db2.gz XMASYKWAWVMEGE-HNNXBMFYSA-N -2 3 382.803 3.006 20 0 GGADHL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2Br)c1C(=O)[O-] ZINC000314137357 963715898 /nfs/dbraw/zinc/71/58/98/963715898.db2.gz ORABHBRPKRJQKC-UHFFFAOYSA-N -2 3 388.239 3.466 20 0 GGADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc(Br)ccc2F)CCCCC1 ZINC001606084698 973243610 /nfs/dbraw/zinc/24/36/10/973243610.db2.gz CBSNNUBNLQDCTA-UHFFFAOYSA-N -2 3 394.262 3.044 20 0 GGADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000400479405 973286972 /nfs/dbraw/zinc/28/69/72/973286972.db2.gz XRLHLGQMXTWSRZ-LDYMZIIASA-N -2 3 398.706 3.270 20 0 GGADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000400479402 973287115 /nfs/dbraw/zinc/28/71/15/973287115.db2.gz XRLHLGQMXTWSRZ-KWQFWETISA-N -2 3 398.706 3.270 20 0 GGADHL O=C([O-])c1cccc(NC(=O)c2c[n-]c3ccc(Br)cc3c2=O)c1 ZINC001606517070 974011074 /nfs/dbraw/zinc/01/10/74/974011074.db2.gz BGKYQVOBRIHIAP-UHFFFAOYSA-N -2 3 387.189 3.241 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1Cl ZINC000438780313 974102483 /nfs/dbraw/zinc/10/24/83/974102483.db2.gz XBNVMFBOLACFQZ-CYBMUJFWSA-N -2 3 397.836 3.007 20 0 GGADHL O=C([O-])c1ccccc1CC(=O)[N-]OCc1ccc(F)cc1Br ZINC001605720347 974154412 /nfs/dbraw/zinc/15/44/12/974154412.db2.gz RVXSVSSDUJQBTL-UHFFFAOYSA-N -2 3 382.185 3.077 20 0 GGADHL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1)C(=O)[O-] ZINC000463784333 974187921 /nfs/dbraw/zinc/18/79/21/974187921.db2.gz SPLFQMKHVMVFOW-AWEZNQCLSA-N -3 3 391.445 3.147 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(NC(=O)NC(C)C)cc1 ZINC000466350731 974190267 /nfs/dbraw/zinc/19/02/67/974190267.db2.gz WGCOTCYLBOYXAL-UHFFFAOYSA-N -2 3 391.449 3.024 20 0 GGADHL Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466353200 974190604 /nfs/dbraw/zinc/19/06/04/974190604.db2.gz QZIUAPKLOLNDLC-UHFFFAOYSA-N -2 3 399.428 3.385 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1OCC ZINC000485792728 974237758 /nfs/dbraw/zinc/23/77/58/974237758.db2.gz OEGDBCZNCKWXSI-UHFFFAOYSA-N -2 3 383.397 3.122 20 0 GGADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1F ZINC000494633400 974261073 /nfs/dbraw/zinc/26/10/73/974261073.db2.gz NQNIJLICPWMTCH-UHFFFAOYSA-N -2 3 393.314 3.266 20 0 GGADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000494680867 974261191 /nfs/dbraw/zinc/26/11/91/974261191.db2.gz PBQVFWXEPVDKLI-UHFFFAOYSA-N -2 3 393.314 3.266 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccccc3C(=O)[O-])c2)n1 ZINC000539678432 974399733 /nfs/dbraw/zinc/39/97/33/974399733.db2.gz WJRLXSVHHSPEIU-UHFFFAOYSA-N -2 3 377.400 3.291 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000544645340 974422164 /nfs/dbraw/zinc/42/21/64/974422164.db2.gz NGVSYIIQCUKPJW-CYBMUJFWSA-N -3 3 391.445 3.066 20 0 GGADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000548261840 974461803 /nfs/dbraw/zinc/46/18/03/974461803.db2.gz FNJJNTSJEZEGQO-UHFFFAOYSA-N -2 3 388.470 3.029 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2C(F)(F)F)cc1C(=O)[O-] ZINC000563070027 974512486 /nfs/dbraw/zinc/51/24/86/974512486.db2.gz VQQBYRUIHZCXNM-VIFPVBQESA-N -2 3 391.367 3.215 20 0 GGADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c1 ZINC000583844344 974946580 /nfs/dbraw/zinc/94/65/80/974946580.db2.gz DMXJGKCYMXKVAS-UHFFFAOYSA-N -2 3 389.351 3.056 20 0 GGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)c1C ZINC000649644394 975428963 /nfs/dbraw/zinc/42/89/63/975428963.db2.gz XHVZNIRXKDIZHJ-OAHLLOKOSA-N -2 3 375.446 3.306 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC(C)(C)Oc3cc(F)ccc32)oc1C(=O)[O-] ZINC000663422643 975949381 /nfs/dbraw/zinc/94/93/81/975949381.db2.gz GROYTEZZILXDBG-GFCCVEGCSA-N -2 3 383.397 3.006 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC(C)(C)Oc3ccc(F)cc32)oc1C(=O)[O-] ZINC000663428410 975953508 /nfs/dbraw/zinc/95/35/08/975953508.db2.gz RBZAULWLONPPNR-GFCCVEGCSA-N -2 3 383.397 3.006 20 0 GGADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2cccc(OCc3ccccc3)c2)c1 ZINC000694156386 976671050 /nfs/dbraw/zinc/67/10/50/976671050.db2.gz PZAMBTDGFBPYNU-UHFFFAOYSA-N -2 3 387.413 3.035 20 0 GGADHL C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001592444160 978101077 /nfs/dbraw/zinc/10/10/77/978101077.db2.gz KNVNTDFMUAIFDQ-QMMMGPOBSA-N -2 3 396.278 3.389 20 0 GGADHL C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001592444605 978103554 /nfs/dbraw/zinc/10/35/54/978103554.db2.gz OXXIDMYGXXNSAT-MRVPVSSYSA-N -2 3 396.278 3.389 20 0 GGADHL C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001592552263 978438539 /nfs/dbraw/zinc/43/85/39/978438539.db2.gz SPXCVYKGCAMENV-VIFPVBQESA-N -2 3 375.805 3.070 20 0 GGADHL CS(=O)(=O)c1ccc(C(=O)[N-]c2scc(-c3ccccc3)c2C(=O)[O-])o1 ZINC000738141315 978485811 /nfs/dbraw/zinc/48/58/11/978485811.db2.gz UGSXZUITPPVMRK-UHFFFAOYSA-N -2 3 391.426 3.362 20 0 GGADHL CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000757654941 978703380 /nfs/dbraw/zinc/70/33/80/978703380.db2.gz IXPTVKJNCPASAX-UHFFFAOYSA-N -2 3 392.433 3.087 20 0 GGADHL CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761263187 978707366 /nfs/dbraw/zinc/70/73/66/978707366.db2.gz FXELSAOMSYEVPG-PSASIEDQSA-N -2 3 396.328 3.456 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCC2CCCCC2)c(Br)o1 ZINC000761260279 978707475 /nfs/dbraw/zinc/70/74/75/978707475.db2.gz STUJOAGJACDNSX-UHFFFAOYSA-N -2 3 394.287 3.379 20 0 GGADHL C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1 ZINC000761264131 978708008 /nfs/dbraw/zinc/70/80/08/978708008.db2.gz BPFLASUULGXTCX-YUMQZZPRSA-N -2 3 382.301 3.066 20 0 GGADHL CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1 ZINC000761304814 978708837 /nfs/dbraw/zinc/70/88/37/978708837.db2.gz JZCKUSXXWBKSJK-IUCAKERBSA-N -2 3 396.328 3.456 20 0 GGADHL CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1 ZINC000761304810 978708845 /nfs/dbraw/zinc/70/88/45/978708845.db2.gz JZCKUSXXWBKSJK-BDAKNGLRSA-N -2 3 396.328 3.456 20 0 GGADHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CC1 ZINC000785725035 978794481 /nfs/dbraw/zinc/79/44/81/978794481.db2.gz KZHZCFHJZABKJY-DTWKUNHWSA-N -2 3 396.328 3.456 20 0 GGADHL CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)[O-])c3)cc2O1 ZINC000785490159 978794591 /nfs/dbraw/zinc/79/45/91/978794591.db2.gz XJTCRDAZYBWXAS-GOSISDBHSA-N -2 3 393.417 3.092 20 0 GGADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(F)c1 ZINC000793367095 978804999 /nfs/dbraw/zinc/80/49/99/978804999.db2.gz GOTSWICOSPYXKR-UHFFFAOYSA-N -2 3 396.415 3.372 20 0 GGADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000797429291 978834008 /nfs/dbraw/zinc/83/40/08/978834008.db2.gz PFMBEHODLVKANU-KCJUWKMLSA-N -2 3 398.706 3.270 20 0 GGADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000797429293 978834048 /nfs/dbraw/zinc/83/40/48/978834048.db2.gz PFMBEHODLVKANU-LDYMZIIASA-N -2 3 398.706 3.270 20 0 GGADHL CC1(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCCCC1 ZINC000811681394 978855174 /nfs/dbraw/zinc/85/51/74/978855174.db2.gz DVHHHIHPCNLJDP-UHFFFAOYSA-N -2 3 396.328 3.458 20 0 GGADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1c(Cl)cccc1Cl ZINC001592716401 979216377 /nfs/dbraw/zinc/21/63/77/979216377.db2.gz VDHAUAPLZUGQCY-QMMMGPOBSA-N -2 3 378.233 3.367 20 0 GGADHL C[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)c1ccc(F)cc1 ZINC001592722829 979227563 /nfs/dbraw/zinc/22/75/63/979227563.db2.gz LSPZAPNTHOYJIA-SECBINFHSA-N -2 3 389.807 3.398 20 0 GGADHL C[C@H](Cc1c(Cl)cccc1Cl)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001592832138 979562311 /nfs/dbraw/zinc/56/23/11/979562311.db2.gz LWHHXKALYPUFGR-MRVPVSSYSA-N -2 3 378.233 3.194 20 0 GGADHL C[C@@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001592838352 979587808 /nfs/dbraw/zinc/58/78/08/979587808.db2.gz BQXSKDURANBDCD-QMMMGPOBSA-N -2 3 378.233 3.194 20 0 GGADHL CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001595213376 980006395 /nfs/dbraw/zinc/00/63/95/980006395.db2.gz QBSZPKCELPCGIE-LBPRGKRZSA-N -2 3 385.844 3.477 20 0 GGADHL C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001592990816 980182726 /nfs/dbraw/zinc/18/27/26/980182726.db2.gz SNXKIAUGWJHVDN-JTQLQIEISA-N -2 3 385.313 3.397 20 0 GGADHL CCC1CCC([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)(C(=O)[O-])CC1 ZINC001595431213 981052040 /nfs/dbraw/zinc/05/20/40/981052040.db2.gz MINMMDARBVHYMI-UHFFFAOYSA-N -2 3 381.281 3.090 20 0 GGADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000908596032 981327742 /nfs/dbraw/zinc/32/77/42/981327742.db2.gz WPSREBXFVQBJOR-QGZVFWFLSA-N -2 3 375.396 3.195 20 0 GGADHL CCC[C@](C)([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC001595566782 981463679 /nfs/dbraw/zinc/46/36/79/981463679.db2.gz VRMSBAVPHQNPJL-LBPRGKRZSA-N -2 3 384.679 3.024 20 0 GGADHL CCC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC001595566819 981464167 /nfs/dbraw/zinc/46/41/67/981464167.db2.gz XAXMERXEIMGCDM-LBPRGKRZSA-N -2 3 384.679 3.024 20 0 GGADHL CCCC[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC001595635051 981898104 /nfs/dbraw/zinc/89/81/04/981898104.db2.gz VDGJWYWTRZGWRN-MOPGFXCFSA-N -2 3 398.459 3.013 20 0 GGADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)c1nccs1 ZINC001594853200 982109023 /nfs/dbraw/zinc/10/90/23/982109023.db2.gz LESKZBUYGJOUPA-CQSZACIVSA-N -2 3 392.861 3.238 20 0 GGADHL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-])C(F)(F)F ZINC001594919466 982456331 /nfs/dbraw/zinc/45/63/31/982456331.db2.gz AMGVECKUWZCZRX-OTYXRUKQSA-N -2 3 390.383 3.188 20 0 GGADHL O=C([O-])C12CCC(C(=O)NCc3ccc([O-])c(Br)c3)(CC1)CC2 ZINC000911594912 982526373 /nfs/dbraw/zinc/52/63/73/982526373.db2.gz JWYIMCYSKXCEGN-UHFFFAOYSA-N -2 3 382.254 3.196 20 0 GGADHL CCCCOc1ccc(C(=O)N2CCC(c3cc(C(=O)[O-])on3)CC2)c([O-])c1 ZINC001595774200 982528531 /nfs/dbraw/zinc/52/85/31/982528531.db2.gz KYQBJAKZRUEGFL-UHFFFAOYSA-N -2 3 388.420 3.277 20 0 GGADHL CCCCOc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c([O-])c1 ZINC001595776899 982545648 /nfs/dbraw/zinc/54/56/48/982545648.db2.gz MJCZBHHVXAJFSR-KRWDZBQOSA-N -2 3 375.396 3.308 20 0 GGADHL CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001594934531 982579781 /nfs/dbraw/zinc/57/97/81/982579781.db2.gz KYBCCHAUKKEBAL-BDAKNGLRSA-N -2 3 396.278 3.389 20 0 GGADHL CCCCc1nc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c(C(=O)OCC)[n-]1 ZINC001595798275 982609723 /nfs/dbraw/zinc/60/97/23/982609723.db2.gz BDYIPOFXWUENQI-UHFFFAOYSA-N -2 3 387.436 3.199 20 0 GGADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC001588661520 983786675 /nfs/dbraw/zinc/78/66/75/983786675.db2.gz LMQGRYQIZSTPHB-HNNXBMFYSA-N -2 3 388.807 3.116 20 0 GGADHL CCOC(=O)[C@H](Sc1nc2nc(C)cc(C(=O)[O-])c2c(=O)[n-]1)c1ccccc1 ZINC001596545065 984403320 /nfs/dbraw/zinc/40/33/20/984403320.db2.gz WGAJSPZOXQTPSQ-CQSZACIVSA-N -2 3 399.428 3.134 20 0 GGADHL CCOC(=O)c1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])[n-]n1 ZINC001596709832 984920532 /nfs/dbraw/zinc/92/05/32/984920532.db2.gz JILWCYFNBGCNPO-UHFFFAOYSA-N -2 3 379.372 3.204 20 0 GGADHL CCOC(=O)c1cc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])n[n-]1 ZINC001596709832 984920538 /nfs/dbraw/zinc/92/05/38/984920538.db2.gz JILWCYFNBGCNPO-UHFFFAOYSA-N -2 3 379.372 3.204 20 0 GGADHL C[C@H]1CC[C@@]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)(C(=O)[O-])CC1 ZINC001599909540 984967033 /nfs/dbraw/zinc/96/70/33/984967033.db2.gz QGRAXAQTDSHSOM-KMHCFJFGSA-N -2 3 383.363 3.156 20 0 GGADHL C[C@H]1CC[C@@]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)(C(=O)[O-])CC1 ZINC001599909725 984969734 /nfs/dbraw/zinc/96/97/34/984969734.db2.gz UGLWQTXAQGUBGE-QASKLWRZSA-N -2 3 380.491 3.122 20 0 GGADHL CCOC(=O)c1ncc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])[n-]1 ZINC001596750757 985100060 /nfs/dbraw/zinc/10/00/60/985100060.db2.gz VHXYXXIKMXEHTK-UHFFFAOYSA-N -2 3 379.372 3.204 20 0 GGADHL CCOC(=O)c1nc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])c[n-]1 ZINC001596750757 985100068 /nfs/dbraw/zinc/10/00/68/985100068.db2.gz VHXYXXIKMXEHTK-UHFFFAOYSA-N -2 3 379.372 3.204 20 0 GGADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(Cc3ccccc3C(=O)[O-])CC2)c1 ZINC001589199611 985636232 /nfs/dbraw/zinc/63/62/32/985636232.db2.gz VBHSMIYUBACEAT-UHFFFAOYSA-N -2 3 396.443 3.144 20 0 GGADHL CC(=O)c1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)cc1[O-] ZINC001589273406 985974710 /nfs/dbraw/zinc/97/47/10/985974710.db2.gz FERVNVXTWLZEPN-UHFFFAOYSA-N -2 3 395.333 3.341 20 0 GGADHL CC(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc1[O-] ZINC001589276235 985988816 /nfs/dbraw/zinc/98/88/16/985988816.db2.gz SLNGSZCOLNWUDK-HNNXBMFYSA-N -2 3 381.306 3.169 20 0 GGADHL CCOc1cc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc(Cl)c1[O-] ZINC001597011552 986357908 /nfs/dbraw/zinc/35/79/08/986357908.db2.gz YFYYGEIPWZCRTJ-UHFFFAOYSA-N -2 3 375.768 3.271 20 0 GGADHL C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001594654439 986883937 /nfs/dbraw/zinc/88/39/37/986883937.db2.gz DZIOYUMRRYIVPI-MEBBXXQBSA-N -2 3 389.454 3.400 20 0 GGADHL C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001594654440 986884679 /nfs/dbraw/zinc/88/46/79/986884679.db2.gz DZIOYUMRRYIVPI-ZUZCIYMTSA-N -2 3 389.454 3.400 20 0 GGADHL CCSc1ccc(CC(=O)[N-]OCCCC(=O)[O-])c(Br)c1 ZINC001597273520 987330094 /nfs/dbraw/zinc/33/00/94/987330094.db2.gz ZLACLMFZQHABRK-UHFFFAOYSA-N -2 3 376.272 3.016 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-])C(F)(F)F ZINC001597350926 987492415 /nfs/dbraw/zinc/49/24/15/987492415.db2.gz JDLAUDFLNRIGPQ-VIFPVBQESA-N -2 3 379.278 3.023 20 0 GGADHL CC(C)(C(=O)[O-])c1csc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)n1 ZINC001589655672 987618015 /nfs/dbraw/zinc/61/80/15/987618015.db2.gz FMIMLXMHPOMSRQ-UHFFFAOYSA-N -2 3 399.428 3.348 20 0 GGADHL CC(C)(C(=O)[O-])n1cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])cn1 ZINC001589670014 987662185 /nfs/dbraw/zinc/66/21/85/987662185.db2.gz JUPZPLUJWHZZLG-UHFFFAOYSA-N -2 3 381.388 3.453 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3ccc(C(=O)[O-])cc3)c2)n1 ZINC001597421345 987740235 /nfs/dbraw/zinc/74/02/35/987740235.db2.gz KZCHGXPKJIVYDF-UHFFFAOYSA-N -2 3 377.400 3.291 20 0 GGADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc(Cl)cc1 ZINC001589756918 988068085 /nfs/dbraw/zinc/06/80/85/988068085.db2.gz HOYKKDGICZDNET-ZDUSSCGKSA-N -2 3 386.857 3.482 20 0 GGADHL CC(C)(C)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001589774106 988131218 /nfs/dbraw/zinc/13/12/18/988131218.db2.gz FOGOCDXHMMAWBK-UHFFFAOYSA-N -2 3 396.278 3.391 20 0 GGADHL CCc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)c1[O-] ZINC001597576219 988364345 /nfs/dbraw/zinc/36/43/45/988364345.db2.gz IUNRRRCTNWXJCV-SFHVURJKSA-N -2 3 396.443 3.286 20 0 GGADHL CCc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)c1[O-] ZINC001597576212 988364593 /nfs/dbraw/zinc/36/45/93/988364593.db2.gz IUNRRRCTNWXJCV-GOSISDBHSA-N -2 3 396.443 3.286 20 0 GGADHL CSc1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1C(=O)[O-] ZINC001599816878 988441864 /nfs/dbraw/zinc/44/18/64/988441864.db2.gz DFTJGIUTUOSGHX-UHFFFAOYSA-N -2 3 390.367 3.479 20 0 GGADHL CC(C)(C)OC(=O)[C@@H]1CN(Cc2cccc([O-])c2Cl)CC12CC(C(=O)[O-])C2 ZINC001589865486 988457884 /nfs/dbraw/zinc/45/78/84/988457884.db2.gz CCHZBRZQMRVLNM-DMAKZNTKSA-N -2 3 395.883 3.300 20 0 GGADHL CSc1ccc([O-])c(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)c1 ZINC001599819646 988490045 /nfs/dbraw/zinc/49/00/45/988490045.db2.gz AIFQMZPCGQACFM-UHFFFAOYSA-N -2 3 378.475 3.289 20 0 GGADHL CSc1ccc([O-])c(C(=O)N2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1 ZINC001599820392 988502879 /nfs/dbraw/zinc/50/28/79/988502879.db2.gz XHDIYWSCOIFPGU-CYBMUJFWSA-N -2 3 386.473 3.163 20 0 GGADHL CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)cs1 ZINC001597655735 988704657 /nfs/dbraw/zinc/70/46/57/988704657.db2.gz DQSVAKBDKOZLFV-ZETCQYMHSA-N -2 3 392.861 3.236 20 0 GGADHL C[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001599835043 988728702 /nfs/dbraw/zinc/72/87/02/988728702.db2.gz QHJGXCVERIGBOV-VIFPVBQESA-N -2 3 394.287 3.378 20 0 GGADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])o1 ZINC001597661751 988731443 /nfs/dbraw/zinc/73/14/43/988731443.db2.gz URMQDXCGDQOIQL-UHFFFAOYSA-N -2 3 393.248 3.029 20 0 GGADHL CCc1ncc(S(=O)(=O)[N-][C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC001597702387 988928381 /nfs/dbraw/zinc/92/83/81/988928381.db2.gz GLHOXKOZIDFCGA-OAHLLOKOSA-N -2 3 388.898 3.027 20 0 GGADHL C[C@@H]1C[C@H](C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)O[C@H]1C(=O)[O-] ZINC001599875824 989417709 /nfs/dbraw/zinc/41/77/09/989417709.db2.gz LRXGCNBSQQNJLD-IGGJQXEISA-N -2 3 398.440 3.486 20 0 GGADHL CCc1onc(C)c1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001597813833 989436978 /nfs/dbraw/zinc/43/69/78/989436978.db2.gz QNDBYGYZLLJTRH-UHFFFAOYSA-N -2 3 393.248 3.029 20 0 GGADHL CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])cc2[nH]1 ZINC001590545520 990182476 /nfs/dbraw/zinc/18/24/76/990182476.db2.gz IBTLRPMZJSAAMW-UHFFFAOYSA-N -2 3 391.424 3.499 20 0 GGADHL CN(C(=O)COC(=O)c1cc2sccc2c([O-])c1)c1ccccc1C(=O)[O-] ZINC001598028527 990241188 /nfs/dbraw/zinc/24/11/88/990241188.db2.gz GFFBBQVBDWWOEG-UHFFFAOYSA-N -2 3 385.397 3.125 20 0 GGADHL CN(C(=O)c1cnc(C2CC2)[n-]c1=O)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598098870 990464977 /nfs/dbraw/zinc/46/49/77/990464977.db2.gz YHOWAPLCTCZFNN-ZDUSSCGKSA-N -2 3 396.230 3.264 20 0 GGADHL CC(C)C(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC001590927741 990936870 /nfs/dbraw/zinc/93/68/70/990936870.db2.gz JWNFXBUMPJCWPM-MRXNPFEDSA-N -2 3 395.864 3.283 20 0 GGADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc(C(F)(F)F)cc1 ZINC001591033427 991348453 /nfs/dbraw/zinc/34/84/53/991348453.db2.gz ROPZPDISXULPMW-ZDUSSCGKSA-N -2 3 392.355 3.067 20 0 GGADHL COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(C(=O)[O-])c1 ZINC001599598860 993785783 /nfs/dbraw/zinc/78/57/83/993785783.db2.gz QRZQXPSLEHAYBI-UHFFFAOYSA-N -2 3 393.314 3.352 20 0 GGADHL COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cc(C(=O)[O-])cc2Cl)c1 ZINC001599607201 993902419 /nfs/dbraw/zinc/90/24/19/993902419.db2.gz VJBNAYIFDGANMH-UHFFFAOYSA-N -2 3 385.825 3.165 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)c1c(F)cccc1Cl ZINC001593326327 994876703 /nfs/dbraw/zinc/87/67/03/994876703.db2.gz KBRZTMDMHIBEDL-LURJTMIESA-N -2 3 382.196 3.463 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(c1ccccc1)c1ccccc1 ZINC001593327070 994885333 /nfs/dbraw/zinc/88/53/33/994885333.db2.gz UVQTWHYTXAGJKY-CQSZACIVSA-N -2 3 385.441 3.477 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[C@H](C)c1ccccc1C(F)(F)F ZINC001593327111 994885635 /nfs/dbraw/zinc/88/56/35/994885635.db2.gz VFYWPRUKAVVKKE-VHSXEESVSA-N -2 3 391.367 3.467 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001593327108 994885971 /nfs/dbraw/zinc/88/59/71/994885971.db2.gz VFYWPRUKAVVKKE-NXEZZACHSA-N -2 3 391.367 3.467 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ncc(C(=O)[O-])s1 ZINC001593330534 994894377 /nfs/dbraw/zinc/89/43/77/994894377.db2.gz JPFZTEYJFGIJDR-ZCFIWIBFSA-N -2 3 398.359 3.039 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1nc2ccccc2s1 ZINC001593333686 994906461 /nfs/dbraw/zinc/90/64/61/994906461.db2.gz FFZAHWZEFULAMZ-SECBINFHSA-N -2 3 380.422 3.173 20 0 GGADHL C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001593334063 994907288 /nfs/dbraw/zinc/90/72/88/994907288.db2.gz JGBNKTFKRULFCO-UWVGGRQHSA-N -2 3 391.367 3.467 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC001593337889 994927417 /nfs/dbraw/zinc/92/74/17/994927417.db2.gz YTSMAMXWIVMBFH-ZCFIWIBFSA-N -2 3 398.359 3.039 20 0 GGADHL CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001593903499 996774354 /nfs/dbraw/zinc/77/43/54/996774354.db2.gz CJZOGCZSTBZGTA-JTQLQIEISA-N -2 3 396.328 3.456 20 0 GGADHL CC1(C)CCc2onc(C[N-]S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)c2C1 ZINC001593924352 996846698 /nfs/dbraw/zinc/84/66/98/996846698.db2.gz FJUNUIRHVKDACV-UHFFFAOYSA-N -2 3 398.868 3.020 20 0 GGADHL COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC001599281441 996900127 /nfs/dbraw/zinc/90/01/27/996900127.db2.gz WVAOAGBYCDXFAU-UHFFFAOYSA-N -2 3 379.434 3.119 20 0 GGADHL COc1cc([C@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc2ccccc21 ZINC001599389411 997004912 /nfs/dbraw/zinc/00/49/12/997004912.db2.gz NVDKULMXBMKPOK-JTQLQIEISA-N -2 3 392.458 3.043 20 0 GGADHL COc1cc([C@@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc2ccccc21 ZINC001599389412 997005331 /nfs/dbraw/zinc/00/53/31/997005331.db2.gz NVDKULMXBMKPOK-SNVBAGLBSA-N -2 3 392.458 3.043 20 0 GGADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc(CCC(=O)[O-])c3)ccc2O1 ZINC001593965425 997107492 /nfs/dbraw/zinc/10/74/92/997107492.db2.gz XRBZOUOBFCAJLF-UHFFFAOYSA-N -2 3 375.446 3.218 20 0 GGADHL COc1ccc([C@@H]([N-]C(=O)C(F)(F)c2cccc(Cl)c2)C(=O)[O-])c(OC)c1 ZINC001599521641 997491540 /nfs/dbraw/zinc/49/15/40/997491540.db2.gz YNHBRPMRMZVWMV-OAHLLOKOSA-N -2 3 399.777 3.391 20 0 GGADHL COCC[C@@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-])c1ccco1 ZINC001599219613 997643179 /nfs/dbraw/zinc/64/31/79/997643179.db2.gz SCWNJGSQAZWZGD-GFCCVEGCSA-N -2 3 395.458 3.249 20 0 GGADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC001594053976 997780452 /nfs/dbraw/zinc/78/04/52/997780452.db2.gz YZTWGAKNUJXXOO-SFHVURJKSA-N -2 3 396.365 3.288 20 0 GGADHL COc1ccc(C2(C[N-]S(=O)(=O)c3cc(C(=O)[O-])co3)CCCCC2)cc1 ZINC001599538547 997789515 /nfs/dbraw/zinc/78/95/15/997789515.db2.gz MEWQIOAELTYMEK-UHFFFAOYSA-N -2 3 393.461 3.167 20 0 GGADHL C[C@]1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCCC[C@@H]1C(=O)[O-] ZINC001594062180 997859299 /nfs/dbraw/zinc/85/92/99/997859299.db2.gz UOLWWFXCBJEEIH-YGRLFVJLSA-N -2 3 383.363 3.156 20 0 GGADHL C[C@]1([N-]S(=O)(=O)c2csnc2-c2ccccc2)CCCC[C@H]1C(=O)[O-] ZINC001594066141 997877868 /nfs/dbraw/zinc/87/78/68/997877868.db2.gz QQUIDAHXWXGPLW-GUYCJALGSA-N -2 3 380.491 3.122 20 0 GGADHL C[C@]1([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCCC[C@H]1C(=O)[O-] ZINC001594066095 997878672 /nfs/dbraw/zinc/87/86/72/997878672.db2.gz PKPJZHVSKGSEHU-GUYCJALGSA-N -2 3 380.491 3.122 20 0 GGADHL CC1(c2ccccc2)CCC([N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC001594079918 997976303 /nfs/dbraw/zinc/97/63/03/997976303.db2.gz ZDERPISSLNLVPH-UHFFFAOYSA-N -2 3 380.491 3.020 20 0 GGADHL COc1cc(C(=O)N[C@@H](C[C@H]2CCCc3ccccc32)C(=O)[O-])cc(OC)c1[O-] ZINC001599353017 998128504 /nfs/dbraw/zinc/12/85/04/998128504.db2.gz FWHUHBBUZYXNKL-PBHICJAKSA-N -2 3 399.443 3.103 20 0 GGADHL COc1cc(C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])cc(OC)c1[O-] ZINC001599353019 998128653 /nfs/dbraw/zinc/12/86/53/998128653.db2.gz FWHUHBBUZYXNKL-WMLDXEAASA-N -2 3 399.443 3.103 20 0 GGADHL COc1cc(C(=O)N[C@@H](C[C@@H]2CCCc3ccccc32)C(=O)[O-])cc(OC)c1[O-] ZINC001599353020 998128846 /nfs/dbraw/zinc/12/88/46/998128846.db2.gz FWHUHBBUZYXNKL-YOEHRIQHSA-N -2 3 399.443 3.103 20 0 GGADHL COc1cc(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)cc(OC)c1[O-] ZINC001599353247 998132779 /nfs/dbraw/zinc/13/27/79/998132779.db2.gz QXFHAJYRLNEUHU-OAHLLOKOSA-N -2 3 379.453 3.343 20 0 GGADHL COc1cc(OC)nc(C(=O)[N-]c2c(-c3ccc(C)cc3)csc2C(=O)[O-])n1 ZINC001599455607 998182240 /nfs/dbraw/zinc/18/22/40/998182240.db2.gz ZHSKHUXJFRGYRO-UHFFFAOYSA-N -2 3 399.428 3.481 20 0 GGADHL COc1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)ccc1C(=O)[O-] ZINC001599459068 998239985 /nfs/dbraw/zinc/23/99/85/998239985.db2.gz GGRBUKCPEZKFRI-UHFFFAOYSA-N -2 3 397.359 3.008 20 0 GGADHL C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)o1 ZINC001594280017 999086358 /nfs/dbraw/zinc/08/63/58/999086358.db2.gz NTMNZNNXQLKOHS-PSASIEDQSA-N -2 3 387.816 3.372 20 0 GGADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C[C@H]1C ZINC001594326018 999252598 /nfs/dbraw/zinc/25/25/98/999252598.db2.gz AJLBAUSGURTMLV-HLTSFMKQSA-N -2 3 396.328 3.312 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)[C@@H]1CCC[C@@H](C)C1 ZINC001594356025 999343437 /nfs/dbraw/zinc/34/34/37/999343437.db2.gz PUEKWICOPKSLSW-KXUCPTDWSA-N -2 3 394.287 3.233 20 0 GGADHL C[C@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001594363509 999372145 /nfs/dbraw/zinc/37/21/45/999372145.db2.gz FWJIKEMWGXHJPO-VHSXEESVSA-N -2 3 394.287 3.235 20 0 GGADHL Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1Cl ZINC000013028095 210047405 /nfs/dbraw/zinc/04/74/05/210047405.db2.gz OXBWMMMMWDUUKM-UHFFFAOYSA-N -2 3 379.196 3.214 20 0 GGADHL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)cc1 ZINC000012891557 210024557 /nfs/dbraw/zinc/02/45/57/210024557.db2.gz JKKJFIGTHIZOKQ-ZZXKWVIFSA-N -2 3 395.820 3.010 20 0 GGADHL CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1F ZINC000012771803 210007043 /nfs/dbraw/zinc/00/70/43/210007043.db2.gz LAWPWZRNIANPKR-UHFFFAOYSA-N -2 3 394.449 3.151 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c(Cl)c1 ZINC000072313006 211088467 /nfs/dbraw/zinc/08/84/67/211088467.db2.gz AUKBIYYOBADEES-UHFFFAOYSA-N -2 3 381.837 3.497 20 0 GGADHL CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000450977687 450600753 /nfs/dbraw/zinc/60/07/53/450600753.db2.gz JJDAMCBAISJENQ-UHFFFAOYSA-N -2 3 396.896 3.257 20 0 GGADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1F ZINC000012758728 564270607 /nfs/dbraw/zinc/27/06/07/564270607.db2.gz GNKBHCBWDJSMOD-UHFFFAOYSA-N -2 3 379.287 3.223 20 0 GGADHL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000013059012 564273559 /nfs/dbraw/zinc/27/35/59/564273559.db2.gz OXFGRMJUFXIDMW-UHFFFAOYSA-N -2 3 375.324 3.013 20 0 GGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1C ZINC000013278697 564275345 /nfs/dbraw/zinc/27/53/45/564275345.db2.gz AXJZBJHNYLMOKO-UHFFFAOYSA-N -2 3 383.809 3.185 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCCCOc2ccc(Cl)cc2)c1 ZINC000013269294 564275531 /nfs/dbraw/zinc/27/55/31/564275531.db2.gz BRVYPGXNSUXQMU-UHFFFAOYSA-N -2 3 389.882 3.237 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c(F)c1 ZINC000013345970 564276448 /nfs/dbraw/zinc/27/64/48/564276448.db2.gz RPJULAAXAHIBIV-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000014097342 564279669 /nfs/dbraw/zinc/27/96/69/564279669.db2.gz VKPZVPIVFZLYDE-UHFFFAOYSA-N -2 3 375.324 3.393 20 0 GGADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2ccccc2SC2CCCC2)o1 ZINC000025267908 564336701 /nfs/dbraw/zinc/33/67/01/564336701.db2.gz LDUWWIGVDDSPQY-UHFFFAOYSA-N -2 3 380.491 3.475 20 0 GGADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000031665583 564390525 /nfs/dbraw/zinc/39/05/25/564390525.db2.gz NFRZZWHESTVBIG-UHFFFAOYSA-N -2 3 375.324 3.218 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000032585690 564402613 /nfs/dbraw/zinc/40/26/13/564402613.db2.gz XJVDDAZXQWQVGZ-UHFFFAOYSA-N -2 3 377.752 3.440 20 0 GGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000036833096 564419611 /nfs/dbraw/zinc/41/96/11/564419611.db2.gz JUDUMZSIXCGTNK-UHFFFAOYSA-N -2 3 382.507 3.156 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])sc1Br ZINC000123583588 564454160 /nfs/dbraw/zinc/45/41/60/564454160.db2.gz FETVMMFAEINNRM-WPRPVWTQSA-N -2 3 398.344 3.377 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)sc1Br ZINC000123584020 564454889 /nfs/dbraw/zinc/45/48/89/564454889.db2.gz MALVOMXIAFEISN-JTQLQIEISA-N -2 3 398.344 3.234 20 0 GGADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1F ZINC000123758280 564460377 /nfs/dbraw/zinc/46/03/77/564460377.db2.gz LKEBUSGSDOXDMJ-UHFFFAOYSA-N -2 3 386.470 3.005 20 0 GGADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1F ZINC000123768676 564461390 /nfs/dbraw/zinc/46/13/90/564461390.db2.gz BZMPZYIQQNHDSO-UHFFFAOYSA-N -2 3 386.470 3.005 20 0 GGADHL Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000126008461 564533786 /nfs/dbraw/zinc/53/37/86/564533786.db2.gz VKIGNTVFYVSJBQ-UHFFFAOYSA-N -2 3 399.266 3.087 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1Cl ZINC000048382640 564538124 /nfs/dbraw/zinc/53/81/24/564538124.db2.gz QPNLAHYCZVCXOU-UHFFFAOYSA-N -2 3 385.825 3.246 20 0 GGADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1cc2ccccc2o1 ZINC000127263247 564578980 /nfs/dbraw/zinc/57/89/80/564578980.db2.gz DEJQBAPHLAXYOR-UHFFFAOYSA-N -2 3 382.235 3.379 20 0 GGADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1cc(F)ccc1Cl ZINC000127276256 564579214 /nfs/dbraw/zinc/57/92/14/564579214.db2.gz YFPJUFFMEJSMJT-UHFFFAOYSA-N -2 3 394.649 3.426 20 0 GGADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1c(F)cc(F)cc1F ZINC000127268230 564579365 /nfs/dbraw/zinc/57/93/65/564579365.db2.gz ZLLZVUAUCQDWEI-UHFFFAOYSA-N -2 3 396.184 3.051 20 0 GGADHL Cc1nc(C)c(CC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c(=O)[n-]1 ZINC000127665347 564591603 /nfs/dbraw/zinc/59/16/03/564591603.db2.gz APFYSNQPAYIBDU-UHFFFAOYSA-N -2 3 376.627 3.234 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1Br ZINC000127907931 564601020 /nfs/dbraw/zinc/60/10/20/564601020.db2.gz DTEUUJHDJPBJPF-UHFFFAOYSA-N -2 3 376.203 3.103 20 0 GGADHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000129339311 564646854 /nfs/dbraw/zinc/64/68/54/564646854.db2.gz YRIZGAUAQMBEIO-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1Br ZINC000131156312 564703212 /nfs/dbraw/zinc/70/32/12/564703212.db2.gz ZPPGAQFYYCSPRM-UHFFFAOYSA-N -2 3 376.253 3.318 20 0 GGADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cccc([O-])c2F)c(F)c1Cl ZINC000131534990 564714268 /nfs/dbraw/zinc/71/42/68/564714268.db2.gz IVVNWUPVIWLLHD-UHFFFAOYSA-N -2 3 394.758 3.222 20 0 GGADHL COc1ccc(Br)c(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000131535606 564714723 /nfs/dbraw/zinc/71/47/23/564714723.db2.gz LFXXSZBKRRBBOG-UHFFFAOYSA-N -2 3 376.203 3.103 20 0 GGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cc(Br)c(F)cc1F ZINC000131521984 564714784 /nfs/dbraw/zinc/71/47/84/564714784.db2.gz CWPXVPMJJFDLCH-UHFFFAOYSA-N -2 3 382.157 3.373 20 0 GGADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2SC)ccc1[O-] ZINC000064374782 564728020 /nfs/dbraw/zinc/72/80/20/564728020.db2.gz JCPMOZWACOMOSF-UHFFFAOYSA-N -2 3 387.866 3.355 20 0 GGADHL Cc1c([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cccc1C(=O)[O-] ZINC000065844500 564750894 /nfs/dbraw/zinc/75/08/94/564750894.db2.gz DGONSXIYTMAMCG-UHFFFAOYSA-N -2 3 375.324 3.393 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1 ZINC000066585684 564770520 /nfs/dbraw/zinc/77/05/20/564770520.db2.gz ATQRVBIHFOYWGF-UHFFFAOYSA-N -2 3 377.809 3.025 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cs1 ZINC000070156455 564849167 /nfs/dbraw/zinc/84/91/67/564849167.db2.gz BTFVTMYHSCGVDA-UHFFFAOYSA-N -2 3 380.216 3.149 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2Br)cs1 ZINC000070156614 564849405 /nfs/dbraw/zinc/84/94/05/564849405.db2.gz VQRNVVMLWUNFFE-UHFFFAOYSA-N -2 3 380.216 3.149 20 0 GGADHL CCn1cc(S(=O)(=O)[N-]c2cccc(C)c2Br)cc1C(=O)[O-] ZINC000153669950 565005426 /nfs/dbraw/zinc/00/54/26/565005426.db2.gz RDALKMQHLVNORF-UHFFFAOYSA-N -2 3 387.255 3.078 20 0 GGADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)o1 ZINC000291866337 565082327 /nfs/dbraw/zinc/08/23/27/565082327.db2.gz GZRGYLVYAMZGJY-UHFFFAOYSA-N -2 3 393.248 3.029 20 0 GGADHL CC(C)Sc1nc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n[n-]1 ZINC000156630177 565097709 /nfs/dbraw/zinc/09/77/09/565097709.db2.gz ZIMPLWDBJMGKCX-UHFFFAOYSA-N -2 3 380.417 3.266 20 0 GGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cc(Br)cc2c1OCC2 ZINC000184528736 565141993 /nfs/dbraw/zinc/14/19/93/565141993.db2.gz KMLBTHRRIGMNBO-UHFFFAOYSA-N -2 3 388.214 3.030 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000185010366 565171373 /nfs/dbraw/zinc/17/13/73/565171373.db2.gz OBAIWRBASQIVMO-VIFPVBQESA-N -2 3 386.470 3.317 20 0 GGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)cs2)c1 ZINC000185006252 565172014 /nfs/dbraw/zinc/17/20/14/565172014.db2.gz WCMDNDDHCFHICF-UHFFFAOYSA-N -2 3 386.470 3.065 20 0 GGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)C2CC2)n1 ZINC000185064503 565174845 /nfs/dbraw/zinc/17/48/45/565174845.db2.gz LSPVQDUUBFDRNB-OAHLLOKOSA-N -2 3 380.491 3.196 20 0 GGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)C2CC2)n1 ZINC000185065465 565175302 /nfs/dbraw/zinc/17/53/02/565175302.db2.gz QGGGDEDUELRAGC-AWEZNQCLSA-N -2 3 384.454 3.027 20 0 GGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)C2CC2)n1 ZINC000185063253 565175542 /nfs/dbraw/zinc/17/55/42/565175542.db2.gz PFWJXKIUCPMJQT-OAHLLOKOSA-N -2 3 380.491 3.196 20 0 GGADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)C2CC2)s1 ZINC000185069102 565176131 /nfs/dbraw/zinc/17/61/31/565176131.db2.gz XJXXWCHJDLJWAG-CQSZACIVSA-N -2 3 384.454 3.027 20 0 GGADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C2CC2)s1 ZINC000185068946 565176228 /nfs/dbraw/zinc/17/62/28/565176228.db2.gz AAFVGTFZTMWDKP-ZDUSSCGKSA-N -2 3 386.882 3.233 20 0 GGADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C2CC2)s1 ZINC000185066736 565176279 /nfs/dbraw/zinc/17/62/79/565176279.db2.gz LWODRHYQMLFOLI-ZDUSSCGKSA-N -2 3 386.882 3.233 20 0 GGADHL O=S(=O)(Cc1ccccc1F)[N-]c1n[n-]c(SCc2ccccc2)n1 ZINC000186606600 565272591 /nfs/dbraw/zinc/27/25/91/565272591.db2.gz QDPVVCZAJCMFIT-UHFFFAOYSA-N -2 3 378.454 3.178 20 0 GGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2C)ccc1[O-] ZINC000162083742 565303465 /nfs/dbraw/zinc/30/34/65/565303465.db2.gz YFJTYNADIFNJBA-UHFFFAOYSA-N -2 3 399.266 3.222 20 0 GGADHL Cc1csc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)CCC2)n1 ZINC000273670928 565329945 /nfs/dbraw/zinc/32/99/45/565329945.db2.gz JJJLJXCWJPQHPE-UHFFFAOYSA-N -2 3 386.882 3.161 20 0 GGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Br)c2C)ccc1[O-] ZINC000163068785 565335961 /nfs/dbraw/zinc/33/59/61/565335961.db2.gz KRYWMGIAWLFLEI-UHFFFAOYSA-N -2 3 399.266 3.222 20 0 GGADHL CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000172559107 565491650 /nfs/dbraw/zinc/49/16/50/565491650.db2.gz PTXYJKOAVVARIN-UHFFFAOYSA-N -2 3 382.507 3.338 20 0 GGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)c1 ZINC000190073852 565506455 /nfs/dbraw/zinc/50/64/55/565506455.db2.gz VDNPTIKMRUWYBP-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)c(Cl)c1 ZINC000172897144 565510670 /nfs/dbraw/zinc/51/06/70/565510670.db2.gz VYSVYGSBHYPWQU-UHFFFAOYSA-N -2 3 388.898 3.129 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cc1C(=O)[O-] ZINC000388574916 565551984 /nfs/dbraw/zinc/55/19/84/565551984.db2.gz PFMIYSBUIKBRFA-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000389219494 565553376 /nfs/dbraw/zinc/55/33/76/565553376.db2.gz DYMQZROTFYAXBU-NXEZZACHSA-N -2 3 396.278 3.146 20 0 GGADHL Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000389827258 565554782 /nfs/dbraw/zinc/55/47/82/565554782.db2.gz SZTHDVRXEKZODL-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000391749409 565561412 /nfs/dbraw/zinc/56/14/12/565561412.db2.gz WNIAUXPVECAPBO-QMMMGPOBSA-N -2 3 384.679 3.024 20 0 GGADHL O=C([O-])[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000392422421 565563901 /nfs/dbraw/zinc/56/39/01/565563901.db2.gz SNNQYWPNGBMALQ-CQSZACIVSA-N -2 3 388.272 3.358 20 0 GGADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000392280385 565564775 /nfs/dbraw/zinc/56/47/75/565564775.db2.gz HMAFSYDIBNVHSO-UHFFFAOYSA-N -2 3 375.324 3.218 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000393136645 565568325 /nfs/dbraw/zinc/56/83/25/565568325.db2.gz OUMNEZQGIRAFTK-UHFFFAOYSA-N -2 3 375.324 3.393 20 0 GGADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000399480678 565578961 /nfs/dbraw/zinc/57/89/61/565578961.db2.gz XOGZFIGSRWSMEG-PRHODGIISA-N -2 3 398.706 3.126 20 0 GGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000314193484 565586496 /nfs/dbraw/zinc/58/64/96/565586496.db2.gz ZJZVKABHYQMZSG-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(Br)c1 ZINC000314365151 565586529 /nfs/dbraw/zinc/58/65/29/565586529.db2.gz NTUIOOWUEIHIGD-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1cccs1 ZINC000317995490 565595436 /nfs/dbraw/zinc/59/54/36/565595436.db2.gz GPWNZCHLQRZQAL-LLVKDONJSA-N -2 3 384.237 3.298 20 0 GGADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Br ZINC000318595304 565596334 /nfs/dbraw/zinc/59/63/34/565596334.db2.gz SMPANTAVXZNOGI-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Br)c(F)c1)CCC(=O)[O-] ZINC000318517743 565596398 /nfs/dbraw/zinc/59/63/98/565596398.db2.gz HPZGWQOSGYGSEK-UHFFFAOYSA-N -2 3 396.278 3.148 20 0 GGADHL Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)c1 ZINC000318628457 565596989 /nfs/dbraw/zinc/59/69/89/565596989.db2.gz YERXAMRRKJQJMT-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c(F)c1 ZINC000318812349 565597051 /nfs/dbraw/zinc/59/70/51/565597051.db2.gz YIKXXQLXKNBMBE-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(F)cc1Br ZINC000319077450 565597719 /nfs/dbraw/zinc/59/77/19/565597719.db2.gz KVBGCJOASSTTDM-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c1F ZINC000320156263 565600741 /nfs/dbraw/zinc/60/07/41/565600741.db2.gz MGKCEPIYXUSMRL-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000320456421 565602122 /nfs/dbraw/zinc/60/21/22/565602122.db2.gz DCBMLXCMKVTISE-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)cc1 ZINC000322890260 565611939 /nfs/dbraw/zinc/61/19/39/565611939.db2.gz MSNDFSCTWJFRSJ-UHFFFAOYSA-N -2 3 398.234 3.151 20 0 GGADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1C(=O)[O-] ZINC000323240301 565612484 /nfs/dbraw/zinc/61/24/84/565612484.db2.gz DFCZMPUMKPAPHP-UHFFFAOYSA-N -2 3 382.196 3.211 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1Cl ZINC000323209122 565613086 /nfs/dbraw/zinc/61/30/86/565613086.db2.gz MVJWJFYLCZHDJN-CYBMUJFWSA-N -2 3 378.208 3.237 20 0 GGADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H](C)Cc1cccs1 ZINC000324905236 565619737 /nfs/dbraw/zinc/61/97/37/565619737.db2.gz QQHCVHNGHCWZCP-SECBINFHSA-N -2 3 389.882 3.018 20 0 GGADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000325391766 565621149 /nfs/dbraw/zinc/62/11/49/565621149.db2.gz MTCRQQULXMCJOZ-VIFPVBQESA-N -2 3 387.807 3.384 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c(Cl)c1 ZINC000326557518 565625163 /nfs/dbraw/zinc/62/51/63/565625163.db2.gz VDGNVKSLGDDCHU-UHFFFAOYSA-N -2 3 390.200 3.221 20 0 GGADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000326608834 565625310 /nfs/dbraw/zinc/62/53/10/565625310.db2.gz NYSVUZATIVMNNQ-QMMMGPOBSA-N -2 3 399.696 3.043 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000327577388 565632284 /nfs/dbraw/zinc/63/22/84/565632284.db2.gz FSSGUTPMHIQHPS-UHFFFAOYSA-N -2 3 379.287 3.223 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1F ZINC000327850601 565633730 /nfs/dbraw/zinc/63/37/30/565633730.db2.gz RKKBBESHECTKMF-UHFFFAOYSA-N -2 3 379.287 3.223 20 0 GGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)ccc1[O-] ZINC000175688571 565717179 /nfs/dbraw/zinc/71/71/79/565717179.db2.gz KXISPDCIQRTEIM-UHFFFAOYSA-N -2 3 399.266 3.222 20 0 GGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)ccc1[O-] ZINC000175688058 565717389 /nfs/dbraw/zinc/71/73/89/565717389.db2.gz MXOHIVFVDJZWAH-UHFFFAOYSA-N -2 3 375.233 3.458 20 0 GGADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1csc2ccccc21)C(F)(F)F ZINC000285075669 565886760 /nfs/dbraw/zinc/88/67/60/565886760.db2.gz KUJNGOOTCCADAX-SECBINFHSA-N -2 3 381.397 3.223 20 0 GGADHL Cc1cc(Br)ccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000195503763 565889123 /nfs/dbraw/zinc/88/91/23/565889123.db2.gz BYYFSLTUIWQSKZ-QPJJXVBHSA-N -2 3 377.238 3.337 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)cs1 ZINC000414345623 565913975 /nfs/dbraw/zinc/91/39/75/565913975.db2.gz PAKCONOYHRJTLD-LBPRGKRZSA-N -2 3 393.408 3.461 20 0 GGADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000178593223 565928620 /nfs/dbraw/zinc/92/86/20/565928620.db2.gz YFKAUNQAWPRWTO-UHFFFAOYSA-N -2 3 386.470 3.085 20 0 GGADHL O=C(c1ccc(I)c([O-])c1)N1CCCc2cccc([O-])c21 ZINC000230904364 565931528 /nfs/dbraw/zinc/93/15/28/565931528.db2.gz FKCJLZJVEROVOH-UHFFFAOYSA-N -2 3 395.196 3.295 20 0 GGADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000236427388 565938729 /nfs/dbraw/zinc/93/87/29/565938729.db2.gz COJMQEULAAKMTF-UHFFFAOYSA-N -2 3 396.690 3.024 20 0 GGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000417431687 566150036 /nfs/dbraw/zinc/15/00/36/566150036.db2.gz RMOIMCGPWLRGRY-UHFFFAOYSA-N -2 3 384.679 3.026 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]C3CCC(C(=O)[O-])CC3)s2)cs1 ZINC000262352182 566150635 /nfs/dbraw/zinc/15/06/35/566150635.db2.gz BFSSIPQRXCLEGS-UHFFFAOYSA-N -2 3 386.520 3.102 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)cs1 ZINC000556215570 566276659 /nfs/dbraw/zinc/27/66/59/566276659.db2.gz ONVNPUOQKFGMFK-UHFFFAOYSA-N -2 3 383.344 3.083 20 0 GGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000575803503 566286852 /nfs/dbraw/zinc/28/68/52/566286852.db2.gz PQFLBZZWEQAUEL-WDEREUQCSA-N -2 3 383.363 3.232 20 0 GGADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCCC1 ZINC000576059320 566311520 /nfs/dbraw/zinc/31/15/20/566311520.db2.gz DRFAFLZUOPPTIQ-UHFFFAOYSA-N -2 3 396.690 3.026 20 0 GGADHL O=C(Nc1cccc([O-])c1F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000556554144 566312839 /nfs/dbraw/zinc/31/28/39/566312839.db2.gz BBKGWWKHLVIBMP-UHFFFAOYSA-N -2 3 377.169 3.388 20 0 GGADHL COC(=O)c1cccc2nc(NC(=O)c3cccc(Br)c3[O-])[n-]c21 ZINC000535730793 566321941 /nfs/dbraw/zinc/32/19/41/566321941.db2.gz ZHIYQPYEIGZEIP-UHFFFAOYSA-N -2 3 390.193 3.070 20 0 GGADHL COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(Br)c3[O-])nc21 ZINC000535730793 566321947 /nfs/dbraw/zinc/32/19/47/566321947.db2.gz ZHIYQPYEIGZEIP-UHFFFAOYSA-N -2 3 390.193 3.070 20 0 GGADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C(F)(F)F ZINC000556773006 566329888 /nfs/dbraw/zinc/32/98/88/566329888.db2.gz SZGDXGUECGFCFP-ZETCQYMHSA-N -2 3 394.198 3.066 20 0 GGADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000556774657 566329702 /nfs/dbraw/zinc/32/97/02/566329702.db2.gz DNJGFQPXZWISQW-UHFFFAOYSA-N -2 3 383.731 3.129 20 0 GGADHL CC[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000576276303 566331317 /nfs/dbraw/zinc/33/13/17/566331317.db2.gz DMYGYMVDYPHZND-SNVBAGLBSA-N -2 3 394.396 3.290 20 0 GGADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000421152618 566349303 /nfs/dbraw/zinc/34/93/03/566349303.db2.gz KXOFVUMTOYDCSJ-NSHDSACASA-N -2 3 383.388 3.206 20 0 GGADHL CCOc1c(Br)cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OC ZINC000670369964 566356725 /nfs/dbraw/zinc/35/67/25/566356725.db2.gz NSVYKCCIGLGVPX-SNAWJCMRSA-N -2 3 395.209 3.221 20 0 GGADHL CCOc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc(Br)c1OC ZINC000670369923 566357030 /nfs/dbraw/zinc/35/70/30/566357030.db2.gz KRQIARLGMRSJLF-PLNGDYQASA-N -2 3 395.209 3.221 20 0 GGADHL COc1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc(OC)c1[O-] ZINC000483199205 566364348 /nfs/dbraw/zinc/36/43/48/566364348.db2.gz QBTQNVCGHWXLDF-UHFFFAOYSA-N -2 3 382.210 3.438 20 0 GGADHL O=C([N-]c1n[n-]c(-c2ccccn2)n1)c1c(F)cc(Br)cc1F ZINC000446757455 566366687 /nfs/dbraw/zinc/36/66/87/566366687.db2.gz UJMIWQGUTKPCAU-UHFFFAOYSA-N -2 3 380.152 3.160 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)c(F)c1 ZINC000536496454 566377196 /nfs/dbraw/zinc/37/71/96/566377196.db2.gz GSFYSLKUWCQORM-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CN(C)c1nc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)cc(=O)[n-]1 ZINC000463316795 566399561 /nfs/dbraw/zinc/39/95/61/566399561.db2.gz LPBGZXMINLZJMP-UHFFFAOYSA-N -2 3 377.615 3.166 20 0 GGADHL O=C([O-])[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000577062015 566401364 /nfs/dbraw/zinc/40/13/64/566401364.db2.gz CNZAXEXFVBLWRA-DTWKUNHWSA-N -2 3 396.690 3.024 20 0 GGADHL COc1ccc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)[n-]c(=O)c2c1 ZINC000671192478 566408403 /nfs/dbraw/zinc/40/84/03/566408403.db2.gz OSAJQKUTMYATEH-UHFFFAOYSA-N -2 3 398.220 3.146 20 0 GGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000577213589 566413981 /nfs/dbraw/zinc/41/39/81/566413981.db2.gz SNXDLIJEFOKIGU-UWVGGRQHSA-N -2 3 399.843 3.499 20 0 GGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000577213590 566414009 /nfs/dbraw/zinc/41/40/09/566414009.db2.gz SNXDLIJEFOKIGU-VHSXEESVSA-N -2 3 399.843 3.499 20 0 GGADHL CSc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000463519488 566415792 /nfs/dbraw/zinc/41/57/92/566415792.db2.gz MWFWFJUWNHERND-UHFFFAOYSA-N -2 3 381.870 3.043 20 0 GGADHL CSc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000463519488 566415798 /nfs/dbraw/zinc/41/57/98/566415798.db2.gz MWFWFJUWNHERND-UHFFFAOYSA-N -2 3 381.870 3.043 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1CC(=O)[O-] ZINC000537035881 566419802 /nfs/dbraw/zinc/41/98/02/566419802.db2.gz BGVHADNQMVFXMZ-UHFFFAOYSA-N -2 3 390.244 3.430 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)c1F ZINC000537196818 566430217 /nfs/dbraw/zinc/43/02/17/566430217.db2.gz ROWHBXNEIXLOAM-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c(F)c1 ZINC000447789667 566430743 /nfs/dbraw/zinc/43/07/43/566430743.db2.gz SUCZGUSJVDHLAA-UHFFFAOYSA-N -2 3 379.287 3.065 20 0 GGADHL Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000484503633 566432704 /nfs/dbraw/zinc/43/27/04/566432704.db2.gz PPZIHVVUSWXOQW-UHFFFAOYSA-N -2 3 398.278 3.494 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c(F)c1 ZINC000484541211 566435789 /nfs/dbraw/zinc/43/57/89/566435789.db2.gz ONCRYQWUPHOQGD-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000484547776 566435941 /nfs/dbraw/zinc/43/59/41/566435941.db2.gz SZRWSXNDZVZTIX-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCC[C@H](C(=O)[O-])C3)s2)cs1 ZINC000577607377 566449834 /nfs/dbraw/zinc/44/98/34/566449834.db2.gz MQSLKHHTPKWECP-QWRGUYRKSA-N -2 3 386.520 3.102 20 0 GGADHL CCSc1n[n-]c(=NCc2ccc(OC)c([O-])c2Br)s1 ZINC000447956411 566449984 /nfs/dbraw/zinc/44/99/84/566449984.db2.gz TXOLTJRYPFJFBL-UHFFFAOYSA-N -2 3 376.301 3.161 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCC[C@@H](C(=O)[O-])C3)s2)cs1 ZINC000577607375 566450049 /nfs/dbraw/zinc/45/00/49/566450049.db2.gz MQSLKHHTPKWECP-GHMZBOCLSA-N -2 3 386.520 3.102 20 0 GGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650386736 566451183 /nfs/dbraw/zinc/45/11/83/566451183.db2.gz JBFVIMYZOWMVSU-UHFFFAOYSA-N -2 3 389.779 3.162 20 0 GGADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650413212 566452666 /nfs/dbraw/zinc/45/26/66/566452666.db2.gz VLMDYDSVCOHECA-QMMMGPOBSA-N -2 3 389.779 3.160 20 0 GGADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650408385 566452865 /nfs/dbraw/zinc/45/28/65/566452865.db2.gz ZQAQWZCDGGRLIR-VIFPVBQESA-N -2 3 389.779 3.016 20 0 GGADHL O=C([O-])CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000484849337 566460198 /nfs/dbraw/zinc/46/01/98/566460198.db2.gz KPPHXQUPNDMHIX-OAHLLOKOSA-N -2 3 385.844 3.234 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c(Cl)c1 ZINC000558263992 566460936 /nfs/dbraw/zinc/46/09/36/566460936.db2.gz WKXOBDFMBIVVAZ-UHFFFAOYSA-N -2 3 377.752 3.126 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC000485056141 566471652 /nfs/dbraw/zinc/47/16/52/566471652.db2.gz OUTAGBRMDQSMOV-SNVBAGLBSA-N -2 3 398.344 3.377 20 0 GGADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000485084370 566473500 /nfs/dbraw/zinc/47/35/00/566473500.db2.gz HSRZEVKFPUPSIA-NSHDSACASA-N -2 3 396.278 3.146 20 0 GGADHL COCc1cc(Cl)cc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c1 ZINC000558586508 566490490 /nfs/dbraw/zinc/49/04/90/566490490.db2.gz LMMWNSNPRUYPPX-UHFFFAOYSA-N -2 3 387.816 3.433 20 0 GGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000485383548 566492505 /nfs/dbraw/zinc/49/25/05/566492505.db2.gz QGAGJHSFJWRJPQ-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL O=C([O-])[C@@H](CCC[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1ccccc1 ZINC000558734913 566503869 /nfs/dbraw/zinc/50/38/69/566503869.db2.gz BIEBSFOGMWSTCP-ZDUSSCGKSA-N -2 3 387.910 3.404 20 0 GGADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)cc1Cl ZINC000672775043 566504618 /nfs/dbraw/zinc/50/46/18/566504618.db2.gz LXNDNOCJAJTCQD-ZDUSSCGKSA-N -2 3 397.827 3.050 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1 ZINC000538308334 566505386 /nfs/dbraw/zinc/50/53/86/566505386.db2.gz RZWNUGRABBDHEJ-UHFFFAOYSA-N -2 3 376.203 3.103 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)c1F ZINC000538299480 566505616 /nfs/dbraw/zinc/50/56/16/566505616.db2.gz XFHDHXISSOMKSG-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(Cl)ccc3C(=O)[O-])CCC2)n1 ZINC000578354000 566513811 /nfs/dbraw/zinc/51/38/11/566513811.db2.gz FUYBOOADSUOVTJ-UHFFFAOYSA-N -2 3 386.882 3.161 20 0 GGADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000559076054 566524669 /nfs/dbraw/zinc/52/46/69/566524669.db2.gz ZYSSQLLOTGGKCP-VIFPVBQESA-N -2 3 398.706 3.270 20 0 GGADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl)C(=O)[O-] ZINC000424372586 566531140 /nfs/dbraw/zinc/53/11/40/566531140.db2.gz WUTHMUVXXHUNEU-UHFFFAOYSA-N -2 3 384.281 3.171 20 0 GGADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000578754317 566551348 /nfs/dbraw/zinc/55/13/48/566551348.db2.gz YIKSGJUCYSKKET-PELKAZGASA-N -2 3 398.706 3.126 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(C)c1C(=O)[O-] ZINC000512739206 566554408 /nfs/dbraw/zinc/55/44/08/566554408.db2.gz RSTUECCYDMRWNI-UHFFFAOYSA-N -3 3 383.809 3.154 20 0 GGADHL O=C([O-])COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1Br ZINC000486075129 566554625 /nfs/dbraw/zinc/55/46/25/566554625.db2.gz LSXUIWWSNOSKRK-KTAJNNJTSA-N -2 3 391.221 3.456 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(C)c1C(=O)[O-] ZINC000512757756 566555429 /nfs/dbraw/zinc/55/54/29/566555429.db2.gz QDAOBJMBHNNYGM-UHFFFAOYSA-N -3 3 383.809 3.154 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]C3(C(=O)[O-])CCCCC3)s2)cs1 ZINC000559921892 566576855 /nfs/dbraw/zinc/57/68/55/566576855.db2.gz NAMCUKNLJZLUFJ-UHFFFAOYSA-N -2 3 386.520 3.246 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1CC(=O)[O-] ZINC000539400014 566580350 /nfs/dbraw/zinc/58/03/50/566580350.db2.gz QTHNHLQWIOCZDY-UHFFFAOYSA-N -2 3 381.475 3.153 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c(F)cc1Br ZINC000579210929 566589554 /nfs/dbraw/zinc/58/95/54/566589554.db2.gz QSVUGGRMTDREJK-JTQLQIEISA-N -2 3 396.278 3.208 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])c(F)cc1Br ZINC000579210930 566589879 /nfs/dbraw/zinc/58/98/79/566589879.db2.gz QSVUGGRMTDREJK-SNVBAGLBSA-N -2 3 396.278 3.208 20 0 GGADHL CC(C)(C)CC[C@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000560079079 566596355 /nfs/dbraw/zinc/59/63/55/566596355.db2.gz XMMSNFRCWAGPQY-AWEZNQCLSA-N -2 3 382.404 3.048 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)ccc1C(=O)[O-] ZINC000605495878 566609635 /nfs/dbraw/zinc/60/96/35/566609635.db2.gz SBUOEPNMRSIDSN-SNVBAGLBSA-N -2 3 381.837 3.471 20 0 GGADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c(C(=O)[O-])c3)cc(Cl)c2O1 ZINC000605495975 566610487 /nfs/dbraw/zinc/61/04/87/566610487.db2.gz HQKHVHXWBQDRHZ-QMMMGPOBSA-N -2 3 385.800 3.302 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000605496017 566610591 /nfs/dbraw/zinc/61/05/91/566610591.db2.gz IROWGXOBYWUKDG-JTQLQIEISA-N -2 3 381.837 3.471 20 0 GGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCC1 ZINC000560416934 566623998 /nfs/dbraw/zinc/62/39/98/566623998.db2.gz UELUOWXPLSOWSB-UHFFFAOYSA-N -2 3 385.791 3.282 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC(C)(C)C2)c(Cl)c1Cl ZINC000560421387 566624030 /nfs/dbraw/zinc/62/40/30/566624030.db2.gz JWQMTPVGFCXFKJ-HNNXBMFYSA-N -2 3 396.292 3.314 20 0 GGADHL CCC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000579661282 566627019 /nfs/dbraw/zinc/62/70/19/566627019.db2.gz QTECFKQVIIXQAC-ZDUSSCGKSA-N -2 3 389.901 3.298 20 0 GGADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-] ZINC000629295483 566638686 /nfs/dbraw/zinc/63/86/86/566638686.db2.gz PXWQNJWKFOXVEH-SNVBAGLBSA-N -2 3 396.278 3.208 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1CC(=O)[O-] ZINC000540295901 566642769 /nfs/dbraw/zinc/64/27/69/566642769.db2.gz TUSYOTSAQQUTEF-UHFFFAOYSA-N -2 3 391.779 3.055 20 0 GGADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000579922216 566650671 /nfs/dbraw/zinc/65/06/71/566650671.db2.gz CLTJVIRJLFYYIX-ZJUUUORDSA-N -2 3 396.328 3.213 20 0 GGADHL COc1ccc([O-])c(C(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)c1 ZINC000540671955 566665575 /nfs/dbraw/zinc/66/55/75/566665575.db2.gz CFGSWZKFMZGATK-CQSZACIVSA-N -2 3 394.221 3.109 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000514724627 566665740 /nfs/dbraw/zinc/66/57/40/566665740.db2.gz GFTPANWHTFYKTE-VIFPVBQESA-N -2 3 394.396 3.290 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653494659 566671810 /nfs/dbraw/zinc/67/18/10/566671810.db2.gz JESQGWXNXOLBQU-LPEHRKFASA-N -2 3 380.293 3.407 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653494476 566672479 /nfs/dbraw/zinc/67/24/79/566672479.db2.gz ALEJRKOGOWIMFK-ZMLRMANQSA-N -2 3 379.400 3.119 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653494530 566672701 /nfs/dbraw/zinc/67/27/01/566672701.db2.gz CVASIXBRNIGCNX-DVVUODLYSA-N -2 3 380.293 3.407 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000580638461 566710438 /nfs/dbraw/zinc/71/04/38/566710438.db2.gz YHILJSWPIDLLMK-MEDUHNTESA-N -2 3 383.853 3.089 20 0 GGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C)c1c(C)noc1C ZINC000580772076 566721234 /nfs/dbraw/zinc/72/12/34/566721234.db2.gz UBFXNWWXHRELIG-CYBMUJFWSA-N -2 3 386.857 3.381 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])s1 ZINC000515575077 566722313 /nfs/dbraw/zinc/72/23/13/566722313.db2.gz ZJINQCYMUOPHMT-GWCFXTLKSA-N -2 3 396.328 3.131 20 0 GGADHL CCc1nc(CNCc2cc(Br)c([O-])c(OC)c2)ccc1C(=O)[O-] ZINC000426665288 566722475 /nfs/dbraw/zinc/72/24/75/566722475.db2.gz JYVCLWIXOLFMTO-UHFFFAOYSA-N -2 3 395.253 3.109 20 0 GGADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2C)c(F)c1 ZINC000450954854 566723888 /nfs/dbraw/zinc/72/38/88/566723888.db2.gz DJBCAGYBPHWQKY-UHFFFAOYSA-N -2 3 386.470 3.087 20 0 GGADHL CSc1nc([N-]C(=O)c2coc(-c3ccc(Br)cc3F)n2)n[n-]1 ZINC000488432970 566726998 /nfs/dbraw/zinc/72/69/98/566726998.db2.gz UWKSYTCRYSQKJB-UHFFFAOYSA-N -2 3 398.217 3.336 20 0 GGADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)CC(=O)[O-] ZINC000541909958 566759843 /nfs/dbraw/zinc/75/98/43/566759843.db2.gz ICCCVLDIVBMVQV-SECBINFHSA-N -2 3 396.278 3.004 20 0 GGADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000581249300 566760548 /nfs/dbraw/zinc/76/05/48/566760548.db2.gz URFVHBGYRHUJJS-GFCCVEGCSA-N -2 3 392.861 3.047 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC1(Sc2ccccc2)CC1 ZINC000581427081 566777176 /nfs/dbraw/zinc/77/71/76/566777176.db2.gz BHJJXNADWMNONG-UHFFFAOYSA-N -2 3 399.515 3.058 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C(C)(C)c1cccc(Cl)c1 ZINC000581486499 566781437 /nfs/dbraw/zinc/78/14/37/566781437.db2.gz PFHGWTCKZBSRBZ-UHFFFAOYSA-N -2 3 389.882 3.322 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)c1 ZINC000678824021 566819606 /nfs/dbraw/zinc/81/96/06/566819606.db2.gz UUWJYZDKZXDWPE-UHFFFAOYSA-N -2 3 379.825 3.245 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)n[nH]2)c1 ZINC000678824021 566819607 /nfs/dbraw/zinc/81/96/07/566819607.db2.gz UUWJYZDKZXDWPE-UHFFFAOYSA-N -2 3 379.825 3.245 20 0 GGADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000469895444 566825624 /nfs/dbraw/zinc/82/56/24/566825624.db2.gz BTXKRZFZEWQGAM-CYBMUJFWSA-N -2 3 375.874 3.051 20 0 GGADHL COc1ccc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000678975941 566827938 /nfs/dbraw/zinc/82/79/38/566827938.db2.gz RCBPOVTUGDDURU-AWEZNQCLSA-N -2 3 394.221 3.109 20 0 GGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000542841558 566829936 /nfs/dbraw/zinc/82/99/36/566829936.db2.gz MXSABIBABOQEPD-NXEZZACHSA-N -2 3 396.278 3.146 20 0 GGADHL COc1ccc(Br)cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000470238792 566859247 /nfs/dbraw/zinc/85/92/47/566859247.db2.gz IFHWODBOIMPJKU-CLTKARDFSA-N -2 3 393.237 3.449 20 0 GGADHL COc1ccc(Br)cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000470262434 566861353 /nfs/dbraw/zinc/86/13/53/566861353.db2.gz APZUXXNZPOWEDB-ZZXKWVIFSA-N -2 3 379.210 3.059 20 0 GGADHL COc1ccc(Br)cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000470262433 566862347 /nfs/dbraw/zinc/86/23/47/566862347.db2.gz APZUXXNZPOWEDB-UTCJRWHESA-N -2 3 379.210 3.059 20 0 GGADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1Br ZINC000470266441 566862408 /nfs/dbraw/zinc/86/24/08/566862408.db2.gz YZCKQJUCKRJYII-GQCTYLIASA-N -2 3 379.210 3.059 20 0 GGADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)C(=O)[O-] ZINC000490846930 566882733 /nfs/dbraw/zinc/88/27/33/566882733.db2.gz HUTNQSKGUHJBBH-CYBMUJFWSA-N -2 3 375.874 3.051 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)c(Cl)c1Cl ZINC000680361487 566904337 /nfs/dbraw/zinc/90/43/37/566904337.db2.gz JNIVONLOGLXTAL-UHFFFAOYSA-N -2 3 390.244 3.179 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1c1ccccc1 ZINC000518971931 566913539 /nfs/dbraw/zinc/91/35/39/566913539.db2.gz BOSCEZRNKXIAFI-QWHCGFSZSA-N -2 3 381.475 3.070 20 0 GGADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1)C1CCCCC1 ZINC000656618794 566924757 /nfs/dbraw/zinc/92/47/57/566924757.db2.gz HPFPIDLEGCDOOD-OAHLLOKOSA-N -2 3 375.874 3.375 20 0 GGADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000583297207 566937127 /nfs/dbraw/zinc/93/71/27/566937127.db2.gz WILAGFYXKQAFLH-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)cc2F)c1 ZINC000493601766 566950784 /nfs/dbraw/zinc/95/07/84/566950784.db2.gz DKULEISBDDJZCL-UHFFFAOYSA-N -2 3 375.780 3.103 20 0 GGADHL COC[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000519650509 566955480 /nfs/dbraw/zinc/95/54/80/566955480.db2.gz YAUAFZDQBDHJII-LBPRGKRZSA-N -2 3 389.882 3.074 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c(C)c1C(=O)[O-] ZINC000544640898 566976624 /nfs/dbraw/zinc/97/66/24/566976624.db2.gz MPFWPEBUBXOPSU-UHFFFAOYSA-N -3 3 383.809 3.154 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1cccs1 ZINC000681556436 566982425 /nfs/dbraw/zinc/98/24/25/566982425.db2.gz AZYVZHBHARUDHG-JTQLQIEISA-N -2 3 397.371 3.400 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cc(F)ccc1F ZINC000681565960 566984981 /nfs/dbraw/zinc/98/49/81/566984981.db2.gz CPQJZXWFBUOOGG-CYBMUJFWSA-N -2 3 396.198 3.376 20 0 GGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccs1 ZINC000681556937 566985541 /nfs/dbraw/zinc/98/55/41/566985541.db2.gz GLZNAAQPMWCCJR-LBPRGKRZSA-N -2 3 383.422 3.436 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1cc(F)ccc1F ZINC000681568251 566986687 /nfs/dbraw/zinc/98/66/87/566986687.db2.gz SJLBXTYXWSAESB-CYBMUJFWSA-N -2 3 396.198 3.376 20 0 GGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000681576982 566990278 /nfs/dbraw/zinc/99/02/78/566990278.db2.gz IDBYSRALBAWBGF-GFCCVEGCSA-N -2 3 388.272 3.215 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000494634903 567013650 /nfs/dbraw/zinc/01/36/50/567013650.db2.gz RUBJLSMLWIHJER-UHFFFAOYSA-N -2 3 375.324 3.127 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CC(C)(C)c2ccccc21 ZINC000584170497 567018533 /nfs/dbraw/zinc/01/85/33/567018533.db2.gz USKIGFAZJJUVID-LBPRGKRZSA-N -2 3 381.475 3.156 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)c1 ZINC000545124917 567020496 /nfs/dbraw/zinc/02/04/96/567020496.db2.gz UNOYZWKXZIVWNB-UHFFFAOYSA-N -2 3 379.768 3.456 20 0 GGADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000657143489 567023426 /nfs/dbraw/zinc/02/34/26/567023426.db2.gz XJUXTQRGGROUQM-BDAKNGLRSA-N -2 3 396.328 3.068 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000584264090 567025940 /nfs/dbraw/zinc/02/59/40/567025940.db2.gz HTMZBGHAIUEXDG-LBPRGKRZSA-N -2 3 393.408 3.146 20 0 GGADHL CCOc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc(Cl)c1[O-] ZINC000545169252 567026292 /nfs/dbraw/zinc/02/62/92/567026292.db2.gz FCSXNNHEVWUZIO-UHFFFAOYSA-N -2 3 384.841 3.068 20 0 GGADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)c1Cl ZINC000682389687 567041383 /nfs/dbraw/zinc/04/13/83/567041383.db2.gz LGOINPWDBSGJCE-UHFFFAOYSA-N -2 3 378.233 3.380 20 0 GGADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000565308022 567057453 /nfs/dbraw/zinc/05/74/53/567057453.db2.gz QCGBTPNIWKKHCU-LLVKDONJSA-N -2 3 398.706 3.270 20 0 GGADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F ZINC000521620537 567068395 /nfs/dbraw/zinc/06/83/95/567068395.db2.gz JCTREWZJNBMNHF-LBPRGKRZSA-N -2 3 383.388 3.039 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1c2ccccc2CC[C@H]1C ZINC000584778309 567070407 /nfs/dbraw/zinc/07/04/07/567070407.db2.gz VCPKKCLZUKMYHG-MEBBXXQBSA-N -2 3 381.475 3.057 20 0 GGADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C(=O)[O-])cc1 ZINC000521869879 567082838 /nfs/dbraw/zinc/08/28/38/567082838.db2.gz VQDRMZQKEKXRTA-NSHDSACASA-N -2 3 393.408 3.222 20 0 GGADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c[n-]1 ZINC000585730923 567083776 /nfs/dbraw/zinc/08/37/76/567083776.db2.gz QEHPHTQJOIWZCS-UHFFFAOYSA-N -2 3 397.762 3.059 20 0 GGADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)[n-]1 ZINC000585730923 567083779 /nfs/dbraw/zinc/08/37/79/567083779.db2.gz QEHPHTQJOIWZCS-UHFFFAOYSA-N -2 3 397.762 3.059 20 0 GGADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c[n-]1 ZINC000585730849 567083803 /nfs/dbraw/zinc/08/38/03/567083803.db2.gz HOESOBJBETZSCF-UHFFFAOYSA-N -2 3 392.264 3.311 20 0 GGADHL COC(=O)c1cc(Cl)cc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1[O-] ZINC000588099143 567113813 /nfs/dbraw/zinc/11/38/13/567113813.db2.gz INPSYTFBYBDEPB-UHFFFAOYSA-N -2 3 375.686 3.207 20 0 GGADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)C2CC2)s1 ZINC000546262388 567119579 /nfs/dbraw/zinc/11/95/79/567119579.db2.gz LUMQLBQRPAFOGT-AWEZNQCLSA-N -2 3 384.454 3.027 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000432077707 567130595 /nfs/dbraw/zinc/13/05/95/567130595.db2.gz GZXWWSZLGBCOLS-UHFFFAOYSA-N -2 3 379.821 3.276 20 0 GGADHL Cc1csc(C2([N-]S(=O)(=O)c3c(C)csc3C(=O)[O-])CCCC2)n1 ZINC000566178392 567133324 /nfs/dbraw/zinc/13/33/24/567133324.db2.gz YANNKTBGXCGTGI-UHFFFAOYSA-N -2 3 386.520 3.267 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccc(C)c1 ZINC000683729721 567148665 /nfs/dbraw/zinc/14/86/65/567148665.db2.gz ZIACLYNUSOXURP-CQSZACIVSA-N -2 3 383.853 3.151 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000683729700 567149247 /nfs/dbraw/zinc/14/92/47/567149247.db2.gz YDQJSIWZJABVDV-AWEZNQCLSA-N -2 3 390.244 3.106 20 0 GGADHL COc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(Br)c1 ZINC000589149652 567160658 /nfs/dbraw/zinc/16/06/58/567160658.db2.gz WMRIBTDBEPMDMD-UHFFFAOYSA-N -2 3 392.252 3.018 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)c1nc2c(s1)CCC2 ZINC000566843306 567195404 /nfs/dbraw/zinc/19/54/04/567195404.db2.gz UXPWRUXUZBQHGE-QMMMGPOBSA-N -2 3 386.882 3.023 20 0 GGADHL O=C(CNC(=O)c1cccc([O-])c1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000474741818 567195646 /nfs/dbraw/zinc/19/56/46/567195646.db2.gz RMQHLUHHFSFKEQ-UHFFFAOYSA-N -2 3 389.622 3.427 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)C(C)(C)c1ccccc1 ZINC000567107873 567218198 /nfs/dbraw/zinc/21/81/98/567218198.db2.gz VVMBVEQFUGMCQM-LLVKDONJSA-N -2 3 383.491 3.100 20 0 GGADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)CC(=O)[O-] ZINC000547554575 567219900 /nfs/dbraw/zinc/21/99/00/567219900.db2.gz POAQAMLPMVRPOZ-SECBINFHSA-N -2 3 396.278 3.004 20 0 GGADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)CC(=O)[O-] ZINC000547558943 567220489 /nfs/dbraw/zinc/22/04/89/567220489.db2.gz QAODIYFICCUUQW-VIFPVBQESA-N -2 3 396.278 3.004 20 0 GGADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)(CC(=O)[O-])C1 ZINC000547564038 567221309 /nfs/dbraw/zinc/22/13/09/567221309.db2.gz YZBNXLWGCGRDHH-IAQYHMDHSA-N -2 3 379.400 3.265 20 0 GGADHL Cc1ccc(C[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)C(=O)[O-])cc1 ZINC000547565282 567221517 /nfs/dbraw/zinc/22/15/17/567221517.db2.gz LHCKMRPOAFKTGR-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)(CC(=O)[O-])C1 ZINC000547564041 567221728 /nfs/dbraw/zinc/22/17/28/567221728.db2.gz YZBNXLWGCGRDHH-XHDPSFHLSA-N -2 3 379.400 3.265 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])c(Cl)c1Cl ZINC000547565139 567221789 /nfs/dbraw/zinc/22/17/89/567221789.db2.gz JCQHVZOHAOJTDW-NHYWBVRUSA-N -2 3 396.292 3.314 20 0 GGADHL Cc1ccc(C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)C(=O)[O-])cc1 ZINC000547561874 567221830 /nfs/dbraw/zinc/22/18/30/567221830.db2.gz VKWXSZFDDDSVGE-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1cccc(C[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)C(=O)[O-])c1 ZINC000547569309 567222933 /nfs/dbraw/zinc/22/29/33/567222933.db2.gz KCPIJRZZVTYASE-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(Br)s2)(CC(=O)[O-])C1 ZINC000547568350 567223067 /nfs/dbraw/zinc/22/30/67/567223067.db2.gz LTZKXLCQRZAARA-ZANVPECISA-N -2 3 396.328 3.070 20 0 GGADHL Cc1ccccc1C[C@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000547577245 567224621 /nfs/dbraw/zinc/22/46/21/567224621.db2.gz WJUVUNRMEPHMMI-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1ccc(C[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)C(=O)[O-])cc1 ZINC000547575133 567224774 /nfs/dbraw/zinc/22/47/74/567224774.db2.gz JXQDYBJSEBRENZ-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1ccc(C[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2Cl)C(=O)[O-])cc1 ZINC000547575232 567224982 /nfs/dbraw/zinc/22/49/82/567224982.db2.gz VTQYQXHXXLEQQR-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547581925 567225541 /nfs/dbraw/zinc/22/55/41/567225541.db2.gz GCARGMLZVRFDLP-JTQLQIEISA-N -2 3 385.379 3.402 20 0 GGADHL O=C([O-])[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547585134 567226311 /nfs/dbraw/zinc/22/63/11/567226311.db2.gz BVCIBDNGGUQJSD-CQSZACIVSA-N -2 3 392.235 3.107 20 0 GGADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547581926 567226339 /nfs/dbraw/zinc/22/63/39/567226339.db2.gz GCARGMLZVRFDLP-SNVBAGLBSA-N -2 3 385.379 3.402 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(F)c1 ZINC000547590495 567227174 /nfs/dbraw/zinc/22/71/74/567227174.db2.gz ZFBAJOLPYDBIAT-AWEZNQCLSA-N -2 3 375.780 3.031 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(F)c1 ZINC000547590496 567227693 /nfs/dbraw/zinc/22/76/93/567227693.db2.gz ZFBAJOLPYDBIAT-CQSZACIVSA-N -2 3 375.780 3.031 20 0 GGADHL CCCSC[C@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000547601618 567229826 /nfs/dbraw/zinc/22/98/26/567229826.db2.gz IDJULPUNJDJHTQ-LBPRGKRZSA-N -2 3 391.898 3.269 20 0 GGADHL CC(C)(CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)CCC(=O)[O-] ZINC000547612776 567232034 /nfs/dbraw/zinc/23/20/34/567232034.db2.gz TTXDZPONJWOBMS-UHFFFAOYSA-N -2 3 385.379 3.404 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)c(F)cc1F ZINC000547617287 567232779 /nfs/dbraw/zinc/23/27/79/567232779.db2.gz LGJBUABVJZGLBG-AWEZNQCLSA-N -2 3 375.780 3.031 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])s1 ZINC000547618109 567233069 /nfs/dbraw/zinc/23/30/69/567233069.db2.gz VGCWDYVLABGICP-RKDXNWHRSA-N -2 3 398.344 3.377 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)c(F)c1 ZINC000547617247 567233369 /nfs/dbraw/zinc/23/33/69/567233369.db2.gz KRNVSLGNDUAGDE-ZDUSSCGKSA-N -2 3 397.733 3.001 20 0 GGADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)C(F)F ZINC000567275878 567233552 /nfs/dbraw/zinc/23/35/52/567233552.db2.gz JAADIQZNTBXWHL-SECBINFHSA-N -2 3 377.796 3.128 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])c(Cl)c1Cl ZINC000547639867 567235144 /nfs/dbraw/zinc/23/51/44/567235144.db2.gz HKBWEZPFYGLRHU-QMMMGPOBSA-N -2 3 384.281 3.170 20 0 GGADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000567345320 567237740 /nfs/dbraw/zinc/23/77/40/567237740.db2.gz CMIWRRGCIGDWIL-PELKAZGASA-N -2 3 398.706 3.126 20 0 GGADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000567345322 567238516 /nfs/dbraw/zinc/23/85/16/567238516.db2.gz CMIWRRGCIGDWIL-QPUJVOFHSA-N -2 3 398.706 3.126 20 0 GGADHL CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433518262 567257144 /nfs/dbraw/zinc/25/71/44/567257144.db2.gz TZDJJSXMLFGFSW-UHFFFAOYSA-N -3 3 385.825 3.332 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])cc1Cl ZINC000547892072 567257237 /nfs/dbraw/zinc/25/72/37/567257237.db2.gz VYWUGRTZNIOUQL-DZGCQCFKSA-N -2 3 396.292 3.314 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1C(F)(F)F ZINC000433526872 567257544 /nfs/dbraw/zinc/25/75/44/567257544.db2.gz CNRBEKYXCAJRRB-UHFFFAOYSA-N -3 3 375.324 3.218 20 0 GGADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547896411 567258098 /nfs/dbraw/zinc/25/80/98/567258098.db2.gz MYIYZWYXYYVLSJ-TZMCWYRMSA-N -2 3 383.363 3.156 20 0 GGADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547896408 567258314 /nfs/dbraw/zinc/25/83/14/567258314.db2.gz MYIYZWYXYYVLSJ-GXTWGEPZSA-N -2 3 383.363 3.156 20 0 GGADHL C[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000567609707 567260573 /nfs/dbraw/zinc/26/05/73/567260573.db2.gz XJXDXVUFVFZHHC-BMIGLBTASA-N -2 3 397.827 3.253 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)s1 ZINC000547907635 567260683 /nfs/dbraw/zinc/26/06/83/567260683.db2.gz ZHTSOMHLZSWWEG-VIFPVBQESA-N -2 3 398.344 3.377 20 0 GGADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)c1Cl ZINC000685209804 567261445 /nfs/dbraw/zinc/26/14/45/567261445.db2.gz HBTLNNWZOXJSQL-QMMMGPOBSA-N -2 3 390.235 3.245 20 0 GGADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(Cl)cccc2Cl)s1 ZINC000547937289 567266457 /nfs/dbraw/zinc/26/64/57/567266457.db2.gz AMQUMATVLWPUSO-LBPRGKRZSA-N -2 3 395.289 3.117 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC000547936189 567266948 /nfs/dbraw/zinc/26/69/48/567266948.db2.gz DMUPWTVYLYTXMF-GFCCVEGCSA-N -2 3 378.208 3.237 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)c(Cl)c1Cl ZINC000547934365 567267105 /nfs/dbraw/zinc/26/71/05/567267105.db2.gz AXORSLBTMRMVKK-SNVBAGLBSA-N -2 3 384.281 3.170 20 0 GGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000547964581 567269936 /nfs/dbraw/zinc/26/99/36/567269936.db2.gz BYVMQABUDXOBCU-MRVPVSSYSA-N -2 3 398.706 3.270 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(Br)c1 ZINC000526004830 567282414 /nfs/dbraw/zinc/28/24/14/567282414.db2.gz XNJUGTRPIDPDDS-UHFFFAOYSA-N -2 3 376.203 3.103 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C1CCC1 ZINC000526061282 567288418 /nfs/dbraw/zinc/28/84/18/567288418.db2.gz ISXSZGZGJAXSRS-MRXNPFEDSA-N -2 3 387.885 3.051 20 0 GGADHL Cc1cccc([C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C(=O)[O-])c1 ZINC000548199878 567289148 /nfs/dbraw/zinc/28/91/48/567289148.db2.gz OGJAJQXXHGWMSU-LLVKDONJSA-N -2 3 380.274 3.468 20 0 GGADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000548214876 567291992 /nfs/dbraw/zinc/29/19/92/567291992.db2.gz YJEVHSIXHYPEHY-ZDUSSCGKSA-N -2 3 392.235 3.107 20 0 GGADHL Cc1cccc(C[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)C(=O)[O-])c1 ZINC000548223544 567292633 /nfs/dbraw/zinc/29/26/33/567292633.db2.gz ZXRQRCFQPCYIOX-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC(=O)[O-] ZINC000548226002 567293115 /nfs/dbraw/zinc/29/31/15/567293115.db2.gz USYCUGRWTLQOMR-SECBINFHSA-N -2 3 385.379 3.260 20 0 GGADHL COc1ccsc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000548234469 567294152 /nfs/dbraw/zinc/29/41/52/567294152.db2.gz GWJBBVCKWGHRTK-NSHDSACASA-N -2 3 396.273 3.168 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1c(Cl)cccc1Cl ZINC000548231565 567294388 /nfs/dbraw/zinc/29/43/88/567294388.db2.gz KCVARNGEBJYVNO-CYBMUJFWSA-N -2 3 396.198 3.376 20 0 GGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000548259790 567300032 /nfs/dbraw/zinc/30/00/32/567300032.db2.gz BCLPDKXRCVGTPU-NXEZZACHSA-N -2 3 385.379 3.402 20 0 GGADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000548265405 567300950 /nfs/dbraw/zinc/30/09/50/567300950.db2.gz AUTVNUDYYYJGEC-JOYOIKCWSA-N -2 3 396.278 3.146 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1F)c1c(Cl)cccc1Cl ZINC000548267878 567302620 /nfs/dbraw/zinc/30/26/20/567302620.db2.gz CIYHIEBRHWGITC-CYBMUJFWSA-N -2 3 378.208 3.237 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000548269359 567302788 /nfs/dbraw/zinc/30/27/88/567302788.db2.gz XGLWGZRWUBTURT-INIZCTEOSA-N -2 3 383.853 3.070 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])cc1Cl ZINC000548292053 567304630 /nfs/dbraw/zinc/30/46/30/567304630.db2.gz ZPCNSOAPUNQAMV-QMMMGPOBSA-N -2 3 384.281 3.170 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])cc1Cl ZINC000548292052 567304687 /nfs/dbraw/zinc/30/46/87/567304687.db2.gz ZPCNSOAPUNQAMV-MRVPVSSYSA-N -2 3 384.281 3.170 20 0 GGADHL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000476258485 567308656 /nfs/dbraw/zinc/30/86/56/567308656.db2.gz KPTNJLDIXKMVNT-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1Cl ZINC000500313589 567313552 /nfs/dbraw/zinc/31/35/52/567313552.db2.gz HPSIJQWXNBYGLB-UHFFFAOYSA-N -2 3 376.217 3.258 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1Br ZINC000476410233 567322135 /nfs/dbraw/zinc/32/21/35/567322135.db2.gz ATPQVXOJLWYXLQ-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000548533973 567323906 /nfs/dbraw/zinc/32/39/06/567323906.db2.gz DXLVGTHNVICYSE-OAHLLOKOSA-N -2 3 383.853 3.233 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000548533970 567324371 /nfs/dbraw/zinc/32/43/71/567324371.db2.gz DXLVGTHNVICYSE-HNNXBMFYSA-N -2 3 383.853 3.233 20 0 GGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1ccccc1Cl ZINC000548533885 567324609 /nfs/dbraw/zinc/32/46/09/567324609.db2.gz BZXGAQCAGYFNNV-SNVBAGLBSA-N -2 3 394.301 3.277 20 0 GGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1nc(C(=O)[O-])cs1 ZINC000548535462 567324844 /nfs/dbraw/zinc/32/48/44/567324844.db2.gz VQHVANXVNODXEF-UHFFFAOYSA-N -2 3 386.838 3.028 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000548538977 567324971 /nfs/dbraw/zinc/32/49/71/567324971.db2.gz GMPAJOLZAGMKRT-SNVBAGLBSA-N -2 3 381.837 3.471 20 0 GGADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000548543659 567325521 /nfs/dbraw/zinc/32/55/21/567325521.db2.gz WQOXQTGBZSUKMP-DYVFJYSZSA-N -2 3 380.491 3.122 20 0 GGADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000548543716 567326024 /nfs/dbraw/zinc/32/60/24/567326024.db2.gz DXHMLUNTAHQQDO-MRVPVSSYSA-N -2 3 384.679 3.024 20 0 GGADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000527287629 567327765 /nfs/dbraw/zinc/32/77/65/567327765.db2.gz KFMCOWJCYIVYDX-SNVBAGLBSA-N -2 3 389.832 3.399 20 0 GGADHL Cc1ccc(C[C@H](C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)C(=O)[O-])cc1 ZINC000548557121 567328613 /nfs/dbraw/zinc/32/86/13/567328613.db2.gz UGRLHJFGXKQLCF-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000548590513 567334332 /nfs/dbraw/zinc/33/43/32/567334332.db2.gz OCCFQUYWMIEAJX-NSHDSACASA-N -2 3 398.706 3.270 20 0 GGADHL C[C@H](CC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)CC(=O)[O-] ZINC000548593653 567334891 /nfs/dbraw/zinc/33/48/91/567334891.db2.gz JRWMXWXJOWNAKF-SNVBAGLBSA-N -2 3 388.898 3.243 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)c1c(Cl)cccc1Cl ZINC000548589524 567334910 /nfs/dbraw/zinc/33/49/10/567334910.db2.gz VSFDWBCRVJQVNT-GFCCVEGCSA-N -2 3 395.651 3.146 20 0 GGADHL Cc1cc([C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C(=O)[O-])ccc1Cl ZINC000548588875 567335237 /nfs/dbraw/zinc/33/52/37/567335237.db2.gz ZBUAXEWRYSJGFD-AWEZNQCLSA-N -2 3 393.770 3.170 20 0 GGADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000548588188 567335326 /nfs/dbraw/zinc/33/53/26/567335326.db2.gz KIDVEAKUQWBKPJ-IUCAKERBSA-N -2 3 384.317 3.068 20 0 GGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000548596653 567335845 /nfs/dbraw/zinc/33/58/45/567335845.db2.gz RIUCVQHAZDAZSJ-STQMWFEESA-N -2 3 382.507 3.368 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCSC[C@H](C)C(=O)[O-])c1Cl ZINC000592447940 567339653 /nfs/dbraw/zinc/33/96/53/567339653.db2.gz IUHZKZHEPYLHDM-VIFPVBQESA-N -2 3 386.322 3.034 20 0 GGADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000568579592 567340608 /nfs/dbraw/zinc/34/06/08/567340608.db2.gz YVPLUJIEOWIBPU-AWEZNQCLSA-N -2 3 389.901 3.297 20 0 GGADHL O=C([O-])[C@@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1F)Cc1ccccc1 ZINC000548684997 567343440 /nfs/dbraw/zinc/34/34/40/567343440.db2.gz YPPYCEZYMCUNDS-ZDUSSCGKSA-N -2 3 385.844 3.091 20 0 GGADHL C[C@@H]1CCC[C@]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)(C(=O)[O-])C1 ZINC000548771032 567349006 /nfs/dbraw/zinc/34/90/06/567349006.db2.gz RFOYZKUMXTXOHQ-YMTOWFKASA-N -2 3 383.363 3.156 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC[C@@H](C)C2)c(Cl)c1Cl ZINC000548769948 567349206 /nfs/dbraw/zinc/34/92/06/567349206.db2.gz LAPLXZMUSUWDGZ-PSLIRLAXSA-N -2 3 396.292 3.314 20 0 GGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1F ZINC000548860937 567357365 /nfs/dbraw/zinc/35/73/65/567357365.db2.gz ZJWMKJUBNMCLDN-UHFFFAOYSA-N -2 3 381.353 3.296 20 0 GGADHL COC(=O)[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000477500871 567399052 /nfs/dbraw/zinc/39/90/52/567399052.db2.gz ROUBWFFFSHRUNN-AWEZNQCLSA-N -2 3 383.853 3.053 20 0 GGADHL CCn1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)cc1C(=O)[O-] ZINC000436157184 567409592 /nfs/dbraw/zinc/40/95/92/567409592.db2.gz XZTVRDWZNIJZAQ-UHFFFAOYSA-N -2 3 386.857 3.448 20 0 GGADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436476653 567426526 /nfs/dbraw/zinc/42/65/26/567426526.db2.gz JYRACFCSKOTGCO-UHFFFAOYSA-N -3 3 379.287 3.049 20 0 GGADHL COc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1OC ZINC000436475426 567426829 /nfs/dbraw/zinc/42/68/29/567426829.db2.gz BIMIWDQEOBVAJV-UHFFFAOYSA-N -2 3 377.340 3.229 20 0 GGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000436660657 567442368 /nfs/dbraw/zinc/44/23/68/567442368.db2.gz ANBXEBCTCKUGSR-UHFFFAOYSA-N -2 3 376.217 3.286 20 0 GGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000436662540 567442680 /nfs/dbraw/zinc/44/26/80/567442680.db2.gz GHLLTKWYHQTDIT-UHFFFAOYSA-N -2 3 376.217 3.286 20 0 GGADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc([O-])c2Br)no1 ZINC000641691882 567450380 /nfs/dbraw/zinc/45/03/80/567450380.db2.gz OPSZKRZLLBVBOO-UHFFFAOYSA-N -2 3 389.271 3.382 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1F ZINC000502751042 567450373 /nfs/dbraw/zinc/45/03/73/567450373.db2.gz RERURFLLCAWFTF-UHFFFAOYSA-N -2 3 394.207 3.397 20 0 GGADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2SC(C)C)ccc1[O-] ZINC000436845001 567456527 /nfs/dbraw/zinc/45/65/27/567456527.db2.gz HVWFWTNQLRGFRT-UHFFFAOYSA-N -2 3 381.475 3.480 20 0 GGADHL CSCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1 ZINC000436848598 567458363 /nfs/dbraw/zinc/45/83/63/567458363.db2.gz VVGODZYVMXIZQW-UHFFFAOYSA-N -2 3 381.475 3.105 20 0 GGADHL CCc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])n1 ZINC000436897607 567464080 /nfs/dbraw/zinc/46/40/80/567464080.db2.gz SHLFRRDJUOXJPQ-UHFFFAOYSA-N -2 3 379.825 3.459 20 0 GGADHL O=C([N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc(Br)o1 ZINC000436915812 567466355 /nfs/dbraw/zinc/46/63/55/567466355.db2.gz QLWKPLNKJABKHB-UHFFFAOYSA-N -2 3 383.589 3.439 20 0 GGADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000436937633 567468189 /nfs/dbraw/zinc/46/81/89/567468189.db2.gz QQLFLKVYSLPPCM-UHFFFAOYSA-N -2 3 383.809 3.056 20 0 GGADHL O=C(Nc1cc(Br)ccc1[O-])c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000436935777 567468368 /nfs/dbraw/zinc/46/83/68/567468368.db2.gz QMXJBFPECQKQMY-UHFFFAOYSA-N -2 3 392.184 3.437 20 0 GGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)c1 ZINC000436995485 567473648 /nfs/dbraw/zinc/47/36/48/567473648.db2.gz DJPUTOSBHWQUFR-UHFFFAOYSA-N -3 3 393.751 3.146 20 0 GGADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(F)(F)F ZINC000663294717 567491531 /nfs/dbraw/zinc/49/15/31/567491531.db2.gz YUWIYNNLFIPZDZ-MRVPVSSYSA-N -2 3 393.305 3.027 20 0 GGADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(F)(F)F ZINC000663293776 567491841 /nfs/dbraw/zinc/49/18/41/567491841.db2.gz LZARGKMAPBNONK-ZCFIWIBFSA-N -2 3 399.334 3.089 20 0 GGADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000663294146 567492663 /nfs/dbraw/zinc/49/26/63/567492663.db2.gz OVVAEOULTLPIPX-ZETCQYMHSA-N -2 3 394.198 3.315 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccs1 ZINC000643121712 567493484 /nfs/dbraw/zinc/49/34/84/567493484.db2.gz BXWYUXGEHRESRG-ZETCQYMHSA-N -2 3 385.410 3.323 20 0 GGADHL CCCc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000570573312 567496122 /nfs/dbraw/zinc/49/61/22/567496122.db2.gz LAKXSVKLFTVDJL-JTQLQIEISA-N -2 3 387.807 3.224 20 0 GGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000643297756 567505295 /nfs/dbraw/zinc/50/52/95/567505295.db2.gz GAWSJJDCDVODMW-MRVPVSSYSA-N -2 3 385.816 3.109 20 0 GGADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)(CC(=O)[O-])C1 ZINC000570704405 567506543 /nfs/dbraw/zinc/50/65/43/567506543.db2.gz BNRGKSUUCWQXGE-RNCFNFMXSA-N -2 3 385.429 3.326 20 0 GGADHL CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000551467811 567509132 /nfs/dbraw/zinc/50/91/32/567509132.db2.gz NAGPDXQGPOAZNA-UHFFFAOYSA-N -2 3 377.857 3.444 20 0 GGADHL CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000551467811 567509136 /nfs/dbraw/zinc/50/91/36/567509136.db2.gz NAGPDXQGPOAZNA-UHFFFAOYSA-N -2 3 377.857 3.444 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000504517567 567538443 /nfs/dbraw/zinc/53/84/43/567538443.db2.gz BTXGJYFUIRYVIN-SECBINFHSA-N -2 3 387.807 3.384 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1C ZINC000504686424 567544257 /nfs/dbraw/zinc/54/42/57/567544257.db2.gz DXBMKHXHRJGBJN-LBPRGKRZSA-N -2 3 381.475 3.370 20 0 GGADHL COc1c(Br)cccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504722181 567545595 /nfs/dbraw/zinc/54/55/95/567545595.db2.gz UACXMDKKIKOXQV-VOTSOKGWSA-N -2 3 379.210 3.059 20 0 GGADHL COc1sc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1Br ZINC000504711845 567545789 /nfs/dbraw/zinc/54/57/89/567545789.db2.gz KYAQHAAPJVTQJP-ONEGZZNKSA-N -2 3 385.239 3.121 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(C)c1C ZINC000571388926 567558774 /nfs/dbraw/zinc/55/87/74/567558774.db2.gz PNANIBPLIOJODN-INIZCTEOSA-N -2 3 383.853 3.070 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCCSc2ccc(F)cc2)c1 ZINC000552175058 567564861 /nfs/dbraw/zinc/56/48/61/567564861.db2.gz GZJRIKOMFIFGDH-UHFFFAOYSA-N -2 3 375.468 3.046 20 0 GGADHL COc1ccsc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000571585901 567573833 /nfs/dbraw/zinc/57/38/33/567573833.db2.gz DPVLYEIZUXPSRF-OAHLLOKOSA-N -2 3 377.443 3.014 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)c2nc3ccccc3s2)cc1C(=O)[O-] ZINC000530153502 567576216 /nfs/dbraw/zinc/57/62/16/567576216.db2.gz VYRWKRDUBITFHW-UHFFFAOYSA-N -2 3 380.447 3.110 20 0 GGADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C(C)(C)c1cccs1 ZINC000571676420 567581148 /nfs/dbraw/zinc/58/11/48/567581148.db2.gz UVHWRPCKVFZIEP-UHFFFAOYSA-N -2 3 389.882 3.322 20 0 GGADHL C[C@H](CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000530340077 567594049 /nfs/dbraw/zinc/59/40/49/567594049.db2.gz HSEWMYMTWQEDRK-GFCCVEGCSA-N -2 3 389.901 3.298 20 0 GGADHL CSc1cccc(F)c1C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000505804280 567597465 /nfs/dbraw/zinc/59/74/65/567597465.db2.gz YKVPFWLCNBGNJR-UHFFFAOYSA-N -2 3 387.429 3.172 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccccc1F ZINC000530382548 567598585 /nfs/dbraw/zinc/59/85/85/567598585.db2.gz SWUNBWSWYSNULD-CYBMUJFWSA-N -2 3 396.198 3.376 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)cs1 ZINC000505838988 567599849 /nfs/dbraw/zinc/59/98/49/567599849.db2.gz PRNQFMHPWSRZNS-UHFFFAOYSA-N -2 3 381.809 3.170 20 0 GGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000645075984 567603834 /nfs/dbraw/zinc/60/38/34/567603834.db2.gz XNFMBQVMWZPPMH-ONGXEEELSA-N -2 3 385.791 3.438 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(C)cc2)C(=O)[O-])sc1Cl ZINC000530487943 567605332 /nfs/dbraw/zinc/60/53/32/567605332.db2.gz NGSJVBQKVGJGGN-CYBMUJFWSA-N -2 3 387.910 3.240 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C[C@H](Cc2cccc(C)c2)C(=O)[O-])sc1Cl ZINC000530487947 567606113 /nfs/dbraw/zinc/60/61/13/567606113.db2.gz NZYGDEVFGPQFHW-ZDUSSCGKSA-N -2 3 387.910 3.240 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C[C@H](Cc2ccc(C)cc2)C(=O)[O-])sc1Cl ZINC000530487944 567606124 /nfs/dbraw/zinc/60/61/24/567606124.db2.gz NGSJVBQKVGJGGN-ZDUSSCGKSA-N -2 3 387.910 3.240 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CC3CCC3)C(=O)[O-])s2)cs1 ZINC000530526369 567608718 /nfs/dbraw/zinc/60/87/18/567608718.db2.gz KUXZWRAORKBKBI-NSHDSACASA-N -2 3 386.520 3.102 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2C)C(=O)[O-])sc1Cl ZINC000530541526 567610162 /nfs/dbraw/zinc/61/01/62/567610162.db2.gz JXZSTXJOEOEBIF-ZDUSSCGKSA-N -2 3 387.910 3.240 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2C)C(=O)[O-])sc1Cl ZINC000530541525 567610216 /nfs/dbraw/zinc/61/02/16/567610216.db2.gz JXZSTXJOEOEBIF-CYBMUJFWSA-N -2 3 387.910 3.240 20 0 GGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1C(=O)[O-] ZINC000440803473 567644372 /nfs/dbraw/zinc/64/43/72/567644372.db2.gz GGTVJCVQBCNNPT-UHFFFAOYSA-N -3 3 383.809 3.100 20 0 GGADHL CCCCc1nc2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc2[nH]1 ZINC000531528684 567663555 /nfs/dbraw/zinc/66/35/55/567663555.db2.gz SPDDXPKJJNMHKW-UHFFFAOYSA-N -2 3 379.463 3.466 20 0 GGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000572770617 567664888 /nfs/dbraw/zinc/66/48/88/567664888.db2.gz ZYTVIOAFNNWDHW-MRVPVSSYSA-N -2 3 398.706 3.270 20 0 GGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccccc2Br)c1C(=O)[O-] ZINC000531768554 567678327 /nfs/dbraw/zinc/67/83/27/567678327.db2.gz XEDCAAYIVIGZIU-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)c1ccc(Cl)s1 ZINC000645950315 567683211 /nfs/dbraw/zinc/68/32/11/567683211.db2.gz CQZBNTXXPHEJTN-LURJTMIESA-N -2 3 381.884 3.209 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1F ZINC000442239573 567687255 /nfs/dbraw/zinc/68/72/55/567687255.db2.gz UHNQIFDWPILSSR-UHFFFAOYSA-N -2 3 395.742 3.022 20 0 GGADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F ZINC000645995744 567688654 /nfs/dbraw/zinc/68/86/54/567688654.db2.gz PQYMZTRJCPUTBS-LBPRGKRZSA-N -2 3 383.388 3.039 20 0 GGADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCCSCC(C)C ZINC000573244150 567698166 /nfs/dbraw/zinc/69/81/66/567698166.db2.gz SJGOAPGTTKIQST-UHFFFAOYSA-N -2 3 395.930 3.104 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](c1ccccc1C)C(C)C ZINC000573483616 567716540 /nfs/dbraw/zinc/71/65/40/567716540.db2.gz OBCIDBPDJDPQFT-OAHLLOKOSA-N -2 3 383.491 3.439 20 0 GGADHL O=S(=O)([N-]c1cc([O-])c(Br)cc1Br)c1ccoc1 ZINC000507965257 567720142 /nfs/dbraw/zinc/72/01/42/567720142.db2.gz MYQXNFMKLOAIFZ-UHFFFAOYSA-N -2 3 397.044 3.311 20 0 GGADHL COc1ccc([N-]S(=O)(=O)CCc2ccccc2Br)c([O-])c1 ZINC000461340381 567729640 /nfs/dbraw/zinc/72/96/40/567729640.db2.gz CNWNYTQILNGZNO-UHFFFAOYSA-N -2 3 386.267 3.148 20 0 GGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000573780679 567736527 /nfs/dbraw/zinc/73/65/27/567736527.db2.gz XQUJROLRLGEDAF-QMMMGPOBSA-N -2 3 398.706 3.270 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000573822457 567738440 /nfs/dbraw/zinc/73/84/40/567738440.db2.gz MROWEWJFMTUAFA-LLVKDONJSA-N -2 3 379.381 3.418 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000573822458 567738682 /nfs/dbraw/zinc/73/86/82/567738682.db2.gz MROWEWJFMTUAFA-NSHDSACASA-N -2 3 379.381 3.418 20 0 GGADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1ccc(Cl)cc1F ZINC000443494306 567762994 /nfs/dbraw/zinc/76/29/94/567762994.db2.gz VPGQSPMIWOGUGY-UHFFFAOYSA-N -2 3 394.649 3.426 20 0 GGADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000555695088 567795592 /nfs/dbraw/zinc/79/55/92/567795592.db2.gz PUXNTCGFZZEXSC-CYBMUJFWSA-N -2 3 392.235 3.107 20 0 GGADHL O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1cccc(Br)c1[O-] ZINC000598914956 567799064 /nfs/dbraw/zinc/79/90/64/567799064.db2.gz XWTRXHDWCYBNRZ-UHFFFAOYSA-N -2 3 377.173 3.331 20 0 GGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCC1 ZINC000574953382 567805955 /nfs/dbraw/zinc/80/59/55/567805955.db2.gz BAYWUBCGPPTWBF-UHFFFAOYSA-N -2 3 396.690 3.026 20 0 GGADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2)c1 ZINC000005447335 570596893 /nfs/dbraw/zinc/59/68/93/570596893.db2.gz WLVFSKOSUNAXPZ-UHFFFAOYSA-N -2 3 398.440 3.454 20 0 GGADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000737226089 599030339 /nfs/dbraw/zinc/03/03/39/599030339.db2.gz OHXHEKNLJHWRBJ-UHFFFAOYSA-N -2 3 398.473 3.099 20 0 GGADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000737226089 599030342 /nfs/dbraw/zinc/03/03/42/599030342.db2.gz OHXHEKNLJHWRBJ-UHFFFAOYSA-N -2 3 398.473 3.099 20 0 GGADHL CC(C)(CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(=O)[O-] ZINC000735665156 599099208 /nfs/dbraw/zinc/09/92/08/599099208.db2.gz SVGNNFCTAKAIKY-UHFFFAOYSA-N -2 3 381.392 3.098 20 0 GGADHL CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000819966156 599231798 /nfs/dbraw/zinc/23/17/98/599231798.db2.gz XXVSPDMETLVJNE-UHFFFAOYSA-N -2 3 398.901 3.075 20 0 GGADHL CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000819966156 599231799 /nfs/dbraw/zinc/23/17/99/599231799.db2.gz XXVSPDMETLVJNE-UHFFFAOYSA-N -2 3 398.901 3.075 20 0 GGADHL O=C([O-])Cc1ccccc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000819618416 597238325 /nfs/dbraw/zinc/23/83/25/597238325.db2.gz VVQXRDAPZGGITH-UHFFFAOYSA-N -2 3 379.210 3.104 20 0 GGADHL O=C([O-])c1ccoc1COc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738214332 598493179 /nfs/dbraw/zinc/49/31/79/598493179.db2.gz LFZYKKYOGGYVJG-KTAJNNJTSA-N -2 3 389.371 3.302 20 0 GGADHL O=C([O-])c1ccoc1COc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738214332 598493180 /nfs/dbraw/zinc/49/31/80/598493180.db2.gz LFZYKKYOGGYVJG-KTAJNNJTSA-N -2 3 389.371 3.302 20 0 GGADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1-c1ccccc1 ZINC000738342953 598594658 /nfs/dbraw/zinc/59/46/58/598594658.db2.gz UIEAUMJCWACBJP-UHFFFAOYSA-N -2 3 395.419 3.474 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCCCC1 ZINC000739519278 599743131 /nfs/dbraw/zinc/74/31/31/599743131.db2.gz HQOMGPQFYATBNG-UHFFFAOYSA-N -2 3 396.690 3.168 20 0 GGADHL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000068716250 599764878 /nfs/dbraw/zinc/76/48/78/599764878.db2.gz NBHYEJUYVQQERI-UHFFFAOYSA-N -2 3 399.371 3.031 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)c2ccc(F)cc2)o1 ZINC000326704794 599767475 /nfs/dbraw/zinc/76/74/75/599767475.db2.gz XEWYBQHYOUYGOH-OAHLLOKOSA-N -2 3 381.406 3.246 20 0 GGADHL Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000738488418 599769073 /nfs/dbraw/zinc/76/90/73/599769073.db2.gz PLLOCGXTOIXQNM-UHFFFAOYSA-N -2 3 384.413 3.262 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(c1ccccc1)c1ccccc1 ZINC000736669673 599769861 /nfs/dbraw/zinc/76/98/61/599769861.db2.gz CKWHKTIXFKLWFX-AWEZNQCLSA-N -2 3 385.441 3.477 20 0 GGADHL CC(C)Oc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000565597992 599772108 /nfs/dbraw/zinc/77/21/08/599772108.db2.gz QDCBRMNJRPJISO-ZDUSSCGKSA-N -2 3 381.450 3.065 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCSCc2cccc3ccccc32)o1 ZINC000740176472 599773710 /nfs/dbraw/zinc/77/37/10/599773710.db2.gz GYFUBYWDWNNWQH-UHFFFAOYSA-N -2 3 391.470 3.343 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C(c2ccc(F)cc2)c2ccc(F)cc2)o1 ZINC000740172729 599775043 /nfs/dbraw/zinc/77/50/43/599775043.db2.gz FJNLCEGMJOCBKH-UHFFFAOYSA-N -2 3 393.367 3.324 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CCCCC2)o1 ZINC000740175241 599775187 /nfs/dbraw/zinc/77/51/87/599775187.db2.gz HJZIMXMKHQMLGN-UHFFFAOYSA-N -2 3 381.425 3.297 20 0 GGADHL COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)c1 ZINC000738042306 599799247 /nfs/dbraw/zinc/79/92/47/599799247.db2.gz ROIOETIZLTZJGT-UHFFFAOYSA-N -2 3 385.294 3.292 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCc2ccncc2)cc1 ZINC000466274977 599850328 /nfs/dbraw/zinc/85/03/28/599850328.db2.gz RMZRUPLGGBFJSG-UHFFFAOYSA-N -2 3 398.440 3.468 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCc2ccncc2)cc1 ZINC000591682715 599851098 /nfs/dbraw/zinc/85/10/98/599851098.db2.gz FDZRJLHLPLIMOD-UHFFFAOYSA-N -2 3 398.440 3.468 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2Oc2cccc(F)c2)o1 ZINC000740177080 599869744 /nfs/dbraw/zinc/86/97/44/599869744.db2.gz AHFCPRJRCFLTIE-UHFFFAOYSA-N -2 3 391.376 3.388 20 0 GGADHL CC(=O)Nc1ccc([O-])c(C(=O)NCc2c3ccccc3sc2C(=O)[O-])c1 ZINC000736164711 599881518 /nfs/dbraw/zinc/88/15/18/599881518.db2.gz AVFQSWWNWFDZKZ-UHFFFAOYSA-N -2 3 384.413 3.194 20 0 GGADHL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)cc2)n1 ZINC000738372771 599906355 /nfs/dbraw/zinc/90/63/55/599906355.db2.gz XYZFSXMQAKOMCA-UHFFFAOYSA-N -2 3 385.445 3.297 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)cc1 ZINC000477420135 599906554 /nfs/dbraw/zinc/90/65/54/599906554.db2.gz AMQFWBQFSXHVMU-UHFFFAOYSA-N -2 3 389.351 3.435 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCc2ccncc2)cc1 ZINC000477400267 599908388 /nfs/dbraw/zinc/90/83/88/599908388.db2.gz CMGVAAKPKSIUFM-UHFFFAOYSA-N -2 3 398.440 3.468 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2F)c(Br)cc1F ZINC000135326514 599923891 /nfs/dbraw/zinc/92/38/91/599923891.db2.gz RSNFVLIKVKIFNB-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)ccc1C(=O)[O-] ZINC000476740288 599924941 /nfs/dbraw/zinc/92/49/41/599924941.db2.gz PEOKWZKRJAWVLT-UHFFFAOYSA-N -3 3 389.429 3.071 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1C(=O)[O-] ZINC000476771838 599926179 /nfs/dbraw/zinc/92/61/79/599926179.db2.gz KWBJTHFCJVDJMH-UHFFFAOYSA-N -2 3 389.351 3.435 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)cc1 ZINC000728514396 599926271 /nfs/dbraw/zinc/92/62/71/599926271.db2.gz KVBDMIFTMNCHCK-UHFFFAOYSA-N -2 3 384.413 3.160 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)cc1C ZINC000737867011 599926337 /nfs/dbraw/zinc/92/63/37/599926337.db2.gz GMOWJENQRQDOHX-UHFFFAOYSA-N -2 3 395.502 3.431 20 0 GGADHL COc1c(C)cc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)cc1C ZINC000737839788 599927488 /nfs/dbraw/zinc/92/74/88/599927488.db2.gz NACGVCORCZRVMG-UHFFFAOYSA-N -2 3 395.502 3.431 20 0 GGADHL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000737732701 599981747 /nfs/dbraw/zinc/98/17/47/599981747.db2.gz DTXYKENQRGKVCB-ZDUSSCGKSA-N -2 3 379.434 3.048 20 0 GGADHL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000740120807 600057788 /nfs/dbraw/zinc/05/77/88/600057788.db2.gz NDTKQFHIDUYFRP-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL O=C([O-])CCSCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000739753491 600070071 /nfs/dbraw/zinc/07/00/71/600070071.db2.gz NHMRYAZJMPLVOU-UHFFFAOYSA-N -2 3 393.486 3.130 20 0 GGADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1C ZINC000737820137 600100954 /nfs/dbraw/zinc/10/09/54/600100954.db2.gz BQWQBLPWVSBWNI-UHFFFAOYSA-N -2 3 398.412 3.050 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1OC ZINC000737867477 600100976 /nfs/dbraw/zinc/10/09/76/600100976.db2.gz KVBQYGAZUGLKJZ-UHFFFAOYSA-N -2 3 384.385 3.042 20 0 GGADHL CN1CCCc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3C(=O)[O-])ccc21 ZINC000737518062 600105456 /nfs/dbraw/zinc/10/54/56/600105456.db2.gz NDGTVTUILPMZOE-UHFFFAOYSA-N -2 3 380.853 3.221 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)cc1 ZINC000738688493 600105630 /nfs/dbraw/zinc/10/56/30/600105630.db2.gz ANIGRXKHYMTUER-UHFFFAOYSA-N -2 3 382.388 3.064 20 0 GGADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000738997062 600123012 /nfs/dbraw/zinc/12/30/12/600123012.db2.gz SIFYSZOVFGWAOP-UHFFFAOYSA-N -2 3 385.355 3.033 20 0 GGADHL O=C([O-])Cc1nc([N-]C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)n[nH]1 ZINC000739899537 600183077 /nfs/dbraw/zinc/18/30/77/600183077.db2.gz QKQWHKJLPJADNA-UHFFFAOYSA-N -2 3 398.231 3.114 20 0 GGADHL O=C([O-])CCc1nnc(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])s1 ZINC000739777895 600269118 /nfs/dbraw/zinc/26/91/18/600269118.db2.gz SHTQIPOUVIJCEN-UHFFFAOYSA-N -2 3 397.456 3.298 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)c(C)c1C ZINC000738069925 600299492 /nfs/dbraw/zinc/29/94/92/600299492.db2.gz RDYRHBLWNHVZGB-UHFFFAOYSA-N -2 3 395.502 3.431 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)c(C)c1 ZINC000737209846 600299792 /nfs/dbraw/zinc/29/97/92/600299792.db2.gz AWNJMUGPNZUZFA-UHFFFAOYSA-N -2 3 378.450 3.304 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1C ZINC000737868138 600300892 /nfs/dbraw/zinc/30/08/92/600300892.db2.gz MTIKQBSPNNNUPK-UHFFFAOYSA-N -2 3 378.450 3.223 20 0 GGADHL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000738202557 600362012 /nfs/dbraw/zinc/36/20/12/600362012.db2.gz HMKDHLUGQCGGLA-OAHLLOKOSA-N -2 3 383.429 3.003 20 0 GGADHL CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000738202556 600362087 /nfs/dbraw/zinc/36/20/87/600362087.db2.gz HMKDHLUGQCGGLA-HNNXBMFYSA-N -2 3 383.429 3.003 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)/C=C\c2cccc(Br)c2)c1O ZINC000740226902 600392154 /nfs/dbraw/zinc/39/21/54/600392154.db2.gz FBCIMHBPTKQQEG-FPLPWBNLSA-N -2 3 398.234 3.266 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)/C=C\c2ccc(Br)cc2)c1O ZINC000740226991 600392394 /nfs/dbraw/zinc/39/23/94/600392394.db2.gz JIQGZHWVKILTBC-HJWRWDBZSA-N -2 3 398.234 3.266 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)c1O ZINC000740226988 600392511 /nfs/dbraw/zinc/39/25/11/600392511.db2.gz JIQGZHWVKILTBC-CMDGGOBGSA-N -2 3 398.234 3.266 20 0 GGADHL CC(C)(C)c1ccc([C@H](CC(=O)[O-])N/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000736296970 600394971 /nfs/dbraw/zinc/39/49/71/600394971.db2.gz AZAOJVPPVYGLAR-BIRYMOPTSA-N -2 3 392.455 3.401 20 0 GGADHL CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000236699197 600415420 /nfs/dbraw/zinc/41/54/20/600415420.db2.gz JGIDOQYJQFCDKD-QGZVFWFLSA-N -2 3 393.443 3.166 20 0 GGADHL CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000236706324 600415512 /nfs/dbraw/zinc/41/55/12/600415512.db2.gz JGIDOQYJQFCDKD-KRWDZBQOSA-N -2 3 393.443 3.166 20 0 GGADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000565750978 600451733 /nfs/dbraw/zinc/45/17/33/600451733.db2.gz PCNKYWUGPBYCJG-OAHLLOKOSA-N -2 3 380.466 3.083 20 0 GGADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000739686993 600489726 /nfs/dbraw/zinc/48/97/26/600489726.db2.gz JXCYSCJLGJRSBD-UHFFFAOYSA-N -2 3 375.446 3.220 20 0 GGADHL COc1ccc2oc(C(=O)[N-]c3nnc(CCCC(=O)[O-])s3)c(C)c2c1 ZINC000738080105 600536879 /nfs/dbraw/zinc/53/68/79/600536879.db2.gz WARLDPWLLKIJLS-UHFFFAOYSA-N -2 3 375.406 3.261 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ncc(-c2ccccc2)o1 ZINC000736663948 600588282 /nfs/dbraw/zinc/58/82/82/600588282.db2.gz JLGNOBXHYXLGTN-SNVBAGLBSA-N -2 3 378.431 3.141 20 0 GGADHL CCOC(=O)c1sc2[n-]c([C@@H](C)S[C@@H](C)CC(=O)[O-])nc(=O)c2c1C ZINC000737157732 600594878 /nfs/dbraw/zinc/59/48/78/600594878.db2.gz WXZHOZMDROLSHP-IONNQARKSA-N -2 3 384.479 3.127 20 0 GGADHL CCOC(=O)c1sc2[n-]c([C@@H](C)S[C@H](C)CC(=O)[O-])nc(=O)c2c1C ZINC000737157733 600594922 /nfs/dbraw/zinc/59/49/22/600594922.db2.gz WXZHOZMDROLSHP-VXNVDRBHSA-N -2 3 384.479 3.127 20 0 GGADHL O=C([O-])CN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccc(O)cc1[O-] ZINC000739793649 600607597 /nfs/dbraw/zinc/60/75/97/600607597.db2.gz JTFRXGBNEJUFCR-UHFFFAOYSA-N -2 3 384.215 3.174 20 0 GGADHL Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)c2)n1 ZINC000466282024 600611854 /nfs/dbraw/zinc/61/18/54/600611854.db2.gz YIAPHDWVEXSZQY-UHFFFAOYSA-N -2 3 383.429 3.259 20 0 GGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1 ZINC000481953127 600627511 /nfs/dbraw/zinc/62/75/11/600627511.db2.gz BTUDIHYNKRDBSQ-UHFFFAOYSA-N -2 3 384.413 3.302 20 0 GGADHL Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481956080 600627560 /nfs/dbraw/zinc/62/75/60/600627560.db2.gz KHOVFBFSTDINPQ-UHFFFAOYSA-N -2 3 399.428 3.005 20 0 GGADHL Cc1nc(-c2cccs2)sc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738837497 600629378 /nfs/dbraw/zinc/62/93/78/600629378.db2.gz CNQZDDNHIZWNBR-UHFFFAOYSA-N -2 3 380.476 3.301 20 0 GGADHL CCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736983929 600631455 /nfs/dbraw/zinc/63/14/55/600631455.db2.gz RGIUVJAELBGVKX-UHFFFAOYSA-N -2 3 382.251 3.145 20 0 GGADHL CSCc1c2ccccc2oc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738195570 600631785 /nfs/dbraw/zinc/63/17/85/600631785.db2.gz XWADCGAESNCEOE-UHFFFAOYSA-N -2 3 377.447 3.417 20 0 GGADHL C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736785777 600632620 /nfs/dbraw/zinc/63/26/20/600632620.db2.gz RIHKZLWRGCYBLX-UFBFGSQYSA-N -2 3 394.262 3.143 20 0 GGADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)C1 ZINC000736777588 600632681 /nfs/dbraw/zinc/63/26/81/600632681.db2.gz XTIDSUHQIKMLML-BDAKNGLRSA-N -2 3 394.262 3.143 20 0 GGADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C(C)(C)C ZINC000736603954 600636004 /nfs/dbraw/zinc/63/60/04/600636004.db2.gz GYJZNARRNGTFDE-MRVPVSSYSA-N -2 3 396.278 3.247 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)cc1C(=O)[O-] ZINC000738063727 600659459 /nfs/dbraw/zinc/65/94/59/600659459.db2.gz HTSIOIRVUVFZGO-UHFFFAOYSA-N -2 3 396.440 3.178 20 0 GGADHL COC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1[O-] ZINC000831209651 600730218 /nfs/dbraw/zinc/73/02/18/600730218.db2.gz FGOYDRMZLPLVHI-CQSZACIVSA-N -2 3 379.752 3.207 20 0 GGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C2CC2)n1 ZINC000185063079 600770312 /nfs/dbraw/zinc/77/03/12/600770312.db2.gz CZPIWVMLMXFVOU-CYBMUJFWSA-N -2 3 386.882 3.233 20 0 GGADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C2CC2)s1 ZINC000185066504 600770399 /nfs/dbraw/zinc/77/03/99/600770399.db2.gz XSQIUIFIALMAPN-ZDUSSCGKSA-N -2 3 386.882 3.233 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1C(=O)[O-] ZINC000016122061 600808639 /nfs/dbraw/zinc/80/86/39/600808639.db2.gz VQXQUAVGBMSSIS-UHFFFAOYSA-N -2 3 376.434 3.089 20 0 GGADHL CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000057122518 600812439 /nfs/dbraw/zinc/81/24/39/600812439.db2.gz FBIHTXOAGZDFKB-UHFFFAOYSA-N -2 3 392.433 3.087 20 0 GGADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1cccc(C(F)(F)F)c1 ZINC000827417421 600866132 /nfs/dbraw/zinc/86/61/32/600866132.db2.gz HSNOMAAZAUQRJA-SNVBAGLBSA-N -2 3 391.367 3.469 20 0 GGADHL CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737137016 600888157 /nfs/dbraw/zinc/88/81/57/600888157.db2.gz SAQRJWJLRDGEHD-IZZDOVSWSA-N -2 3 389.429 3.070 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)ccc1C(=O)[O-] ZINC000738477087 600893319 /nfs/dbraw/zinc/89/33/19/600893319.db2.gz KJYJQYSZVZAICQ-UHFFFAOYSA-N -2 3 398.440 3.468 20 0 GGADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2F)c(Br)cc1F ZINC000740086794 600898318 /nfs/dbraw/zinc/89/83/18/600898318.db2.gz ANNBTHDMARPNJF-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)ccc1C(=O)[O-] ZINC000832904378 600981136 /nfs/dbraw/zinc/98/11/36/600981136.db2.gz JTHIZVZGHMQIAW-UHFFFAOYSA-N -2 3 380.441 3.478 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCC2)c1F ZINC000833294005 600992696 /nfs/dbraw/zinc/99/26/96/600992696.db2.gz KVHWSXQAQGXWCR-UHFFFAOYSA-N -2 3 395.427 3.453 20 0 GGADHL Cc1ccc(SCC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832957190 600993854 /nfs/dbraw/zinc/99/38/54/600993854.db2.gz CXPRODBEULQDNC-UHFFFAOYSA-N -2 3 387.429 3.042 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)NC[C@@H](C(=O)[O-])c3ccccc3)cc2)cc(=O)[n-]1 ZINC000832990770 601020162 /nfs/dbraw/zinc/02/01/62/601020162.db2.gz BGCCURDCBARYMI-QGZVFWFLSA-N -2 3 392.415 3.148 20 0 GGADHL Cc1nc(C)c(CC(=O)O[C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000832994651 601105180 /nfs/dbraw/zinc/10/51/80/601105180.db2.gz PVCSVWJKWDNOGE-AWEZNQCLSA-N -2 3 385.203 3.017 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)ccc1C(=O)[O-] ZINC000392180825 601117725 /nfs/dbraw/zinc/11/77/25/601117725.db2.gz KYNODMZCSWNYGG-UHFFFAOYSA-N -2 3 383.838 3.152 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c2nsnc2ccc1Cl ZINC000324978851 601117824 /nfs/dbraw/zinc/11/78/24/601117824.db2.gz OOZMOIRWIFIJAV-UHFFFAOYSA-N -2 3 383.838 3.152 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]Cc2cccc(COC(C)(C)C)c2)cc1C(=O)[O-] ZINC000645961901 601219637 /nfs/dbraw/zinc/21/96/37/601219637.db2.gz MIPDYYTUGHNJHB-UHFFFAOYSA-N -2 3 381.450 3.080 20 0 GGADHL COc1ccccc1SC[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000577106733 601220403 /nfs/dbraw/zinc/22/04/03/601220403.db2.gz WELCANDCCPMJRO-NSHDSACASA-N -2 3 399.490 3.002 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000571320310 601221385 /nfs/dbraw/zinc/22/13/85/601221385.db2.gz FRNHJRDUBNXPCG-VIFPVBQESA-N -2 3 391.367 3.215 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(-c3ccncc3)cc2)cc1C(=O)[O-] ZINC000833028169 601224137 /nfs/dbraw/zinc/22/41/37/601224137.db2.gz KWWPQFMYDXUOLO-GFCCVEGCSA-N -2 3 386.429 3.388 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3ccncc3)cc2)cc1C(=O)[O-] ZINC000833028170 601224269 /nfs/dbraw/zinc/22/42/69/601224269.db2.gz KWWPQFMYDXUOLO-LBPRGKRZSA-N -2 3 386.429 3.388 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(-c3cccnc3)cc2)cc1C(=O)[O-] ZINC000833028175 601225950 /nfs/dbraw/zinc/22/59/50/601225950.db2.gz LBJZZOOUIDZVMA-LBPRGKRZSA-N -2 3 386.429 3.388 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCSc2ccccc2)c1F ZINC000833294466 601229509 /nfs/dbraw/zinc/22/95/09/601229509.db2.gz TXDONOKOPLUBQX-UHFFFAOYSA-N -2 3 387.429 3.124 20 0 GGADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000826687331 601230162 /nfs/dbraw/zinc/23/01/62/601230162.db2.gz GTVOGRLGZXYDAD-CYBMUJFWSA-N -2 3 383.416 3.381 20 0 GGADHL Cc1cc(C)c(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c(C)c1 ZINC000832878066 601231992 /nfs/dbraw/zinc/23/19/92/601231992.db2.gz PIYBQEFJHVJOKU-UHFFFAOYSA-N -2 3 383.416 3.109 20 0 GGADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000826546978 601232861 /nfs/dbraw/zinc/23/28/61/601232861.db2.gz GXEJFYDYAPVITE-UHFFFAOYSA-N -2 3 383.416 3.309 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Cl)c1F ZINC000833295355 601233077 /nfs/dbraw/zinc/23/30/77/601233077.db2.gz RVANFYVXWPSHIA-GFCCVEGCSA-N -2 3 387.791 3.282 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1F ZINC000826612031 601233390 /nfs/dbraw/zinc/23/33/90/601233390.db2.gz YZFNXKRFJONIER-UHFFFAOYSA-N -2 3 387.379 3.058 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2)c1F ZINC000833293923 601234319 /nfs/dbraw/zinc/23/43/19/601234319.db2.gz ICCGKORXQMGZHK-UHFFFAOYSA-N -2 3 389.807 3.228 20 0 GGADHL CC1(c2ccccc2)CC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000828122747 601234739 /nfs/dbraw/zinc/23/47/39/601234739.db2.gz RBWAMNMKTKYMFN-UHFFFAOYSA-N -2 3 381.400 3.062 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1cccc(F)c1 ZINC000826611175 601236830 /nfs/dbraw/zinc/23/68/30/601236830.db2.gz GCFAJZFLJHBKBC-UHFFFAOYSA-N -2 3 387.379 3.058 20 0 GGADHL Cc1cc(C)cc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000832877788 601239718 /nfs/dbraw/zinc/23/97/18/601239718.db2.gz YRABQPWNJBAJBZ-GFCCVEGCSA-N -2 3 383.416 3.189 20 0 GGADHL CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000830157971 601240547 /nfs/dbraw/zinc/24/05/47/601240547.db2.gz PUMLJUCQAUQVQF-NXEZZACHSA-N -2 3 379.450 3.006 20 0 GGADHL Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000833020525 601283995 /nfs/dbraw/zinc/28/39/95/601283995.db2.gz GSLLFWMYAPQKMN-UHFFFAOYSA-N -2 3 386.311 3.404 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)ccc1F ZINC000010516443 601319400 /nfs/dbraw/zinc/31/94/00/601319400.db2.gz SNOYMCCBFUQHQV-UHFFFAOYSA-N -2 3 393.314 3.266 20 0 GGADHL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)cc2)n1 ZINC000026538887 601321239 /nfs/dbraw/zinc/32/12/39/601321239.db2.gz NTTJOLDRSSKEEI-LFYBBSHMSA-N -2 3 397.456 3.388 20 0 GGADHL COCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(C)c1 ZINC000614852573 601324173 /nfs/dbraw/zinc/32/41/73/601324173.db2.gz HTCAEOIBYTVBNU-UHFFFAOYSA-N -2 3 393.461 3.136 20 0 GGADHL Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)cc2)n1 ZINC000477426603 601558352 /nfs/dbraw/zinc/55/83/52/601558352.db2.gz YOCZTDSIHOIDII-UHFFFAOYSA-N -2 3 399.428 3.385 20 0 GGADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)on1 ZINC000185069714 601580496 /nfs/dbraw/zinc/58/04/96/601580496.db2.gz OUVNSJPSMHUFKM-UHFFFAOYSA-N -2 3 388.392 3.033 20 0 GGADHL O=C([O-])c1cn(CC(=O)Nc2cc(Br)ccc2[O-])c2ccccc12 ZINC000833119783 601587255 /nfs/dbraw/zinc/58/72/55/601587255.db2.gz KNWSMYAAGFSKSA-UHFFFAOYSA-N -2 3 389.205 3.446 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)ccc1O ZINC000833305887 601832122 /nfs/dbraw/zinc/83/21/22/601832122.db2.gz QKJHZVFKQCGSNN-UHFFFAOYSA-N -2 3 389.351 3.386 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)cc2)c(F)cc1F ZINC000832902689 601836408 /nfs/dbraw/zinc/83/64/08/601836408.db2.gz DZTYOOVFJFLBIK-CQSZACIVSA-N -2 3 375.780 3.031 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000832869454 601901542 /nfs/dbraw/zinc/90/15/42/601901542.db2.gz VSTOBNWLPWYEIH-UHFFFAOYSA-N -2 3 393.371 3.162 20 0 GGADHL C[C@]1(C(=O)[O-])CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000828028849 601915621 /nfs/dbraw/zinc/91/56/21/601915621.db2.gz FKKAEMTZUMPXOS-IBGZPJMESA-N -2 3 387.436 3.087 20 0 GGADHL Cc1nc(C)c(CC(=O)O[C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c(=O)[n-]1 ZINC000832994610 602083780 /nfs/dbraw/zinc/08/37/80/602083780.db2.gz NLBQZEHMMIATTM-CQSZACIVSA-N -2 3 385.203 3.017 20 0 GGADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1F ZINC000832011410 602122396 /nfs/dbraw/zinc/12/23/96/602122396.db2.gz XJGFADCNSUPLEC-UHFFFAOYSA-N -2 3 377.752 3.126 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCCCCCC2)c(Br)o1 ZINC000055313164 602140086 /nfs/dbraw/zinc/14/00/86/602140086.db2.gz YRYQTRQFKZAFID-UHFFFAOYSA-N -2 3 380.260 3.132 20 0 GGADHL CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313270 602140209 /nfs/dbraw/zinc/14/02/09/602140209.db2.gz OXUBEFGDQHAEKZ-SECBINFHSA-N -2 3 382.276 3.233 20 0 GGADHL Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)s1 ZINC000055329776 602146520 /nfs/dbraw/zinc/14/65/20/602146520.db2.gz GSAKAKXPANTHPA-ZETCQYMHSA-N -2 3 394.268 3.150 20 0 GGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000681567018 602152369 /nfs/dbraw/zinc/15/23/69/602152369.db2.gz JOMDZRKNWGSJCM-HNNXBMFYSA-N -2 3 399.346 3.263 20 0 GGADHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1cccs1 ZINC000826630704 602157092 /nfs/dbraw/zinc/15/70/92/602157092.db2.gz OKLSRXKEPXSLLN-UHFFFAOYSA-N -2 3 394.268 3.015 20 0 GGADHL CC(C)CC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000391194447 602163082 /nfs/dbraw/zinc/16/30/82/602163082.db2.gz QVEDFFOCJLXCKF-UHFFFAOYSA-N -2 3 382.276 3.091 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(OCC3CC3)c(F)c2)cc1C(=O)[O-] ZINC000582724173 602319781 /nfs/dbraw/zinc/31/97/81/602319781.db2.gz CJOCATXVYNRULP-JTQLQIEISA-N -2 3 397.424 3.254 20 0 GGADHL O=C([O-])c1occc1COC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000833353313 604267548 /nfs/dbraw/zinc/26/75/48/604267548.db2.gz QKHRZCGOUBPBKP-UHFFFAOYSA-N -2 3 391.177 3.487 20 0 GGADHL O=S(=O)([N-]c1cccc2ccsc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000826492756 607684808 /nfs/dbraw/zinc/68/48/08/607684808.db2.gz BJGQNCOKAZWMBX-UHFFFAOYSA-N -2 3 375.410 3.021 20 0 GGADHL O=S(=O)([N-]c1cccc2ccsc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000826492756 607684810 /nfs/dbraw/zinc/68/48/10/607684810.db2.gz BJGQNCOKAZWMBX-UHFFFAOYSA-N -2 3 375.410 3.021 20 0 GGADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc(F)ccc2Br)CCCCC1 ZINC000833206257 604487977 /nfs/dbraw/zinc/48/79/77/604487977.db2.gz RHZQYDILFHCMDU-UHFFFAOYSA-N -2 3 394.262 3.044 20 0 GGADHL CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000830814607 604539431 /nfs/dbraw/zinc/53/94/31/604539431.db2.gz KFWPURYGMPRWDH-UHFFFAOYSA-N -2 3 393.237 3.195 20 0 GGADHL CC1=C(C(=O)[O-])[C@H](c2ccc([O-])c(F)c2)NC(=O)N1CCc1cccs1 ZINC000833577000 604556715 /nfs/dbraw/zinc/55/67/15/604556715.db2.gz NVJVQGUOCSQORD-INIZCTEOSA-N -2 3 376.409 3.260 20 0 GGADHL O=C([O-])Cc1csc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000738633025 604666019 /nfs/dbraw/zinc/66/60/19/604666019.db2.gz BMLGZSKENSIHSV-UHFFFAOYSA-N -2 3 384.413 3.307 20 0 GGADHL CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000833504519 604732509 /nfs/dbraw/zinc/73/25/09/604732509.db2.gz QZNWKGWFBJZGFL-IBGZPJMESA-N -2 3 385.460 3.128 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)c(C)c1 ZINC000831966573 604808384 /nfs/dbraw/zinc/80/83/84/604808384.db2.gz CRHMMCXVPYHCLV-UHFFFAOYSA-N -2 3 399.852 3.230 20 0 GGADHL COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc(OC)c1[O-] ZINC000833726862 605051481 /nfs/dbraw/zinc/05/14/81/605051481.db2.gz KUBRYNDPOLTOLK-ZDUSSCGKSA-N -2 3 379.796 3.009 20 0 GGADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(C4(C(=O)[O-])CC4)cc3)ccc2O1 ZINC000833562637 605124641 /nfs/dbraw/zinc/12/46/41/605124641.db2.gz VWAHLOOUCNKJRH-UHFFFAOYSA-N -2 3 387.457 3.317 20 0 GGADHL CC1(C)CC[C@H]2C[C@H]([N-]S(=O)(=O)c3csnc3C(=O)[O-])c3cccc1c32 ZINC000833559094 605144953 /nfs/dbraw/zinc/14/49/53/605144953.db2.gz UQHKGSVZZRXAIT-GWCFXTLKSA-N -2 3 392.502 3.420 20 0 GGADHL COc1cc(F)c([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])cc1F ZINC000833728718 605152413 /nfs/dbraw/zinc/15/24/13/605152413.db2.gz JKTSUGRJBLZVCY-UHFFFAOYSA-N -2 3 394.355 3.021 20 0 GGADHL CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)cc2[nH]1 ZINC000833451541 605167140 /nfs/dbraw/zinc/16/71/40/605167140.db2.gz WSVQRNOZQOUTOF-UHFFFAOYSA-N -2 3 391.424 3.499 20 0 GGADHL Cc1nc(C)c(CC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)c(=O)[n-]1 ZINC000833754939 605716132 /nfs/dbraw/zinc/71/61/32/605716132.db2.gz QHVHUZCFGOPZHN-CQSZACIVSA-N -2 3 385.203 3.017 20 0 GGADHL COc1ccc(-c2nc(S[C@H](C)C(F)(F)F)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821731408 607224251 /nfs/dbraw/zinc/22/42/51/607224251.db2.gz CPBGZMQKZOVNAG-SSDOTTSWSA-N -2 3 398.370 3.081 20 0 GGADHL O=C(c1cc(F)cc(Cl)c1[O-])N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470210 608560776 /nfs/dbraw/zinc/56/07/76/608560776.db2.gz HUXQUJZZQXNYEG-UHFFFAOYSA-N -2 3 399.813 3.294 20 0 GGADHL O=C(c1cc(F)cc(Cl)c1[O-])N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826470210 608560778 /nfs/dbraw/zinc/56/07/78/608560778.db2.gz HUXQUJZZQXNYEG-UHFFFAOYSA-N -2 3 399.813 3.294 20 0 GGADHL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826322913 609470439 /nfs/dbraw/zinc/47/04/39/609470439.db2.gz HDLVHPKSAGVFLP-UHFFFAOYSA-N -2 3 398.473 3.099 20 0 GGADHL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826322913 609470441 /nfs/dbraw/zinc/47/04/41/609470441.db2.gz HDLVHPKSAGVFLP-UHFFFAOYSA-N -2 3 398.473 3.099 20 0 GGADHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826289047 609524030 /nfs/dbraw/zinc/52/40/30/609524030.db2.gz IGXUYPRRDJOWPL-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826289047 609524032 /nfs/dbraw/zinc/52/40/32/609524032.db2.gz IGXUYPRRDJOWPL-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL O=C([N-]NC(=O)c1cc(Cl)ccc1[O-])c1ccc(COc2ccccc2)o1 ZINC000010600895 1398902892 /nfs/dbraw/zinc/90/28/92/1398902892.db2.gz GOLRRIRMHYZBPA-UHFFFAOYSA-N -2 3 386.791 3.292 20 0 GGADHL O=C([N-][N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1F ZINC000016148691 1399215338 /nfs/dbraw/zinc/21/53/38/1399215338.db2.gz GPJFMEKWPDITJV-UHFFFAOYSA-N -2 3 396.749 3.121 20 0 GGADHL O=C([N-][N-]S(=O)(=O)c1ccc(F)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000016154315 1399216372 /nfs/dbraw/zinc/21/63/72/1399216372.db2.gz NZMUCXIBVBRXJQ-UHFFFAOYSA-N -2 3 386.876 3.005 20 0 GGADHL O=C([N-][N-]S(=O)(=O)c1ccc(OCC2CCCCC2)cc1)C1CCCC1 ZINC000055586774 1407014512 /nfs/dbraw/zinc/01/45/12/1407014512.db2.gz DLRDXZNDUXFWDP-UHFFFAOYSA-N -2 3 380.510 3.145 20 0 GGADHL COCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cc1 ZINC000055588872 1407015409 /nfs/dbraw/zinc/01/54/09/1407015409.db2.gz ABKZWVQUPKTURI-UHFFFAOYSA-N -2 3 393.461 3.334 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(F)cc(F)c3)c2)n1 ZINC000055621151 1407028117 /nfs/dbraw/zinc/02/81/17/1407028117.db2.gz FRGSDQUQOYHUFV-UHFFFAOYSA-N -2 3 391.399 3.078 20 0 GGADHL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1C ZINC000055674187 1407051167 /nfs/dbraw/zinc/05/11/67/1407051167.db2.gz PIUFKRNZNFLEEX-UHFFFAOYSA-N -2 3 390.461 3.378 20 0 GGADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C(C)(C)C)c1 ZINC000028697871 1400187123 /nfs/dbraw/zinc/18/71/23/1400187123.db2.gz FUCIHYGNPOQZHH-UHFFFAOYSA-N -2 3 378.450 3.186 20 0 GGADHL COc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1[N-]S(C)(=O)=O ZINC000029817450 1400357686 /nfs/dbraw/zinc/35/76/86/1400357686.db2.gz CDGWAVJOLUYASI-UHFFFAOYSA-N -2 3 386.429 3.178 20 0 GGADHL O=C([N-][N-]S(=O)(=O)c1ccc(F)cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000044254261 1403909394 /nfs/dbraw/zinc/90/93/94/1403909394.db2.gz NSXZIMHBJAJHTQ-UHFFFAOYSA-N -2 3 386.876 3.005 20 0 GGADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)c(F)c1 ZINC000057115640 1407522428 /nfs/dbraw/zinc/52/24/28/1407522428.db2.gz LDPVUFQAEMNSLB-UHFFFAOYSA-N -2 3 394.449 3.151 20 0 GGADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC000057123686 1407526925 /nfs/dbraw/zinc/52/69/25/1407526925.db2.gz WCPDFLJOGNUPFJ-NSHDSACASA-N -3 3 393.417 3.061 20 0 GGADHL COCCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])cc1C ZINC000060360596 1407960130 /nfs/dbraw/zinc/96/01/30/1407960130.db2.gz SNTIPQXSVRDXEG-UHFFFAOYSA-N -2 3 393.461 3.136 20 0 GGADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000064938298 1408630459 /nfs/dbraw/zinc/63/04/59/1408630459.db2.gz HAIZEBURVMDDJH-UHFFFAOYSA-N -2 3 391.445 3.126 20 0 GGADHL CCOc1cc([N-]S(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)ccc1C ZINC000068076936 1409293460 /nfs/dbraw/zinc/29/34/60/1409293460.db2.gz ULKBNBNKFPBTEP-UHFFFAOYSA-N -2 3 379.434 3.291 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1-n1cccc1C(=O)[O-] ZINC000068076634 1409293553 /nfs/dbraw/zinc/29/35/53/1409293553.db2.gz QFVOOJABOKSXAE-UHFFFAOYSA-N -2 3 398.440 3.315 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc1C(=O)[O-] ZINC000078789959 1409936986 /nfs/dbraw/zinc/93/69/86/1409936986.db2.gz DJXNXOSXPMOIRW-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)ccc21 ZINC000111136132 1411890458 /nfs/dbraw/zinc/89/04/58/1411890458.db2.gz LFTVZTLVPIRGRN-UHFFFAOYSA-N -2 3 394.408 3.163 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc(C(=O)[O-])c1C ZINC000120937105 1413953319 /nfs/dbraw/zinc/95/33/19/1413953319.db2.gz SIABQCPKLASVJT-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1CC1 ZINC000121711102 1414232276 /nfs/dbraw/zinc/23/22/76/1414232276.db2.gz OLDFPQUJERJDAO-UHFFFAOYSA-N -2 3 394.880 3.471 20 0 GGADHL CC(C)(NC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C1CC1 ZINC000819988223 1428867187 /nfs/dbraw/zinc/86/71/87/1428867187.db2.gz USHIFBGVFOHXHD-UHFFFAOYSA-N -2 3 383.481 3.224 20 0 GGADHL CC(C)(NC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C1CC1 ZINC000819988223 1428867189 /nfs/dbraw/zinc/86/71/89/1428867189.db2.gz USHIFBGVFOHXHD-UHFFFAOYSA-N -2 3 383.481 3.224 20 0 GGADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(Cl)cc1F ZINC000823583172 1428921210 /nfs/dbraw/zinc/92/12/10/1428921210.db2.gz KBNXXOYMDAXZTB-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000735735189 1428954553 /nfs/dbraw/zinc/95/45/53/1428954553.db2.gz LSUPKDLRCJSCNH-INIZCTEOSA-N -2 3 387.827 3.268 20 0 GGADHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000735735189 1428954556 /nfs/dbraw/zinc/95/45/56/1428954556.db2.gz LSUPKDLRCJSCNH-INIZCTEOSA-N -2 3 387.827 3.268 20 0 GGADHL Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000134215519 1417038690 /nfs/dbraw/zinc/03/86/90/1417038690.db2.gz GJNKIMXCPAOWRK-UHFFFAOYSA-N -2 3 394.353 3.347 20 0 GGADHL Cc1nsc([N-]C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)n1 ZINC000822535525 1429424492 /nfs/dbraw/zinc/42/44/92/1429424492.db2.gz VIABIWRRMKTXDJ-UHFFFAOYSA-N -2 3 379.405 3.071 20 0 GGADHL Cc1nsc([N-]C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000822535525 1429424497 /nfs/dbraw/zinc/42/44/97/1429424497.db2.gz VIABIWRRMKTXDJ-UHFFFAOYSA-N -2 3 379.405 3.071 20 0 GGADHL COc1ccc(-c2csc([N-]C(=O)Cc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000821733005 1429479276 /nfs/dbraw/zinc/47/92/76/1429479276.db2.gz XQIZHODRBHKMFG-UHFFFAOYSA-N -2 3 392.444 3.180 20 0 GGADHL COc1ccc(-c2csc([N-]C(=O)Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000821733005 1429479279 /nfs/dbraw/zinc/47/92/79/1429479279.db2.gz XQIZHODRBHKMFG-UHFFFAOYSA-N -2 3 392.444 3.180 20 0 GGADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(Cl)ccc1[O-] ZINC000737930679 1429578796 /nfs/dbraw/zinc/57/87/96/1429578796.db2.gz DCLVNVUQVUGGRY-UHFFFAOYSA-N -2 3 375.841 3.098 20 0 GGADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(Cl)ccc1[O-] ZINC000737930679 1429578799 /nfs/dbraw/zinc/57/87/99/1429578799.db2.gz DCLVNVUQVUGGRY-UHFFFAOYSA-N -2 3 375.841 3.098 20 0 GGADHL O=C([N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@H]1COc2ccccc21 ZINC000826459226 1429712507 /nfs/dbraw/zinc/71/25/07/1429712507.db2.gz AKAPCJINDJJYMB-AWEZNQCLSA-N -2 3 390.428 3.105 20 0 GGADHL O=C([N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@H]1COc2ccccc21 ZINC000826459226 1429712510 /nfs/dbraw/zinc/71/25/10/1429712510.db2.gz AKAPCJINDJJYMB-AWEZNQCLSA-N -2 3 390.428 3.105 20 0 GGADHL O=C(Nc1c([O-])cccc1F)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823290360 1424693688 /nfs/dbraw/zinc/69/36/88/1424693688.db2.gz XACIYMGEIAGBGU-UHFFFAOYSA-N -2 3 395.350 3.136 20 0 GGADHL O=C(Nc1c([O-])cccc1F)c1ccc(COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000823290360 1424693691 /nfs/dbraw/zinc/69/36/91/1424693691.db2.gz XACIYMGEIAGBGU-UHFFFAOYSA-N -2 3 395.350 3.136 20 0 GGADHL Cc1nc(-c2ccccc2)sc1[N-]C(=O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000826323161 1424716484 /nfs/dbraw/zinc/71/64/84/1424716484.db2.gz SNZLGMSJOPHQHR-UHFFFAOYSA-N -2 3 392.444 3.316 20 0 GGADHL Cc1nc(-c2ccccc2)sc1[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826323161 1424716491 /nfs/dbraw/zinc/71/64/91/1424716491.db2.gz SNZLGMSJOPHQHR-UHFFFAOYSA-N -2 3 392.444 3.316 20 0 GGADHL Cc1c([O-])ccc2c(CSc3ccc(-c4nn[n-]n4)cc3F)cc(=O)oc12 ZINC000737220412 1424960414 /nfs/dbraw/zinc/96/04/14/1424960414.db2.gz XCYSUASSCJESHC-UHFFFAOYSA-N -2 3 384.392 3.419 20 0 GGADHL Cc1c([O-])ccc2c(CSc3ccc(-c4nnn[n-]4)cc3F)cc(=O)oc12 ZINC000737220412 1424960422 /nfs/dbraw/zinc/96/04/22/1424960422.db2.gz XCYSUASSCJESHC-UHFFFAOYSA-N -2 3 384.392 3.419 20 0 GGADHL COCCC1(C(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCC1 ZINC000826155638 1424977357 /nfs/dbraw/zinc/97/73/57/1424977357.db2.gz WYBIHSIUSUEVKO-UHFFFAOYSA-N -2 3 384.465 3.136 20 0 GGADHL COCCC1(C(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCC1 ZINC000826155638 1424977364 /nfs/dbraw/zinc/97/73/64/1424977364.db2.gz WYBIHSIUSUEVKO-UHFFFAOYSA-N -2 3 384.465 3.136 20 0 GGADHL O=C(CCc1ccccc1O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826409418 1425069350 /nfs/dbraw/zinc/06/93/50/1425069350.db2.gz XXNVRAOLGUCPRW-UHFFFAOYSA-N -2 3 392.444 3.267 20 0 GGADHL O=C(CCc1ccccc1O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826409418 1425069359 /nfs/dbraw/zinc/06/93/59/1425069359.db2.gz XXNVRAOLGUCPRW-UHFFFAOYSA-N -2 3 392.444 3.267 20 0 GGADHL O=C([N-]c1cc(-c2ccccc2)ns1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823257721 1425803943 /nfs/dbraw/zinc/80/39/43/1425803943.db2.gz SZFRVAPHLIUVIK-UHFFFAOYSA-N -2 3 377.433 3.312 20 0 GGADHL O=C([N-]c1cc(-c2ccccc2)ns1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823257721 1425803951 /nfs/dbraw/zinc/80/39/51/1425803951.db2.gz SZFRVAPHLIUVIK-UHFFFAOYSA-N -2 3 377.433 3.312 20 0 GGADHL CCC1(NC(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCC1 ZINC000820966912 1425973941 /nfs/dbraw/zinc/97/39/41/1425973941.db2.gz IQRPXVYJYXBGOD-UHFFFAOYSA-N -2 3 383.481 3.368 20 0 GGADHL CCC1(NC(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCC1 ZINC000820966912 1425973948 /nfs/dbraw/zinc/97/39/48/1425973948.db2.gz IQRPXVYJYXBGOD-UHFFFAOYSA-N -2 3 383.481 3.368 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1C(C)C ZINC000432945733 1426137124 /nfs/dbraw/zinc/13/71/24/1426137124.db2.gz ACSDPMUUBGDUJM-UHFFFAOYSA-N -2 3 387.465 3.108 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1C(C)C ZINC000432945733 1426137130 /nfs/dbraw/zinc/13/71/30/1426137130.db2.gz ACSDPMUUBGDUJM-UHFFFAOYSA-N -2 3 387.465 3.108 20 0 GGADHL O=C(CSc1ccc(-c2nnn[n-]2)cc1F)[N-]c1nc2ccccc2s1 ZINC000737946945 1426503741 /nfs/dbraw/zinc/50/37/41/1426503741.db2.gz JSJYOPOKXLTRDO-UHFFFAOYSA-N -2 3 386.437 3.346 20 0 GGADHL O=C(CSc1ccc(-c2nn[n-]n2)cc1F)[N-]c1nc2ccccc2s1 ZINC000737946945 1426503747 /nfs/dbraw/zinc/50/37/47/1426503747.db2.gz JSJYOPOKXLTRDO-UHFFFAOYSA-N -2 3 386.437 3.346 20 0 GGADHL C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000824737338 1426516943 /nfs/dbraw/zinc/51/69/43/1426516943.db2.gz FEPXYFUNZZRCLV-GFCCVEGCSA-N -2 3 392.444 3.396 20 0 GGADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000824737338 1426516949 /nfs/dbraw/zinc/51/69/49/1426516949.db2.gz FEPXYFUNZZRCLV-GFCCVEGCSA-N -2 3 392.444 3.396 20 0 GGADHL COc1ccccc1CC(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826219964 1426593082 /nfs/dbraw/zinc/59/30/82/1426593082.db2.gz XMBQJRYCUYTGDS-UHFFFAOYSA-N -2 3 392.444 3.180 20 0 GGADHL COc1ccccc1CC(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826219964 1426593091 /nfs/dbraw/zinc/59/30/91/1426593091.db2.gz XMBQJRYCUYTGDS-UHFFFAOYSA-N -2 3 392.444 3.180 20 0 GGADHL Cc1cc(=O)[n-]c(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000822210643 1427166968 /nfs/dbraw/zinc/16/69/68/1427166968.db2.gz LLZOGXSGFGJJMB-UHFFFAOYSA-N -2 3 377.433 3.025 20 0 GGADHL Cc1cc(=O)[n-]c(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)n1 ZINC000822210643 1427166973 /nfs/dbraw/zinc/16/69/73/1427166973.db2.gz LLZOGXSGFGJJMB-UHFFFAOYSA-N -2 3 377.433 3.025 20 0 GGADHL CC(C)c1cnc([N-]C(=O)[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735932471 1427220423 /nfs/dbraw/zinc/22/04/23/1427220423.db2.gz MCUHTWMVTWEZDD-AWEZNQCLSA-N -2 3 383.481 3.054 20 0 GGADHL CC(C)c1cnc([N-]C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735932471 1427220429 /nfs/dbraw/zinc/22/04/29/1427220429.db2.gz MCUHTWMVTWEZDD-AWEZNQCLSA-N -2 3 383.481 3.054 20 0 GGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000820177895 1427335280 /nfs/dbraw/zinc/33/52/80/1427335280.db2.gz COHVLKUSDZZQOE-UHFFFAOYSA-N -2 3 393.856 3.108 20 0 GGADHL O=C(Nc1ncccc1[O-])c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823383299 1427365866 /nfs/dbraw/zinc/36/58/66/1427365866.db2.gz PEFWBHAFZVUDDL-UHFFFAOYSA-N -2 3 390.428 3.371 20 0 GGADHL O=C(Nc1ncccc1[O-])c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000823383299 1427365873 /nfs/dbraw/zinc/36/58/73/1427365873.db2.gz PEFWBHAFZVUDDL-UHFFFAOYSA-N -2 3 390.428 3.371 20 0 GGADHL O=C(CCCCc1nc2ccccc2s1)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000822955299 1427434535 /nfs/dbraw/zinc/43/45/35/1427434535.db2.gz PEVKTFCOTRNJKB-UHFFFAOYSA-N -2 3 385.478 3.284 20 0 GGADHL O=C(CCCCc1nc2ccccc2s1)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822955299 1427434543 /nfs/dbraw/zinc/43/45/43/1427434543.db2.gz PEVKTFCOTRNJKB-UHFFFAOYSA-N -2 3 385.478 3.284 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826288981 1427510006 /nfs/dbraw/zinc/51/00/06/1427510006.db2.gz FQWLJPMNLPUHHS-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826288981 1427510013 /nfs/dbraw/zinc/51/00/13/1427510013.db2.gz FQWLJPMNLPUHHS-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)c(C)c1 ZINC000822209437 1427879432 /nfs/dbraw/zinc/87/94/32/1427879432.db2.gz JARROHNZVOGUFR-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)c(C)c1 ZINC000822209437 1427879438 /nfs/dbraw/zinc/87/94/38/1427879438.db2.gz JARROHNZVOGUFR-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL O=S(=O)([N-]c1ccc(CCC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823589051 1428019282 /nfs/dbraw/zinc/01/92/82/1428019282.db2.gz KDABANDBTDOPMD-UHFFFAOYSA-N -2 3 397.382 3.162 20 0 GGADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000826250724 1428150386 /nfs/dbraw/zinc/15/03/86/1428150386.db2.gz PDIWDTIIKIBUOB-UHFFFAOYSA-N -2 3 395.473 3.430 20 0 GGADHL O=C(CC1CCSCC1)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000822946109 1430004719 /nfs/dbraw/zinc/00/47/19/1430004719.db2.gz VENMZLQBVWIVCH-UHFFFAOYSA-N -2 3 386.506 3.462 20 0 GGADHL O=C(CC1CCSCC1)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822946109 1430004728 /nfs/dbraw/zinc/00/47/28/1430004728.db2.gz VENMZLQBVWIVCH-UHFFFAOYSA-N -2 3 386.506 3.462 20 0 GGADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]Cc2ccc(Cl)nc2)c1 ZINC000184899974 1431016605 /nfs/dbraw/zinc/01/66/05/1431016605.db2.gz BLQGOBIGAZCARH-UHFFFAOYSA-N -2 3 395.651 3.219 20 0 GGADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)C2CC2)s1 ZINC000185069060 1431053466 /nfs/dbraw/zinc/05/34/66/1431053466.db2.gz WAKWBJHLEYSZRS-CQSZACIVSA-N -2 3 384.454 3.027 20 0 GGADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1c([O-])cccc1F ZINC000185311953 1431109783 /nfs/dbraw/zinc/10/97/83/1431109783.db2.gz GCBPIJUMYMBDQI-UHFFFAOYSA-N -2 3 392.330 3.174 20 0 GGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 ZINC000190728767 1432458909 /nfs/dbraw/zinc/45/89/09/1432458909.db2.gz XHUQBUUIHZQAHP-UHFFFAOYSA-N -2 3 394.193 3.158 20 0 GGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1cc(Br)c(F)cc1F ZINC000192211227 1432816934 /nfs/dbraw/zinc/81/69/34/1432816934.db2.gz PGGGBSJSQXEPCV-UHFFFAOYSA-N -2 3 379.164 3.427 20 0 GGADHL CCc1c(C(=O)[N-]N=c2cnc3ccccc3[n-]2)nnn1-c1cccc(Cl)c1 ZINC000193479360 1433006080 /nfs/dbraw/zinc/00/60/80/1433006080.db2.gz ZAPZCRRLYOSECO-UHFFFAOYSA-N -2 3 393.838 3.183 20 0 GGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1ccc([N+](=O)[O-])cc1Br ZINC000193540391 1433016866 /nfs/dbraw/zinc/01/68/66/1433016866.db2.gz FLLSFSSWHAMSIT-UHFFFAOYSA-N -2 3 388.181 3.057 20 0 GGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000193556574 1433019374 /nfs/dbraw/zinc/01/93/74/1433019374.db2.gz GBSQNQSOTRMXDF-UHFFFAOYSA-N -2 3 388.181 3.057 20 0 GGADHL Cc1cc(Br)c([O-])c(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)c1 ZINC000194462917 1433182337 /nfs/dbraw/zinc/18/23/37/1433182337.db2.gz UHPJLIFEGRLIBA-JTQLQIEISA-N -2 3 397.191 3.105 20 0 GGADHL Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000268133629 1434496988 /nfs/dbraw/zinc/49/69/88/1434496988.db2.gz OYMAHDXMDHRQDO-UHFFFAOYSA-N -2 3 388.445 3.151 20 0 GGADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c(C)c1 ZINC000270107745 1434703592 /nfs/dbraw/zinc/70/35/92/1434703592.db2.gz YGULXIKZRHEADF-UHFFFAOYSA-N -2 3 393.461 3.136 20 0 GGADHL CCO[C@@H](CC(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(C)C ZINC000825576603 1441444635 /nfs/dbraw/zinc/44/46/35/1441444635.db2.gz LPXIBBGSLOCNHD-HNNXBMFYSA-N -2 3 386.481 3.380 20 0 GGADHL CCO[C@@H](CC(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(C)C ZINC000825576603 1441444637 /nfs/dbraw/zinc/44/46/37/1441444637.db2.gz LPXIBBGSLOCNHD-HNNXBMFYSA-N -2 3 386.481 3.380 20 0 GGADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000737223730 1441830467 /nfs/dbraw/zinc/83/04/67/1441830467.db2.gz DKKUQIOGOHUWQV-UHFFFAOYSA-N -2 3 399.476 3.297 20 0 GGADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000737223730 1441830469 /nfs/dbraw/zinc/83/04/69/1441830469.db2.gz DKKUQIOGOHUWQV-UHFFFAOYSA-N -2 3 399.476 3.297 20 0 GGADHL C[C@H](NC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1ccc[nH]1 ZINC000824505910 1442087531 /nfs/dbraw/zinc/08/75/31/1442087531.db2.gz JRYHHMGSQGPNKD-NSHDSACASA-N -2 3 394.464 3.125 20 0 GGADHL C[C@H](NC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1ccc[nH]1 ZINC000824505910 1442087535 /nfs/dbraw/zinc/08/75/35/1442087535.db2.gz JRYHHMGSQGPNKD-NSHDSACASA-N -2 3 394.464 3.125 20 0 GGADHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000735735182 1442273927 /nfs/dbraw/zinc/27/39/27/1442273927.db2.gz LQYKKVXQZOXLEA-INIZCTEOSA-N -2 3 387.827 3.268 20 0 GGADHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000735735182 1442273932 /nfs/dbraw/zinc/27/39/32/1442273932.db2.gz LQYKKVXQZOXLEA-INIZCTEOSA-N -2 3 387.827 3.268 20 0 GGADHL O=C(CCc1cscn1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826409198 1442327244 /nfs/dbraw/zinc/32/72/44/1442327244.db2.gz MRFQSLRNMSJLBF-UHFFFAOYSA-N -2 3 383.462 3.018 20 0 GGADHL O=C(CCc1cscn1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826409198 1442327246 /nfs/dbraw/zinc/32/72/46/1442327246.db2.gz MRFQSLRNMSJLBF-UHFFFAOYSA-N -2 3 383.462 3.018 20 0 GGADHL O=C(COc1ccc(-c2nnn[n-]2)cc1)[N-]c1cc(-c2ccccc2)ns1 ZINC000737919522 1443241059 /nfs/dbraw/zinc/24/10/59/1443241059.db2.gz UTDYCMDOBOHHTJ-UHFFFAOYSA-N -2 3 378.417 3.008 20 0 GGADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]c1cc(-c2ccccc2)ns1 ZINC000737919522 1443241062 /nfs/dbraw/zinc/24/10/62/1443241062.db2.gz UTDYCMDOBOHHTJ-UHFFFAOYSA-N -2 3 378.417 3.008 20 0 GGADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]c1nc(-c2cccc(O)c2)cs1 ZINC000737852067 1443808075 /nfs/dbraw/zinc/80/80/75/1443808075.db2.gz BCLZNOYIDQGMIH-UHFFFAOYSA-N -2 3 392.444 3.267 20 0 GGADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]c1nc(-c2cccc(O)c2)cs1 ZINC000737852067 1443808077 /nfs/dbraw/zinc/80/80/77/1443808077.db2.gz BCLZNOYIDQGMIH-UHFFFAOYSA-N -2 3 392.444 3.267 20 0 GGADHL Cc1ccncc1C=CC(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826315521 1446255970 /nfs/dbraw/zinc/25/59/70/1446255970.db2.gz LUFMGUVGCUKSBT-WAYWQWQTSA-N -2 3 389.444 3.346 20 0 GGADHL Cc1ccncc1C=CC(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826315521 1446255973 /nfs/dbraw/zinc/25/59/73/1446255973.db2.gz LUFMGUVGCUKSBT-WAYWQWQTSA-N -2 3 389.444 3.346 20 0 GGADHL O=C(CCCc1nnn[n-]1)[N-]c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001150821203 1446365830 /nfs/dbraw/zinc/36/58/30/1446365830.db2.gz WFRKKJPCKMNFJM-UHFFFAOYSA-N -2 3 382.371 3.303 20 0 GGADHL O=C(CCCc1nn[n-]n1)[N-]c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC001150821203 1446365836 /nfs/dbraw/zinc/36/58/36/1446365836.db2.gz WFRKKJPCKMNFJM-UHFFFAOYSA-N -2 3 382.371 3.303 20 0 GGADHL CC1(C)[C@@H]2CN(C(=O)[N-]c3ncc(Cc4ccc(-c5nnn[n-]5)cc4)s3)C[C@@H]21 ZINC000820584310 1446371080 /nfs/dbraw/zinc/37/10/80/1446371080.db2.gz HWNKCDNWCWTUIB-GASCZTMLSA-N -2 3 395.492 3.034 20 0 GGADHL CC1(C)[C@@H]2CN(C(=O)[N-]c3ncc(Cc4ccc(-c5nn[n-]n5)cc4)s3)C[C@@H]21 ZINC000820584310 1446371084 /nfs/dbraw/zinc/37/10/84/1446371084.db2.gz HWNKCDNWCWTUIB-GASCZTMLSA-N -2 3 395.492 3.034 20 0 GGADHL Cc1nc([N-]C(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)sc1C ZINC000737480357 1446413928 /nfs/dbraw/zinc/41/39/28/1446413928.db2.gz NZXHBJWUDMENQA-VIFPVBQESA-N -2 3 378.458 3.198 20 0 GGADHL Cc1nc([N-]C(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2F)sc1C ZINC000737480357 1446413929 /nfs/dbraw/zinc/41/39/29/1446413929.db2.gz NZXHBJWUDMENQA-VIFPVBQESA-N -2 3 378.458 3.198 20 0 GGADHL C[C@H](C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)N1CCCCCC1 ZINC000824045212 1446419772 /nfs/dbraw/zinc/41/97/72/1446419772.db2.gz JECHYLCKNWXGIR-CYBMUJFWSA-N -2 3 397.508 3.193 20 0 GGADHL CCCN(C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C1CC1 ZINC000736469368 1446701201 /nfs/dbraw/zinc/70/12/01/1446701201.db2.gz NZPKRPIOAFLDAJ-UHFFFAOYSA-N -2 3 383.481 3.320 20 0 GGADHL CCCN(C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C1CC1 ZINC000736469368 1446701206 /nfs/dbraw/zinc/70/12/06/1446701206.db2.gz NZPKRPIOAFLDAJ-UHFFFAOYSA-N -2 3 383.481 3.320 20 0 GGADHL CC(C)OCCCC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824309471 1446732734 /nfs/dbraw/zinc/73/27/34/1446732734.db2.gz PWPZHSLSFZQAFQ-UHFFFAOYSA-N -2 3 386.481 3.058 20 0 GGADHL CC(C)OCCCC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824309471 1446732738 /nfs/dbraw/zinc/73/27/38/1446732738.db2.gz PWPZHSLSFZQAFQ-UHFFFAOYSA-N -2 3 386.481 3.058 20 0 GGADHL CC(C)[C@H]1CCN1C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824224705 1446840095 /nfs/dbraw/zinc/84/00/95/1446840095.db2.gz QBGGJZOGAOVVES-OAHLLOKOSA-N -2 3 383.481 3.176 20 0 GGADHL CC(C)[C@H]1CCN1C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824224705 1446840097 /nfs/dbraw/zinc/84/00/97/1446840097.db2.gz QBGGJZOGAOVVES-OAHLLOKOSA-N -2 3 383.481 3.176 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)[C@H]1CCCCS1 ZINC000826460317 1446841203 /nfs/dbraw/zinc/84/12/03/1446841203.db2.gz XOHAGYXCYFIYBV-CQSZACIVSA-N -2 3 386.506 3.138 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)[C@H]1CCCCS1 ZINC000826460317 1446841205 /nfs/dbraw/zinc/84/12/05/1446841205.db2.gz XOHAGYXCYFIYBV-CQSZACIVSA-N -2 3 386.506 3.138 20 0 GGADHL CC(C)Cc1ccc(C(=O)CCC(=O)[N-]c2ncc(-c3nn[n-]n3)s2)cc1 ZINC000820107705 1446959427 /nfs/dbraw/zinc/95/94/27/1446959427.db2.gz ACSUEHZJUDSFKA-UHFFFAOYSA-N -2 3 384.465 3.123 20 0 GGADHL CC(C)Cc1ccc(C(=O)CCC(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000820107705 1446959431 /nfs/dbraw/zinc/95/94/31/1446959431.db2.gz ACSUEHZJUDSFKA-UHFFFAOYSA-N -2 3 384.465 3.123 20 0 GGADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)nc2)n1 ZINC000821469624 1446970160 /nfs/dbraw/zinc/97/01/60/1446970160.db2.gz HNJAXUQOVGFENE-GFCCVEGCSA-N -2 3 388.435 3.160 20 0 GGADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3cccc(-c4nn[n-]n4)c3)nc2)n1 ZINC000821469624 1446970163 /nfs/dbraw/zinc/97/01/63/1446970163.db2.gz HNJAXUQOVGFENE-GFCCVEGCSA-N -2 3 388.435 3.160 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)cc1C(F)(F)F ZINC000822266794 1447129020 /nfs/dbraw/zinc/12/90/20/1447129020.db2.gz IXARNCGMWDODGB-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)cc1C(F)(F)F ZINC000822266794 1447129024 /nfs/dbraw/zinc/12/90/24/1447129024.db2.gz IXARNCGMWDODGB-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL C[C@H](C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C(F)(F)F ZINC000819877394 1447133377 /nfs/dbraw/zinc/13/33/77/1447133377.db2.gz VEAGAWAXRZCEBV-MRVPVSSYSA-N -2 3 382.371 3.051 20 0 GGADHL C[C@H](C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C(F)(F)F ZINC000819877394 1447133380 /nfs/dbraw/zinc/13/33/80/1447133380.db2.gz VEAGAWAXRZCEBV-MRVPVSSYSA-N -2 3 382.371 3.051 20 0 GGADHL C[C@@H](C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1ccco1 ZINC000735571568 1447155558 /nfs/dbraw/zinc/15/55/58/1447155558.db2.gz YZOCWCBSFSJLRY-LLVKDONJSA-N -2 3 380.433 3.249 20 0 GGADHL C[C@@H](C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1ccco1 ZINC000735571568 1447155562 /nfs/dbraw/zinc/15/55/62/1447155562.db2.gz YZOCWCBSFSJLRY-LLVKDONJSA-N -2 3 380.433 3.249 20 0 GGADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)nc2)n1 ZINC000736678744 1449868795 /nfs/dbraw/zinc/86/87/95/1449868795.db2.gz HKQJBCYLAYPLSH-GFCCVEGCSA-N -2 3 388.435 3.160 20 0 GGADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)nc2)n1 ZINC000736678744 1449868804 /nfs/dbraw/zinc/86/88/04/1449868804.db2.gz HKQJBCYLAYPLSH-GFCCVEGCSA-N -2 3 388.435 3.160 20 0 GGADHL CCN(C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C1CCC1 ZINC000736506339 1449981859 /nfs/dbraw/zinc/98/18/59/1449981859.db2.gz UVLOXPJUBVDSDG-UHFFFAOYSA-N -2 3 383.481 3.320 20 0 GGADHL CCN(C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C1CCC1 ZINC000736506339 1449981862 /nfs/dbraw/zinc/98/18/62/1449981862.db2.gz UVLOXPJUBVDSDG-UHFFFAOYSA-N -2 3 383.481 3.320 20 0 GGADHL Cc1ccccc1-c1csc([N-]C(=O)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822345389 1450156692 /nfs/dbraw/zinc/15/66/92/1450156692.db2.gz HVHMAGOLXRRESH-UHFFFAOYSA-N -2 3 376.445 3.480 20 0 GGADHL Cc1ccccc1-c1csc([N-]C(=O)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822345389 1450156699 /nfs/dbraw/zinc/15/66/99/1450156699.db2.gz HVHMAGOLXRRESH-UHFFFAOYSA-N -2 3 376.445 3.480 20 0 GGADHL O=C(Cc1ccc(F)c(F)c1)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000823082604 1450340035 /nfs/dbraw/zinc/34/00/35/1450340035.db2.gz LPIKACPOVOOPOZ-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL O=C(Cc1ccc(F)c(F)c1)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000823082604 1450340037 /nfs/dbraw/zinc/34/00/37/1450340037.db2.gz LPIKACPOVOOPOZ-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)N[C@H](C(=O)[O-])c3cccs3)cc2)cc(=O)[n-]1 ZINC000583909016 939793843 /nfs/dbraw/zinc/79/38/43/939793843.db2.gz GMKWUWACNILZCE-INIZCTEOSA-N -2 3 384.417 3.167 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)N[C@@H](C(=O)[O-])c3ccccc3F)cc2)cc(=O)[n-]1 ZINC000683921441 939871218 /nfs/dbraw/zinc/87/12/18/939871218.db2.gz VYZYHDWBWQAWNW-GOSISDBHSA-N -2 3 396.378 3.244 20 0 GGADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCSc2ccc(Cl)cc21 ZINC000322814799 970931163 /nfs/dbraw/zinc/93/11/63/970931163.db2.gz FQJXJJXIXMVQQV-VIFPVBQESA-N -2 3 390.895 3.010 20 0 GGADHL Cc1nc(C)c(CCC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)c(=O)[n-]1 ZINC001611232641 970947085 /nfs/dbraw/zinc/94/70/85/970947085.db2.gz ONOCPBHDCFEYNM-VIFPVBQESA-N -2 3 389.477 3.255 20 0 GGADHL COc1cccc(C(=O)Nc2cc(C(=O)[O-])c(Br)cc2C)c1[O-] ZINC000323297503 970987228 /nfs/dbraw/zinc/98/72/28/970987228.db2.gz AOTUWEPEKOVTPW-UHFFFAOYSA-N -2 3 380.194 3.422 20 0 GGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CCc2cccc(Cl)c2)c1F ZINC000323959958 971066107 /nfs/dbraw/zinc/06/61/07/971066107.db2.gz RRKGKJAVTHDDRU-UHFFFAOYSA-N -2 3 392.235 3.352 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)c1cccs1 ZINC000325386690 971211002 /nfs/dbraw/zinc/21/10/02/971211002.db2.gz LJCLYVPHSFXZQU-UHFFFAOYSA-N -2 3 391.873 3.495 20 0 GGADHL C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001575511018 949129946 /nfs/dbraw/zinc/12/99/46/949129946.db2.gz JKIPOQULNYFASF-SNVBAGLBSA-N -2 3 380.433 3.130 20 0 GGADHL C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001575511018 949129961 /nfs/dbraw/zinc/12/99/61/949129961.db2.gz JKIPOQULNYFASF-SNVBAGLBSA-N -2 3 380.433 3.130 20 0 GGADHL CC(C)[C@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)c([O-])c3)sc2C1 ZINC001574098830 949166966 /nfs/dbraw/zinc/16/69/66/949166966.db2.gz GGJLCTUJEOAMSB-JTQLQIEISA-N -2 3 384.465 3.042 20 0 GGADHL CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccc(-c4nn[n-]n4)c([O-])c3)sc2C1 ZINC001573827167 949915325 /nfs/dbraw/zinc/91/53/25/949915325.db2.gz KNEGLSASWBKMRM-LLVKDONJSA-N -2 3 398.492 3.432 20 0 GGADHL O=C([O-])CC1([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCCCC1 ZINC001594984882 951017047 /nfs/dbraw/zinc/01/70/47/951017047.db2.gz YTLYCELVIIQFMY-UHFFFAOYSA-N -2 3 380.491 3.266 20 0 GGADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC001602861633 971723080 /nfs/dbraw/zinc/72/30/80/971723080.db2.gz FHIKMMHDMPRCMC-LLVKDONJSA-N -2 3 385.379 3.402 20 0 GGADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC001602861709 971723856 /nfs/dbraw/zinc/72/38/56/971723856.db2.gz IWXIQDQHKSATGH-NSHDSACASA-N -2 3 396.278 3.146 20 0 GGADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC001602862014 971727369 /nfs/dbraw/zinc/72/73/69/971727369.db2.gz ZIDMXLRZTCTJTI-CYBMUJFWSA-N -2 3 382.507 3.368 20 0 GGADHL O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC001595024995 951337727 /nfs/dbraw/zinc/33/77/27/951337727.db2.gz VZTYXFIRWWECHX-CYBMUJFWSA-N -2 3 377.400 3.019 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCc2cccc(C(=O)[O-])c2)s1 ZINC001602911647 971860362 /nfs/dbraw/zinc/86/03/62/971860362.db2.gz VVNKIDUPNCFVOY-UHFFFAOYSA-N -2 3 377.422 3.118 20 0 GGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000547568802 953575239 /nfs/dbraw/zinc/57/52/39/953575239.db2.gz IDPAZRBMXORNND-HNNXBMFYSA-N -2 3 381.356 3.124 20 0 GGADHL CCN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)[C@@H](C)C(=O)[O-] ZINC000662216290 954385516 /nfs/dbraw/zinc/38/55/16/954385516.db2.gz OGDVOSRZNJYZKA-JTQLQIEISA-N -2 3 375.425 3.086 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCCCCC1 ZINC001594883162 954444631 /nfs/dbraw/zinc/44/46/31/954444631.db2.gz JFIPPFYJCITAHS-UHFFFAOYSA-N -2 3 383.363 3.300 20 0 GGADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1 ZINC000386218777 972036748 /nfs/dbraw/zinc/03/67/48/972036748.db2.gz NVXGSRDWXLWAMN-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1c2ncsc2ccc1Cl)CC(=O)[O-] ZINC001603048427 972114514 /nfs/dbraw/zinc/11/45/14/972114514.db2.gz XFXUCGPBNJZQIW-JTQLQIEISA-N -2 3 390.914 3.365 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)cc1 ZINC000010516535 956890141 /nfs/dbraw/zinc/89/01/41/956890141.db2.gz ZLJHWXGKCQHFTQ-UHFFFAOYSA-N -2 3 389.351 3.435 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCCC1 ZINC000013262900 957000427 /nfs/dbraw/zinc/00/04/27/957000427.db2.gz BZFXKWZVFCDWPZ-UHFFFAOYSA-N -2 3 385.791 3.425 20 0 GGADHL O=C([O-])[C@H]1C[C@H](NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c2ccccc21 ZINC001594726844 957014962 /nfs/dbraw/zinc/01/49/62/957014962.db2.gz PAUQCZOZHPMXRU-BBRMVZONSA-N -2 3 382.803 3.225 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1 ZINC000024432670 957159284 /nfs/dbraw/zinc/15/92/84/957159284.db2.gz GHYUEXJKAJOETC-UHFFFAOYSA-N -2 3 390.461 3.479 20 0 GGADHL CCCCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329570 957545309 /nfs/dbraw/zinc/54/53/09/957545309.db2.gz ZCRXBVCJSRWLIV-SECBINFHSA-N -2 3 382.276 3.378 20 0 GGADHL CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329573 957545618 /nfs/dbraw/zinc/54/56/18/957545618.db2.gz ZIIRFSRDOZEKDE-UHFFFAOYSA-N -2 3 382.276 3.233 20 0 GGADHL C[C@](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001603193010 972295916 /nfs/dbraw/zinc/29/59/16/972295916.db2.gz FRDJSSNRLHTGFQ-MRXNPFEDSA-N -2 3 388.272 3.314 20 0 GGADHL C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000390887321 972306258 /nfs/dbraw/zinc/30/62/58/972306258.db2.gz XRBPHGLBBBGMJW-MRVPVSSYSA-N -2 3 377.846 3.148 20 0 GGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)cc1 ZINC000176463418 959422059 /nfs/dbraw/zinc/42/20/59/959422059.db2.gz GJNBYVIXHFWHFZ-UHFFFAOYSA-N -2 3 397.412 3.251 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603255848 972433252 /nfs/dbraw/zinc/43/32/52/972433252.db2.gz ZSAFCXLYOGUSDB-KWCYVHTRSA-N -2 3 394.518 3.224 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1csnc1-c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603255846 972433395 /nfs/dbraw/zinc/43/33/95/972433395.db2.gz ZSAFCXLYOGUSDB-FPMFFAJLSA-N -2 3 394.518 3.224 20 0 GGADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3F)CCCC2)n1 ZINC000185025667 959495351 /nfs/dbraw/zinc/49/53/51/959495351.db2.gz RHIIUQNEQDQVFH-UHFFFAOYSA-N -2 3 398.481 3.345 20 0 GGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)C2CC2)n1 ZINC000185065423 959496306 /nfs/dbraw/zinc/49/63/06/959496306.db2.gz AAKAIJQPQRQICD-AWEZNQCLSA-N -2 3 384.454 3.027 20 0 GGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)c1C ZINC000190380868 959512148 /nfs/dbraw/zinc/51/21/48/959512148.db2.gz NOPZFSJSCDZBAC-UHFFFAOYSA-N -2 3 385.445 3.297 20 0 GGADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)cc1 ZINC001198782955 960587021 /nfs/dbraw/zinc/58/70/21/960587021.db2.gz SIIAJTLTHLUGOQ-UHFFFAOYSA-N -2 3 375.324 3.127 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)c(F)cc1Cl ZINC001259212023 960658222 /nfs/dbraw/zinc/65/82/22/960658222.db2.gz BPEOWAMXSZMQNV-UHFFFAOYSA-N -2 3 378.208 3.309 20 0 GGADHL C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259212075 960661969 /nfs/dbraw/zinc/66/19/69/960661969.db2.gz DXDXUZCKJMIZDK-NSHDSACASA-N -2 3 385.844 3.477 20 0 GGADHL Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259212802 960665574 /nfs/dbraw/zinc/66/55/74/960665574.db2.gz AYXLVLVZUAUKHB-UHFFFAOYSA-N -2 3 379.196 3.335 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)c(F)cc1Cl ZINC001259222354 960684786 /nfs/dbraw/zinc/68/47/86/960684786.db2.gz PYNGBLWEWVQDED-UHFFFAOYSA-N -2 3 392.235 3.352 20 0 GGADHL Cc1cc(Br)sc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCCC1 ZINC001574308234 960756504 /nfs/dbraw/zinc/75/65/04/960756504.db2.gz WXFHNVCSKXXPJS-UHFFFAOYSA-N -2 3 396.328 3.275 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)cc1F ZINC001318711011 960918960 /nfs/dbraw/zinc/91/89/60/960918960.db2.gz YHGRYRVFBFMAOS-UHFFFAOYSA-N -2 3 378.356 3.255 20 0 GGADHL Cc1cccc([C@@H]([N-]C(=O)C(F)(F)c2ncccc2Br)C(=O)[O-])c1 ZINC001574390084 961167129 /nfs/dbraw/zinc/16/71/29/961167129.db2.gz QYPDTQUUOGSJRN-GFCCVEGCSA-N -2 3 399.191 3.186 20 0 GGADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001588768579 961257451 /nfs/dbraw/zinc/25/74/51/961257451.db2.gz VRLNPEXRHVMIDX-UHFFFAOYSA-N -2 3 388.898 3.385 20 0 GGADHL Nc1c(Cl)c(Cl)nc(C(=O)[N-]N=Cc2ccccc2C(=O)[O-])c1Cl ZINC000254633200 961321651 /nfs/dbraw/zinc/32/16/51/961321651.db2.gz PEUCGLLQGKULMG-UHFFFAOYSA-N -2 3 387.610 3.086 20 0 GGADHL Cc1nc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)c(-c2ccccc2)s1 ZINC001574423633 961353628 /nfs/dbraw/zinc/35/36/28/961353628.db2.gz DTJGWPGUOUUZRY-UHFFFAOYSA-N -2 3 388.470 3.295 20 0 GGADHL Cc1ccc(C(=O)Nc2cc(I)cc(C(=O)[O-])c2)c([O-])c1 ZINC000313686594 963675771 /nfs/dbraw/zinc/67/57/71/963675771.db2.gz UCKSRRSGPCNRCS-UHFFFAOYSA-N -2 3 397.168 3.256 20 0 GGADHL O=C([O-])CC1([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCC1 ZINC000314050134 963704500 /nfs/dbraw/zinc/70/45/00/963704500.db2.gz QWVMITMMYNPVGA-UHFFFAOYSA-N -2 3 396.690 3.168 20 0 GGADHL O=C([O-])c1ccccc1C1CCN(C(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000783960829 969173287 /nfs/dbraw/zinc/17/32/87/969173287.db2.gz AKAVDLSKVISAHK-UHFFFAOYSA-N -2 3 377.400 3.053 20 0 GGADHL O=C([O-])CC[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC001263063181 969694629 /nfs/dbraw/zinc/69/46/29/969694629.db2.gz OORVHGYOFBXDDG-LBPRGKRZSA-N -2 3 385.258 3.084 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1CCCCCC1 ZINC000317296382 970345239 /nfs/dbraw/zinc/34/52/39/970345239.db2.gz LQTDLZOQORCGHG-VIFPVBQESA-N -2 3 394.287 3.378 20 0 GGADHL Cc1cccc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)c1 ZINC000317299014 970345595 /nfs/dbraw/zinc/34/55/95/970345595.db2.gz WRLGFLZAQMDVFM-VIFPVBQESA-N -2 3 388.239 3.088 20 0 GGADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000318787890 970472206 /nfs/dbraw/zinc/47/22/06/970472206.db2.gz UJOHCWKQGDFNCI-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(C2CCCC2)cc1 ZINC001605974340 972991914 /nfs/dbraw/zinc/99/19/14/972991914.db2.gz MIBBZPAFBGABDD-SJORKVTESA-N -2 3 398.425 3.440 20 0 GGADHL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)ccc1OC(C)C ZINC000463785042 974187299 /nfs/dbraw/zinc/18/72/99/974187299.db2.gz DEQGZYHKISWFNO-UHFFFAOYSA-N -2 3 379.434 3.290 20 0 GGADHL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1)C(=O)[O-] ZINC000463784334 974187565 /nfs/dbraw/zinc/18/75/65/974187565.db2.gz SPLFQMKHVMVFOW-CQSZACIVSA-N -3 3 391.445 3.147 20 0 GGADHL Cc1c([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cccc1C(=O)[O-] ZINC000476784667 974202728 /nfs/dbraw/zinc/20/27/28/974202728.db2.gz BXWLXYAAMAPQLF-UHFFFAOYSA-N -2 3 389.351 3.435 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000486460951 974248466 /nfs/dbraw/zinc/24/84/66/974248466.db2.gz NYHREAHLYVKTKD-LBPRGKRZSA-N -2 3 391.342 3.148 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c(C)c1 ZINC000504686353 974270061 /nfs/dbraw/zinc/27/00/61/974270061.db2.gz CQTXVWKXQXJRIE-UHFFFAOYSA-N -2 3 379.434 3.048 20 0 GGADHL COCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1Cl ZINC000517132783 974315337 /nfs/dbraw/zinc/31/53/37/974315337.db2.gz CABZDMFENYTWLS-UHFFFAOYSA-N -2 3 399.852 3.173 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C2CCOCC2)c1 ZINC000530146010 974355531 /nfs/dbraw/zinc/35/55/31/974355531.db2.gz XMKPEJTWDMNVGF-UHFFFAOYSA-N -2 3 375.446 3.388 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C ZINC000541805115 974413033 /nfs/dbraw/zinc/41/30/33/974413033.db2.gz SRPBBLLZQJEBCH-AWEZNQCLSA-N -2 3 377.462 3.376 20 0 GGADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000544099033 974419613 /nfs/dbraw/zinc/41/96/13/974419613.db2.gz FVYNOXAHVRSHTO-UHFFFAOYSA-N -2 3 394.355 3.260 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1OC ZINC000547548097 974434800 /nfs/dbraw/zinc/43/48/00/974434800.db2.gz DEICERLRUATVLE-UHFFFAOYSA-N -2 3 379.434 3.128 20 0 GGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1F ZINC000547865874 974443100 /nfs/dbraw/zinc/44/31/00/974443100.db2.gz XIMULLSCESBYKF-OAHLLOKOSA-N -2 3 381.356 3.124 20 0 GGADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000547919679 974450253 /nfs/dbraw/zinc/45/02/53/974450253.db2.gz MVBYVIHRWVIFAS-UHFFFAOYSA-N -2 3 391.342 3.064 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1OCC ZINC000548580174 974472393 /nfs/dbraw/zinc/47/23/93/974472393.db2.gz LVNHWQOQKKRECU-UHFFFAOYSA-N -2 3 383.397 3.122 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc2ccccc2c1 ZINC000556417447 974488696 /nfs/dbraw/zinc/48/86/96/974488696.db2.gz CVXVQILXHDUSOX-QGZVFWFLSA-N -2 3 395.358 3.361 20 0 GGADHL Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3C)cc2)n1 ZINC000559994782 974499651 /nfs/dbraw/zinc/49/96/51/974499651.db2.gz ZGHHTPALVCAEDA-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL CC(C)Oc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000575800713 974800748 /nfs/dbraw/zinc/80/07/48/974800748.db2.gz XFOOAKYBMDIXJA-ZDUSSCGKSA-N -2 3 381.450 3.065 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]CCCO[C@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000578985017 974865361 /nfs/dbraw/zinc/86/53/61/974865361.db2.gz OLICYRZSJJQLOI-KRWDZBQOSA-N -2 3 393.461 3.049 20 0 GGADHL COc1cccc([C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000580323109 974892759 /nfs/dbraw/zinc/89/27/59/974892759.db2.gz GBHSOZLABOGFTO-SFHVURJKSA-N -2 3 395.502 3.086 20 0 GGADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC001591671575 975430527 /nfs/dbraw/zinc/43/05/27/975430527.db2.gz AXFRQMIVZOZVNW-AWEZNQCLSA-N -2 3 380.441 3.256 20 0 GGADHL CC(C)Oc1c(F)cc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)cc1F ZINC001591741041 975746877 /nfs/dbraw/zinc/74/68/77/975746877.db2.gz RAPKHPCDXJIOTD-UHFFFAOYSA-N -2 3 377.409 3.139 20 0 GGADHL CC(C)Oc1c(F)cc([N-]S(=O)(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1F ZINC001591741403 975753280 /nfs/dbraw/zinc/75/32/80/975753280.db2.gz XNXFTNUQGCKEEY-AWEZNQCLSA-N -2 3 399.415 3.362 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C)c2ccc(C(F)(F)F)cc2)oc1C(=O)[O-] ZINC000663426227 975951000 /nfs/dbraw/zinc/95/10/00/975951000.db2.gz IHKKALYVYHSXKA-JTQLQIEISA-N -2 3 391.367 3.387 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(cnn2C(F)F)c1 ZINC000676559883 976029520 /nfs/dbraw/zinc/02/95/20/976029520.db2.gz NYGLZOTVMPMMHH-UHFFFAOYSA-N -2 3 381.360 3.239 20 0 GGADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000683312801 976084551 /nfs/dbraw/zinc/08/45/51/976084551.db2.gz JWMBEOADDCVBRD-UHFFFAOYSA-N -2 3 398.806 3.085 20 0 GGADHL C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001592444159 978101069 /nfs/dbraw/zinc/10/10/69/978101069.db2.gz KNVNTDFMUAIFDQ-MRVPVSSYSA-N -2 3 396.278 3.389 20 0 GGADHL C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001592485387 978264417 /nfs/dbraw/zinc/26/44/17/978264417.db2.gz QHVBWVARCYXFQB-SSDOTTSWSA-N -2 3 375.315 3.062 20 0 GGADHL CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(-c3ccccc3)sc2C(=O)[O-])o1 ZINC000738140140 978485583 /nfs/dbraw/zinc/48/55/83/978485583.db2.gz JTBLYLLKJPLJSK-UHFFFAOYSA-N -2 3 391.426 3.362 20 0 GGADHL Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC000742231589 978676193 /nfs/dbraw/zinc/67/61/93/978676193.db2.gz NXVCLPPAWMXQOC-UHFFFAOYSA-N -2 3 379.196 3.214 20 0 GGADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)[C@H]1C ZINC000761238319 978705861 /nfs/dbraw/zinc/70/58/61/978705861.db2.gz RWBSBHIGBJOBFV-WEDXCCLWSA-N -2 3 396.328 3.312 20 0 GGADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)[C@@H]1C ZINC000761238316 978706166 /nfs/dbraw/zinc/70/61/66/978706166.db2.gz RWBSBHIGBJOBFV-MRTMQBJTSA-N -2 3 396.328 3.312 20 0 GGADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1 ZINC000761264120 978707962 /nfs/dbraw/zinc/70/79/62/978707962.db2.gz BPFLASUULGXTCX-HTQZYQBOSA-N -2 3 382.301 3.066 20 0 GGADHL COc1c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)oc2ccccc21 ZINC000788743746 978797340 /nfs/dbraw/zinc/79/73/40/978797340.db2.gz WWZPBEODKXQMHF-UHFFFAOYSA-N -2 3 393.392 3.066 20 0 GGADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000790591905 978799800 /nfs/dbraw/zinc/79/98/00/978799800.db2.gz VXAKLEKONJCGMT-UHFFFAOYSA-N -2 3 398.706 3.416 20 0 GGADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000793349501 978803071 /nfs/dbraw/zinc/80/30/71/978803071.db2.gz OUDSAUOBFAGZKB-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OC(C)(C)O2 ZINC000793368775 978804967 /nfs/dbraw/zinc/80/49/67/978804967.db2.gz VQJGGUVKHTUALG-UHFFFAOYSA-N -2 3 381.381 3.140 20 0 GGADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c(C)cc1F ZINC000793971322 978810178 /nfs/dbraw/zinc/81/01/78/978810178.db2.gz LNWOTYAZQJZWJG-UHFFFAOYSA-N -2 3 395.408 3.037 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(C4CCC4)[nH]c3c2)cs1 ZINC000833305993 979146971 /nfs/dbraw/zinc/14/69/71/979146971.db2.gz AXJMLVGMAZBUPZ-UHFFFAOYSA-N -2 3 377.447 3.391 20 0 GGADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)c1ccc(F)cc1 ZINC001592716786 979218784 /nfs/dbraw/zinc/21/87/84/979218784.db2.gz ZEWYTVIQVPSEEJ-VIFPVBQESA-N -2 3 389.807 3.398 20 0 GGADHL CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595129718 979537630 /nfs/dbraw/zinc/53/76/30/979537630.db2.gz PJKRMOQPOVBAHE-CYBMUJFWSA-N -2 3 383.416 3.353 20 0 GGADHL C[C@](Cc1ccc(Cl)cc1)(NCc1nnc(-c2ccccc2[O-])o1)C(=O)[O-] ZINC001592840295 979605193 /nfs/dbraw/zinc/60/51/93/979605193.db2.gz VQYUIWMTWAATDU-LJQANCHMSA-N -2 3 387.823 3.271 20 0 GGADHL C[C@H](Cc1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1)C(=O)[O-] ZINC001592877786 979746393 /nfs/dbraw/zinc/74/63/93/979746393.db2.gz QIGPZHHCWHUDCK-SNVBAGLBSA-N -2 3 386.354 3.322 20 0 GGADHL C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001592896694 979798125 /nfs/dbraw/zinc/79/81/25/979798125.db2.gz RTZCRZHLFCXFDY-SECBINFHSA-N -2 3 389.807 3.226 20 0 GGADHL C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccc(OCC(=O)[O-])cc1 ZINC001592990817 980182423 /nfs/dbraw/zinc/18/24/23/980182423.db2.gz SNXKIAUGWJHVDN-SNVBAGLBSA-N -2 3 385.313 3.397 20 0 GGADHL CCC[C@@H](C)CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001595574646 981492314 /nfs/dbraw/zinc/49/23/14/981492314.db2.gz SGSBWGCFJIXHMQ-MRVPVSSYSA-N -2 3 384.317 3.313 20 0 GGADHL CC[C@@](C)(CC(=O)[O-])NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001594817296 981955563 /nfs/dbraw/zinc/95/55/63/981955563.db2.gz NWWNNTPGGSVFNK-AVRDEDQJSA-N -2 3 398.459 3.013 20 0 GGADHL CC[C@](C)(CC(=O)[O-])NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001594817310 981955778 /nfs/dbraw/zinc/95/57/78/981955778.db2.gz NWWNNTPGGSVFNK-XMSQKQJNSA-N -2 3 398.459 3.013 20 0 GGADHL CCC(C)(CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001594829695 982006421 /nfs/dbraw/zinc/00/64/21/982006421.db2.gz BATFDKCTMJKHAX-UHFFFAOYSA-N -2 3 382.251 3.143 20 0 GGADHL CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)c1nccs1 ZINC001594853269 982110272 /nfs/dbraw/zinc/11/02/72/982110272.db2.gz OOCZVAOWWUQBJP-AWEZNQCLSA-N -2 3 392.861 3.238 20 0 GGADHL CCCCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC001595683534 982173239 /nfs/dbraw/zinc/17/32/39/982173239.db2.gz UXBJTJHGNDZKFS-JTQLQIEISA-N -2 3 387.351 3.036 20 0 GGADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC001595687745 982181842 /nfs/dbraw/zinc/18/18/42/982181842.db2.gz SYZOZTBLUNSPBB-SECBINFHSA-N -2 3 387.351 3.036 20 0 GGADHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC001595742260 982406512 /nfs/dbraw/zinc/40/65/12/982406512.db2.gz XGLMVJLKBIYWOR-UHFFFAOYSA-N -2 3 376.478 3.351 20 0 GGADHL CCCCOc1ccc(C(=O)N2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001595774590 982532329 /nfs/dbraw/zinc/53/23/29/982532329.db2.gz VRNAXPOQHUZXPQ-RBUKOAKNSA-N -2 3 399.443 3.217 20 0 GGADHL CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001594934534 982579507 /nfs/dbraw/zinc/57/95/07/982579507.db2.gz KYBCCHAUKKEBAL-RKDXNWHRSA-N -2 3 396.278 3.389 20 0 GGADHL CCCCc1nc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c(C(=O)OCC)[n-]1 ZINC001595799584 982614325 /nfs/dbraw/zinc/61/43/25/982614325.db2.gz ZQTUFEUCULLFJJ-UHFFFAOYSA-N -2 3 377.372 3.019 20 0 GGADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC001594952166 982664984 /nfs/dbraw/zinc/66/49/84/982664984.db2.gz CADGUCGRNXOFPG-KCJUWKMLSA-N -2 3 398.706 3.270 20 0 GGADHL C[C@H]1CC[C@@]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)(C(=O)[O-])CC1 ZINC001599909482 984966260 /nfs/dbraw/zinc/96/62/60/984966260.db2.gz OJAOKWLBCQCEKM-KMHCFJFGSA-N -2 3 399.362 3.036 20 0 GGADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc3ccccc3c2)c1 ZINC001589199679 985637248 /nfs/dbraw/zinc/63/72/48/985637248.db2.gz XZVUYVIWNNYGSP-LJQANCHMSA-N -2 3 378.384 3.060 20 0 GGADHL CC(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2OC(F)(F)F)cc1[O-] ZINC001589276490 985989558 /nfs/dbraw/zinc/98/95/58/985989558.db2.gz XQZRRUVWBVLNKH-HNNXBMFYSA-N -2 3 397.305 3.049 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(SCCC(=O)[O-])c2)cc1 ZINC001597138037 986878819 /nfs/dbraw/zinc/87/88/19/986878819.db2.gz YSAUIUPOEWFCHA-UHFFFAOYSA-N -2 3 381.475 3.453 20 0 GGADHL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccccc1 ZINC001589470059 986952209 /nfs/dbraw/zinc/95/22/09/986952209.db2.gz VHLGORSZMHKTIB-MEDUHNTESA-N -2 3 384.819 3.373 20 0 GGADHL C[C@H](C(=O)[O-])[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccccc1 ZINC001589470060 986952531 /nfs/dbraw/zinc/95/25/31/986952531.db2.gz VHLGORSZMHKTIB-ZBEGNZNMSA-N -2 3 384.819 3.373 20 0 GGADHL CC(C)(C(=O)[O-])c1csc(NC(=O)c2cc([O-])cc(Br)c2)n1 ZINC001589655524 987616591 /nfs/dbraw/zinc/61/65/91/987616591.db2.gz BBNMVBYJMBYLEL-UHFFFAOYSA-N -2 3 385.239 3.226 20 0 GGADHL CC(C)(C(=O)[O-])n1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cn1 ZINC001589670023 987662157 /nfs/dbraw/zinc/66/21/57/987662157.db2.gz KSDXYUFDIPSUCW-UHFFFAOYSA-N -2 3 395.415 3.240 20 0 GGADHL CCc1cc2c(CN3CCc4cc(C(=O)[O-])ccc4C3)cc(=O)oc2cc1[O-] ZINC001597489037 988006016 /nfs/dbraw/zinc/00/60/16/988006016.db2.gz VMCULXTVBDKYJW-UHFFFAOYSA-N -2 3 379.412 3.318 20 0 GGADHL CCc1cc2c(CN3CCc4c(F)ccc(C(=O)[O-])c4C3)cc(=O)oc2cc1[O-] ZINC001597489099 988006769 /nfs/dbraw/zinc/00/67/69/988006769.db2.gz YIQWEPHDNZYIKE-UHFFFAOYSA-N -2 3 397.402 3.457 20 0 GGADHL CSc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC001599819733 988490834 /nfs/dbraw/zinc/49/08/34/988490834.db2.gz FTIVRJYGMVPADJ-AWEZNQCLSA-N -2 3 396.262 3.432 20 0 GGADHL CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)cs1 ZINC001597655734 988704692 /nfs/dbraw/zinc/70/46/92/988704692.db2.gz DQSVAKBDKOZLFV-SSDOTTSWSA-N -2 3 392.861 3.236 20 0 GGADHL CCc1ncc(S(=O)(=O)[N-][C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC001597702386 988928582 /nfs/dbraw/zinc/92/85/82/988928582.db2.gz GLHOXKOZIDFCGA-HNNXBMFYSA-N -2 3 388.898 3.027 20 0 GGADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC001597785933 989308398 /nfs/dbraw/zinc/30/83/98/989308398.db2.gz UYJHPWQGTRUEAU-UHFFFAOYSA-N -2 3 392.202 3.243 20 0 GGADHL CCc1oc(CN2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc1C(=O)[O-] ZINC001597798672 989370251 /nfs/dbraw/zinc/37/02/51/989370251.db2.gz HTGGLUHSNHIWFR-UHFFFAOYSA-N -2 3 378.856 3.217 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCc3ccc(C(=O)[O-])cc32)s1 ZINC001590320196 989761134 /nfs/dbraw/zinc/76/11/34/989761134.db2.gz XZAHMVZQZHWWPI-UHFFFAOYSA-N -2 3 389.433 3.391 20 0 GGADHL CC(C)(C)OC1CCC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001590379557 989890429 /nfs/dbraw/zinc/89/04/29/989890429.db2.gz URJZZKUPKCUCJL-UHFFFAOYSA-N -2 3 391.436 3.068 20 0 GGADHL CC(C)([N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1cc(C(=O)[O-])on1 ZINC001590879045 990789488 /nfs/dbraw/zinc/78/94/88/990789488.db2.gz GUFJTJGJIFMVKB-UHFFFAOYSA-N -2 3 397.211 3.032 20 0 GGADHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1CCCCC1 ZINC001590879219 990791859 /nfs/dbraw/zinc/79/18/59/990791859.db2.gz QVCMWMCLULNHTQ-UHFFFAOYSA-N -2 3 394.287 3.378 20 0 GGADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)c1ccccc1F ZINC001591034112 991351700 /nfs/dbraw/zinc/35/17/00/991351700.db2.gz ZTHJPLNSZHNGPA-CYBMUJFWSA-N -2 3 375.805 3.446 20 0 GGADHL CC(C)C1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CC1 ZINC001591060257 991484305 /nfs/dbraw/zinc/48/43/05/991484305.db2.gz FJKMNRWFQSQZGC-UHFFFAOYSA-N -2 3 394.262 3.001 20 0 GGADHL CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC001591089357 991632920 /nfs/dbraw/zinc/63/29/20/991632920.db2.gz WMJNDWJUTKKAAP-UWVGGRQHSA-N -2 3 394.287 3.233 20 0 GGADHL CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC001591089358 991632931 /nfs/dbraw/zinc/63/29/31/991632931.db2.gz WMJNDWJUTKKAAP-VHSXEESVSA-N -2 3 394.287 3.233 20 0 GGADHL CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCO1 ZINC001591204968 992027039 /nfs/dbraw/zinc/02/70/39/992027039.db2.gz DMPUQLSNEGASLC-GHMZBOCLSA-N -2 3 393.864 3.049 20 0 GGADHL CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001591217435 992073819 /nfs/dbraw/zinc/07/38/19/992073819.db2.gz IDIRTOONJFCDEU-SECBINFHSA-N -2 3 396.278 3.389 20 0 GGADHL CC(C)CCCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001591238653 992125128 /nfs/dbraw/zinc/12/51/28/992125128.db2.gz MAWUHQYWWIMDIO-UHFFFAOYSA-N -2 3 384.317 3.313 20 0 GGADHL C[C@](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593146395 993944064 /nfs/dbraw/zinc/94/40/64/993944064.db2.gz MQVPMIHKXUOUJL-QGZVFWFLSA-N -2 3 396.230 3.096 20 0 GGADHL C[C@@](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593146394 993944496 /nfs/dbraw/zinc/94/44/96/993944496.db2.gz MQVPMIHKXUOUJL-KRWDZBQOSA-N -2 3 396.230 3.096 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2c(C)c(C)ccc2Cl)c(OC)c1C(=O)[O-] ZINC001599616512 994021710 /nfs/dbraw/zinc/02/17/10/994021710.db2.gz DNULVLRIVQUDCJ-UHFFFAOYSA-N -2 3 399.852 3.473 20 0 GGADHL COc1ccc2c(c1)[n-]cc(C(=O)Nc1cccc(CSCC(=O)[O-])c1)c2=O ZINC001599626314 994153851 /nfs/dbraw/zinc/15/38/51/994153851.db2.gz PLYPJPYIFRWDMF-UHFFFAOYSA-N -2 3 398.440 3.107 20 0 GGADHL COc1cccc(C(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)c1 ZINC001599658367 994617378 /nfs/dbraw/zinc/61/73/78/994617378.db2.gz WHNQCAIPWWFPFH-OAHLLOKOSA-N -2 3 399.777 3.391 20 0 GGADHL C[C@@H](NCc1ccc(C(=O)[O-])cc1Br)c1nc(C(F)(F)F)n[n-]1 ZINC001593295986 994694117 /nfs/dbraw/zinc/69/41/17/994694117.db2.gz IYLGLKJMVIWVCS-ZCFIWIBFSA-N -2 3 393.163 3.135 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(c1ccccc1)c1ccccc1 ZINC001593327068 994885818 /nfs/dbraw/zinc/88/58/18/994885818.db2.gz UVQTWHYTXAGJKY-AWEZNQCLSA-N -2 3 385.441 3.477 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)[C@@]12C[C@@H]1CCCC2 ZINC001593331285 994900918 /nfs/dbraw/zinc/90/09/18/994900918.db2.gz WEECGFLQUWFJJE-XQJJYNOISA-N -2 3 375.849 3.424 20 0 GGADHL CC1(C)C[C@]1(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001593866284 996673117 /nfs/dbraw/zinc/67/31/17/996673117.db2.gz ZYBMZPCEFHRFAB-IBGZPJMESA-N -2 3 395.427 3.309 20 0 GGADHL CC1(C)CCC[C@H]1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001593903447 996773293 /nfs/dbraw/zinc/77/32/93/996773293.db2.gz UGJUMFDSWCAZNK-VIFPVBQESA-N -2 3 394.287 3.235 20 0 GGADHL COC[C@H]([N-]S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21)c1ccc(C)o1 ZINC001599177811 996884994 /nfs/dbraw/zinc/88/49/94/996884994.db2.gz GNHCCENADVUFMU-INIZCTEOSA-N -2 3 389.429 3.105 20 0 GGADHL COC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2Cl)cc1[O-] ZINC001598887387 996925403 /nfs/dbraw/zinc/92/54/03/996925403.db2.gz YBHKGTRDQKVJDD-CQSZACIVSA-N -2 3 379.752 3.207 20 0 GGADHL COCc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc(C(=O)[O-])c1 ZINC001599289746 997043433 /nfs/dbraw/zinc/04/34/33/997043433.db2.gz VGZZYJQLECBRMX-UHFFFAOYSA-N -2 3 391.445 3.046 20 0 GGADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C(C)C)cc2[O-])c(OC)c1 ZINC001599514327 997356781 /nfs/dbraw/zinc/35/67/81/997356781.db2.gz NHISMAVUNXWNRW-QGZVFWFLSA-N -2 3 387.432 3.479 20 0 GGADHL COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)cc1C ZINC001599419807 997574732 /nfs/dbraw/zinc/57/47/32/997574732.db2.gz MBXDPLXGTJCJNQ-UHFFFAOYSA-N -2 3 385.825 3.165 20 0 GGADHL COCC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C)c1ccco1 ZINC001599216895 997598800 /nfs/dbraw/zinc/59/88/00/997598800.db2.gz SUXVLBRJVBPKPK-SECBINFHSA-N -2 3 393.870 3.057 20 0 GGADHL COCCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCCC1 ZINC001599218797 997629487 /nfs/dbraw/zinc/62/94/87/997629487.db2.gz NKXSHBHEVWFEED-UHFFFAOYSA-N -2 3 393.864 3.053 20 0 GGADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1F ZINC001599423678 997636940 /nfs/dbraw/zinc/63/69/40/997636940.db2.gz AMHYRIAYRZUSJM-INIZCTEOSA-N -2 3 399.415 3.104 20 0 GGADHL COCC[C@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-])c1ccco1 ZINC001599219614 997643419 /nfs/dbraw/zinc/64/34/19/997643419.db2.gz SCWNJGSQAZWZGD-LBPRGKRZSA-N -2 3 395.458 3.249 20 0 GGADHL C[C@@]1([N-]S(=O)(=O)c2csnc2-c2ccccc2)CCCC[C@@H]1C(=O)[O-] ZINC001594066139 997878448 /nfs/dbraw/zinc/87/84/48/997878448.db2.gz QQUIDAHXWXGPLW-CXAGYDPISA-N -2 3 380.491 3.122 20 0 GGADHL COc1cc(C(=O)N[C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)cc(OC)c1[O-] ZINC001599352962 998127492 /nfs/dbraw/zinc/12/74/92/998127492.db2.gz CBEDGCCKWQOSQZ-OAHLLOKOSA-N -2 3 399.321 3.141 20 0 GGADHL COc1cc(C(=O)N[C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)cc(OC)c1[O-] ZINC001599352961 998127852 /nfs/dbraw/zinc/12/78/52/998127852.db2.gz CBEDGCCKWQOSQZ-HNNXBMFYSA-N -2 3 399.321 3.141 20 0 GGADHL COc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2cccc(Br)c2)c([O-])c1 ZINC001599478807 998576172 /nfs/dbraw/zinc/57/61/72/998576172.db2.gz BALIWSBEMRXQNA-OAHLLOKOSA-N -2 3 394.221 3.061 20 0 GGADHL COC(=O)c1sc2[n-]c(CSC(C)(C)C(C)C)nc(=O)c2c1CC(=O)[O-] ZINC001599021854 998987117 /nfs/dbraw/zinc/98/71/17/998987117.db2.gz FTKDISCAKQZBQP-UHFFFAOYSA-N -2 3 398.506 3.066 20 0 GGADHL C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2Br)C1 ZINC001594309413 999194536 /nfs/dbraw/zinc/19/45/36/999194536.db2.gz WWTJZCSWZAWFOV-IUCAKERBSA-N -2 3 394.262 3.001 20 0 GGADHL C[C@@H]1CC[C@](NCc2nnc(-c3ccccc3[O-])o2)(C(=O)[O-])c2ccccc21 ZINC001594319598 999228749 /nfs/dbraw/zinc/22/87/49/999228749.db2.gz GRUYKYLTGWSSIM-LRTDBIEQSA-N -2 3 379.416 3.409 20 0 GGADHL C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C[C@@H]1C ZINC001594326019 999252550 /nfs/dbraw/zinc/25/25/50/999252550.db2.gz AJLBAUSGURTMLV-HRDYMLBCSA-N -2 3 396.328 3.312 20 0 GGADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C[C@@H]1C ZINC001594326021 999252711 /nfs/dbraw/zinc/25/27/11/999252711.db2.gz AJLBAUSGURTMLV-VGMNWLOBSA-N -2 3 396.328 3.312 20 0 GGADHL C[C@@H]1CC[C@@]([N-]S(=O)(=O)c2c(F)cccc2F)(C(=O)[O-])c2ccccc21 ZINC001594326942 999257092 /nfs/dbraw/zinc/25/70/92/999257092.db2.gz QYGQFHUEGQGWPW-ZMZPIMSZSA-N -2 3 381.400 3.121 20 0 GGADHL C[C@@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001594363507 999372182 /nfs/dbraw/zinc/37/21/82/999372182.db2.gz FWJIKEMWGXHJPO-NXEZZACHSA-N -2 3 394.287 3.235 20 0 GGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c1 ZINC000010516297 221103964 /nfs/dbraw/zinc/10/39/64/221103964.db2.gz GRICXFMRSUJBAR-UHFFFAOYSA-N -2 3 375.324 3.127 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)ccc1Br ZINC000012748152 221223306 /nfs/dbraw/zinc/22/33/06/221223306.db2.gz YYXRVTHJEYRKOT-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000012775104 221229998 /nfs/dbraw/zinc/22/99/98/221229998.db2.gz ZBGQHJODZLWGKI-UHFFFAOYSA-N -2 3 386.470 3.121 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000013028101 221259096 /nfs/dbraw/zinc/25/90/96/221259096.db2.gz DVCQEBUIBZCZTQ-UHFFFAOYSA-N -2 3 375.233 3.383 20 0 GGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)ccc1[O-] ZINC000079001740 136172868 /nfs/dbraw/zinc/17/28/68/136172868.db2.gz OFWZTSQCPMUWCC-UHFFFAOYSA-N -2 3 389.477 3.142 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(C)s3)c2)n1 ZINC000055621116 222024836 /nfs/dbraw/zinc/02/48/36/222024836.db2.gz QIZYTEJJNZAHNI-UHFFFAOYSA-N -2 3 375.475 3.170 20 0 GGADHL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2F)n1 ZINC000055649457 222024845 /nfs/dbraw/zinc/02/48/45/222024845.db2.gz BXKQHRATLFMKDQ-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cccc3c2CCCC3)ccc1OCC(=O)[O-] ZINC000058394123 222050721 /nfs/dbraw/zinc/05/07/21/222050721.db2.gz CNURXWGQHRBRAL-UHFFFAOYSA-N -2 3 375.446 3.138 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000079107653 222302927 /nfs/dbraw/zinc/30/29/27/222302927.db2.gz QUJDXAFDJKDWDP-UHFFFAOYSA-N -3 3 391.445 3.165 20 0 GGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000115729846 564198177 /nfs/dbraw/zinc/19/81/77/564198177.db2.gz XQTZNXKSBPYQQZ-DTWKUNHWSA-N -2 3 384.317 3.068 20 0 GGADHL Cc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)n1 ZINC000007385679 564236152 /nfs/dbraw/zinc/23/61/52/564236152.db2.gz JGODINFPZNZRPR-UHFFFAOYSA-N -2 3 375.281 3.322 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000010516464 564258076 /nfs/dbraw/zinc/25/80/76/564258076.db2.gz NUSVTXIXUZEQTD-UHFFFAOYSA-N -2 3 375.324 3.127 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCCCC1 ZINC000013262886 564275470 /nfs/dbraw/zinc/27/54/70/564275470.db2.gz GAUXAWBAAPNKFV-UHFFFAOYSA-N -2 3 396.690 3.168 20 0 GGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000020301754 564306258 /nfs/dbraw/zinc/30/62/58/564306258.db2.gz UCXQMNUCRAVCBC-UHFFFAOYSA-N -2 3 384.679 3.026 20 0 GGADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000035085555 564415440 /nfs/dbraw/zinc/41/54/40/564415440.db2.gz QUQAAPVJGXJGTB-JTQLQIEISA-N -2 3 384.679 3.024 20 0 GGADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000036833076 564419405 /nfs/dbraw/zinc/41/94/05/564419405.db2.gz OONBKBRFRIIWJL-UHFFFAOYSA-N -2 3 376.459 3.012 20 0 GGADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000122668786 564423137 /nfs/dbraw/zinc/42/31/37/564423137.db2.gz GVNBHCXQPDJEBK-UHFFFAOYSA-N -2 3 399.266 3.169 20 0 GGADHL CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000042792605 564450151 /nfs/dbraw/zinc/45/01/51/564450151.db2.gz IXQVMHDOMPTNRA-UHFFFAOYSA-N -2 3 382.825 3.188 20 0 GGADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1F ZINC000123801382 564462511 /nfs/dbraw/zinc/46/25/11/564462511.db2.gz DBPVHAWNPSDOGM-UHFFFAOYSA-N -2 3 386.470 3.005 20 0 GGADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000057115693 564659816 /nfs/dbraw/zinc/65/98/16/564659816.db2.gz FDDKNXJIKNYVEZ-UHFFFAOYSA-N -2 3 390.244 3.430 20 0 GGADHL COc1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)ccc1Br ZINC000131535402 564714334 /nfs/dbraw/zinc/71/43/34/564714334.db2.gz LNKPAMBIZDUHEY-UHFFFAOYSA-N -2 3 376.203 3.103 20 0 GGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cc(F)c(Br)cc1F ZINC000131529350 564714745 /nfs/dbraw/zinc/71/47/45/564714745.db2.gz GDKVBGVCSZQETQ-UHFFFAOYSA-N -2 3 382.157 3.373 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2Cl)cc1C(=O)[O-] ZINC000063345151 564716751 /nfs/dbraw/zinc/71/67/51/564716751.db2.gz FIFUVECNJWGOEF-UHFFFAOYSA-N -2 3 385.825 3.246 20 0 GGADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1F ZINC000134600703 564809407 /nfs/dbraw/zinc/80/94/07/564809407.db2.gz HEYHGNRPUDMDOP-UHFFFAOYSA-N -2 3 386.470 3.087 20 0 GGADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cscc2C)cc1F ZINC000134662271 564810884 /nfs/dbraw/zinc/81/08/84/564810884.db2.gz YSQPWZRQMDGVSH-UHFFFAOYSA-N -2 3 392.499 3.148 20 0 GGADHL CC(C)c1cccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000135333279 564829234 /nfs/dbraw/zinc/82/92/34/564829234.db2.gz HKMDEOQJIQSHRR-UHFFFAOYSA-N -2 3 386.470 3.121 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(Br)c1 ZINC000070156496 564849465 /nfs/dbraw/zinc/84/94/65/564849465.db2.gz UYCZYDQSDLAIFD-UHFFFAOYSA-N -2 3 376.253 3.318 20 0 GGADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2Br)cc1C(=O)[O-] ZINC000084076998 564869374 /nfs/dbraw/zinc/86/93/74/564869374.db2.gz YJBBHTVTPAAFGL-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1CC1 ZINC000108704178 565015657 /nfs/dbraw/zinc/01/56/57/565015657.db2.gz NVSGHEHKCZOCFD-UHFFFAOYSA-N -2 3 380.853 3.081 20 0 GGADHL COc1ccc(Br)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000111324723 565052702 /nfs/dbraw/zinc/05/27/02/565052702.db2.gz YCUYFAPMWMMIOL-UHFFFAOYSA-N -2 3 392.252 3.018 20 0 GGADHL O=C(NCc1ccc([O-])c(F)c1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000156309853 565079056 /nfs/dbraw/zinc/07/90/56/565079056.db2.gz KVGFEJJLCZCDKO-UHFFFAOYSA-N -2 3 391.196 3.065 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000184897902 565163371 /nfs/dbraw/zinc/16/33/71/565163371.db2.gz MULQSCOWRCSSEZ-ZJUUUORDSA-N -2 3 385.791 3.438 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1)c1nc(C)cs1 ZINC000185008615 565172151 /nfs/dbraw/zinc/17/21/51/565172151.db2.gz XBWJNEUWPAMLLL-NSHDSACASA-N -2 3 392.861 3.372 20 0 GGADHL Cc1csc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)CCCC2)n1 ZINC000185025093 565173037 /nfs/dbraw/zinc/17/30/37/565173037.db2.gz RWMSHZOIEDOZTF-UHFFFAOYSA-N -2 3 384.454 3.037 20 0 GGADHL Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)sc1C ZINC000185045587 565173632 /nfs/dbraw/zinc/17/36/32/565173632.db2.gz FDODZLQEKCIQQU-UHFFFAOYSA-N -2 3 386.470 3.119 20 0 GGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C2CC2)n1 ZINC000185065043 565175248 /nfs/dbraw/zinc/17/52/48/565175248.db2.gz ANQZKYYPQDNEGN-CYBMUJFWSA-N -2 3 386.882 3.233 20 0 GGADHL O=S(=O)(CCC1CC1)[N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000271261822 565245343 /nfs/dbraw/zinc/24/53/43/565245343.db2.gz LCKLYANLUPKXGO-UHFFFAOYSA-N -2 3 380.491 3.029 20 0 GGADHL O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)[N-]OC1CCCC1 ZINC000271753939 565267030 /nfs/dbraw/zinc/26/70/30/565267030.db2.gz LEULHMIKYHCWNL-UHFFFAOYSA-N -2 3 380.491 3.082 20 0 GGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCC1 ZINC000164935831 565365762 /nfs/dbraw/zinc/36/57/62/565365762.db2.gz YMHTXSOUXHOVIX-UHFFFAOYSA-N -2 3 396.690 3.026 20 0 GGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000189240532 565453679 /nfs/dbraw/zinc/45/36/79/565453679.db2.gz DOXWDMOUOVWHJU-UHFFFAOYSA-N -2 3 377.315 3.430 20 0 GGADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000276832483 565463509 /nfs/dbraw/zinc/46/35/09/565463509.db2.gz BGXXAEBTOLUJBP-MRVPVSSYSA-N -2 3 384.679 3.024 20 0 GGADHL O=C(c1cc(I)ccc1[O-])N1CCCc2cccc([O-])c21 ZINC000189900182 565496126 /nfs/dbraw/zinc/49/61/26/565496126.db2.gz WGOFMLTYFGIVGY-UHFFFAOYSA-N -2 3 395.196 3.295 20 0 GGADHL CCCc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000172897329 565511105 /nfs/dbraw/zinc/51/11/05/565511105.db2.gz XTRGVMWDGHRYPJ-UHFFFAOYSA-N -2 3 382.507 3.120 20 0 GGADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000389147019 565553708 /nfs/dbraw/zinc/55/37/08/565553708.db2.gz ILMQOFQZSZGDQT-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000390709567 565557221 /nfs/dbraw/zinc/55/72/21/565557221.db2.gz IEMOPMPOBMWJIY-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000391732569 565561267 /nfs/dbraw/zinc/56/12/67/565561267.db2.gz MVCQNBSDKFWMJG-SECBINFHSA-N -2 3 384.679 3.024 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)c1F ZINC000313215624 565583318 /nfs/dbraw/zinc/58/33/18/565583318.db2.gz FHFNZRLSSDIWGV-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)c(F)c1 ZINC000404935745 565584351 /nfs/dbraw/zinc/58/43/51/565584351.db2.gz DCKRGLWJKIZNKK-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CSCC[C@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(=O)[O-] ZINC000314205818 565585526 /nfs/dbraw/zinc/58/55/26/565585526.db2.gz JOAUXVDQJIIEHO-JTQLQIEISA-N -2 3 386.322 3.095 20 0 GGADHL CCC(CC)(C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000314307603 565585697 /nfs/dbraw/zinc/58/56/97/565585697.db2.gz ZHUHBUGNOGRFBO-UHFFFAOYSA-N -2 3 398.706 3.272 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c(Br)c1 ZINC000314133742 565585856 /nfs/dbraw/zinc/58/58/56/565585856.db2.gz OCEGBGPFYDQIHS-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1C(=O)[O-] ZINC000314368290 565586472 /nfs/dbraw/zinc/58/64/72/565586472.db2.gz RDDBDRTVOVBTIY-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)CC1CC1 ZINC000405366361 565587018 /nfs/dbraw/zinc/58/70/18/565587018.db2.gz WRWHXPBVHBRWNM-VIFPVBQESA-N -2 3 385.791 3.138 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c(Br)c1 ZINC000316172718 565591152 /nfs/dbraw/zinc/59/11/52/565591152.db2.gz UOLMGMPARHWDLG-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)c(Br)c1 ZINC000316198026 565591236 /nfs/dbraw/zinc/59/12/36/565591236.db2.gz LZSKDHIKLKHGEP-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cc(Br)cc1F ZINC000316073158 565591739 /nfs/dbraw/zinc/59/17/39/565591739.db2.gz ZYQDJDFSAOCHDU-UHFFFAOYSA-N -2 3 396.165 3.128 20 0 GGADHL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)c1 ZINC000316246258 565591808 /nfs/dbraw/zinc/59/18/08/565591808.db2.gz QLYUDVHRUICSHG-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)CC(=O)[O-] ZINC000317755686 565595191 /nfs/dbraw/zinc/59/51/91/565595191.db2.gz OZYUXAAMCZJMSK-JTQLQIEISA-N -2 3 396.278 3.004 20 0 GGADHL Cc1c(Br)cc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)[O-] ZINC000317703106 565595387 /nfs/dbraw/zinc/59/53/87/565595387.db2.gz SHSNJLWNPHKNJE-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000317795998 565595655 /nfs/dbraw/zinc/59/56/55/565595655.db2.gz VRRZSDMEPWNICF-UWVGGRQHSA-N -2 3 396.278 3.146 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000318797686 565596533 /nfs/dbraw/zinc/59/65/33/565596533.db2.gz WDMNQMSZPSVLMP-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(Br)c1 ZINC000320454356 565602259 /nfs/dbraw/zinc/60/22/59/565602259.db2.gz CUUUMWULAYWARV-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H](C)Cc1ccsc1 ZINC000324419041 565617413 /nfs/dbraw/zinc/61/74/13/565617413.db2.gz SXCWXCFFINSKQI-SECBINFHSA-N -2 3 389.882 3.018 20 0 GGADHL O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000325927672 565622214 /nfs/dbraw/zinc/62/22/14/565622214.db2.gz WORJDQRLSUDIJW-AWEZNQCLSA-N -2 3 388.272 3.358 20 0 GGADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000326561289 565624993 /nfs/dbraw/zinc/62/49/93/565624993.db2.gz CZTCRRAVKUIVEW-ZETCQYMHSA-N -2 3 399.696 3.043 20 0 GGADHL COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000326505923 565625007 /nfs/dbraw/zinc/62/50/07/565625007.db2.gz JHQMEZOIVCBLIC-UHFFFAOYSA-N -2 3 390.244 3.179 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1C(=O)[O-] ZINC000326800392 565626217 /nfs/dbraw/zinc/62/62/17/565626217.db2.gz ZRXVFBTYUNDNGR-UHFFFAOYSA-N -2 3 375.324 3.002 20 0 GGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000326764603 565626324 /nfs/dbraw/zinc/62/63/24/565626324.db2.gz LBVZBXHJTJWCJL-UHFFFAOYSA-N -2 3 383.809 3.130 20 0 GGADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000327085484 565628261 /nfs/dbraw/zinc/62/82/61/565628261.db2.gz HJORLUOLYMYGAX-UHFFFAOYSA-N -2 3 397.758 3.437 20 0 GGADHL CCn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1C(=O)[O-] ZINC000327373246 565629544 /nfs/dbraw/zinc/62/95/44/565629544.db2.gz ADRXYPZJIPLNMZ-UHFFFAOYSA-N -2 3 380.319 3.165 20 0 GGADHL CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000327465578 565630950 /nfs/dbraw/zinc/63/09/50/565630950.db2.gz HYAQHAHNMGBVAS-UHFFFAOYSA-N -2 3 386.813 3.089 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1C(=O)[O-] ZINC000327388717 565631055 /nfs/dbraw/zinc/63/10/55/565631055.db2.gz XPFORTAGQDDONF-UHFFFAOYSA-N -2 3 375.324 3.002 20 0 GGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000174670785 565650865 /nfs/dbraw/zinc/65/08/65/565650865.db2.gz SVIRFZCZZNGOSP-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1 ZINC000410417428 565684369 /nfs/dbraw/zinc/68/43/69/565684369.db2.gz HSJWFXHDJAVJBF-UHFFFAOYSA-N -2 3 394.207 3.397 20 0 GGADHL Cc1c(Br)ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1F ZINC000193470107 565754177 /nfs/dbraw/zinc/75/41/77/565754177.db2.gz MAPAQJFLBCJFTN-UHFFFAOYSA-N -2 3 394.243 3.457 20 0 GGADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1csc2ccccc21)C(F)(F)F ZINC000285075671 565886559 /nfs/dbraw/zinc/88/65/59/565886559.db2.gz KUJNGOOTCCADAX-VIFPVBQESA-N -2 3 381.397 3.223 20 0 GGADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(F)(F)F ZINC000285313164 565900041 /nfs/dbraw/zinc/90/00/41/565900041.db2.gz ZDSULNXRKAODMV-QMMMGPOBSA-N -2 3 393.305 3.027 20 0 GGADHL Cc1oc(C)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)c1C(=O)[O-] ZINC000414337974 565912068 /nfs/dbraw/zinc/91/20/68/565912068.db2.gz XSFVRIBBZDNNAJ-QWRGUYRKSA-N -2 3 383.388 3.384 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000414353395 565913092 /nfs/dbraw/zinc/91/30/92/565913092.db2.gz YQBPSHWELBZKNY-LBPRGKRZSA-N -2 3 393.408 3.461 20 0 GGADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000232601326 565932088 /nfs/dbraw/zinc/93/20/88/565932088.db2.gz WTWSIMWVLGZOBZ-VIFPVBQESA-N -2 3 398.706 3.128 20 0 GGADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000232525752 565932155 /nfs/dbraw/zinc/93/21/55/565932155.db2.gz BACJXSILVXTKQT-UHFFFAOYSA-N -2 3 384.679 3.024 20 0 GGADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000232507714 565932644 /nfs/dbraw/zinc/93/26/44/565932644.db2.gz FVBXYLWMUXDUJH-NSHDSACASA-N -2 3 398.706 3.270 20 0 GGADHL Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000179653490 565996522 /nfs/dbraw/zinc/99/65/22/565996522.db2.gz DVDNOJMBRNLHOD-UHFFFAOYSA-N -2 3 399.266 3.087 20 0 GGADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000179998913 566024498 /nfs/dbraw/zinc/02/44/98/566024498.db2.gz AGLLQMLOOAVSSW-UHFFFAOYSA-N -2 3 388.898 3.129 20 0 GGADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000261747958 566132478 /nfs/dbraw/zinc/13/24/78/566132478.db2.gz MPOORWPDSPVIJJ-UHFFFAOYSA-N -2 3 384.679 3.024 20 0 GGADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000263537452 566188992 /nfs/dbraw/zinc/18/89/92/566188992.db2.gz AHGZYJFUJMKRNP-UHFFFAOYSA-N -2 3 384.679 3.024 20 0 GGADHL Cc1cc(Br)c([O-])c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000182916183 566229438 /nfs/dbraw/zinc/22/94/38/566229438.db2.gz ATELFQWVIBTDQP-UHFFFAOYSA-N -2 3 394.269 3.405 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C1CCCCC1 ZINC000575294674 566263850 /nfs/dbraw/zinc/26/38/50/566263850.db2.gz VTYLTBSALCOQDL-CYBMUJFWSA-N -2 3 375.874 3.051 20 0 GGADHL CCc1[n-][nH]c(=NC(=O)c2cc([O-])ccc2C(F)(F)F)c1Br ZINC000575433391 566271643 /nfs/dbraw/zinc/27/16/43/566271643.db2.gz QKKUBUQZQGCNLU-UHFFFAOYSA-N -2 3 378.148 3.133 20 0 GGADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000535053518 566274915 /nfs/dbraw/zinc/27/49/15/566274915.db2.gz KYBUDMQDMKDNSQ-UHFFFAOYSA-N -2 3 381.406 3.333 20 0 GGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c1 ZINC000509383073 566295828 /nfs/dbraw/zinc/29/58/28/566295828.db2.gz HCSAHKZJTCLWKO-UHFFFAOYSA-N -2 3 379.287 3.065 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@](C)(CCC(C)(C)C)C(=O)[O-] ZINC000556416291 566298826 /nfs/dbraw/zinc/29/88/26/566298826.db2.gz LODHMQZGPSAJQJ-MRXNPFEDSA-N -2 3 377.890 3.297 20 0 GGADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000556417331 566300624 /nfs/dbraw/zinc/30/06/24/566300624.db2.gz YWMTZUHTISZEOU-RNCFNFMXSA-N -2 3 398.308 3.070 20 0 GGADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)C2CC2)s1 ZINC000575993191 566305946 /nfs/dbraw/zinc/30/59/46/566305946.db2.gz XEXBGLRBOLCUPA-AWEZNQCLSA-N -2 3 384.454 3.027 20 0 GGADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1(C(=O)[O-])CCSCC1 ZINC000576105324 566315540 /nfs/dbraw/zinc/31/55/40/566315540.db2.gz VUKBINWCVFBYMG-UHFFFAOYSA-N -2 3 389.882 3.023 20 0 GGADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000576522109 566353041 /nfs/dbraw/zinc/35/30/41/566353041.db2.gz FYUYBOCRCKSZSM-GXTWGEPZSA-N -2 3 383.363 3.156 20 0 GGADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000421166879 566353543 /nfs/dbraw/zinc/35/35/43/566353543.db2.gz RIQFLTQRFYSJSX-TZMCWYRMSA-N -2 3 375.512 3.055 20 0 GGADHL O=C([O-])c1cnc(C=CC2=Cc3cc(Br)ccc3OC2)[n-]c1=O ZINC000670370094 566357547 /nfs/dbraw/zinc/35/75/47/566357547.db2.gz WMMZLSMUUOAQQI-RJRFIUFISA-N -2 3 375.178 3.132 20 0 GGADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCCC1 ZINC000576759499 566376480 /nfs/dbraw/zinc/37/64/80/566376480.db2.gz ZYDHMXCTDFSPIM-UHFFFAOYSA-N -2 3 396.690 3.026 20 0 GGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000536495873 566377763 /nfs/dbraw/zinc/37/77/63/566377763.db2.gz DTLZEBMMIGDQDL-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C(CNC(=O)c1ccc([O-])cc1)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000536550693 566383419 /nfs/dbraw/zinc/38/34/19/566383419.db2.gz RXCBNFKLCNDGAH-UHFFFAOYSA-N -2 3 389.622 3.427 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)c1 ZINC000447276100 566399614 /nfs/dbraw/zinc/39/96/14/566399614.db2.gz XYWQCJDHGOAERF-UHFFFAOYSA-N -2 3 381.303 3.081 20 0 GGADHL O=C([O-])[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000577062018 566400707 /nfs/dbraw/zinc/40/07/07/566400707.db2.gz CNZAXEXFVBLWRA-IUCAKERBSA-N -2 3 396.690 3.024 20 0 GGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000557685880 566409629 /nfs/dbraw/zinc/40/96/29/566409629.db2.gz OUQKCANIAMEKFR-SNVBAGLBSA-N -2 3 398.344 3.460 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1csc2ccccc21)c1cc(F)ccc1F ZINC000671644711 566433922 /nfs/dbraw/zinc/43/39/22/566433922.db2.gz CXUMLLMQZFPEGE-OAHLLOKOSA-N -2 3 383.397 3.284 20 0 GGADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000577456053 566437406 /nfs/dbraw/zinc/43/74/06/566437406.db2.gz AYGSRHSLIBXRAX-SNVBAGLBSA-N -2 3 398.706 3.270 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)CC(=O)[O-] ZINC000650409375 566452731 /nfs/dbraw/zinc/45/27/31/566452731.db2.gz UBROBTCQVFLCNA-UHFFFAOYSA-N -2 3 389.779 3.018 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)ccc1C(=O)[O-] ZINC000484786239 566454572 /nfs/dbraw/zinc/45/45/72/566454572.db2.gz FZIGBBLAEMEYOJ-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CC1 ZINC000650427744 566454648 /nfs/dbraw/zinc/45/46/48/566454648.db2.gz QWLBFHFHPKMMLZ-LLVKDONJSA-N -2 3 387.885 3.051 20 0 GGADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650421531 566454753 /nfs/dbraw/zinc/45/47/53/566454753.db2.gz MSFCJIIOTJCVOF-QMMMGPOBSA-N -2 3 389.779 3.018 20 0 GGADHL CC(=O)c1cccc(NC(=O)c2ccc(I)c([O-])c2)c1[O-] ZINC000577729901 566459618 /nfs/dbraw/zinc/45/96/18/566459618.db2.gz CELXDXJJZXFGOS-UHFFFAOYSA-N -2 3 397.168 3.157 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc(-c3ccco3)cc2F)c1 ZINC000448178977 566463242 /nfs/dbraw/zinc/46/32/42/566463242.db2.gz LOCJYBGYDMWGHG-UHFFFAOYSA-N -2 3 381.406 3.324 20 0 GGADHL CC(C)c1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)on1 ZINC000650669169 566470372 /nfs/dbraw/zinc/47/03/72/566470372.db2.gz NRSFNFPFGZIRQD-UHFFFAOYSA-N -2 3 386.495 3.334 20 0 GGADHL CSc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000464423422 566475577 /nfs/dbraw/zinc/47/55/77/566475577.db2.gz ZQHVIDQGHKTPRX-UHFFFAOYSA-N -2 3 381.870 3.043 20 0 GGADHL CSc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000464423422 566475580 /nfs/dbraw/zinc/47/55/80/566475580.db2.gz ZQHVIDQGHKTPRX-UHFFFAOYSA-N -2 3 381.870 3.043 20 0 GGADHL CC(C)(C)CC[C@@](C)([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000558473011 566477786 /nfs/dbraw/zinc/47/77/86/566477786.db2.gz IVCVJNWRNSKFOV-CQSZACIVSA-N -2 3 382.404 3.048 20 0 GGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000485291995 566488016 /nfs/dbraw/zinc/48/80/16/566488016.db2.gz SGVACULDRHKKHK-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(F)F ZINC000578261888 566506739 /nfs/dbraw/zinc/50/67/39/566506739.db2.gz FEASRHFBLYECNP-MRVPVSSYSA-N -2 3 383.825 3.189 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC000578503930 566528561 /nfs/dbraw/zinc/52/85/61/566528561.db2.gz SEMLYZQOYKOHGZ-GFCCVEGCSA-N -2 3 387.866 3.455 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2ccc(Br)cc2)c1F ZINC000559198587 566533408 /nfs/dbraw/zinc/53/34/08/566533408.db2.gz JOTRYEXZLNCLPH-UHFFFAOYSA-N -2 3 388.214 3.228 20 0 GGADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)o1 ZINC000578632414 566540962 /nfs/dbraw/zinc/54/09/62/566540962.db2.gz WPJIFVLIQBCJCW-UHFFFAOYSA-N -2 3 386.495 3.081 20 0 GGADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000578766334 566551920 /nfs/dbraw/zinc/55/19/20/566551920.db2.gz NEXQFRMRIJRATR-UHFFFAOYSA-N -2 3 385.816 3.253 20 0 GGADHL O=C([O-])c1sc(-c2ccccc2)cc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000539239709 566570741 /nfs/dbraw/zinc/57/07/41/566570741.db2.gz ZJGZIFZZPHFQGW-CYBMUJFWSA-N -2 3 381.475 3.424 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000539398376 566578848 /nfs/dbraw/zinc/57/88/48/566578848.db2.gz BJTGCBKLUYZSKV-UHFFFAOYSA-N -2 3 379.768 3.456 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](CCc2ccc(F)cc2)C(=O)[O-])sc1Cl ZINC000560083944 566596370 /nfs/dbraw/zinc/59/63/70/566596370.db2.gz WTGHGCWRVOYLKK-LBPRGKRZSA-N -2 3 391.873 3.213 20 0 GGADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c(C(=O)[O-])c3)cc(Cl)c2O1 ZINC000605495969 566610438 /nfs/dbraw/zinc/61/04/38/566610438.db2.gz HQKHVHXWBQDRHZ-MRVPVSSYSA-N -2 3 385.800 3.302 20 0 GGADHL Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n1 ZINC000579468796 566610759 /nfs/dbraw/zinc/61/07/59/566610759.db2.gz KYUKVBKMGSWROW-MRVPVSSYSA-N -2 3 394.396 3.208 20 0 GGADHL COc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1[N-]S(C)(=O)=O ZINC000486952158 566638284 /nfs/dbraw/zinc/63/82/84/566638284.db2.gz XSPSADSQDPHPBJ-UHFFFAOYSA-N -2 3 385.829 3.070 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](c1cccc(C)c1)C(C)C ZINC000629343543 566648136 /nfs/dbraw/zinc/64/81/36/566648136.db2.gz YCGVTVATNCRXMV-OAHLLOKOSA-N -2 3 383.491 3.439 20 0 GGADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000579922215 566650575 /nfs/dbraw/zinc/65/05/75/566650575.db2.gz CLTJVIRJLFYYIX-VHSXEESVSA-N -2 3 396.328 3.213 20 0 GGADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000579922213 566651170 /nfs/dbraw/zinc/65/11/70/566651170.db2.gz CLTJVIRJLFYYIX-NXEZZACHSA-N -2 3 396.328 3.213 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)c(Cl)c1 ZINC000579937953 566652485 /nfs/dbraw/zinc/65/24/85/566652485.db2.gz QJKXBOCIYYJJPM-UHFFFAOYSA-N -2 3 379.821 3.358 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)c1 ZINC000540498649 566654756 /nfs/dbraw/zinc/65/47/56/566654756.db2.gz IYYFKGATJDSYCL-UHFFFAOYSA-N -2 3 379.825 3.041 20 0 GGADHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000580013580 566658565 /nfs/dbraw/zinc/65/85/65/566658565.db2.gz WUNWBWAPWFSNFS-UHFFFAOYSA-N -2 3 375.233 3.323 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653495188 566671784 /nfs/dbraw/zinc/67/17/84/566671784.db2.gz YNNVMBYBMSRMJV-LPEHRKFASA-N -2 3 380.293 3.407 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653493528 566672160 /nfs/dbraw/zinc/67/21/60/566672160.db2.gz ZDQHEEZHMBQNFD-HRDYMLBCSA-N -2 3 385.429 3.181 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653493327 566672556 /nfs/dbraw/zinc/67/25/56/566672556.db2.gz SKCROFSFHWXSPN-INTQDDNPSA-N -2 3 380.293 3.407 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653494531 566672609 /nfs/dbraw/zinc/67/26/09/566672609.db2.gz CVASIXBRNIGCNX-INTQDDNPSA-N -2 3 380.293 3.407 20 0 GGADHL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)CCC(F)(F)F ZINC000561134893 566678554 /nfs/dbraw/zinc/67/85/54/566678554.db2.gz VNBGLPFDFBGNRK-UHFFFAOYSA-N -2 3 390.177 3.150 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC(C)(C)c1ccccc1C ZINC000580308397 566682779 /nfs/dbraw/zinc/68/27/79/566682779.db2.gz ARARDIMOSGAHIG-UHFFFAOYSA-N -2 3 383.491 3.019 20 0 GGADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)s1 ZINC000515027934 566685590 /nfs/dbraw/zinc/68/55/90/566685590.db2.gz DSWDOPNLKPZOQD-LBPRGKRZSA-N -2 3 395.289 3.117 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])c(C)o2)cc1Cl ZINC000541000021 566685899 /nfs/dbraw/zinc/68/58/99/566685899.db2.gz SQORUSOFODURSV-UHFFFAOYSA-N -2 3 394.232 3.080 20 0 GGADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000580636740 566710707 /nfs/dbraw/zinc/71/07/07/566710707.db2.gz JBZZUCFPEKDMKO-GFCCVEGCSA-N -2 3 393.248 3.093 20 0 GGADHL CCN=c1[n-]c(C(=O)Nc2cc(Cl)cc(Br)c2[O-])cs1 ZINC000426632571 566722218 /nfs/dbraw/zinc/72/22/18/566722218.db2.gz XQDJUFVKGOXKKZ-UHFFFAOYSA-N -2 3 376.663 3.371 20 0 GGADHL CCc1nc(CNCc2ccc(OC)c([O-])c2Br)ccc1C(=O)[O-] ZINC000426649985 566722632 /nfs/dbraw/zinc/72/26/32/566722632.db2.gz ZILHHDKJIKYLOZ-UHFFFAOYSA-N -2 3 395.253 3.109 20 0 GGADHL COc1ccc(CNCc2ccccc2CC(=O)[O-])c(Br)c1[O-] ZINC000426715573 566725426 /nfs/dbraw/zinc/72/54/26/566725426.db2.gz RYYAKQDDDSXCFP-UHFFFAOYSA-N -2 3 380.238 3.080 20 0 GGADHL C/C=C\c1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cc1 ZINC000561702559 566730720 /nfs/dbraw/zinc/73/07/20/566730720.db2.gz VWIBQFYVHBHIAE-ARJAWSKDSA-N -2 3 384.454 3.031 20 0 GGADHL COc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c(Br)c1[O-] ZINC000426812184 566730906 /nfs/dbraw/zinc/73/09/06/566730906.db2.gz PXHNRADBHKMHRI-AWEZNQCLSA-N -2 3 384.201 3.218 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1(C)CCCCC1 ZINC000580932052 566735866 /nfs/dbraw/zinc/73/58/66/566735866.db2.gz OJSWIZMBYBEKRQ-CQSZACIVSA-N -2 3 375.874 3.051 20 0 GGADHL COCCc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000451044059 566742181 /nfs/dbraw/zinc/74/21/81/566742181.db2.gz USFAWBSXPREYFR-UHFFFAOYSA-N -2 3 375.368 3.401 20 0 GGADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000654780657 566752826 /nfs/dbraw/zinc/75/28/26/566752826.db2.gz ODWWVUJYFJFOEZ-NXEZZACHSA-N -2 3 385.429 3.469 20 0 GGADHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000427322792 566765349 /nfs/dbraw/zinc/76/53/49/566765349.db2.gz VQBAGTNGGXMFQW-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3F)cc(Cl)c2O1 ZINC000427334308 566767688 /nfs/dbraw/zinc/76/76/88/566767688.db2.gz IECADYNRUNZOAW-QMMMGPOBSA-N -2 3 385.800 3.302 20 0 GGADHL Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427351027 566769244 /nfs/dbraw/zinc/76/92/44/566769244.db2.gz XGUUUSPJKPDMRJ-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000562226702 566772195 /nfs/dbraw/zinc/77/21/95/566772195.db2.gz AHPCSFLMUNJKCE-UHFFFAOYSA-N -2 3 377.315 3.272 20 0 GGADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1F ZINC000489552702 566794550 /nfs/dbraw/zinc/79/45/50/566794550.db2.gz QEPHWROQGUPZKL-UHFFFAOYSA-N -2 3 377.752 3.126 20 0 GGADHL CC(C)c1csc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])n1 ZINC000451320531 566795934 /nfs/dbraw/zinc/79/59/34/566795934.db2.gz LQBXVHIUDOKICG-UHFFFAOYSA-N -2 3 380.413 3.469 20 0 GGADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F ZINC000582299014 566849832 /nfs/dbraw/zinc/84/98/32/566849832.db2.gz OQWWOZYEUBINJA-NSHDSACASA-N -2 3 393.408 3.379 20 0 GGADHL CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000563072822 566850492 /nfs/dbraw/zinc/85/04/92/566850492.db2.gz PWIZQWIKULHACU-HNNXBMFYSA-N -2 3 388.898 3.407 20 0 GGADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000563072823 566851254 /nfs/dbraw/zinc/85/12/54/566851254.db2.gz PWIZQWIKULHACU-OAHLLOKOSA-N -2 3 388.898 3.407 20 0 GGADHL O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1ccc(Br)c([O-])c1 ZINC000490606095 566869127 /nfs/dbraw/zinc/86/91/27/566869127.db2.gz HRZWAJSCAIYVTI-UHFFFAOYSA-N -2 3 394.175 3.497 20 0 GGADHL CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1)C(=O)[O-] ZINC000490846932 566882044 /nfs/dbraw/zinc/88/20/44/566882044.db2.gz HUTNQSKGUHJBBH-ZDUSSCGKSA-N -2 3 375.874 3.051 20 0 GGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656509534 566906854 /nfs/dbraw/zinc/90/68/54/566906854.db2.gz VVUCRMHNCRRLFZ-UHFFFAOYSA-N -2 3 384.679 3.026 20 0 GGADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000543770533 566909702 /nfs/dbraw/zinc/90/97/02/566909702.db2.gz ZAGIDFAFKVJCCT-SECBINFHSA-N -2 3 396.278 3.146 20 0 GGADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1C(=O)[O-] ZINC000543785259 566909768 /nfs/dbraw/zinc/90/97/68/566909768.db2.gz JMGWZHXUOPHYNU-UHFFFAOYSA-N -2 3 397.758 3.437 20 0 GGADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)ccc1[O-])C1CCCC1 ZINC000656623610 566925911 /nfs/dbraw/zinc/92/59/11/566925911.db2.gz HXNUVBHPLIZWRP-AWEZNQCLSA-N -2 3 378.288 3.102 20 0 GGADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1)C1CCCC1 ZINC000656630115 566926519 /nfs/dbraw/zinc/92/65/19/566926519.db2.gz WNKWJSQEBUJCCI-WBMJQRKESA-N -2 3 387.523 3.199 20 0 GGADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000519806982 566970231 /nfs/dbraw/zinc/97/02/31/566970231.db2.gz LGBSXWFSPNMXKU-MRVPVSSYSA-N -2 3 384.679 3.024 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c(Cl)cc1F ZINC000681558521 566984922 /nfs/dbraw/zinc/98/49/22/566984922.db2.gz RYXGBOGQVVWBDT-NSHDSACASA-N -2 3 377.846 3.343 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1cccs1 ZINC000681557768 566985499 /nfs/dbraw/zinc/98/54/99/566985499.db2.gz MRRYJKROLPPQJG-GFCCVEGCSA-N -2 3 394.499 3.366 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC000681559754 566985810 /nfs/dbraw/zinc/98/58/10/566985810.db2.gz QWZCFIVYBGPQSQ-OAHLLOKOSA-N -2 3 383.853 3.151 20 0 GGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccs1 ZINC000681556936 566985903 /nfs/dbraw/zinc/98/59/03/566985903.db2.gz GLZNAAQPMWCCJR-GFCCVEGCSA-N -2 3 383.422 3.436 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccccc1Cl)c1ccc(F)cc1F ZINC000681576185 566988240 /nfs/dbraw/zinc/98/82/40/566988240.db2.gz XOGGOMZBUILROD-ZDUSSCGKSA-N -2 3 375.780 3.113 20 0 GGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000681577427 566989602 /nfs/dbraw/zinc/98/96/02/566989602.db2.gz ULZSCZVNVOXSLO-GFCCVEGCSA-N -2 3 388.272 3.215 20 0 GGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)Cc1ccccc1 ZINC000681577146 566989845 /nfs/dbraw/zinc/98/98/45/566989845.db2.gz MKFFPZKWJIEBHD-LBPRGKRZSA-N -2 3 388.272 3.215 20 0 GGADHL Cc1cc(Br)cc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c1 ZINC000564780923 567008077 /nfs/dbraw/zinc/00/80/77/567008077.db2.gz ITFDKVBJAZUIOV-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CCCSC[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000584088816 567009886 /nfs/dbraw/zinc/00/98/86/567009886.db2.gz IATAOYWITLPLPX-LLVKDONJSA-N -2 3 393.939 3.429 20 0 GGADHL CCCSC[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000584088817 567010583 /nfs/dbraw/zinc/01/05/83/567010583.db2.gz IATAOYWITLPLPX-NSHDSACASA-N -2 3 393.939 3.429 20 0 GGADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CC1 ZINC000564808886 567011455 /nfs/dbraw/zinc/01/14/55/567011455.db2.gz BQNVKMVMUVGFRL-MGCOHNPYSA-N -2 3 397.827 3.111 20 0 GGADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC000564851499 567012529 /nfs/dbraw/zinc/01/25/29/567012529.db2.gz JEZWANOERFVMRH-KOLCDFICSA-N -2 3 388.536 3.348 20 0 GGADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000430378457 567014720 /nfs/dbraw/zinc/01/47/20/567014720.db2.gz SBSMCEJYJOKULA-VIFPVBQESA-N -2 3 398.706 3.128 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC(C)(C)Cc1ccccc1 ZINC000564919511 567020879 /nfs/dbraw/zinc/02/08/79/567020879.db2.gz DDALKSOFXRBXAZ-UHFFFAOYSA-N -2 3 383.491 3.002 20 0 GGADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc(Br)ccc2[O-])no1 ZINC000430978409 567044234 /nfs/dbraw/zinc/04/42/34/567044234.db2.gz JKALNCQCOZORDT-UHFFFAOYSA-N -2 3 389.271 3.382 20 0 GGADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000565340878 567059239 /nfs/dbraw/zinc/05/92/39/567059239.db2.gz BKVGGXFUXHJIDY-PWSUYJOCSA-N -2 3 383.363 3.156 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)C(C)C)c(F)c2)cs1 ZINC000634797871 567063878 /nfs/dbraw/zinc/06/38/78/567063878.db2.gz YXYHLHBXMOTAPZ-UHFFFAOYSA-N -2 3 392.499 3.147 20 0 GGADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2csc(C)c2)cc1F ZINC000634797685 567063961 /nfs/dbraw/zinc/06/39/61/567063961.db2.gz QUUOJYLSFSJANH-UHFFFAOYSA-N -2 3 392.499 3.148 20 0 GGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000565415602 567065812 /nfs/dbraw/zinc/06/58/12/567065812.db2.gz ZVVICQLPGBYTCQ-SECBINFHSA-N -2 3 385.816 3.253 20 0 GGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000565415604 567065905 /nfs/dbraw/zinc/06/59/05/567065905.db2.gz ZVVICQLPGBYTCQ-VIFPVBQESA-N -2 3 385.816 3.253 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(F)ccc2F)sc1Cl ZINC000682698300 567067280 /nfs/dbraw/zinc/06/72/80/567067280.db2.gz IYFCRRZCYMUMFH-NSHDSACASA-N -2 3 381.809 3.092 20 0 GGADHL CC(C)Sc1nc([N-]S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)n[n-]1 ZINC000682806915 567072884 /nfs/dbraw/zinc/07/28/84/567072884.db2.gz GGQHOGSZYFDCKG-UHFFFAOYSA-N -2 3 396.416 3.146 20 0 GGADHL COc1ccsc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000584874449 567077055 /nfs/dbraw/zinc/07/70/55/567077055.db2.gz SPMQFYRXRYNMGY-LLVKDONJSA-N -2 3 396.273 3.168 20 0 GGADHL CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000546265527 567118936 /nfs/dbraw/zinc/11/89/36/567118936.db2.gz GYFHDRONHNCPHD-OLZOCXBDSA-N -2 3 375.487 3.175 20 0 GGADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)C2CC2)s1 ZINC000546262389 567119128 /nfs/dbraw/zinc/11/91/28/567119128.db2.gz LUMQLBQRPAFOGT-CQSZACIVSA-N -2 3 384.454 3.027 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cc1F ZINC000432073064 567128888 /nfs/dbraw/zinc/12/88/88/567128888.db2.gz VUXWGKBSPIRVBO-UHFFFAOYSA-N -2 3 383.784 3.107 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000432083297 567130796 /nfs/dbraw/zinc/13/07/96/567130796.db2.gz WPXZYFCHNZZAFN-UHFFFAOYSA-N -2 3 379.821 3.276 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000683729701 567149222 /nfs/dbraw/zinc/14/92/22/567149222.db2.gz YDQJSIWZJABVDV-CQSZACIVSA-N -2 3 390.244 3.106 20 0 GGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)C2CC2)n1 ZINC000546969815 567174578 /nfs/dbraw/zinc/17/45/78/567174578.db2.gz GTWKIKYQFWFVOB-CQSZACIVSA-N -2 3 384.454 3.027 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1 ZINC000566658655 567176849 /nfs/dbraw/zinc/17/68/49/567176849.db2.gz FWVQCVOVGPDZKW-UHFFFAOYSA-N -2 3 375.874 3.052 20 0 GGADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000547549839 567219040 /nfs/dbraw/zinc/21/90/40/567219040.db2.gz HOCKYFCFDXBZHL-MGCOHNPYSA-N -2 3 383.363 3.014 20 0 GGADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)CC(=O)[O-] ZINC000547558942 567220000 /nfs/dbraw/zinc/22/00/00/567220000.db2.gz QAODIYFICCUUQW-SECBINFHSA-N -2 3 396.278 3.004 20 0 GGADHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H](Cc2ccccc2Cl)C(=O)[O-])c1 ZINC000547557128 567220612 /nfs/dbraw/zinc/22/06/12/567220612.db2.gz HLVNBKPGUOEPRQ-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)(CC(=O)[O-])C1 ZINC000547564037 567221718 /nfs/dbraw/zinc/22/17/18/567221718.db2.gz YZBNXLWGCGRDHH-ABAIWWIYSA-N -2 3 379.400 3.265 20 0 GGADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)(CC(=O)[O-])C1 ZINC000547564039 567221929 /nfs/dbraw/zinc/22/19/29/567221929.db2.gz YZBNXLWGCGRDHH-NHYWBVRUSA-N -2 3 379.400 3.265 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])c(Cl)c1Cl ZINC000547565137 567222009 /nfs/dbraw/zinc/22/20/09/567222009.db2.gz JCQHVZOHAOJTDW-IAQYHMDHSA-N -2 3 396.292 3.314 20 0 GGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000547572183 567222971 /nfs/dbraw/zinc/22/29/71/567222971.db2.gz IGCXNPPSYFRCQJ-VIFPVBQESA-N -2 3 398.706 3.414 20 0 GGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000547572676 567223181 /nfs/dbraw/zinc/22/31/81/567223181.db2.gz NEKRXQXHSCGFGZ-SECBINFHSA-N -2 3 398.706 3.414 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)CC(=O)[O-] ZINC000547572039 567223304 /nfs/dbraw/zinc/22/33/04/567223304.db2.gz MERCRWYHDKJLHO-JTQLQIEISA-N -2 3 396.278 3.004 20 0 GGADHL O=C([O-])[C@H](CCCc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000547572929 567223319 /nfs/dbraw/zinc/22/33/19/567223319.db2.gz QDQHMGLVGMTULL-HNNXBMFYSA-N -2 3 385.844 3.234 20 0 GGADHL Cc1ccc(C[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2Cl)C(=O)[O-])cc1 ZINC000547575233 567224331 /nfs/dbraw/zinc/22/43/31/567224331.db2.gz VTQYQXHXXLEQQR-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])s1 ZINC000547576484 567224629 /nfs/dbraw/zinc/22/46/29/567224629.db2.gz LOCZBTWSQBBINB-MRVPVSSYSA-N -2 3 384.317 3.131 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1cc(F)ccc1F ZINC000684655688 567225206 /nfs/dbraw/zinc/22/52/06/567225206.db2.gz SUGJEQPAHPQVNR-ZDUSSCGKSA-N -2 3 396.198 3.376 20 0 GGADHL CCSCc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000525016928 567225549 /nfs/dbraw/zinc/22/55/49/567225549.db2.gz XYDJNDWADZXANZ-UHFFFAOYSA-N -2 3 381.475 3.204 20 0 GGADHL O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)c1ccccc1F ZINC000547615977 567231333 /nfs/dbraw/zinc/23/13/33/567231333.db2.gz QYMZKXNGWYCPMI-ZDUSSCGKSA-N -2 3 392.235 3.107 20 0 GGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547616914 567233306 /nfs/dbraw/zinc/23/33/06/567233306.db2.gz FDDHYOXHHHPZCR-VHSXEESVSA-N -2 3 396.278 3.146 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])s1 ZINC000547618106 567233748 /nfs/dbraw/zinc/23/37/48/567233748.db2.gz VGCWDYVLABGICP-BDAKNGLRSA-N -2 3 398.344 3.377 20 0 GGADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-])C1CC1 ZINC000567293427 567234775 /nfs/dbraw/zinc/23/47/75/567234775.db2.gz DTZXFRNWVHNKFQ-KRTXAFLBSA-N -2 3 385.791 3.136 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])c(Cl)c1Cl ZINC000547639866 567235062 /nfs/dbraw/zinc/23/50/62/567235062.db2.gz HKBWEZPFYGLRHU-MRVPVSSYSA-N -2 3 384.281 3.170 20 0 GGADHL O=C([O-])[C@H](CC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)Cc1ccccc1 ZINC000547701882 567239587 /nfs/dbraw/zinc/23/95/87/567239587.db2.gz DOCZSNYYBDBMCA-CYBMUJFWSA-N -2 3 385.844 3.091 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)cc1Cl ZINC000547869340 567252588 /nfs/dbraw/zinc/25/25/88/567252588.db2.gz AHECSHCNTLNYJA-LBPRGKRZSA-N -2 3 396.273 3.168 20 0 GGADHL Cc1cc(C)cc(C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)C(=O)[O-])c1 ZINC000547874454 567253194 /nfs/dbraw/zinc/25/31/94/567253194.db2.gz ACZMIMGRJHACNU-HNNXBMFYSA-N -2 3 385.844 3.070 20 0 GGADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000547873551 567253529 /nfs/dbraw/zinc/25/35/29/567253529.db2.gz NHJWXYLVOBWUPU-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL O=C([O-])[C@@H](CCCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000547893657 567257764 /nfs/dbraw/zinc/25/77/64/567257764.db2.gz RBNLJRWJXMETOA-OAHLLOKOSA-N -2 3 385.844 3.234 20 0 GGADHL CCc1nc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)ccc1C(=O)[O-] ZINC000547897173 567257837 /nfs/dbraw/zinc/25/78/37/567257837.db2.gz SZNRMYFVYCGFNG-UHFFFAOYSA-N -2 3 389.260 3.128 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])sc1Br ZINC000547899586 567259803 /nfs/dbraw/zinc/25/98/03/567259803.db2.gz CDUWUPPMSANAGT-VIFPVBQESA-N -2 3 384.317 3.131 20 0 GGADHL C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000567609709 567261426 /nfs/dbraw/zinc/26/14/26/567261426.db2.gz XJXDXVUFVFZHHC-MEBBXXQBSA-N -2 3 397.827 3.253 20 0 GGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1F ZINC000547935537 567266874 /nfs/dbraw/zinc/26/68/74/567266874.db2.gz HXCBAEXVBAMAOT-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(Cl)c(F)c1 ZINC000547937015 567267382 /nfs/dbraw/zinc/26/73/82/567267382.db2.gz XSJSFKQGRZZNDG-ZDUSSCGKSA-N -2 3 397.733 3.001 20 0 GGADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000526060297 567288041 /nfs/dbraw/zinc/28/80/41/567288041.db2.gz XHURQNCKFSJECO-GFCCVEGCSA-N -2 3 389.901 3.298 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2F)c(Cl)cc1F ZINC000548197412 567287985 /nfs/dbraw/zinc/28/79/85/567287985.db2.gz WJMQYLRECPPJMZ-AWEZNQCLSA-N -2 3 375.780 3.031 20 0 GGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)ccc1C ZINC000548197423 567288087 /nfs/dbraw/zinc/28/80/87/567288087.db2.gz WTCOVTISHHBGDR-UHFFFAOYSA-N -2 3 382.825 3.106 20 0 GGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1cccc(Cl)c1 ZINC000548208201 567289852 /nfs/dbraw/zinc/28/98/52/567289852.db2.gz ZDMOIKQDMRWXKE-SNVBAGLBSA-N -2 3 394.301 3.277 20 0 GGADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c(Cl)c1 ZINC000591682257 567292169 /nfs/dbraw/zinc/29/21/69/567292169.db2.gz KQXMHWOBICWPBJ-UHFFFAOYSA-N -2 3 388.854 3.167 20 0 GGADHL Cc1cc([C@@H]([N-]S(=O)(=O)c2cccc(F)c2F)C(=O)[O-])ccc1Cl ZINC000548230057 567294058 /nfs/dbraw/zinc/29/40/58/567294058.db2.gz WNCHOEITIDRACD-CQSZACIVSA-N -2 3 375.780 3.031 20 0 GGADHL COc1ccsc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000548234467 567294290 /nfs/dbraw/zinc/29/42/90/567294290.db2.gz GWJBBVCKWGHRTK-LLVKDONJSA-N -2 3 396.273 3.168 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1F ZINC000548241662 567297394 /nfs/dbraw/zinc/29/73/94/567297394.db2.gz RSYSKVQYKNURNR-ZDUSSCGKSA-N -2 3 375.780 3.113 20 0 GGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000548259792 567299415 /nfs/dbraw/zinc/29/94/15/567299415.db2.gz BCLPDKXRCVGTPU-VHSXEESVSA-N -2 3 385.379 3.402 20 0 GGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000548259791 567299811 /nfs/dbraw/zinc/29/98/11/567299811.db2.gz BCLPDKXRCVGTPU-UWVGGRQHSA-N -2 3 385.379 3.402 20 0 GGADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000548264302 567300810 /nfs/dbraw/zinc/30/08/10/567300810.db2.gz KYQULOLTGDFLGF-AWEZNQCLSA-N -2 3 375.780 3.031 20 0 GGADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000548262408 567301143 /nfs/dbraw/zinc/30/11/43/567301143.db2.gz QFZQSEKIFWBFAI-LLVKDONJSA-N -2 3 398.706 3.270 20 0 GGADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000548264303 567301324 /nfs/dbraw/zinc/30/13/24/567301324.db2.gz KYQULOLTGDFLGF-CQSZACIVSA-N -2 3 375.780 3.031 20 0 GGADHL O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)c1cccs1 ZINC000548268397 567302382 /nfs/dbraw/zinc/30/23/82/567302382.db2.gz OZDWNDUJAZUFFW-NSHDSACASA-N -2 3 380.274 3.029 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000548269360 567302711 /nfs/dbraw/zinc/30/27/11/567302711.db2.gz XGLWGZRWUBTURT-MRXNPFEDSA-N -2 3 383.853 3.070 20 0 GGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)c1 ZINC000476247209 567307053 /nfs/dbraw/zinc/30/70/53/567307053.db2.gz DJIUHIKGFBYOKC-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000476291980 567312354 /nfs/dbraw/zinc/31/23/54/567312354.db2.gz XPRLUKGEIXPNEA-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1Cl ZINC000500361062 567316207 /nfs/dbraw/zinc/31/62/07/567316207.db2.gz IIUNXYCFEPSAGO-UHFFFAOYSA-N -2 3 394.207 3.397 20 0 GGADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000476385922 567318768 /nfs/dbraw/zinc/31/87/68/567318768.db2.gz NJUCDZFMNPCUHU-UHFFFAOYSA-N -2 3 377.752 3.126 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)c1Cl ZINC000548532690 567323042 /nfs/dbraw/zinc/32/30/42/567323042.db2.gz HSKYRMUKZAELBK-XYPYZODXSA-N -2 3 380.293 3.471 20 0 GGADHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H](Cc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000548531803 567323364 /nfs/dbraw/zinc/32/33/64/567323364.db2.gz WRDZVGIYBLXKEP-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1 ZINC000476440009 567324422 /nfs/dbraw/zinc/32/44/22/567324422.db2.gz XNIIAPCACDXNIB-UHFFFAOYSA-N -2 3 375.780 3.436 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2CC(=O)[O-])c1Cl ZINC000548542402 567326232 /nfs/dbraw/zinc/32/62/32/567326232.db2.gz KQLISFIRVBAHSF-UHFFFAOYSA-N -2 3 388.272 3.407 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])c(Cl)c1Cl ZINC000548549457 567327006 /nfs/dbraw/zinc/32/70/06/567327006.db2.gz OZEXLTCMOALYBX-SECBINFHSA-N -2 3 384.281 3.314 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)cc1Cl ZINC000548556701 567328135 /nfs/dbraw/zinc/32/81/35/567328135.db2.gz ZBCHNBXGOZGGMX-JTQLQIEISA-N -2 3 398.308 3.417 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)c1c(Cl)cccc1Cl ZINC000548558979 567330059 /nfs/dbraw/zinc/33/00/59/567330059.db2.gz DRJNWIDWAGAYJJ-ZDUSSCGKSA-N -2 3 396.198 3.376 20 0 GGADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)CC(=O)[O-] ZINC000527301772 567329959 /nfs/dbraw/zinc/32/99/59/567329959.db2.gz UFAKUKCZEDPOEA-LBPRGKRZSA-N -2 3 389.901 3.298 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(Cl)c2)c(F)cc1F ZINC000548560617 567330080 /nfs/dbraw/zinc/33/00/80/567330080.db2.gz AXHQTVKAMSLDPA-CQSZACIVSA-N -2 3 389.807 3.421 20 0 GGADHL O=C([O-])[C@@H](Cc1ccc(Cl)c(Cl)c1)[N-]S(=O)(=O)c1cccs1 ZINC000568469611 567331490 /nfs/dbraw/zinc/33/14/90/567331490.db2.gz BETASQSNDHLMJD-LLVKDONJSA-N -2 3 380.274 3.029 20 0 GGADHL O=C([O-])[C@H](Cc1ccc(Cl)c(Cl)c1)[N-]S(=O)(=O)c1cccs1 ZINC000568469612 567332258 /nfs/dbraw/zinc/33/22/58/567332258.db2.gz BETASQSNDHLMJD-NSHDSACASA-N -2 3 380.274 3.029 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1cccc(Cl)c1 ZINC000548591443 567334315 /nfs/dbraw/zinc/33/43/15/567334315.db2.gz JQKONPSNGGBIQT-CYBMUJFWSA-N -2 3 378.208 3.237 20 0 GGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000548596652 567335866 /nfs/dbraw/zinc/33/58/66/567335866.db2.gz RIUCVQHAZDAZSJ-QWHCGFSZSA-N -2 3 382.507 3.368 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC[C@H](C)C2)c(Cl)c1Cl ZINC000548770097 567349021 /nfs/dbraw/zinc/34/90/21/567349021.db2.gz LAPLXZMUSUWDGZ-VFZGTOFNSA-N -2 3 396.292 3.314 20 0 GGADHL C[C@@H]1CCC[C@@]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)(C(=O)[O-])C1 ZINC000548771030 567349771 /nfs/dbraw/zinc/34/97/71/567349771.db2.gz RFOYZKUMXTXOHQ-OTYXRUKQSA-N -2 3 383.363 3.156 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1F ZINC000569061875 567376438 /nfs/dbraw/zinc/37/64/38/567376438.db2.gz QGRFSMVFPDIVKW-UHFFFAOYSA-N -2 3 377.315 3.485 20 0 GGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000436632749 567439860 /nfs/dbraw/zinc/43/98/60/567439860.db2.gz FWGZARJPUQWKIM-UHFFFAOYSA-N -2 3 376.217 3.286 20 0 GGADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(Cl)cc2[O-])cc1OC ZINC000436721336 567446066 /nfs/dbraw/zinc/44/60/66/567446066.db2.gz JDLVDURYBIRAQU-UHFFFAOYSA-N -2 3 384.841 3.068 20 0 GGADHL O=c1[n-]c(-c2ccc([O-])c(I)c2)nc2ccc([O-])cc12 ZINC000436751423 567449197 /nfs/dbraw/zinc/44/91/97/567449197.db2.gz RVVMRHCMQJEEII-UHFFFAOYSA-N -3 3 380.141 3.018 20 0 GGADHL CCOC(=O)c1cnc(C(C)=Cc2ccc([O-])c(Br)c2)[n-]c1=O ZINC000436814619 567454268 /nfs/dbraw/zinc/45/42/68/567454268.db2.gz IKSIQLJOXFPUSA-TWGQIWQCSA-N -2 3 379.210 3.388 20 0 GGADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000570232136 567469027 /nfs/dbraw/zinc/46/90/27/567469027.db2.gz VFNWNMXLLMQBRG-LLVKDONJSA-N -2 3 398.706 3.270 20 0 GGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)c1 ZINC000436959109 567470953 /nfs/dbraw/zinc/47/09/53/567470953.db2.gz FRJZHZSXHMDPDR-UHFFFAOYSA-N -3 3 393.751 3.146 20 0 GGADHL CC(C)(C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436990993 567472130 /nfs/dbraw/zinc/47/21/30/567472130.db2.gz RZBHIJPXVCAVDF-UHFFFAOYSA-N -2 3 382.869 3.375 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c1Cl ZINC000551241309 567490639 /nfs/dbraw/zinc/49/06/39/567490639.db2.gz KOMUQAJWCBVADC-SKDRFNHKSA-N -2 3 398.308 3.237 20 0 GGADHL Cc1nc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c(-c2ccccc2)s1 ZINC000663285518 567490965 /nfs/dbraw/zinc/49/09/65/567490965.db2.gz IFNWREORAWECQS-UHFFFAOYSA-N -2 3 380.491 3.040 20 0 GGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)s1 ZINC000663294182 567491587 /nfs/dbraw/zinc/49/15/87/567491587.db2.gz PJFVLTIRYKOTDO-VIFPVBQESA-N -2 3 387.445 3.367 20 0 GGADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(F)(F)F ZINC000663294718 567492230 /nfs/dbraw/zinc/49/22/30/567492230.db2.gz YUWIYNNLFIPZDZ-QMMMGPOBSA-N -2 3 393.305 3.027 20 0 GGADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1 ZINC000643122302 567493445 /nfs/dbraw/zinc/49/34/45/567493445.db2.gz HZWYACMKDQOFJR-NSHDSACASA-N -2 3 393.408 3.304 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1cccs1 ZINC000643121711 567493838 /nfs/dbraw/zinc/49/38/38/567493838.db2.gz BXWYUXGEHRESRG-SSDOTTSWSA-N -2 3 385.410 3.323 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2cccc(Cl)c2Cl)c1 ZINC000551293032 567494513 /nfs/dbraw/zinc/49/45/13/567494513.db2.gz CPGIUMIAYPADGL-UHFFFAOYSA-N -2 3 380.274 3.274 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCOc3cc(Cl)ccc32)oc1C(=O)[O-] ZINC000663423718 567506952 /nfs/dbraw/zinc/50/69/52/567506952.db2.gz DSDISXIVDOSYNU-LBPRGKRZSA-N -2 3 385.825 3.132 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3Cl)CC2)oc1C(=O)[O-] ZINC000663424978 567507407 /nfs/dbraw/zinc/50/74/07/567507407.db2.gz PTCIANDJPSXMPK-UHFFFAOYSA-N -2 3 387.816 3.089 20 0 GGADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cc1F ZINC000479232534 567517755 /nfs/dbraw/zinc/51/77/55/567517755.db2.gz SYSOBFHJJASNRO-UHFFFAOYSA-N -2 3 391.779 3.434 20 0 GGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1Br ZINC000479268053 567520148 /nfs/dbraw/zinc/52/01/48/567520148.db2.gz BMCOJYNPEHFGNX-UHFFFAOYSA-N -2 3 394.243 3.457 20 0 GGADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000504517568 567538850 /nfs/dbraw/zinc/53/88/50/567538850.db2.gz BTXGJYFUIRYVIN-VIFPVBQESA-N -2 3 387.807 3.384 20 0 GGADHL COc1c(Br)cccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504722180 567545711 /nfs/dbraw/zinc/54/57/11/567545711.db2.gz UACXMDKKIKOXQV-SREVYHEPSA-N -2 3 379.210 3.059 20 0 GGADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000479599280 567547972 /nfs/dbraw/zinc/54/79/72/567547972.db2.gz GJXMGJMZIUQPOJ-VIFPVBQESA-N -2 3 398.706 3.128 20 0 GGADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)C(F)(F)F ZINC000551996696 567549596 /nfs/dbraw/zinc/54/95/96/567549596.db2.gz HYNSHTIEAUMKAY-VIFPVBQESA-N -2 3 395.786 3.425 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2c(Cl)cccc2Cl)c1 ZINC000552022968 567550410 /nfs/dbraw/zinc/55/04/10/567550410.db2.gz GUPLZFGAPUUVSZ-UHFFFAOYSA-N -2 3 380.274 3.274 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000571388927 567559211 /nfs/dbraw/zinc/55/92/11/567559211.db2.gz PNANIBPLIOJODN-MRXNPFEDSA-N -2 3 383.853 3.070 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)cc1Cl ZINC000644572004 567561336 /nfs/dbraw/zinc/56/13/36/567561336.db2.gz RXAGYLCSWXIRHI-SDBXPKJASA-N -2 3 384.281 3.026 20 0 GGADHL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000480218628 567590355 /nfs/dbraw/zinc/59/03/55/567590355.db2.gz ZYTZSKQIELVMPC-UHFFFAOYSA-N -3 3 392.216 3.207 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]CC[C@H](Cc2ccccc2)C(=O)[O-])sc1Cl ZINC000530382850 567598478 /nfs/dbraw/zinc/59/84/78/567598478.db2.gz IFLJKVYZAUGNFZ-CYBMUJFWSA-N -2 3 387.910 3.322 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])cc1Cl ZINC000571955342 567601321 /nfs/dbraw/zinc/60/13/21/567601321.db2.gz IYLHBOLHCMDRJA-SKDRFNHKSA-N -2 3 396.292 3.314 20 0 GGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000645075981 567603721 /nfs/dbraw/zinc/60/37/21/567603721.db2.gz XNFMBQVMWZPPMH-GXSJLCMTSA-N -2 3 385.791 3.438 20 0 GGADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000530526629 567607914 /nfs/dbraw/zinc/60/79/14/567607914.db2.gz GBVDORMBPVGAIB-NSHDSACASA-N -2 3 385.791 3.281 20 0 GGADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000572045654 567609027 /nfs/dbraw/zinc/60/90/27/567609027.db2.gz XLDZVJOFYGQSOZ-MRVPVSSYSA-N -2 3 384.679 3.024 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)c(F)cc1F ZINC000530526560 567609048 /nfs/dbraw/zinc/60/90/48/567609048.db2.gz DKJCZGVCPPZUFQ-CQSZACIVSA-N -2 3 375.780 3.031 20 0 GGADHL Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000507012692 567653905 /nfs/dbraw/zinc/65/39/05/567653905.db2.gz MIBRCPKCPAPPHZ-UHFFFAOYSA-N -2 3 398.278 3.494 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000572637090 567654471 /nfs/dbraw/zinc/65/44/71/567654471.db2.gz OHCOFRQSOJSXFJ-JTQLQIEISA-N -2 3 394.396 3.290 20 0 GGADHL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000481432834 567677424 /nfs/dbraw/zinc/67/74/24/567677424.db2.gz GNWUQIYFPIXXGA-UHFFFAOYSA-N -2 3 385.800 3.327 20 0 GGADHL CC(C)c1cc(C[N-]S(=O)(=O)c2ccc3sc(C(=O)[O-])cc3c2)on1 ZINC000645970608 567684814 /nfs/dbraw/zinc/68/48/14/567684814.db2.gz IXZVCSGKSGIITE-UHFFFAOYSA-N -2 3 380.447 3.189 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCC1 ZINC000645963963 567685644 /nfs/dbraw/zinc/68/56/44/567685644.db2.gz PVPVZHYINIARKB-OAHLLOKOSA-N -2 3 381.475 3.275 20 0 GGADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1 ZINC000442235886 567687327 /nfs/dbraw/zinc/68/73/27/567687327.db2.gz KXENUNAXPVNGHV-UHFFFAOYSA-N -2 3 375.780 3.436 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)cc1C(=O)[O-] ZINC000645995754 567687545 /nfs/dbraw/zinc/68/75/45/567687545.db2.gz RXKAYSCDONICNU-GFCCVEGCSA-N -2 3 383.388 3.039 20 0 GGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1Cl ZINC000507578254 567687888 /nfs/dbraw/zinc/68/78/88/567687888.db2.gz CZJNUOZQHWKPJZ-UHFFFAOYSA-N -2 3 383.853 3.475 20 0 GGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1Cl ZINC000507597476 567688768 /nfs/dbraw/zinc/68/87/68/567688768.db2.gz DZHMMRUMNBLJBP-UHFFFAOYSA-N -2 3 383.853 3.339 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1(c2ccccc2Cl)CC1 ZINC000646056512 567691206 /nfs/dbraw/zinc/69/12/06/567691206.db2.gz IJDWFSYMRXYMGH-UHFFFAOYSA-N -2 3 387.866 3.076 20 0 GGADHL CCc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)ccc1F ZINC000507640081 567693084 /nfs/dbraw/zinc/69/30/84/567693084.db2.gz ZXFALCMVXVTKPM-UHFFFAOYSA-N -2 3 387.816 3.306 20 0 GGADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)o1 ZINC000554031614 567705702 /nfs/dbraw/zinc/70/57/02/567705702.db2.gz JCARNRPMECLAOQ-UHFFFAOYSA-N -2 3 390.820 3.107 20 0 GGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1C(=O)[O-] ZINC000532279755 567707627 /nfs/dbraw/zinc/70/76/27/567707627.db2.gz ZHAZTWVDXVZPCZ-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000573537073 567720476 /nfs/dbraw/zinc/72/04/76/567720476.db2.gz RMFZAUWTOGZCKN-MGCOHNPYSA-N -2 3 383.363 3.014 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C(F)(F)F ZINC000532844707 567738724 /nfs/dbraw/zinc/73/87/24/567738724.db2.gz GVFUXSGCJTUBLY-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL COc1cc(Br)ccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443458759 567758639 /nfs/dbraw/zinc/75/86/39/567758639.db2.gz ZHKOAGLKFLWPRG-DAXSKMNVSA-N -2 3 393.237 3.449 20 0 GGADHL Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc([O-])c(Br)c2)cc1F ZINC000443482003 567760711 /nfs/dbraw/zinc/76/07/11/567760711.db2.gz GXJBCUXGVWHWLD-UHFFFAOYSA-N -2 3 392.221 3.220 20 0 GGADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2c(F)cc(F)cc2F)o1 ZINC000443912783 567780549 /nfs/dbraw/zinc/78/05/49/567780549.db2.gz GBMANUGPBFMWRX-UHFFFAOYSA-N -2 3 376.356 3.026 20 0 GGADHL COc1ccsc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000574619538 567787930 /nfs/dbraw/zinc/78/79/30/567787930.db2.gz BNAKULHAMAJOGJ-AWEZNQCLSA-N -2 3 383.491 3.374 20 0 GGADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000555695089 567795726 /nfs/dbraw/zinc/79/57/26/567795726.db2.gz PUXNTCGFZZEXSC-ZDUSSCGKSA-N -2 3 392.235 3.107 20 0 GGADHL CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000647924027 567806632 /nfs/dbraw/zinc/80/66/32/567806632.db2.gz WSKYXSWLBZFJKV-QWHCGFSZSA-N -2 3 381.372 3.103 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2c(O)cccc2Cl)c(C)c1CC(=O)[O-] ZINC000647919143 567806914 /nfs/dbraw/zinc/80/69/14/567806914.db2.gz ONGYBNMWBRSLQF-UHFFFAOYSA-N -2 3 383.853 3.399 20 0 GGADHL CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000647924364 567806923 /nfs/dbraw/zinc/80/69/23/567806923.db2.gz CCOUYNPSWVSQKF-GOEBONIOSA-N -2 3 387.523 3.261 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])cc1 ZINC000033007382 570618842 /nfs/dbraw/zinc/61/88/42/570618842.db2.gz URBWPTGLWZOAJF-UHFFFAOYSA-N -2 3 390.461 3.185 20 0 GGADHL COc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c(C(=O)[O-])cc1OC ZINC000012541779 570842912 /nfs/dbraw/zinc/84/29/12/570842912.db2.gz IJWOYQIIVUAMMB-UHFFFAOYSA-N -2 3 379.434 3.128 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2[O-])cc1 ZINC000032904344 570902003 /nfs/dbraw/zinc/90/20/03/570902003.db2.gz QELXEAUUABFKDQ-UHFFFAOYSA-N -2 3 398.440 3.454 20 0 GGADHL CCSCc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736666740 599098279 /nfs/dbraw/zinc/09/82/79/599098279.db2.gz NOBIKPYWFVDMSQ-UHFFFAOYSA-N -2 3 393.469 3.060 20 0 GGADHL CCSCc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736666740 599098282 /nfs/dbraw/zinc/09/82/82/599098282.db2.gz NOBIKPYWFVDMSQ-UHFFFAOYSA-N -2 3 393.469 3.060 20 0 GGADHL O=C([O-])Cc1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000819572285 597236472 /nfs/dbraw/zinc/23/64/72/597236472.db2.gz HACIZRGACRMFKR-UHFFFAOYSA-N -2 3 379.210 3.104 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3F)cc2)co1 ZINC000484530855 597514017 /nfs/dbraw/zinc/51/40/17/597514017.db2.gz FVACUXUHTPHSFJ-UHFFFAOYSA-N -2 3 376.365 3.288 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2)cc(=O)[n-]1 ZINC000580418791 598097514 /nfs/dbraw/zinc/09/75/14/598097514.db2.gz QGFTUMLFOKTZPQ-SFHVURJKSA-N -2 3 378.388 3.105 20 0 GGADHL CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735665146 598284165 /nfs/dbraw/zinc/28/41/65/598284165.db2.gz SRAFWPDCNPHCDF-UHFFFAOYSA-N -2 3 395.419 3.489 20 0 GGADHL CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735665146 598284166 /nfs/dbraw/zinc/28/41/66/598284166.db2.gz SRAFWPDCNPHCDF-UHFFFAOYSA-N -2 3 395.419 3.489 20 0 GGADHL CSCCc1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000738194932 599740323 /nfs/dbraw/zinc/74/03/23/599740323.db2.gz MGDCWKRTMXHJFC-UHFFFAOYSA-N -2 3 395.502 3.246 20 0 GGADHL CCC[C@@](C)([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000736958382 599743288 /nfs/dbraw/zinc/74/32/88/599743288.db2.gz AEADDCOGSZZNFZ-GFCCVEGCSA-N -2 3 384.679 3.024 20 0 GGADHL Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000522397862 599768129 /nfs/dbraw/zinc/76/81/29/599768129.db2.gz WLVSIEUMNZCFPK-UHFFFAOYSA-N -2 3 398.440 3.321 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OCc2ccccc2)o1 ZINC000313629677 599771457 /nfs/dbraw/zinc/77/14/57/599771457.db2.gz GVPZGTFPUJSLDE-UHFFFAOYSA-N -2 3 387.413 3.035 20 0 GGADHL C[C@H](COc1ccc(C(C)(C)C)cc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736612837 599773391 /nfs/dbraw/zinc/77/33/91/599773391.db2.gz CPAUKGMPOMCDGU-GFCCVEGCSA-N -2 3 381.450 3.021 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CCCC2)o1 ZINC000740175109 599773863 /nfs/dbraw/zinc/77/38/63/599773863.db2.gz FWQONXFCWDGIGV-UHFFFAOYSA-N -2 3 383.853 3.422 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CCCC2)o1 ZINC000740175277 599774765 /nfs/dbraw/zinc/77/47/65/599774765.db2.gz KSJJGOXHUVYORB-UHFFFAOYSA-N -2 3 383.853 3.422 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)c(Cl)c3)CC2)o1 ZINC000740174031 599775130 /nfs/dbraw/zinc/77/51/30/599775130.db2.gz PQLFYGXWNKPKCE-UHFFFAOYSA-N -2 3 376.217 3.252 20 0 GGADHL Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)c([O-])c1 ZINC000738514447 599837954 /nfs/dbraw/zinc/83/79/54/599837954.db2.gz DARIYAKWSPRHCW-KRWDZBQOSA-N -2 3 378.222 3.193 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(Cl)c1 ZINC000738546323 599885974 /nfs/dbraw/zinc/88/59/74/599885974.db2.gz SZVPKJDUNUQUPF-UHFFFAOYSA-N -2 3 391.836 3.333 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1 ZINC000477403353 599905650 /nfs/dbraw/zinc/90/56/50/599905650.db2.gz JSUHOBGAXWDLJK-UHFFFAOYSA-N -2 3 390.461 3.479 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCc2cccnc2)cc1 ZINC000738347399 599926379 /nfs/dbraw/zinc/92/63/79/599926379.db2.gz KEARPNPNSDKDFO-UHFFFAOYSA-N -2 3 398.440 3.468 20 0 GGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)c1 ZINC000728514728 599926504 /nfs/dbraw/zinc/92/65/04/599926504.db2.gz TYRGCPLQHAEVGW-UHFFFAOYSA-N -2 3 384.413 3.160 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)c1C(=O)[O-] ZINC000738745539 599927036 /nfs/dbraw/zinc/92/70/36/599927036.db2.gz RAZTVDPYOLVBRQ-UHFFFAOYSA-N -2 3 398.440 3.468 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)c(C)c1 ZINC000737868843 599927348 /nfs/dbraw/zinc/92/73/48/599927348.db2.gz SXJAPBSDVWMARV-UHFFFAOYSA-N -2 3 395.502 3.431 20 0 GGADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(CSCC(=O)[O-])c3)ccc2O1 ZINC000736826911 599938776 /nfs/dbraw/zinc/93/87/76/599938776.db2.gz ZKFFZOWHXWMFJO-LBPRGKRZSA-N -2 3 393.486 3.129 20 0 GGADHL O=C([O-])c1ccc(OCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000740167341 599940164 /nfs/dbraw/zinc/94/01/64/599940164.db2.gz DTJFWTCJWZIARR-UHFFFAOYSA-N -2 3 390.244 3.049 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCCCC1 ZINC000739519773 599981602 /nfs/dbraw/zinc/98/16/02/599981602.db2.gz OGSHBWGZQJDTAH-UHFFFAOYSA-N -2 3 383.363 3.300 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)cc2)cc(=O)[n-]1 ZINC000738830025 600010723 /nfs/dbraw/zinc/01/07/23/600010723.db2.gz RWRZRSFJFWRSSQ-UHFFFAOYSA-N -2 3 390.399 3.404 20 0 GGADHL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000740123817 600058274 /nfs/dbraw/zinc/05/82/74/600058274.db2.gz OMQDZJDOPFVLBG-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(Cl)c1 ZINC000589437072 600099061 /nfs/dbraw/zinc/09/90/61/600099061.db2.gz UACWVLTVUXSXKG-UHFFFAOYSA-N -2 3 391.836 3.333 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c1C(=O)[O-] ZINC000738744815 600099375 /nfs/dbraw/zinc/09/93/75/600099375.db2.gz ORGMFZASTAWYHN-UHFFFAOYSA-N -2 3 391.836 3.333 20 0 GGADHL CCOc1cc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)ccc1C ZINC000737191394 600100030 /nfs/dbraw/zinc/10/00/30/600100030.db2.gz KROZBVYLSDKKTP-UHFFFAOYSA-N -2 3 379.434 3.048 20 0 GGADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)cc1Cl ZINC000737374880 600104804 /nfs/dbraw/zinc/10/48/04/600104804.db2.gz ANVUQPYZIZYYLI-UHFFFAOYSA-N -2 3 398.868 3.060 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N(C)C(C)C)c(F)c1 ZINC000738276834 600105382 /nfs/dbraw/zinc/10/53/82/600105382.db2.gz AXTVBXWGENPOCI-UHFFFAOYSA-N -2 3 380.441 3.478 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)c(N2CCCC2)c(F)c1 ZINC000738347777 600105664 /nfs/dbraw/zinc/10/56/64/600105664.db2.gz UDOUINBCUYYHDW-UHFFFAOYSA-N -2 3 396.415 3.372 20 0 GGADHL O=C([O-])CCSCc1cccc(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000739753893 600110234 /nfs/dbraw/zinc/11/02/34/600110234.db2.gz SLUOGXZQJGQWPX-UHFFFAOYSA-N -2 3 375.402 3.081 20 0 GGADHL COc1ccc(C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])c([O-])c1 ZINC000737926194 600180881 /nfs/dbraw/zinc/18/08/81/600180881.db2.gz NZWQOFSGDQSVTJ-MRXNPFEDSA-N -2 3 379.412 3.227 20 0 GGADHL CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000265313493 600210964 /nfs/dbraw/zinc/21/09/64/600210964.db2.gz YIAGDOHDOKKAPT-RUZDIDTESA-N -2 3 395.502 3.233 20 0 GGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)cc1 ZINC000739886341 600244572 /nfs/dbraw/zinc/24/45/72/600244572.db2.gz BFNLRZMAUAPYJY-UHFFFAOYSA-N -2 3 388.489 3.495 20 0 GGADHL CCSc1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000737229879 600258609 /nfs/dbraw/zinc/25/86/09/600258609.db2.gz RSZBOSUKZHUEBY-UHFFFAOYSA-N -2 3 381.475 3.453 20 0 GGADHL O=C([O-])[C@@H]1CC12CCN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)CC2 ZINC000739537017 600296269 /nfs/dbraw/zinc/29/62/69/600296269.db2.gz RRYAIUPCBBOYGA-LBPRGKRZSA-N -2 3 385.445 3.344 20 0 GGADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000737034413 600299785 /nfs/dbraw/zinc/29/97/85/600299785.db2.gz JTXDLBCUSPHOKJ-UHFFFAOYSA-N -2 3 378.450 3.386 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)/C=C\c2ccccc2Br)c1O ZINC000740227777 600392578 /nfs/dbraw/zinc/39/25/78/600392578.db2.gz YRBBMSQRDYUWCN-HJWRWDBZSA-N -2 3 398.234 3.266 20 0 GGADHL Cc1nc(C)c(CCC(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000738847952 600392915 /nfs/dbraw/zinc/39/29/15/600392915.db2.gz REFTXKLJBGDEDK-GOSISDBHSA-N -2 3 399.491 3.361 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1OCC(F)(F)F ZINC000606343147 600394689 /nfs/dbraw/zinc/39/46/89/600394689.db2.gz FHQMZAPSARSADS-UHFFFAOYSA-N -2 3 389.351 3.435 20 0 GGADHL CC(C)(C)c1ccc([C@@H](CC(=O)[O-])N/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000736296972 600394990 /nfs/dbraw/zinc/39/49/90/600394990.db2.gz AZAOJVPPVYGLAR-CWDSQJGSSA-N -2 3 392.455 3.401 20 0 GGADHL CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000063443258 600482873 /nfs/dbraw/zinc/48/28/73/600482873.db2.gz UNSNFEAGAIOMMB-UHFFFAOYSA-N -2 3 399.852 3.254 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c(C)c1 ZINC000737211295 600488490 /nfs/dbraw/zinc/48/84/90/600488490.db2.gz ZTGNJEBVYVVSMK-UHFFFAOYSA-N -2 3 393.461 3.438 20 0 GGADHL Cc1c(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)sc2nccc(C)c12 ZINC000738797559 600536035 /nfs/dbraw/zinc/53/60/35/600536035.db2.gz CUBKZNVZSUHZIH-UHFFFAOYSA-N -2 3 376.463 3.424 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000047949104 600541215 /nfs/dbraw/zinc/54/12/15/600541215.db2.gz VZCUVQLDKAPMCZ-UHFFFAOYSA-N -2 3 391.323 3.093 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1C(=O)[O-] ZINC000064938227 600543835 /nfs/dbraw/zinc/54/38/35/600543835.db2.gz AWGQCFIWQALIHD-UHFFFAOYSA-N -2 3 391.445 3.121 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ncc(-c2ccccc2)o1 ZINC000736663947 600588537 /nfs/dbraw/zinc/58/85/37/600588537.db2.gz JLGNOBXHYXLGTN-JTQLQIEISA-N -2 3 378.431 3.141 20 0 GGADHL Cc1nc(-c2ccc(F)cc2)sc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738829606 600628412 /nfs/dbraw/zinc/62/84/12/600628412.db2.gz OHZKOFVUXHWBEQ-UHFFFAOYSA-N -2 3 392.437 3.379 20 0 GGADHL CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736429178 600630994 /nfs/dbraw/zinc/63/09/94/600630994.db2.gz SNSYHNNHBBKJTJ-SECBINFHSA-N -2 3 396.278 3.389 20 0 GGADHL CC(C)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736426953 600632317 /nfs/dbraw/zinc/63/23/17/600632317.db2.gz OUHPGZRFBMWIAQ-UHFFFAOYSA-N -2 3 382.251 3.001 20 0 GGADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)C1 ZINC000736777591 600632802 /nfs/dbraw/zinc/63/28/02/600632802.db2.gz XTIDSUHQIKMLML-RKDXNWHRSA-N -2 3 394.262 3.143 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(Cl)c1 ZINC000740155838 600679068 /nfs/dbraw/zinc/67/90/68/600679068.db2.gz WNXPMISFVJBPPF-UHFFFAOYSA-N -3 3 390.200 3.191 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc1C(=O)[O-] ZINC000438755625 600681813 /nfs/dbraw/zinc/68/18/13/600681813.db2.gz GNRUVWNSKPDUIB-UHFFFAOYSA-N -2 3 389.433 3.125 20 0 GGADHL COC(=O)Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1[O-] ZINC000831209650 600730224 /nfs/dbraw/zinc/73/02/24/600730224.db2.gz FGOYDRMZLPLVHI-AWEZNQCLSA-N -2 3 379.752 3.207 20 0 GGADHL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1C ZINC000055674371 600811536 /nfs/dbraw/zinc/81/15/36/600811536.db2.gz JGQMCUFGUVPFBO-UHFFFAOYSA-N -2 3 376.434 3.069 20 0 GGADHL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1C ZINC000671658468 600890721 /nfs/dbraw/zinc/89/07/21/600890721.db2.gz UCPTXUGZMRZEPB-UHFFFAOYSA-N -2 3 376.434 3.069 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)c1C(=O)[O-] ZINC000738743347 600896855 /nfs/dbraw/zinc/89/68/55/600896855.db2.gz DCHKSLKXSNPBIT-UHFFFAOYSA-N -2 3 392.502 3.047 20 0 GGADHL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)cc2)nn1 ZINC000675628772 600897382 /nfs/dbraw/zinc/89/73/82/600897382.db2.gz OMQOCABWOKJYGT-UHFFFAOYSA-N -2 3 399.428 3.385 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)cc1C(=O)[O-] ZINC000607616617 600897764 /nfs/dbraw/zinc/89/77/64/600897764.db2.gz AMGZSXVIPWTYEY-UHFFFAOYSA-N -2 3 379.434 3.290 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1OC ZINC000525330124 600899500 /nfs/dbraw/zinc/89/95/00/600899500.db2.gz YNUCPWCINWUTGV-UHFFFAOYSA-N -2 3 393.461 3.175 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(Cl)ccc32)c1F ZINC000833294748 600995033 /nfs/dbraw/zinc/99/50/33/600995033.db2.gz HCBGLGOXDLKWFQ-GFCCVEGCSA-N -2 3 387.791 3.282 20 0 GGADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc(Oc3ccccc3)ccn2)s1 ZINC000833232040 601076255 /nfs/dbraw/zinc/07/62/55/601076255.db2.gz JFMBSWVRNIILBW-UHFFFAOYSA-N -2 3 384.417 3.385 20 0 GGADHL O=C([O-])c1sc2ccccc2c1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000833347760 601170455 /nfs/dbraw/zinc/17/04/55/601170455.db2.gz RSDCUFJMRHSZBO-UHFFFAOYSA-N -2 3 396.468 3.263 20 0 GGADHL O=C([O-])CCc1nnc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])s1 ZINC000833241730 601188586 /nfs/dbraw/zinc/18/85/86/601188586.db2.gz LXYGSMZPSYSYCH-UHFFFAOYSA-N -2 3 385.401 3.306 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)c(Cl)cc1Cl ZINC000833303330 601214997 /nfs/dbraw/zinc/21/49/97/601214997.db2.gz HBOMJSKYKNQIKT-RXMQYKEDSA-N -2 3 393.075 3.164 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2cccc(Br)c2)cc1C(=O)[O-] ZINC000833027107 601216494 /nfs/dbraw/zinc/21/64/94/601216494.db2.gz BUZFLQOXQSHFCR-MRVPVSSYSA-N -2 3 388.239 3.088 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cc1C(=O)[O-] ZINC000833028194 601220137 /nfs/dbraw/zinc/22/01/37/601220137.db2.gz LIQSLZMHRJPOJG-YPMHNXCESA-N -2 3 389.351 3.139 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)c1F ZINC000833294810 601229383 /nfs/dbraw/zinc/22/93/83/601229383.db2.gz XFYZXHDRWZISLH-UHFFFAOYSA-N -2 3 395.305 3.160 20 0 GGADHL Cc1ccc(CCC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c(C)c1 ZINC000832931331 601229466 /nfs/dbraw/zinc/22/94/66/601229466.db2.gz WRJNYGUJGPKROK-UHFFFAOYSA-N -2 3 383.416 3.191 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H](c2ccco2)c2ccccc2)c1F ZINC000833295198 601229856 /nfs/dbraw/zinc/22/98/56/601229856.db2.gz OMXKZLHYUPKGCU-QGZVFWFLSA-N -2 3 393.367 3.324 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2CCC(C(F)(F)F)CC2)c1F ZINC000326989109 601230098 /nfs/dbraw/zinc/23/00/98/601230098.db2.gz MKVGVCQQWXRMQV-UHFFFAOYSA-N -2 3 387.326 3.062 20 0 GGADHL CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1ccco1 ZINC000826900860 601232411 /nfs/dbraw/zinc/23/24/11/601232411.db2.gz WPWFDLJYIYYLIZ-JEZWAEDTSA-N -2 3 393.461 3.070 20 0 GGADHL CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1ccco1 ZINC000826900859 601232447 /nfs/dbraw/zinc/23/24/47/601232447.db2.gz WPWFDLJYIYYLIZ-JEJOPICUSA-N -2 3 393.461 3.070 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)c1F ZINC000833294015 601233089 /nfs/dbraw/zinc/23/30/89/601233089.db2.gz LGABVLSACORJJJ-UHFFFAOYSA-N -2 3 383.397 3.356 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)c1F ZINC000833295356 601233143 /nfs/dbraw/zinc/23/31/43/601233143.db2.gz RVANFYVXWPSHIA-LBPRGKRZSA-N -2 3 387.791 3.282 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCC2)c1F ZINC000833294788 601234172 /nfs/dbraw/zinc/23/41/72/601234172.db2.gz WXRGXQYHNVQVIN-UHFFFAOYSA-N -2 3 399.390 3.202 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)c1F ZINC000833294685 601235088 /nfs/dbraw/zinc/23/50/88/601235088.db2.gz FROKOOQHDBYYOE-KRWDZBQOSA-N -2 3 381.400 3.483 20 0 GGADHL Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c(C)c1 ZINC000832929109 601236465 /nfs/dbraw/zinc/23/64/65/601236465.db2.gz MTISUCSWPUZJBH-GFCCVEGCSA-N -2 3 383.416 3.189 20 0 GGADHL Cc1c(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)oc2ccccc12 ZINC000832853633 601237328 /nfs/dbraw/zinc/23/73/28/601237328.db2.gz PLEPMLHTDWDNPH-UHFFFAOYSA-N -2 3 381.356 3.196 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2Cc2ccccc2)c1F ZINC000833295334 601237789 /nfs/dbraw/zinc/23/77/89/601237789.db2.gz QRYIGEVODMVQLT-HIFRSBDPSA-N -2 3 395.427 3.353 20 0 GGADHL COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832220756 601238495 /nfs/dbraw/zinc/23/84/95/601238495.db2.gz FLIWGCGGUATLRY-LLVKDONJSA-N -2 3 399.415 3.144 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H](CC2CC2)c2ccccc2)c1F ZINC000833295308 601240022 /nfs/dbraw/zinc/24/00/22/601240022.db2.gz OZDAJXQHHKGVFL-CQSZACIVSA-N -2 3 381.400 3.483 20 0 GGADHL CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)s1 ZINC000323278096 601254623 /nfs/dbraw/zinc/25/46/23/601254623.db2.gz MSMCTQFGZIBPQI-UHFFFAOYSA-N -2 3 395.289 3.189 20 0 GGADHL Cc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)sc1C ZINC000832999972 601256740 /nfs/dbraw/zinc/25/67/40/601256740.db2.gz SWPWOEXEWOYDKJ-UHFFFAOYSA-N -2 3 395.289 3.243 20 0 GGADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCCC1 ZINC000833206685 601265511 /nfs/dbraw/zinc/26/55/11/601265511.db2.gz YLZITTZPDYRSDN-UHFFFAOYSA-N -2 3 383.363 3.300 20 0 GGADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000828810467 601268099 /nfs/dbraw/zinc/26/80/99/601268099.db2.gz KZBURJLPTNGDAM-UHFFFAOYSA-N -2 3 384.317 3.131 20 0 GGADHL Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1Cl ZINC000833091090 601319464 /nfs/dbraw/zinc/31/94/64/601319464.db2.gz ZJBUFZKKPWBVEJ-UTCJRWHESA-N -2 3 387.244 3.474 20 0 GGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)c1C ZINC000614357632 601324490 /nfs/dbraw/zinc/32/44/90/601324490.db2.gz JTUIQKUIZQPPBZ-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)ccc1F ZINC000066585703 601328377 /nfs/dbraw/zinc/32/83/77/601328377.db2.gz QDENKYUTJICHJB-UHFFFAOYSA-N -2 3 395.799 3.164 20 0 GGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)c1C ZINC000730205094 601330779 /nfs/dbraw/zinc/33/07/79/601330779.db2.gz CRADUHLOEAUBGW-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1Cl ZINC000326954115 601359952 /nfs/dbraw/zinc/35/99/52/601359952.db2.gz IFFFCJKMVMVLOO-YHYXMXQVSA-N -2 3 380.853 3.305 20 0 GGADHL CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000830158642 601443755 /nfs/dbraw/zinc/44/37/55/601443755.db2.gz YRGXAMXDHLALAO-QWRGUYRKSA-N -2 3 379.450 3.006 20 0 GGADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000828671164 601479945 /nfs/dbraw/zinc/47/99/45/601479945.db2.gz AVHAAQCJLHLYME-LBPRGKRZSA-N -2 3 384.679 3.024 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2noc(C3CC3)n2)c1 ZINC000466290811 601491879 /nfs/dbraw/zinc/49/18/79/601491879.db2.gz RRCPMDSTZFRUHG-UHFFFAOYSA-N -2 3 399.428 3.421 20 0 GGADHL O=C([O-])[C@@H]1c2ccccc2CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000833196109 601544937 /nfs/dbraw/zinc/54/49/37/601544937.db2.gz YZENTHBUNKJKPF-SFHVURJKSA-N -2 3 375.384 3.266 20 0 GGADHL Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)cc2)n1 ZINC000466290879 601558466 /nfs/dbraw/zinc/55/84/66/601558466.db2.gz UCYKLVSPWCKITF-UHFFFAOYSA-N -2 3 399.428 3.385 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)cc(F)c1F ZINC000184897775 601568517 /nfs/dbraw/zinc/56/85/17/601568517.db2.gz MBZOJQQVTGKBRL-YUMQZZPRSA-N -2 3 387.326 3.062 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)cc(F)c1F ZINC000833303893 601574256 /nfs/dbraw/zinc/57/42/56/601574256.db2.gz IOLSUQQSIHGZDE-UHFFFAOYSA-N -2 3 395.305 3.160 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccc(F)c2)o1 ZINC000833324294 601596911 /nfs/dbraw/zinc/59/69/11/601596911.db2.gz BNDGUHGJCYOFNT-KRWDZBQOSA-N -2 3 375.377 3.185 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CCCCC1 ZINC000833169532 601597058 /nfs/dbraw/zinc/59/70/58/601597058.db2.gz RZXKHCDWGVBLJB-CYBMUJFWSA-N -2 3 383.363 3.156 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)ccc1Cl ZINC000739673470 601830253 /nfs/dbraw/zinc/83/02/53/601830253.db2.gz CJTRQTHMKKSXCN-ZDUSSCGKSA-N -2 3 397.836 3.007 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)N3CCC(CCC(=O)[O-])CC3)cc2)cc(=O)[n-]1 ZINC000832991025 601838886 /nfs/dbraw/zinc/83/88/86/601838886.db2.gz IGTFNYPQSFRAGI-UHFFFAOYSA-N -2 3 384.436 3.266 20 0 GGADHL CN1CCCc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)ccc21 ZINC000830946579 601843901 /nfs/dbraw/zinc/84/39/01/601843901.db2.gz QSIOFWQNURBJRL-UHFFFAOYSA-N -2 3 380.853 3.221 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])ccc1N1CCCC1 ZINC000832899480 601848025 /nfs/dbraw/zinc/84/80/25/601848025.db2.gz MBMDHKYABLGGKW-UHFFFAOYSA-N -2 3 378.425 3.233 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC2(Cc3ccccc3)CCC2)c1F ZINC000833294289 601987957 /nfs/dbraw/zinc/98/79/57/601987957.db2.gz AIJRBILIMXAOBV-UHFFFAOYSA-N -2 3 395.427 3.354 20 0 GGADHL O=C([O-])COc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c2ccccc12 ZINC000833258314 602095335 /nfs/dbraw/zinc/09/53/35/602095335.db2.gz IAZRFEKNVFCZCN-GZTJUZNOSA-N -2 3 388.379 3.026 20 0 GGADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1F ZINC000758452921 602121196 /nfs/dbraw/zinc/12/11/96/602121196.db2.gz OQFDBAHXKBFKQO-UHFFFAOYSA-N -2 3 395.742 3.265 20 0 GGADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1F ZINC000758453834 602121416 /nfs/dbraw/zinc/12/14/16/602121416.db2.gz ZDQVMAYYYCTWCE-UHFFFAOYSA-N -2 3 377.752 3.126 20 0 GGADHL C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000386103900 602156251 /nfs/dbraw/zinc/15/62/51/602156251.db2.gz ISMKHHCGUQGFFT-MRVPVSSYSA-N -2 3 382.276 3.233 20 0 GGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1ccc(NC(=O)[O-])cc1 ZINC000832855918 602158430 /nfs/dbraw/zinc/15/84/30/602158430.db2.gz HMMULFPUMVAPAS-UHFFFAOYSA-N -2 3 392.408 3.491 20 0 GGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])c1ccccc1 ZINC000573781830 602158985 /nfs/dbraw/zinc/15/89/85/602158985.db2.gz ICXXHUOFDGPBKE-HNNXBMFYSA-N -2 3 377.393 3.027 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCC2)c1F ZINC000833294459 602178055 /nfs/dbraw/zinc/17/80/55/602178055.db2.gz CUYDQXWXFILXGE-UHFFFAOYSA-N -2 3 381.400 3.107 20 0 GGADHL O=C([O-])COc1ccc(NC(=O)c2nnc3ccccc3c2[O-])c2ccccc12 ZINC000767069362 602259937 /nfs/dbraw/zinc/25/99/37/602259937.db2.gz MOFWRQAVVTWMNW-UHFFFAOYSA-N -2 3 389.367 3.204 20 0 GGADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)cc2)n[nH]1 ZINC000469312919 602300932 /nfs/dbraw/zinc/30/09/32/602300932.db2.gz BJWONUKURIQAGF-UHFFFAOYSA-N -2 3 387.417 3.318 20 0 GGADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)cc2)n[nH]1 ZINC000477429781 602301060 /nfs/dbraw/zinc/30/10/60/602301060.db2.gz DHIHXKDKBUDDPK-UHFFFAOYSA-N -2 3 387.417 3.318 20 0 GGADHL O=C([O-])c1ccc(F)c(NC(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000833145617 604321421 /nfs/dbraw/zinc/32/14/21/604321421.db2.gz RTKDLZISEGFZRJ-UHFFFAOYSA-N -2 3 383.173 3.314 20 0 GGADHL Cc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1C(=O)[O-] ZINC000832947192 604352163 /nfs/dbraw/zinc/35/21/63/604352163.db2.gz SCDSUCZKKGBBFG-UHFFFAOYSA-N -2 3 379.210 3.483 20 0 GGADHL COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccco1 ZINC000832594051 604364265 /nfs/dbraw/zinc/36/42/65/604364265.db2.gz CARLQLWXVAKNTM-INIZCTEOSA-N -2 3 393.442 3.116 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(F)ccc2Br)CCCCCC1 ZINC000833175515 604474894 /nfs/dbraw/zinc/47/48/94/604474894.db2.gz DNJWFTPYNPQSTH-UHFFFAOYSA-N -2 3 394.262 3.044 20 0 GGADHL CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1 ZINC000833473903 604744741 /nfs/dbraw/zinc/74/47/41/604744741.db2.gz INCNGPGLVSAZBL-UHFFFAOYSA-N -2 3 394.424 3.309 20 0 GGADHL O=C([O-])COc1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1Cl ZINC000833259483 604807114 /nfs/dbraw/zinc/80/71/14/604807114.db2.gz RBSIOTUPNLYDAJ-UHFFFAOYSA-N -2 3 395.864 3.483 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)cc(C)c1F ZINC000832904435 604809055 /nfs/dbraw/zinc/80/90/55/604809055.db2.gz NKHJTMUDCBEHDI-UHFFFAOYSA-N -2 3 387.816 3.360 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1C(=O)[O-] ZINC000833734404 605008771 /nfs/dbraw/zinc/00/87/71/605008771.db2.gz BXNQFWGZWIKBRN-UHFFFAOYSA-N -2 3 398.440 3.180 20 0 GGADHL CC(C)Cc1ccc([C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C2CC2)cc1 ZINC000833495344 605023837 /nfs/dbraw/zinc/02/38/37/605023837.db2.gz ZVNMWVTXUTUUIO-MRXNPFEDSA-N -2 3 394.518 3.469 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000833523368 605037147 /nfs/dbraw/zinc/03/71/47/605037147.db2.gz NJUUKRHTYYYQLZ-LLVKDONJSA-N -2 3 390.392 3.218 20 0 GGADHL CC1(C)CC[C@@H]2C[C@@H]([N-]S(=O)(=O)c3csnc3C(=O)[O-])c3cccc1c32 ZINC000833559097 605145339 /nfs/dbraw/zinc/14/53/39/605145339.db2.gz UQHKGSVZZRXAIT-ZWNOBZJWSA-N -2 3 392.502 3.420 20 0 GGADHL CC1(C)CC[C@@H]2C[C@H]([N-]S(=O)(=O)c3csnc3C(=O)[O-])c3cccc1c32 ZINC000833559096 605145346 /nfs/dbraw/zinc/14/53/46/605145346.db2.gz UQHKGSVZZRXAIT-MFKMUULPSA-N -2 3 392.502 3.420 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])ccc1N(C)C ZINC000833746585 605183501 /nfs/dbraw/zinc/18/35/01/605183501.db2.gz CWGUEOGHUKZDLV-UHFFFAOYSA-N -2 3 385.445 3.108 20 0 GGADHL CN(Cc1cc(=O)oc2cc([O-])ccc12)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694176 605242390 /nfs/dbraw/zinc/24/23/90/605242390.db2.gz CKMHQOZADFLQMU-SFHVURJKSA-N -2 3 393.317 3.174 20 0 GGADHL C[C@]1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000833573011 605246818 /nfs/dbraw/zinc/24/68/18/605246818.db2.gz WVHPZBVADVMJRB-YGRLFVJLSA-N -2 3 383.363 3.156 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c(C)c1F ZINC000833734441 605263565 /nfs/dbraw/zinc/26/35/65/605263565.db2.gz FBBPQEAGUYMZKZ-UHFFFAOYSA-N -2 3 397.424 3.187 20 0 GGADHL O=C([O-])C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(C(F)(F)F)cc1 ZINC000833773366 605413089 /nfs/dbraw/zinc/41/30/89/605413089.db2.gz UZEGGZQUGBUMKB-LBPRGKRZSA-N -2 3 397.305 3.086 20 0 GGADHL CC(C)(CCC(=O)[O-])NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000833456969 605755556 /nfs/dbraw/zinc/75/55/56/605755556.db2.gz FMTLXBKSFPOYQP-SFHVURJKSA-N -2 3 398.459 3.013 20 0 GGADHL O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823583155 606871152 /nfs/dbraw/zinc/87/11/52/606871152.db2.gz JDKXJGOXEJNWSI-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821394568 607034645 /nfs/dbraw/zinc/03/46/45/607034645.db2.gz LUXNLEQKUQUICJ-UHFFFAOYSA-N -2 3 393.856 3.028 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)o1 ZINC000826292685 608293194 /nfs/dbraw/zinc/29/31/94/608293194.db2.gz HLKGILJBOAYLIU-UHFFFAOYSA-N -2 3 397.416 3.361 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)o1 ZINC000826292685 608293195 /nfs/dbraw/zinc/29/31/95/608293195.db2.gz HLKGILJBOAYLIU-UHFFFAOYSA-N -2 3 397.416 3.361 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)c1Cl ZINC000826303792 608582966 /nfs/dbraw/zinc/58/29/66/608582966.db2.gz FPYTZNSOIXGXPI-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)c1Cl ZINC000826303792 608582968 /nfs/dbraw/zinc/58/29/68/608582968.db2.gz FPYTZNSOIXGXPI-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000826186501 608762390 /nfs/dbraw/zinc/76/23/90/608762390.db2.gz VZVYCWDFWBAVBK-UHFFFAOYSA-N -2 3 380.191 3.140 20 0 GGADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000826186501 608762395 /nfs/dbraw/zinc/76/23/95/608762395.db2.gz VZVYCWDFWBAVBK-UHFFFAOYSA-N -2 3 380.191 3.140 20 0 GGADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000824756862 608862368 /nfs/dbraw/zinc/86/23/68/608862368.db2.gz QXPCYRXYTDDHCG-QMMMGPOBSA-N -2 3 394.218 3.285 20 0 GGADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000824756862 608862371 /nfs/dbraw/zinc/86/23/71/608862371.db2.gz QXPCYRXYTDDHCG-QMMMGPOBSA-N -2 3 394.218 3.285 20 0 GGADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)cc(Cl)c1 ZINC000826492519 609339102 /nfs/dbraw/zinc/33/91/02/609339102.db2.gz PBAKEJQGWRWCBJ-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000825341361 609529711 /nfs/dbraw/zinc/52/97/11/609529711.db2.gz ARMWIUZWIHPCEL-UHFFFAOYSA-N -2 3 393.856 3.110 20 0 GGADHL CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826230458 609530731 /nfs/dbraw/zinc/53/07/31/609530731.db2.gz VELGOQYYUMHLTQ-UHFFFAOYSA-N -2 3 395.897 3.351 20 0 GGADHL CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826230458 609530732 /nfs/dbraw/zinc/53/07/32/609530732.db2.gz VELGOQYYUMHLTQ-UHFFFAOYSA-N -2 3 395.897 3.351 20 0 GGADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][N-]C(=O)c2ccccc2F)c1Cl ZINC000007428905 1398673702 /nfs/dbraw/zinc/67/37/02/1398673702.db2.gz URULOMDYKJVKNS-UHFFFAOYSA-N -2 3 391.251 3.373 20 0 GGADHL CC(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000011407701 1398977571 /nfs/dbraw/zinc/97/75/71/1398977571.db2.gz AGTDVUVZXQJDRR-UHFFFAOYSA-N -2 3 382.869 3.232 20 0 GGADHL O=C([N-][N-]S(=O)(=O)c1ccc(Cl)cc1F)C12CC3CC(CC(C3)C1)C2 ZINC000016154337 1399216466 /nfs/dbraw/zinc/21/64/66/1399216466.db2.gz RJMKTSPVVQSSFU-UHFFFAOYSA-N -2 3 386.876 3.005 20 0 GGADHL CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1 ZINC000055582949 1407011912 /nfs/dbraw/zinc/01/19/12/1407011912.db2.gz JYFZQYGTTDFINK-UHFFFAOYSA-N -2 3 394.424 3.407 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(F)cc3F)c2)n1 ZINC000055621148 1407028189 /nfs/dbraw/zinc/02/81/89/1407028189.db2.gz KCMGJZCWSPOXRD-UHFFFAOYSA-N -2 3 391.399 3.078 20 0 GGADHL O=C([N-][N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc2ccccc2n1 ZINC000028913609 1400210704 /nfs/dbraw/zinc/21/07/04/1400210704.db2.gz FUIQTVRBPSELBZ-UHFFFAOYSA-N -2 3 396.255 3.165 20 0 GGADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000042793653 1400416195 /nfs/dbraw/zinc/41/61/95/1400416195.db2.gz NJHUIPUVMVFZAE-UHFFFAOYSA-N -2 3 392.433 3.371 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)cc1C(=O)[O-] ZINC000042794652 1400417088 /nfs/dbraw/zinc/41/70/88/1400417088.db2.gz UUKORIKCNPRTNM-UHFFFAOYSA-N -2 3 390.461 3.397 20 0 GGADHL O=C([N-][N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccccc1F ZINC000045774445 1404200576 /nfs/dbraw/zinc/20/05/76/1404200576.db2.gz GTKJEBVSLUIZTI-UHFFFAOYSA-N -2 3 397.642 3.409 20 0 GGADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(OC)c(OC)c(C(=O)[O-])c1 ZINC000045946612 1404249651 /nfs/dbraw/zinc/24/96/51/1404249651.db2.gz UKQFRDJWHXTZIJ-UHFFFAOYSA-N -2 3 379.434 3.074 20 0 GGADHL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(O)cc3C)cc2)o1 ZINC000046071100 1404289443 /nfs/dbraw/zinc/28/94/43/1404289443.db2.gz WNNWBLFQYYDGIA-UHFFFAOYSA-N -2 3 388.401 3.163 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1 ZINC000048382714 1405173357 /nfs/dbraw/zinc/17/33/57/1405173357.db2.gz WTQKXSVVSJLWNY-UHFFFAOYSA-N -2 3 390.442 3.074 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)cc1C(=O)[O-] ZINC000058519005 1407840358 /nfs/dbraw/zinc/84/03/58/1407840358.db2.gz ZEHPVMKONDVYPW-UHFFFAOYSA-N -2 3 385.344 3.124 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(F)c2)c(C)c1 ZINC000060353702 1407958250 /nfs/dbraw/zinc/95/82/50/1407958250.db2.gz LYAXDMUVTBLJHL-UHFFFAOYSA-N -2 3 381.425 3.487 20 0 GGADHL O=C([N-]NC(=O)c1ccc(Cl)cc1[O-])c1cnc(-c2ccccc2F)s1 ZINC000063096707 1408303509 /nfs/dbraw/zinc/30/35/09/1408303509.db2.gz ICCJZODNANBLPM-UHFFFAOYSA-N -2 3 391.811 3.383 20 0 GGADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)c1Cl ZINC000065833080 1408738083 /nfs/dbraw/zinc/73/80/83/1408738083.db2.gz YXBCIILREHHTJW-UHFFFAOYSA-N -2 3 380.297 3.045 20 0 GGADHL O=C(CCC(F)(F)F)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822950448 1428350708 /nfs/dbraw/zinc/35/07/08/1428350708.db2.gz OLPCVEQEMGBBDD-UHFFFAOYSA-N -2 3 382.371 3.195 20 0 GGADHL O=C(CCC(F)(F)F)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822950448 1428350715 /nfs/dbraw/zinc/35/07/15/1428350715.db2.gz OLPCVEQEMGBBDD-UHFFFAOYSA-N -2 3 382.371 3.195 20 0 GGADHL O=C(CCn1c(=O)c2ccccc2[n-]c1=S)Nc1cc(Cl)ccc1[O-] ZINC000067145356 1409021505 /nfs/dbraw/zinc/02/15/05/1409021505.db2.gz MBWIWVQMQMDALC-UHFFFAOYSA-N -2 3 375.837 3.447 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)ccc1OCC(=O)[O-] ZINC000068075474 1409291540 /nfs/dbraw/zinc/29/15/40/1409291540.db2.gz PKLFYOSMNGQSCQ-UHFFFAOYSA-N -2 3 386.429 3.050 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(C)cc(F)c3)c2)n1 ZINC000176690433 1428410519 /nfs/dbraw/zinc/41/05/19/1428410519.db2.gz DSXYIJRXJHRHIX-UHFFFAOYSA-N -2 3 387.436 3.248 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc(C(=O)[O-])c1C ZINC000079107649 1409959077 /nfs/dbraw/zinc/95/90/77/1409959077.db2.gz VEZWQWSMTKMNQU-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000094083730 1410302851 /nfs/dbraw/zinc/30/28/51/1410302851.db2.gz HZQHGKCDCCXNEG-LBPRGKRZSA-N -2 3 394.880 3.328 20 0 GGADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccc3C(=O)[O-])c(C)c2)cc1 ZINC000110142122 1411833849 /nfs/dbraw/zinc/83/38/49/1411833849.db2.gz XJZOAGFIXVHVMS-UHFFFAOYSA-N -2 3 398.440 3.487 20 0 GGADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3-c3ccccc3)ccc21 ZINC000111136019 1411890427 /nfs/dbraw/zinc/89/04/27/1411890427.db2.gz AHJYVZIHFBVFTO-UHFFFAOYSA-N -2 3 378.409 3.038 20 0 GGADHL O=C(Nc1nc(Br)ccc1[O-])c1ccc(Br)c([O-])c1 ZINC000121584730 1414187284 /nfs/dbraw/zinc/18/72/84/1414187284.db2.gz JNKYHUMQGASNRZ-UHFFFAOYSA-N -2 3 388.015 3.270 20 0 GGADHL Cc1ccc(CC(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826286512 1429060046 /nfs/dbraw/zinc/06/00/46/1429060046.db2.gz FIEWDULKROEDSD-UHFFFAOYSA-N -2 3 376.445 3.480 20 0 GGADHL Cc1ccc(CC(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826286512 1429060051 /nfs/dbraw/zinc/06/00/51/1429060051.db2.gz FIEWDULKROEDSD-UHFFFAOYSA-N -2 3 376.445 3.480 20 0 GGADHL COc1cc(F)cc2sc([N-]C(=O)C=Cc3ccccc3-c3nnn[n-]3)nc21 ZINC000737053715 1429125559 /nfs/dbraw/zinc/12/55/59/1429125559.db2.gz KZJYBXHVSLGXPW-VOTSOKGWSA-N -2 3 396.407 3.276 20 0 GGADHL COc1cc(F)cc2sc([N-]C(=O)C=Cc3ccccc3-c3nn[n-]n3)nc21 ZINC000737053715 1429125565 /nfs/dbraw/zinc/12/55/65/1429125565.db2.gz KZJYBXHVSLGXPW-VOTSOKGWSA-N -2 3 396.407 3.276 20 0 GGADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]c1nc(-c2ccc(O)cc2)cs1 ZINC000826402049 1429219575 /nfs/dbraw/zinc/21/95/75/1429219575.db2.gz LZDXSKBNJRCWBX-YFHOEESVSA-N -2 3 390.428 3.348 20 0 GGADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]c1nc(-c2ccc(O)cc2)cs1 ZINC000826402049 1429219579 /nfs/dbraw/zinc/21/95/79/1429219579.db2.gz LZDXSKBNJRCWBX-YFHOEESVSA-N -2 3 390.428 3.348 20 0 GGADHL O=S(=O)([N-]c1cccc(Cl)c1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000826493154 1429220409 /nfs/dbraw/zinc/22/04/09/1429220409.db2.gz WBDAIXNUSXSJGR-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1cccc(Cl)c1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000826493154 1429220414 /nfs/dbraw/zinc/22/04/14/1429220414.db2.gz WBDAIXNUSXSJGR-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)c(C)c1C(=O)[O-] ZINC000178954703 1429228230 /nfs/dbraw/zinc/22/82/30/1429228230.db2.gz VLNNCULEKYJWCY-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000824332882 1423632621 /nfs/dbraw/zinc/63/26/21/1423632621.db2.gz AEOKSXRCJRVIHU-UHFFFAOYSA-N -2 3 393.856 3.108 20 0 GGADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000826408484 1423759856 /nfs/dbraw/zinc/75/98/56/1423759856.db2.gz IHIGTZQISRKUMY-UHFFFAOYSA-N -2 3 391.353 3.066 20 0 GGADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000826408484 1423759858 /nfs/dbraw/zinc/75/98/58/1423759858.db2.gz IHIGTZQISRKUMY-UHFFFAOYSA-N -2 3 391.353 3.066 20 0 GGADHL O=C([N-]c1nncs1)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738209688 1424936152 /nfs/dbraw/zinc/93/61/52/1424936152.db2.gz RFYBMOAZOOGNFT-UHFFFAOYSA-N -2 3 399.823 3.416 20 0 GGADHL O=C([N-]c1nncs1)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000738209688 1424936154 /nfs/dbraw/zinc/93/61/54/1424936154.db2.gz RFYBMOAZOOGNFT-UHFFFAOYSA-N -2 3 399.823 3.416 20 0 GGADHL Cc1nc([N-]C(=O)Cc2cccc(-c3nn[n-]n3)c2)sc1Cc1ccccc1 ZINC000822449743 1424993950 /nfs/dbraw/zinc/99/39/50/1424993950.db2.gz NDNVBZYMURAXCZ-UHFFFAOYSA-N -2 3 390.472 3.404 20 0 GGADHL Cc1nc([N-]C(=O)Cc2cccc(-c3nnn[n-]3)c2)sc1Cc1ccccc1 ZINC000822449743 1424993954 /nfs/dbraw/zinc/99/39/54/1424993954.db2.gz NDNVBZYMURAXCZ-UHFFFAOYSA-N -2 3 390.472 3.404 20 0 GGADHL CCN(CC1CC1)C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736535392 1425109075 /nfs/dbraw/zinc/10/90/75/1425109075.db2.gz UQFYWTZTEGNFAL-UHFFFAOYSA-N -2 3 383.481 3.178 20 0 GGADHL CCN(CC1CC1)C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736535392 1425109095 /nfs/dbraw/zinc/10/90/95/1425109095.db2.gz UQFYWTZTEGNFAL-UHFFFAOYSA-N -2 3 383.481 3.178 20 0 GGADHL CCc1nc([N-]C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)sc1C ZINC000736707058 1425313656 /nfs/dbraw/zinc/31/36/56/1425313656.db2.gz WBRXQCZMIIWOAW-UHFFFAOYSA-N -2 3 386.481 3.382 20 0 GGADHL CCc1nc([N-]C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)sc1C ZINC000736707058 1425313666 /nfs/dbraw/zinc/31/36/66/1425313666.db2.gz WBRXQCZMIIWOAW-UHFFFAOYSA-N -2 3 386.481 3.382 20 0 GGADHL C[C@@H]1CC[C@H](CCC(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)O1 ZINC000824906473 1425326652 /nfs/dbraw/zinc/32/66/52/1425326652.db2.gz BXHFLAHPGWLTNB-BXUZGUMPSA-N -2 3 384.465 3.276 20 0 GGADHL C[C@@H]1CC[C@H](CCC(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)O1 ZINC000824906473 1425326659 /nfs/dbraw/zinc/32/66/59/1425326659.db2.gz BXHFLAHPGWLTNB-BXUZGUMPSA-N -2 3 384.465 3.276 20 0 GGADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000823582852 1425930343 /nfs/dbraw/zinc/93/03/43/1425930343.db2.gz CBXFKWOBTSVEDZ-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cccc(Cl)c1[O-] ZINC000172355307 1426013092 /nfs/dbraw/zinc/01/30/92/1426013092.db2.gz QIVYLZJGFDWLEC-UHFFFAOYSA-N -2 3 384.823 3.071 20 0 GGADHL O=C(CCCn1cccc1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826406908 1426243343 /nfs/dbraw/zinc/24/33/43/1426243343.db2.gz SDUUORDXVUYKBV-UHFFFAOYSA-N -2 3 379.449 3.211 20 0 GGADHL O=C(CCCn1cccc1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826406908 1426243347 /nfs/dbraw/zinc/24/33/47/1426243347.db2.gz SDUUORDXVUYKBV-UHFFFAOYSA-N -2 3 379.449 3.211 20 0 GGADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000172897134 1426244508 /nfs/dbraw/zinc/24/45/08/1426244508.db2.gz BBOYBIHHMQDWQQ-UHFFFAOYSA-N -2 3 390.486 3.321 20 0 GGADHL CC(C)c1cnc([N-]C(=O)[C@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735932472 1426413740 /nfs/dbraw/zinc/41/37/40/1426413740.db2.gz MCUHTWMVTWEZDD-CQSZACIVSA-N -2 3 383.481 3.054 20 0 GGADHL CC(C)c1cnc([N-]C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735932472 1426413743 /nfs/dbraw/zinc/41/37/43/1426413743.db2.gz MCUHTWMVTWEZDD-CQSZACIVSA-N -2 3 383.481 3.054 20 0 GGADHL Cc1cncc(C=CC(=O)[N-]c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000822399960 1426481027 /nfs/dbraw/zinc/48/10/27/1426481027.db2.gz QTENTNKTZIKAMO-FARCUNLSSA-N -2 3 389.444 3.346 20 0 GGADHL Cc1cncc(C=CC(=O)[N-]c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000822399960 1426481031 /nfs/dbraw/zinc/48/10/31/1426481031.db2.gz QTENTNKTZIKAMO-FARCUNLSSA-N -2 3 389.444 3.346 20 0 GGADHL Cc1nc(SCC(=O)[N-]c2ncc(Cl)s2)c(-c2nnn[n-]2)c(C)c1C ZINC000822454091 1426512171 /nfs/dbraw/zinc/51/21/71/1426512171.db2.gz SUAYFFJNHMNCAP-UHFFFAOYSA-N -2 3 395.901 3.028 20 0 GGADHL Cc1nc(SCC(=O)[N-]c2ncc(Cl)s2)c(-c2nn[n-]n2)c(C)c1C ZINC000822454091 1426512178 /nfs/dbraw/zinc/51/21/78/1426512178.db2.gz SUAYFFJNHMNCAP-UHFFFAOYSA-N -2 3 395.901 3.028 20 0 GGADHL Cc1c([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cccc1-c1nn[n-]n1 ZINC000822128266 1426837952 /nfs/dbraw/zinc/83/79/52/1426837952.db2.gz AHKVQUJKYDKTMW-UHFFFAOYSA-N -2 3 399.476 3.297 20 0 GGADHL Cc1c([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)cccc1-c1nnn[n-]1 ZINC000822128266 1426837957 /nfs/dbraw/zinc/83/79/57/1426837957.db2.gz AHKVQUJKYDKTMW-UHFFFAOYSA-N -2 3 399.476 3.297 20 0 GGADHL O=C([N-]c1nncs1)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826460704 1426916961 /nfs/dbraw/zinc/91/69/61/1426916961.db2.gz NYCVHMZIABBBGN-UHFFFAOYSA-N -2 3 399.823 3.416 20 0 GGADHL CC(C)C[C@@H](C)NC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824228589 1427403333 /nfs/dbraw/zinc/40/33/33/1427403333.db2.gz KAVPYUIXAJCRJY-GFCCVEGCSA-N -2 3 385.497 3.470 20 0 GGADHL CC(C)C[C@@H](C)NC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824228589 1427403335 /nfs/dbraw/zinc/40/33/35/1427403335.db2.gz KAVPYUIXAJCRJY-GFCCVEGCSA-N -2 3 385.497 3.470 20 0 GGADHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000824207454 1427594806 /nfs/dbraw/zinc/59/48/06/1427594806.db2.gz WUPLGKHLCZTHOH-INIZCTEOSA-N -2 3 387.827 3.268 20 0 GGADHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000824207454 1427594809 /nfs/dbraw/zinc/59/48/09/1427594809.db2.gz WUPLGKHLCZTHOH-INIZCTEOSA-N -2 3 387.827 3.268 20 0 GGADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736329245 1428011901 /nfs/dbraw/zinc/01/19/01/1428011901.db2.gz SJRFVOIRVOXMRY-LLVKDONJSA-N -2 3 375.429 3.320 20 0 GGADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736329245 1428011906 /nfs/dbraw/zinc/01/19/06/1428011906.db2.gz SJRFVOIRVOXMRY-LLVKDONJSA-N -2 3 375.429 3.320 20 0 GGADHL O=C(Cc1cccc(F)c1F)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000823112394 1429880841 /nfs/dbraw/zinc/88/08/41/1429880841.db2.gz YTHRPMFZODBTOY-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL O=C(Cc1cccc(F)c1F)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000823112394 1429880852 /nfs/dbraw/zinc/88/08/52/1429880852.db2.gz YTHRPMFZODBTOY-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(OCC(F)(F)F)nc1 ZINC000182420857 1430464740 /nfs/dbraw/zinc/46/47/40/1430464740.db2.gz PNNRQCHBVCMOBE-UHFFFAOYSA-N -2 3 382.747 3.183 20 0 GGADHL CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1 ZINC000182491945 1430476855 /nfs/dbraw/zinc/47/68/55/1430476855.db2.gz WJKYVPVFZPLRNB-UHFFFAOYSA-N -2 3 382.869 3.328 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(F)c(F)c([O-])c3F)c2)n1 ZINC000183421941 1430707645 /nfs/dbraw/zinc/70/76/45/1430707645.db2.gz FTQMXJVURPXQLU-UHFFFAOYSA-N -2 3 389.333 3.375 20 0 GGADHL O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000184621252 1430922021 /nfs/dbraw/zinc/92/20/21/1430922021.db2.gz VDEQYVIJLOEDEP-UHFFFAOYSA-N -2 3 391.174 3.003 20 0 GGADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)C2CC2)s1 ZINC000185067046 1431053007 /nfs/dbraw/zinc/05/30/07/1431053007.db2.gz OHAXJJBRELVPCQ-AWEZNQCLSA-N -2 3 384.454 3.027 20 0 GGADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)C2CC2)s1 ZINC000185067027 1431053126 /nfs/dbraw/zinc/05/31/26/1431053126.db2.gz OHAXJJBRELVPCQ-CQSZACIVSA-N -2 3 384.454 3.027 20 0 GGADHL Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)s1 ZINC000185097826 1431060248 /nfs/dbraw/zinc/06/02/48/1431060248.db2.gz WALYJLKDHBERGU-ZETCQYMHSA-N -2 3 395.289 3.496 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)c2ccc(Cl)cc2F)sc1Cl ZINC000190312310 1432358222 /nfs/dbraw/zinc/35/82/22/1432358222.db2.gz PTVQLNUVNOGPLE-UHFFFAOYSA-N -2 3 383.253 3.126 20 0 GGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1c(F)cc(Br)cc1F ZINC000193538216 1433016666 /nfs/dbraw/zinc/01/66/66/1433016666.db2.gz SQYLGEONMIHXIC-UHFFFAOYSA-N -2 3 379.164 3.427 20 0 GGADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)C2CC2)c1 ZINC000267248608 1434416674 /nfs/dbraw/zinc/41/66/74/1434416674.db2.gz UJNKRTFIRJVROZ-GFCCVEGCSA-N -2 3 390.461 3.186 20 0 GGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OCCOC)cc2C)cc1C(=O)[O-] ZINC000269665611 1434667846 /nfs/dbraw/zinc/66/78/46/1434667846.db2.gz LSUXCDAFUKKVSF-UHFFFAOYSA-N -2 3 393.461 3.082 20 0 GGADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000269914348 1434686504 /nfs/dbraw/zinc/68/65/04/1434686504.db2.gz SCSRUJNUHRIUOL-UHFFFAOYSA-N -2 3 380.441 3.464 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1CC(=O)[O-] ZINC000271635082 1434840655 /nfs/dbraw/zinc/84/06/55/1434840655.db2.gz QASISLAWBAAFFB-UHFFFAOYSA-N -2 3 395.502 3.029 20 0 GGADHL COc1cccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1OC(F)F ZINC000279162963 1435466601 /nfs/dbraw/zinc/46/66/01/1435466601.db2.gz BYERCXGHIUSUHP-SOFGYWHQSA-N -2 3 380.347 3.288 20 0 GGADHL COc1cc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c(SC)cc1OC ZINC000281829734 1435823525 /nfs/dbraw/zinc/82/35/25/1435823525.db2.gz HGFRHIUFJUQSDO-FNORWQNLSA-N -2 3 390.461 3.417 20 0 GGADHL O=C(CCC1CCOCC1)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822950251 1441442827 /nfs/dbraw/zinc/44/28/27/1441442827.db2.gz HCWJSDIZZQJRRG-UHFFFAOYSA-N -2 3 398.492 3.059 20 0 GGADHL O=C(CCC1CCOCC1)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822950251 1441442832 /nfs/dbraw/zinc/44/28/32/1441442832.db2.gz HCWJSDIZZQJRRG-UHFFFAOYSA-N -2 3 398.492 3.059 20 0 GGADHL C[C@H](NC(=O)[N-]c1nc2c(s1)CCCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000820380593 1441740264 /nfs/dbraw/zinc/74/02/64/1441740264.db2.gz XCFUWKYWKYZAPQ-NSHDSACASA-N -2 3 383.481 3.475 20 0 GGADHL C[C@H](NC(=O)[N-]c1nc2c(s1)CCCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000820380593 1441740268 /nfs/dbraw/zinc/74/02/68/1441740268.db2.gz XCFUWKYWKYZAPQ-NSHDSACASA-N -2 3 383.481 3.475 20 0 GGADHL O=C(CC[C@@H]1CCCCO1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826405862 1441952557 /nfs/dbraw/zinc/95/25/57/1441952557.db2.gz WZGWGMDPFMYGQL-AWEZNQCLSA-N -2 3 384.465 3.278 20 0 GGADHL O=C(CC[C@@H]1CCCCO1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826405862 1441952560 /nfs/dbraw/zinc/95/25/60/1441952560.db2.gz WZGWGMDPFMYGQL-AWEZNQCLSA-N -2 3 384.465 3.278 20 0 GGADHL O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493007 1442070782 /nfs/dbraw/zinc/07/07/82/1442070782.db2.gz ORARXYCAIONPCR-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493007 1442070787 /nfs/dbraw/zinc/07/07/87/1442070787.db2.gz ORARXYCAIONPCR-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL Cc1ccccc1CC(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826306823 1442476079 /nfs/dbraw/zinc/47/60/79/1442476079.db2.gz MJLGCFKGPTYMER-UHFFFAOYSA-N -2 3 376.445 3.480 20 0 GGADHL Cc1ccccc1CC(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826306823 1442476080 /nfs/dbraw/zinc/47/60/80/1442476080.db2.gz MJLGCFKGPTYMER-UHFFFAOYSA-N -2 3 376.445 3.480 20 0 GGADHL O=C(CC(c1ccccc1)c1ccccc1)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000822936675 1443316628 /nfs/dbraw/zinc/31/66/28/1443316628.db2.gz WYWRCIYMTDUZDM-UHFFFAOYSA-N -2 3 376.445 3.484 20 0 GGADHL O=C(CC(c1ccccc1)c1ccccc1)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822936675 1443316633 /nfs/dbraw/zinc/31/66/33/1443316633.db2.gz WYWRCIYMTDUZDM-UHFFFAOYSA-N -2 3 376.445 3.484 20 0 GGADHL O=C(CSc1cc(Cl)ccc1Cl)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000823061048 1443808779 /nfs/dbraw/zinc/80/87/79/1443808779.db2.gz TTXXKWQBDIGPDQ-UHFFFAOYSA-N -2 3 387.277 3.361 20 0 GGADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C ZINC000822224175 1443899693 /nfs/dbraw/zinc/89/96/93/1443899693.db2.gz YUPPLWNMDFCBDK-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C ZINC000822224175 1443899696 /nfs/dbraw/zinc/89/96/96/1443899696.db2.gz YUPPLWNMDFCBDK-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL CS[C@@H](C)CCC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826226080 1443994198 /nfs/dbraw/zinc/99/41/98/1443994198.db2.gz ROSAXCPGNBZQGK-NSHDSACASA-N -2 3 388.522 3.384 20 0 GGADHL CS[C@@H](C)CCC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826226080 1443994200 /nfs/dbraw/zinc/99/42/00/1443994200.db2.gz ROSAXCPGNBZQGK-NSHDSACASA-N -2 3 388.522 3.384 20 0 GGADHL CC[C@@H]1C[C@@H](C(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCO1 ZINC000825183466 1444026379 /nfs/dbraw/zinc/02/63/79/1444026379.db2.gz OZQOHVMXRHCUPJ-UONOGXRCSA-N -2 3 384.465 3.134 20 0 GGADHL CC[C@@H]1C[C@@H](C(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCO1 ZINC000825183466 1444026384 /nfs/dbraw/zinc/02/63/84/1444026384.db2.gz OZQOHVMXRHCUPJ-UONOGXRCSA-N -2 3 384.465 3.134 20 0 GGADHL CCSCc1cccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000736668074 1446122906 /nfs/dbraw/zinc/12/29/06/1446122906.db2.gz XCKMETPUGBHZBM-UHFFFAOYSA-N -2 3 389.506 3.229 20 0 GGADHL CCSCc1cccc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000736668074 1446122908 /nfs/dbraw/zinc/12/29/08/1446122908.db2.gz XCKMETPUGBHZBM-UHFFFAOYSA-N -2 3 389.506 3.229 20 0 GGADHL CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000825826021 1446176277 /nfs/dbraw/zinc/17/62/77/1446176277.db2.gz SDVJXYSNAMFYPL-UHFFFAOYSA-N -2 3 385.427 3.440 20 0 GGADHL CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000825826021 1446176281 /nfs/dbraw/zinc/17/62/81/1446176281.db2.gz SDVJXYSNAMFYPL-UHFFFAOYSA-N -2 3 385.427 3.440 20 0 GGADHL CC(C)(C)c1csc([N-]C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000735656015 1446181104 /nfs/dbraw/zinc/18/11/04/1446181104.db2.gz FQXYFCGOUMMMAV-UHFFFAOYSA-N -2 3 375.433 3.082 20 0 GGADHL CC(C)(C)c1csc([N-]C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000735656015 1446181110 /nfs/dbraw/zinc/18/11/10/1446181110.db2.gz FQXYFCGOUMMMAV-UHFFFAOYSA-N -2 3 375.433 3.082 20 0 GGADHL CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735652681 1446567738 /nfs/dbraw/zinc/56/77/38/1446567738.db2.gz RFPXHAYBZNHFSE-UHFFFAOYSA-N -2 3 375.429 3.104 20 0 GGADHL CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735652681 1446567742 /nfs/dbraw/zinc/56/77/42/1446567742.db2.gz RFPXHAYBZNHFSE-UHFFFAOYSA-N -2 3 375.429 3.104 20 0 GGADHL CC[C@H](C)CN(C)C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736322564 1446837361 /nfs/dbraw/zinc/83/73/61/1446837361.db2.gz LYUDPTFMGVZHBB-LBPRGKRZSA-N -2 3 385.497 3.424 20 0 GGADHL CC[C@H](C)CN(C)C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736322564 1446837365 /nfs/dbraw/zinc/83/73/65/1446837365.db2.gz LYUDPTFMGVZHBB-LBPRGKRZSA-N -2 3 385.497 3.424 20 0 GGADHL O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)[N-]c1nc(C2CC2)cs1 ZINC000737842867 1446878997 /nfs/dbraw/zinc/87/89/97/1446878997.db2.gz XOAQMDZWNAKGHO-UHFFFAOYSA-N -2 3 384.465 3.388 20 0 GGADHL O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)[N-]c1nc(C2CC2)cs1 ZINC000737842867 1446879004 /nfs/dbraw/zinc/87/90/04/1446879004.db2.gz XOAQMDZWNAKGHO-UHFFFAOYSA-N -2 3 384.465 3.388 20 0 GGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000825341371 1446890090 /nfs/dbraw/zinc/89/00/90/1446890090.db2.gz AWBRAXTYARVQJM-UHFFFAOYSA-N -2 3 393.856 3.110 20 0 GGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000825341371 1446890094 /nfs/dbraw/zinc/89/00/94/1446890094.db2.gz AWBRAXTYARVQJM-UHFFFAOYSA-N -2 3 393.856 3.110 20 0 GGADHL O=C(Nc1c([O-])cccc1F)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823289121 1446903027 /nfs/dbraw/zinc/90/30/27/1446903027.db2.gz BUDYVEQMHWGBOB-UHFFFAOYSA-N -2 3 392.350 3.151 20 0 GGADHL O=C(Nc1c([O-])cccc1F)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823289121 1446903031 /nfs/dbraw/zinc/90/30/31/1446903031.db2.gz BUDYVEQMHWGBOB-UHFFFAOYSA-N -2 3 392.350 3.151 20 0 GGADHL CC[C@H]1C[C@@H](C(=O)[N-]c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCO1 ZINC000825182503 1447005188 /nfs/dbraw/zinc/00/51/88/1447005188.db2.gz KKRCIZHRJKKNHB-KBPBESRZSA-N -2 3 384.465 3.134 20 0 GGADHL CC[C@H]1C[C@@H](C(=O)[N-]c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCO1 ZINC000825182503 1447005191 /nfs/dbraw/zinc/00/51/91/1447005191.db2.gz KKRCIZHRJKKNHB-KBPBESRZSA-N -2 3 384.465 3.134 20 0 GGADHL O=C(C=Cc1cncc(F)c1)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737807064 1447195084 /nfs/dbraw/zinc/19/50/84/1447195084.db2.gz NGIQTCJKVUBEHY-BHQIHCQQSA-N -2 3 393.407 3.176 20 0 GGADHL O=C(C=Cc1cncc(F)c1)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737807064 1447195087 /nfs/dbraw/zinc/19/50/87/1447195087.db2.gz NGIQTCJKVUBEHY-BHQIHCQQSA-N -2 3 393.407 3.176 20 0 GGADHL O=C(Nc1cccc([O-])c1F)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826457126 1449056511 /nfs/dbraw/zinc/05/65/11/1449056511.db2.gz NAQZLISBZVRAES-UHFFFAOYSA-N -2 3 395.350 3.136 20 0 GGADHL O=C(Nc1cccc([O-])c1F)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826457126 1449056514 /nfs/dbraw/zinc/05/65/14/1449056514.db2.gz NAQZLISBZVRAES-UHFFFAOYSA-N -2 3 395.350 3.136 20 0 GGADHL COc1ccc2nc([N-]C(=O)CSc3ccccc3-c3nnn[n-]3)sc2c1 ZINC000821854647 1449302202 /nfs/dbraw/zinc/30/22/02/1449302202.db2.gz QGDLLGMURGXIFE-UHFFFAOYSA-N -2 3 398.473 3.216 20 0 GGADHL COc1ccc2nc([N-]C(=O)CSc3ccccc3-c3nn[n-]n3)sc2c1 ZINC000821854647 1449302207 /nfs/dbraw/zinc/30/22/07/1449302207.db2.gz QGDLLGMURGXIFE-UHFFFAOYSA-N -2 3 398.473 3.216 20 0 GGADHL Cc1nc(CC(C)C)c([N-]C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822436264 1449406101 /nfs/dbraw/zinc/40/61/01/1449406101.db2.gz KDZQUMUFASJRHA-NSHDSACASA-N -2 3 386.481 3.236 20 0 GGADHL Cc1nc(CC(C)C)c([N-]C(=O)[C@H](C)Oc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822436264 1449406106 /nfs/dbraw/zinc/40/61/06/1449406106.db2.gz KDZQUMUFASJRHA-NSHDSACASA-N -2 3 386.481 3.236 20 0 GGADHL CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000735735191 1449743148 /nfs/dbraw/zinc/74/31/48/1449743148.db2.gz LSUPKDLRCJSCNH-MRXNPFEDSA-N -2 3 387.827 3.268 20 0 GGADHL CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000735735191 1449743152 /nfs/dbraw/zinc/74/31/52/1449743152.db2.gz LSUPKDLRCJSCNH-MRXNPFEDSA-N -2 3 387.827 3.268 20 0 GGADHL Cc1sc([N-]C(=O)Cc2cccc(-c3nnn[n-]3)c2)nc1-c1ccccc1 ZINC000822562568 1449816513 /nfs/dbraw/zinc/81/65/13/1449816513.db2.gz BPLHPOIYQPRXLJ-UHFFFAOYSA-N -2 3 376.445 3.480 20 0 GGADHL Cc1sc([N-]C(=O)Cc2cccc(-c3nn[n-]n3)c2)nc1-c1ccccc1 ZINC000822562568 1449816518 /nfs/dbraw/zinc/81/65/18/1449816518.db2.gz BPLHPOIYQPRXLJ-UHFFFAOYSA-N -2 3 376.445 3.480 20 0 GGADHL O=C([N-]c1ncc(-c2nnn[n-]2)s1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000823380442 1450146790 /nfs/dbraw/zinc/14/67/90/1450146790.db2.gz XYTLUSFVORNWDR-UHFFFAOYSA-N -2 3 380.355 3.012 20 0 GGADHL CC[C@@](NC(=O)c1nnc2ccccc2c1[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795539766 939156586 /nfs/dbraw/zinc/15/65/86/939156586.db2.gz KIURXBMIPKHCKQ-IBGZPJMESA-N -2 3 385.807 3.109 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)N[C@@H](C(=O)[O-])c3ccsc3)cc2)cc(=O)[n-]1 ZINC000520321060 939254060 /nfs/dbraw/zinc/25/40/60/939254060.db2.gz CVXLXPNXXJEQII-MRXNPFEDSA-N -2 3 384.417 3.167 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)N[C@H](C(=O)[O-])c3ccsc3)cc2)cc(=O)[n-]1 ZINC000520321059 939254204 /nfs/dbraw/zinc/25/42/04/939254204.db2.gz CVXLXPNXXJEQII-INIZCTEOSA-N -2 3 384.417 3.167 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2)cc(=O)[n-]1 ZINC000521528462 939256449 /nfs/dbraw/zinc/25/64/49/939256449.db2.gz QGFTUMLFOKTZPQ-GOSISDBHSA-N -2 3 378.388 3.105 20 0 GGADHL Cc1nc(C)c(CCC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)c(=O)[n-]1 ZINC001611232640 970946517 /nfs/dbraw/zinc/94/65/17/970946517.db2.gz ONOCPBHDCFEYNM-SECBINFHSA-N -2 3 389.477 3.255 20 0 GGADHL Cc1cnc(Br)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000323779160 971037149 /nfs/dbraw/zinc/03/71/49/971037149.db2.gz ZQNZECWBZNLEAM-UHFFFAOYSA-N -2 3 399.266 3.268 20 0 GGADHL O=C([O-])c1c(F)ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1F ZINC000327864902 971429700 /nfs/dbraw/zinc/42/97/00/971429700.db2.gz VOWDEHSTUBVENZ-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL O=C([O-])c1c(F)ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1F ZINC000327873364 971430765 /nfs/dbraw/zinc/43/07/65/971430765.db2.gz XOCZZSIHKSXJCN-UHFFFAOYSA-N -2 3 392.723 3.025 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nn[n-]n2)c1Cl ZINC000826303737 947873817 /nfs/dbraw/zinc/87/38/17/947873817.db2.gz CBIHSAXRHILFSH-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000328261119 971458158 /nfs/dbraw/zinc/45/81/58/971458158.db2.gz FAJOYZZZFUFDKC-GFCCVEGCSA-N -2 3 398.462 3.110 20 0 GGADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H](c1cccs1)c1ccc(F)cc1 ZINC000328261120 971457891 /nfs/dbraw/zinc/45/78/91/971457891.db2.gz FAJOYZZZFUFDKC-LBPRGKRZSA-N -2 3 398.462 3.110 20 0 GGADHL CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001574082790 948862431 /nfs/dbraw/zinc/86/24/31/948862431.db2.gz JWWJSGAYFBFCKF-MRXNPFEDSA-N -2 3 387.827 3.034 20 0 GGADHL CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001574082790 948862443 /nfs/dbraw/zinc/86/24/43/948862443.db2.gz JWWJSGAYFBFCKF-MRXNPFEDSA-N -2 3 387.827 3.034 20 0 GGADHL C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001575511016 949130302 /nfs/dbraw/zinc/13/03/02/949130302.db2.gz JKIPOQULNYFASF-JTQLQIEISA-N -2 3 380.433 3.130 20 0 GGADHL C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001575511016 949130316 /nfs/dbraw/zinc/13/03/16/949130316.db2.gz JKIPOQULNYFASF-JTQLQIEISA-N -2 3 380.433 3.130 20 0 GGADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC001602862015 971728085 /nfs/dbraw/zinc/72/80/85/971728085.db2.gz ZIDMXLRZTCTJTI-ZDUSSCGKSA-N -2 3 382.507 3.368 20 0 GGADHL CCC[C@](C)([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000383250406 971858233 /nfs/dbraw/zinc/85/82/33/971858233.db2.gz DSKKXHMWGSAXDK-LBPRGKRZSA-N -2 3 384.679 3.024 20 0 GGADHL O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001594785886 953669762 /nfs/dbraw/zinc/66/97/62/953669762.db2.gz XUMNBDLSCIAWCA-FQEVSTJZSA-N -2 3 391.423 3.114 20 0 GGADHL O=C([O-])c1cc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)ccc1O ZINC001594805461 953777939 /nfs/dbraw/zinc/77/79/39/953777939.db2.gz OAIZMIQWITXWAH-UHFFFAOYSA-N -2 3 380.356 3.028 20 0 GGADHL O=C([O-])[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C1CC1 ZINC001594842655 954093595 /nfs/dbraw/zinc/09/35/95/954093595.db2.gz FOZSDEHTGJHSMD-GFCCVEGCSA-N -2 3 376.825 3.130 20 0 GGADHL Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC001594570123 955871928 /nfs/dbraw/zinc/87/19/28/955871928.db2.gz PWOLVNBOKAPNHE-UHFFFAOYSA-N -2 3 394.412 3.353 20 0 GGADHL O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001594719586 956960864 /nfs/dbraw/zinc/96/08/64/956960864.db2.gz UEIAEQPVCSKKKF-SFHVURJKSA-N -2 3 378.384 3.005 20 0 GGADHL O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001594719585 956961180 /nfs/dbraw/zinc/96/11/80/956961180.db2.gz UEIAEQPVCSKKKF-GOSISDBHSA-N -2 3 378.384 3.005 20 0 GGADHL O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc([O-])cc(Br)c2)c2ccccc21 ZINC001594726341 957008439 /nfs/dbraw/zinc/00/84/39/957008439.db2.gz MBUAZMIPELBYPS-HUUCEWRRSA-N -2 3 376.206 3.198 20 0 GGADHL O=C([O-])[C@@H]1C[C@H](NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c2ccccc21 ZINC001594726870 957013906 /nfs/dbraw/zinc/01/39/06/957013906.db2.gz PAUQCZOZHPMXRU-CJNGLKHVSA-N -2 3 382.803 3.225 20 0 GGADHL O=C([O-])[C@@H]1C[C@@H](NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c2ccccc21 ZINC001594726871 957014603 /nfs/dbraw/zinc/01/46/03/957014603.db2.gz PAUQCZOZHPMXRU-CZUORRHYSA-N -2 3 382.803 3.225 20 0 GGADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Br)c2)c(F)cc1F ZINC000047383459 957456578 /nfs/dbraw/zinc/45/65/78/957456578.db2.gz HXFRFQYZMFVCTN-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000048382850 957457866 /nfs/dbraw/zinc/45/78/66/957457866.db2.gz VLAUOYDOZYMAKZ-UHFFFAOYSA-N -2 3 379.434 3.046 20 0 GGADHL CCCCCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329571 957545324 /nfs/dbraw/zinc/54/53/24/957545324.db2.gz ZCRXBVCJSRWLIV-VIFPVBQESA-N -2 3 382.276 3.378 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000055579616 957546715 /nfs/dbraw/zinc/54/67/15/957546715.db2.gz NTGYNCRGULJRRI-UHFFFAOYSA-N -3 3 377.418 3.316 20 0 GGADHL Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000065080123 957639322 /nfs/dbraw/zinc/63/93/22/957639322.db2.gz BBGXSLHCBWHUFM-UHFFFAOYSA-N -2 3 392.502 3.047 20 0 GGADHL Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000065223884 957639404 /nfs/dbraw/zinc/63/94/04/957639404.db2.gz UWDVGUBFGWDHAN-UHFFFAOYSA-N -2 3 399.428 3.385 20 0 GGADHL Cc1cc(Cl)c(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)c(Br)c1 ZINC001594307645 957983203 /nfs/dbraw/zinc/98/32/03/957983203.db2.gz QOXYNAVBZBCAGO-UHFFFAOYSA-N -2 3 396.690 3.087 20 0 GGADHL Cc1cc(F)cc2c(=O)c(C(=O)N3CC[C@@H](C(=O)[O-])c4ccccc43)c[n-]c12 ZINC001594311934 958039728 /nfs/dbraw/zinc/03/97/28/958039728.db2.gz NCMYWIQAXRCPFE-CQSZACIVSA-N -2 3 380.375 3.194 20 0 GGADHL COc1ccc(Br)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000115934271 958456986 /nfs/dbraw/zinc/45/69/86/958456986.db2.gz AHXVATDZCUCOFT-UHFFFAOYSA-N -2 3 392.252 3.018 20 0 GGADHL CS(=O)(=O)c1ccc(C(=O)[N-]c2scc(-c3ccsc3)c2C(=O)[O-])o1 ZINC001594175373 959038324 /nfs/dbraw/zinc/03/83/24/959038324.db2.gz ZOPYYYUQUPKWSB-UHFFFAOYSA-N -2 3 397.455 3.424 20 0 GGADHL Cc1nc(C)c(CCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c(=O)[n-]1 ZINC001594449443 959350576 /nfs/dbraw/zinc/35/05/76/959350576.db2.gz UEDPNDWWRPIQQZ-UHFFFAOYSA-N -2 3 375.450 3.009 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1Cl ZINC000174683142 959421461 /nfs/dbraw/zinc/42/14/61/959421461.db2.gz QURPMGQISHQQCH-UHFFFAOYSA-N -2 3 395.799 3.164 20 0 GGADHL C[C@@](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001573601557 959448260 /nfs/dbraw/zinc/44/82/60/959448260.db2.gz OPQHLLDDZDMLEA-INIZCTEOSA-N -2 3 388.272 3.314 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)ccc1F ZINC001186179483 960538972 /nfs/dbraw/zinc/53/89/72/960538972.db2.gz PTGCPLDYDFNHIP-UHFFFAOYSA-N -2 3 386.404 3.311 20 0 GGADHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(=O)c1ccccc1 ZINC001259221578 960681961 /nfs/dbraw/zinc/68/19/61/960681961.db2.gz MKIFMHBHOCRWRE-UHFFFAOYSA-N -2 3 399.827 3.117 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCc3ccc(F)cc32)c(F)cc1Cl ZINC001259222808 960686476 /nfs/dbraw/zinc/68/64/76/960686476.db2.gz FJLZTDXCWIAIBI-CQSZACIVSA-N -2 3 387.791 3.282 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cc3ccccc3o2)c(F)cc1Cl ZINC001259222870 960687195 /nfs/dbraw/zinc/68/71/95/960687195.db2.gz HWHCWTBNXARJTN-UHFFFAOYSA-N -2 3 383.784 3.402 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)c(F)cc1Cl ZINC001259222568 960687730 /nfs/dbraw/zinc/68/77/30/960687730.db2.gz WPXCVTQMDBESLH-UHFFFAOYSA-N -2 3 385.791 3.281 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)c(F)cc1Cl ZINC001259224904 960691714 /nfs/dbraw/zinc/69/17/14/960691714.db2.gz UTSPHMWGVJLYAS-HNNXBMFYSA-N -2 3 384.816 3.002 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc3C2)c(F)cc1Cl ZINC001259225256 960693606 /nfs/dbraw/zinc/69/36/06/960693606.db2.gz IBLUGPHDIMRKEA-NSHDSACASA-N -2 3 397.855 3.261 20 0 GGADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)c1 ZINC001260215131 960707774 /nfs/dbraw/zinc/70/77/74/960707774.db2.gz KEJKHBWDWQKMMQ-UHFFFAOYSA-N -2 3 392.452 3.311 20 0 GGADHL Cc1c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cccc1C(F)(F)F ZINC001260398391 960720734 /nfs/dbraw/zinc/72/07/34/960720734.db2.gz FCAQQHILJYHZIU-UHFFFAOYSA-N -2 3 375.324 3.218 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)ccc1O ZINC001260398852 960721114 /nfs/dbraw/zinc/72/11/14/960721114.db2.gz DGBLRCFIULQMDY-UHFFFAOYSA-N -2 3 397.408 3.122 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)ccc1O ZINC001260392318 960721581 /nfs/dbraw/zinc/72/15/81/960721581.db2.gz FPXQJTZBENXSFE-UHFFFAOYSA-N -2 3 386.385 3.079 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NC2(C(=O)[O-])CCCCCC2)s1 ZINC001588727229 961078443 /nfs/dbraw/zinc/07/84/43/961078443.db2.gz JVHNXXRDDMTQSC-UHFFFAOYSA-N -2 3 383.470 3.398 20 0 GGADHL Cc1cccc([C@H]([N-]C(=O)C(F)(F)c2ncccc2Br)C(=O)[O-])c1 ZINC001574390096 961167103 /nfs/dbraw/zinc/16/71/03/961167103.db2.gz QYPDTQUUOGSJRN-LBPRGKRZSA-N -2 3 399.191 3.186 20 0 GGADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC001574394857 961200251 /nfs/dbraw/zinc/20/02/51/961200251.db2.gz GJRGIZZWRSZBCP-UHFFFAOYSA-N -2 3 390.461 3.298 20 0 GGADHL CCCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000261701389 961387850 /nfs/dbraw/zinc/38/78/50/961387850.db2.gz IMDZGEJFJJPHPX-JTQLQIEISA-N -2 3 384.679 3.024 20 0 GGADHL O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)c1cc(Oc3ccccc3)ccc1[O-])O2 ZINC001574565525 962037959 /nfs/dbraw/zinc/03/79/59/962037959.db2.gz WRZQILHOAFZQKI-XKZIZAOGSA-N -2 3 397.427 3.327 20 0 GGADHL CCCN(CC(=O)[O-])Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000263582098 962748552 /nfs/dbraw/zinc/74/85/52/962748552.db2.gz YCLTWRAOPFLNAY-UHFFFAOYSA-N -2 3 375.425 3.500 20 0 GGADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)c1 ZINC001573345206 962928923 /nfs/dbraw/zinc/92/89/23/962928923.db2.gz LCWMTWNBJPWMHM-WHEQGISXSA-N -2 3 394.427 3.124 20 0 GGADHL O=C([O-])CC[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC001263063180 969694692 /nfs/dbraw/zinc/69/46/92/969694692.db2.gz OORVHGYOFBXDDG-GFCCVEGCSA-N -2 3 385.258 3.084 20 0 GGADHL O=C([O-])c1c(F)ccc([N-]S(=O)(=O)c2cccc(Br)c2)c1F ZINC000319802198 970573576 /nfs/dbraw/zinc/57/35/76/970573576.db2.gz YTHFSWKCQAVHKA-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001605824263 972558970 /nfs/dbraw/zinc/55/89/70/972558970.db2.gz TUYWHFBAFUEVSH-IBGZPJMESA-N -2 3 393.395 3.316 20 0 GGADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(C2CCCC2)cc1 ZINC001605974339 972991360 /nfs/dbraw/zinc/99/13/60/972991360.db2.gz MIBBZPAFBGABDD-IRXDYDNUSA-N -2 3 398.425 3.440 20 0 GGADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000400479393 973287256 /nfs/dbraw/zinc/28/72/56/973287256.db2.gz XRLHLGQMXTWSRZ-GZMMTYOYSA-N -2 3 398.706 3.270 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1C(=O)[O-] ZINC000427319937 974052869 /nfs/dbraw/zinc/05/28/69/974052869.db2.gz IPHXQEJWGNSDGO-UHFFFAOYSA-N -2 3 388.401 3.158 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1Cl ZINC000438780315 974102523 /nfs/dbraw/zinc/10/25/23/974102523.db2.gz XBNVMFBOLACFQZ-ZDUSSCGKSA-N -2 3 397.836 3.007 20 0 GGADHL COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)ccc2o1 ZINC000466338435 974189479 /nfs/dbraw/zinc/18/94/79/974189479.db2.gz WECYNCFQOSNGEJ-UHFFFAOYSA-N -2 3 389.385 3.027 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1 ZINC000466350103 974190808 /nfs/dbraw/zinc/19/08/08/974190808.db2.gz NYFBUOBJXFWSSR-UHFFFAOYSA-N -2 3 390.461 3.479 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c(F)c1 ZINC000486460949 974248801 /nfs/dbraw/zinc/24/88/01/974248801.db2.gz NYHREAHLYVKTKD-GFCCVEGCSA-N -2 3 391.342 3.148 20 0 GGADHL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c(C(=O)[O-])c1 ZINC000496066506 974261871 /nfs/dbraw/zinc/26/18/71/974261871.db2.gz BASLTTIQYGDUHE-UHFFFAOYSA-N -3 3 377.418 3.063 20 0 GGADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000504508828 974268706 /nfs/dbraw/zinc/26/87/06/974268706.db2.gz YUFXNAJDDHESBI-UHFFFAOYSA-N -2 3 375.446 3.220 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000507632860 974278457 /nfs/dbraw/zinc/27/84/57/974278457.db2.gz BZNHMSYUCVNDLT-NSHDSACASA-N -3 3 395.458 3.059 20 0 GGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1F ZINC000514839193 974293617 /nfs/dbraw/zinc/29/36/17/974293617.db2.gz LNEIGYORTXPGLV-UHFFFAOYSA-N -2 3 397.277 3.204 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000541802971 974413063 /nfs/dbraw/zinc/41/30/63/974413063.db2.gz VQCXRJYDDJSBRC-AWEZNQCLSA-N -2 3 377.462 3.458 20 0 GGADHL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1)C(=O)[O-] ZINC000542736573 974416104 /nfs/dbraw/zinc/41/61/04/974416104.db2.gz ZEJDLGFBWLOGOV-OLZOCXBDSA-N -2 3 375.446 3.074 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc1OC ZINC000544641289 974421081 /nfs/dbraw/zinc/42/10/81/974421081.db2.gz FSXGJARNWGMQTE-ZDUSSCGKSA-N -2 3 393.461 3.076 20 0 GGADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1OC(C)C ZINC000544844113 974422028 /nfs/dbraw/zinc/42/20/28/974422028.db2.gz MCODKYCIDJESRL-UHFFFAOYSA-N -2 3 379.434 3.290 20 0 GGADHL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1)C(=O)[O-] ZINC000544642475 974422062 /nfs/dbraw/zinc/42/20/62/974422062.db2.gz XOILMFCENWOFBE-CYBMUJFWSA-N -2 3 389.473 3.464 20 0 GGADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)C(=O)[O-] ZINC001603938569 974425859 /nfs/dbraw/zinc/42/58/59/974425859.db2.gz WJMBKAXDEQNYJY-KWQFWETISA-N -2 3 398.706 3.189 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1C(=O)[O-] ZINC000551944580 974479280 /nfs/dbraw/zinc/47/92/80/974479280.db2.gz LFMCQOHPZONTSK-UHFFFAOYSA-N -2 3 389.429 3.238 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000556801964 974490973 /nfs/dbraw/zinc/49/09/73/974490973.db2.gz SPDNBLOUYYYGFC-UHFFFAOYSA-N -2 3 389.429 3.238 20 0 GGADHL CC(C)Oc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000575800647 974800925 /nfs/dbraw/zinc/80/09/25/974800925.db2.gz XFOOAKYBMDIXJA-CYBMUJFWSA-N -2 3 381.450 3.065 20 0 GGADHL CC(C)Oc1ccc([N-]S(=O)(=O)C[C@@H](C(=O)[O-])c2ccccc2)c(F)c1 ZINC001591788542 975974398 /nfs/dbraw/zinc/97/43/98/975974398.db2.gz NLLVSFBQASJFNH-OAHLLOKOSA-N -2 3 381.425 3.223 20 0 GGADHL Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000682706108 976077698 /nfs/dbraw/zinc/07/76/98/976077698.db2.gz BRSWMGKFKHWZEA-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL CC(C)c1noc(-c2ccc([N-]S(=O)(=O)CC3(C(=O)[O-])CCCC3)cc2)n1 ZINC001592093549 976844412 /nfs/dbraw/zinc/84/44/12/976844412.db2.gz DYLVRFLHOQOABN-UHFFFAOYSA-N -2 3 393.465 3.247 20 0 GGADHL CC(C)c1sc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)nc1C(=O)[O-] ZINC001592114463 976908205 /nfs/dbraw/zinc/90/82/05/976908205.db2.gz DBDKGYHIDDFLRD-UHFFFAOYSA-N -2 3 393.371 3.337 20 0 GGADHL C[C@](CC(=O)[O-])(NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccncc1 ZINC001592302514 977651351 /nfs/dbraw/zinc/65/13/51/977651351.db2.gz AUEFSMNDODVQRZ-HSZRJFAPSA-N -2 3 390.439 3.498 20 0 GGADHL C[C@@](CC(=O)[O-])([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccnc1 ZINC001592333558 977773258 /nfs/dbraw/zinc/77/32/58/977773258.db2.gz FSXRCXMFZCGDHB-ZDUSSCGKSA-N -2 3 395.289 3.118 20 0 GGADHL C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001592444606 978104134 /nfs/dbraw/zinc/10/41/34/978104134.db2.gz OXXIDMYGXXNSAT-QMMMGPOBSA-N -2 3 396.278 3.389 20 0 GGADHL Cc1cc(C)c2cc(C(=O)[N-]c3nnc(CCCC(=O)[O-])s3)sc2n1 ZINC000738357044 978523832 /nfs/dbraw/zinc/52/38/32/978523832.db2.gz DFGCVVKMJXSNIS-UHFFFAOYSA-N -2 3 376.463 3.424 20 0 GGADHL CCCCC[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761234604 978706108 /nfs/dbraw/zinc/70/61/08/978706108.db2.gz NCIJLTLKXGCHIB-QMMMGPOBSA-N -2 3 384.317 3.456 20 0 GGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC1CCCC1 ZINC000776554260 978753056 /nfs/dbraw/zinc/75/30/56/978753056.db2.gz CPCMFUGOGVZAED-NSHDSACASA-N -2 3 397.390 3.404 20 0 GGADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CC1 ZINC000785725038 978794768 /nfs/dbraw/zinc/79/47/68/978794768.db2.gz KZHZCFHJZABKJY-RKDXNWHRSA-N -2 3 396.328 3.456 20 0 GGADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1 ZINC000793368765 978805089 /nfs/dbraw/zinc/80/50/89/978805089.db2.gz VDTZOMWRGUPAPF-UHFFFAOYSA-N -2 3 396.396 3.202 20 0 GGADHL C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)[C@H]1C ZINC000794919568 978828972 /nfs/dbraw/zinc/82/89/72/978828972.db2.gz OGHUJSHJFZOQAI-UTLUCORTSA-N -2 3 394.287 3.091 20 0 GGADHL C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)[C@@H]1C ZINC000794919567 978829156 /nfs/dbraw/zinc/82/91/56/978829156.db2.gz OGHUJSHJFZOQAI-OPRDCNLKSA-N -2 3 394.287 3.091 20 0 GGADHL COc1ccc2cc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)ccc2c1 ZINC000795365222 978831667 /nfs/dbraw/zinc/83/16/67/978831667.db2.gz AUGZXQKMCJZXHK-UHFFFAOYSA-N -2 3 387.413 3.113 20 0 GGADHL O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1nnc2ccccc2c1[O-] ZINC000836753029 979258459 /nfs/dbraw/zinc/25/84/59/979258459.db2.gz BDWKWGOUCVDOCG-KBXCAEBGSA-N -2 3 391.427 3.029 20 0 GGADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001595057064 979295324 /nfs/dbraw/zinc/29/53/24/979295324.db2.gz OXMSNWZPKDJBEY-UHFFFAOYSA-N -2 3 387.351 3.036 20 0 GGADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)CC(F)F ZINC000843288049 979334407 /nfs/dbraw/zinc/33/44/07/979334407.db2.gz JPWISUSXFDLAME-LURJTMIESA-N -2 3 376.208 3.261 20 0 GGADHL CCC(CC)([N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)C(=O)[O-] ZINC001595101502 979408847 /nfs/dbraw/zinc/40/88/47/979408847.db2.gz RBMOHIHCOJYLSX-UHFFFAOYSA-N -2 3 398.706 3.333 20 0 GGADHL C[C@H](COc1ccc(C(C)(C)C)cc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001592780975 979412887 /nfs/dbraw/zinc/41/28/87/979412887.db2.gz RBAHGCQUJBUGIH-GFCCVEGCSA-N -2 3 381.450 3.021 20 0 GGADHL CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595129719 979537796 /nfs/dbraw/zinc/53/77/96/979537796.db2.gz PJKRMOQPOVBAHE-ZDUSSCGKSA-N -2 3 383.416 3.353 20 0 GGADHL C[C@@H](Cc1c(Cl)cccc1Cl)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001592832139 979562591 /nfs/dbraw/zinc/56/25/91/979562591.db2.gz LWHHXKALYPUFGR-QMMMGPOBSA-N -2 3 378.233 3.194 20 0 GGADHL C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001592902896 979830168 /nfs/dbraw/zinc/83/01/68/979830168.db2.gz QJGCFMCJMNBCIA-QMMMGPOBSA-N -2 3 377.846 3.148 20 0 GGADHL C[C@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001592990585 980180752 /nfs/dbraw/zinc/18/07/52/980180752.db2.gz RDAUMLPVPRJLCJ-JTQLQIEISA-N -2 3 385.313 3.397 20 0 GGADHL C[C@@](NC(=O)Cc1ccc([O-])c(F)c1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593040074 980322513 /nfs/dbraw/zinc/32/25/13/980322513.db2.gz LWYXVEVNIQUSSE-KRWDZBQOSA-N -2 3 386.206 3.497 20 0 GGADHL CC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1cccc2ccccc21 ZINC001595316872 980486858 /nfs/dbraw/zinc/48/68/58/980486858.db2.gz MLFKAVMKTYBDMV-CQSZACIVSA-N -2 3 376.459 3.424 20 0 GGADHL CC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)[C@H]1CC1(C)C ZINC001595317530 980493985 /nfs/dbraw/zinc/49/39/85/980493985.db2.gz YKLWSRYBOYWQSX-VXNVDRBHSA-N -2 3 396.328 3.312 20 0 GGADHL CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001594796712 981880819 /nfs/dbraw/zinc/88/08/19/981880819.db2.gz JBRDNDGDQKWMFV-QMMMGPOBSA-N -2 3 396.278 3.389 20 0 GGADHL CCCC[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC001595635054 981897832 /nfs/dbraw/zinc/89/78/32/981897832.db2.gz VDGJWYWTRZGWRN-RTBURBONSA-N -2 3 398.459 3.013 20 0 GGADHL CC[C@](C)(CC(=O)[O-])NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001594817308 981955715 /nfs/dbraw/zinc/95/57/15/981955715.db2.gz NWWNNTPGGSVFNK-PGRDOPGGSA-N -2 3 398.459 3.013 20 0 GGADHL CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001594934533 982579516 /nfs/dbraw/zinc/57/95/16/982579516.db2.gz KYBCCHAUKKEBAL-IUCAKERBSA-N -2 3 396.278 3.389 20 0 GGADHL CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001594934537 982579639 /nfs/dbraw/zinc/57/96/39/982579639.db2.gz LGSZPKURCREPHI-HTQZYQBOSA-N -2 3 384.317 3.312 20 0 GGADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC001594952168 982664591 /nfs/dbraw/zinc/66/45/91/982664591.db2.gz CADGUCGRNXOFPG-LDYMZIIASA-N -2 3 398.706 3.270 20 0 GGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1F ZINC001595966429 983172296 /nfs/dbraw/zinc/17/22/96/983172296.db2.gz KKAVWBUMILRIRN-UHFFFAOYSA-N -2 3 383.397 3.122 20 0 GGADHL C=Cc1ccc(CC[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)cc1 ZINC001588922144 984581034 /nfs/dbraw/zinc/58/10/34/984581034.db2.gz UGKVSIOLTFANIU-UHFFFAOYSA-N -2 3 383.828 3.341 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C1CCCC1 ZINC001599902839 984872324 /nfs/dbraw/zinc/87/23/24/984872324.db2.gz QMOOYGUXJPJLHW-ZETCQYMHSA-N -2 3 382.301 3.066 20 0 GGADHL CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(C(=O)[O-])ccc3Cl)nc21 ZINC001596731209 984999770 /nfs/dbraw/zinc/99/97/70/984999770.db2.gz ZTLGPNNBGQLIEW-UHFFFAOYSA-N -2 3 387.779 3.344 20 0 GGADHL Cc1[nH]c(C(=O)[C@H](C)OC(=O)CCCc2ccc([O-])c(F)c2)c(C)c1C(=O)[O-] ZINC001599943218 985481890 /nfs/dbraw/zinc/48/18/90/985481890.db2.gz INQZXTNNXUNXHP-LBPRGKRZSA-N -2 3 391.395 3.312 20 0 GGADHL CCOc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F ZINC001597069527 986591405 /nfs/dbraw/zinc/59/14/05/986591405.db2.gz WHICLWWGBXWWIE-ZDUSSCGKSA-N -2 3 397.415 3.429 20 0 GGADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(Cl)c(F)c(C(=O)[O-])c3)ccc2O1 ZINC001594618790 986642288 /nfs/dbraw/zinc/64/22/88/986642288.db2.gz JJNZNELBWQTAFH-MRVPVSSYSA-N -2 3 385.800 3.302 20 0 GGADHL C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC001589461916 986913865 /nfs/dbraw/zinc/91/38/65/986913865.db2.gz IOHBSQUDAGUNFS-BMIGLBTASA-N -2 3 378.222 3.347 20 0 GGADHL C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccccc1 ZINC001589470057 986951879 /nfs/dbraw/zinc/95/18/79/986951879.db2.gz VHLGORSZMHKTIB-BDJLRTHQSA-N -2 3 384.819 3.373 20 0 GGADHL C[C@@H](C(=O)[O-])[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccccc1 ZINC001589470058 986952146 /nfs/dbraw/zinc/95/21/46/986952146.db2.gz VHLGORSZMHKTIB-BZNIZROVSA-N -2 3 384.819 3.373 20 0 GGADHL CSC1CCC(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)CC1 ZINC001599786738 987934987 /nfs/dbraw/zinc/93/49/87/987934987.db2.gz SOMLIQLIXLDIFR-UHFFFAOYSA-N -2 3 395.905 3.377 20 0 GGADHL CCc1cc2c(CN3CCOc4cc(C(=O)[O-])ccc4C3)cc(=O)oc2cc1[O-] ZINC001597489048 988005865 /nfs/dbraw/zinc/00/58/65/988005865.db2.gz VVYBSCWLNAFXOR-UHFFFAOYSA-N -2 3 395.411 3.154 20 0 GGADHL CCc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001597508155 988084132 /nfs/dbraw/zinc/08/41/32/988084132.db2.gz DKKBAVVVITXSNJ-UHFFFAOYSA-N -2 3 397.443 3.482 20 0 GGADHL CCc1ccc([O-])c(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)c1 ZINC001597555927 988284309 /nfs/dbraw/zinc/28/43/09/988284309.db2.gz CQVNLGIVCXYECQ-GOSISDBHSA-N -2 3 396.443 3.286 20 0 GGADHL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(OCCOC)c(C)c1 ZINC001597578956 988376515 /nfs/dbraw/zinc/37/65/15/988376515.db2.gz NHHOIDQBPINTQD-UHFFFAOYSA-N -2 3 393.461 3.082 20 0 GGADHL CSc1ccc(NC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1C(=O)[O-] ZINC001599818071 988462424 /nfs/dbraw/zinc/46/24/24/988462424.db2.gz MNSKGEZOCVXQBR-ZCFIWIBFSA-N -2 3 389.359 3.126 20 0 GGADHL CSc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2Br)c1 ZINC001599820369 988502994 /nfs/dbraw/zinc/50/29/94/988502994.db2.gz WFQUHDAOXGISSM-CQSZACIVSA-N -2 3 396.262 3.432 20 0 GGADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)F ZINC001597779579 989272719 /nfs/dbraw/zinc/27/27/19/989272719.db2.gz FDFBYRKPUXUSET-LBPRGKRZSA-N -2 3 387.404 3.085 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N(CC(=O)[O-])c2ccccc2)s1 ZINC001590320113 989759944 /nfs/dbraw/zinc/75/99/44/989759944.db2.gz WAUJEMRXCORPJK-UHFFFAOYSA-N -2 3 377.422 3.222 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)[C@@H]1CCCCO1 ZINC001590766499 990571520 /nfs/dbraw/zinc/57/15/20/990571520.db2.gz WCZCNPQCMSQVIK-ZDUSSCGKSA-N -2 3 393.864 3.051 20 0 GGADHL CC(C)C(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC001590927740 990936850 /nfs/dbraw/zinc/93/68/50/990936850.db2.gz JWNFXBUMPJCWPM-INIZCTEOSA-N -2 3 395.864 3.283 20 0 GGADHL CC(C)C1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2Br)CC1 ZINC001591060547 991488219 /nfs/dbraw/zinc/48/82/19/991488219.db2.gz MRVYDCSWDYCQLW-UHFFFAOYSA-N -2 3 394.262 3.001 20 0 GGADHL COc1cn(-c2ccccc2)nc1C(=O)[N-]c1cccnc1SCCC(=O)[O-] ZINC001599723830 991583429 /nfs/dbraw/zinc/58/34/29/991583429.db2.gz UMBPWYTXASNVQR-UHFFFAOYSA-N -2 3 398.444 3.095 20 0 GGADHL CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC001591089359 991632854 /nfs/dbraw/zinc/63/28/54/991632854.db2.gz WMJNDWJUTKKAAP-ZJUUUORDSA-N -2 3 394.287 3.233 20 0 GGADHL CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCO1 ZINC001591204970 992026438 /nfs/dbraw/zinc/02/64/38/992026438.db2.gz DMPUQLSNEGASLC-QWRGUYRKSA-N -2 3 393.864 3.049 20 0 GGADHL CC(C)CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc(Cl)cc1 ZINC001591221352 992086248 /nfs/dbraw/zinc/08/62/48/992086248.db2.gz IJXMVIWLRJCMTD-ZDUSSCGKSA-N -2 3 386.857 3.482 20 0 GGADHL CC(C)CSCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001591416202 992496568 /nfs/dbraw/zinc/49/65/68/992496568.db2.gz SEBKVKUBBFAVHQ-UHFFFAOYSA-N -2 3 383.894 3.235 20 0 GGADHL CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C(C)(C)C(=O)[O-] ZINC001598536788 992849688 /nfs/dbraw/zinc/84/96/88/992849688.db2.gz GWOJMIYZWZMAFP-UHFFFAOYSA-N -2 3 375.425 3.086 20 0 GGADHL CN(Cc1nnc(-c2ccccc2[O-])o1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598539357 992882180 /nfs/dbraw/zinc/88/21/80/992882180.db2.gz FTKBINSADSMVKI-MRXNPFEDSA-N -2 3 393.321 3.117 20 0 GGADHL CN(Cc1nnc(-c2ccccc2[O-])o1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598539356 992882253 /nfs/dbraw/zinc/88/22/53/992882253.db2.gz FTKBINSADSMVKI-INIZCTEOSA-N -2 3 393.321 3.117 20 0 GGADHL C[C@@](NC(=O)c1cc2c(cc1[O-])OCO2)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593154268 993960960 /nfs/dbraw/zinc/96/09/60/993960960.db2.gz AHPAMMJCZQHBAQ-KRWDZBQOSA-N -2 3 398.198 3.158 20 0 GGADHL C[C@](NC(=O)c1cc2c(cc1[O-])OCO2)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593154269 993961388 /nfs/dbraw/zinc/96/13/88/993961388.db2.gz AHPAMMJCZQHBAQ-QGZVFWFLSA-N -2 3 398.198 3.158 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(SCCC(=O)[O-])c2)c(C)c1 ZINC001599617694 994037888 /nfs/dbraw/zinc/03/78/88/994037888.db2.gz PEJDMZLTQCCZFT-UHFFFAOYSA-N -2 3 381.475 3.371 20 0 GGADHL COc1cccc(C(=O)Nc2cc(Br)cc(C(=O)[O-])c2C)c1[O-] ZINC001599642272 994376044 /nfs/dbraw/zinc/37/60/44/994376044.db2.gz ABBSKEFYARXBPK-UHFFFAOYSA-N -2 3 380.194 3.422 20 0 GGADHL COc1cccc([C@@H](C(=O)[O-])N(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)c1 ZINC001599648917 994465964 /nfs/dbraw/zinc/46/59/64/994465964.db2.gz AHZXRMZDLIWOAE-IBGZPJMESA-N -2 3 379.416 3.116 20 0 GGADHL C[C@](NCc1nc2c3ccccc3oc2c(=O)[n-]1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593312056 994793232 /nfs/dbraw/zinc/79/32/32/994793232.db2.gz NZMLCQMKFLZSRI-HXUWFJFHSA-N -2 3 381.363 3.310 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1nc(C(F)(F)F)cs1 ZINC001593326984 994884719 /nfs/dbraw/zinc/88/47/19/994884719.db2.gz RWVQWQKUDYSUDS-ZCFIWIBFSA-N -2 3 398.359 3.039 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1nc2ccccc2s1 ZINC001593333689 994906081 /nfs/dbraw/zinc/90/60/81/994906081.db2.gz FFZAHWZEFULAMZ-VIFPVBQESA-N -2 3 380.422 3.173 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001593334065 994907218 /nfs/dbraw/zinc/90/72/18/994907218.db2.gz JGBNKTFKRULFCO-ZJUUUORDSA-N -2 3 391.367 3.467 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593336896 994918503 /nfs/dbraw/zinc/91/85/03/994918503.db2.gz DJDVBZPOUVZVSE-BXUZGUMPSA-N -2 3 385.844 3.089 20 0 GGADHL COc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c1F ZINC001599679677 994958133 /nfs/dbraw/zinc/95/81/33/994958133.db2.gz AQPSEYZOJGYFGB-UHFFFAOYSA-N -2 3 393.314 3.352 20 0 GGADHL CC1(C)[C@H](C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])C1(F)F ZINC001593831359 996576184 /nfs/dbraw/zinc/57/61/84/996576184.db2.gz YNIZUVMRHOMRJI-VIFPVBQESA-N -2 3 388.219 3.261 20 0 GGADHL CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCS1 ZINC001593859822 996652061 /nfs/dbraw/zinc/65/20/61/996652061.db2.gz KKWCKDGTSKSVAT-MRVPVSSYSA-N -2 3 381.878 3.130 20 0 GGADHL COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC001599484231 996818864 /nfs/dbraw/zinc/81/88/64/996818864.db2.gz ZSAXZJDDCWTIPL-CQSZACIVSA-N -2 3 399.321 3.245 20 0 GGADHL COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)c([O-])c1 ZINC001599485302 996839087 /nfs/dbraw/zinc/83/90/87/996839087.db2.gz MJOKZJGFGIADBE-CQSZACIVSA-N -2 3 394.221 3.109 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2N)cc1C(C)C ZINC001599393032 997073832 /nfs/dbraw/zinc/07/38/32/997073832.db2.gz FBIHQBLKDGAUIT-UHFFFAOYSA-N -2 3 378.450 3.208 20 0 GGADHL COc1ccc([C@H]([N-]C(=O)C(F)(F)c2cc(Cl)ccc2OC)C(=O)[O-])cc1 ZINC001599521589 997489765 /nfs/dbraw/zinc/48/97/65/997489765.db2.gz WTSNWVYEJDBILJ-HNNXBMFYSA-N -2 3 399.777 3.391 20 0 GGADHL C[C@]1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCCC[C@H]1C(=O)[O-] ZINC001594062176 997859097 /nfs/dbraw/zinc/85/90/97/997859097.db2.gz UOLWWFXCBJEEIH-HZMBPMFUSA-N -2 3 383.363 3.156 20 0 GGADHL C[C@@]1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCCC[C@H]1C(=O)[O-] ZINC001594062178 997859271 /nfs/dbraw/zinc/85/92/71/997859271.db2.gz UOLWWFXCBJEEIH-IINYFYTJSA-N -2 3 383.363 3.156 20 0 GGADHL C[C@]1([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCCC[C@H]1C(=O)[O-] ZINC001594066045 997876445 /nfs/dbraw/zinc/87/64/45/997876445.db2.gz NFZXHKONYGELSA-XPTSAGLGSA-N -2 3 399.362 3.036 20 0 GGADHL COc1cc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])cc(OC)c1[O-] ZINC001599353668 998140177 /nfs/dbraw/zinc/14/01/77/998140177.db2.gz JPWQFJOTDPNDQJ-UHFFFAOYSA-N -2 3 387.413 3.252 20 0 GGADHL COc1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)ccc1C(=O)[O-] ZINC001599458990 998238246 /nfs/dbraw/zinc/23/82/46/998238246.db2.gz AZEYDEJQFRMZPL-UHFFFAOYSA-N -2 3 382.413 3.154 20 0 GGADHL COc1cc(C(=O)[O-])cc(NC(=O)c2cc([O-])cc(Br)c2)c1OC ZINC001599362358 998281401 /nfs/dbraw/zinc/28/14/01/998281401.db2.gz JAUMGOOMBMYEER-UHFFFAOYSA-N -2 3 396.193 3.122 20 0 GGADHL COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1c(F)ccc([O-])c1F)CC2 ZINC001599463703 998320456 /nfs/dbraw/zinc/32/04/56/998320456.db2.gz KSHZHSLZUNWEKB-HNNXBMFYSA-N -2 3 393.386 3.262 20 0 GGADHL COc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2cccc(Br)c2)c([O-])c1 ZINC001599478806 998575830 /nfs/dbraw/zinc/57/58/30/998575830.db2.gz BALIWSBEMRXQNA-HNNXBMFYSA-N -2 3 394.221 3.061 20 0 GGADHL C[C@@H]1CC(CC[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)C[C@@H](C)O1 ZINC001594235372 998895159 /nfs/dbraw/zinc/89/51/59/998895159.db2.gz GHKDIEOJKOSEJA-NXEZZACHSA-N -2 3 393.864 3.049 20 0 GGADHL C[C@H]1CC[C@@](NCc2nnc(-c3ccccc3[O-])o2)(C(=O)[O-])c2ccccc21 ZINC001594319603 999228771 /nfs/dbraw/zinc/22/87/71/999228771.db2.gz GRUYKYLTGWSSIM-ZSEKCTLFSA-N -2 3 379.416 3.409 20 0 GGADHL C[C@@H]1CC[C@]([N-]S(=O)(=O)c2c(F)cccc2F)(C(=O)[O-])c2ccccc21 ZINC001594326939 999257001 /nfs/dbraw/zinc/25/70/01/999257001.db2.gz QYGQFHUEGQGWPW-ADLMAVQZSA-N -2 3 381.400 3.121 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)[C@@H]1CCC[C@H](C)C1 ZINC001594356026 999343453 /nfs/dbraw/zinc/34/34/53/999343453.db2.gz PUEKWICOPKSLSW-LPEHRKFASA-N -2 3 394.287 3.233 20 0 GGADHL C[C@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001594363508 999372149 /nfs/dbraw/zinc/37/21/49/999372149.db2.gz FWJIKEMWGXHJPO-UWVGGRQHSA-N -2 3 394.287 3.235 20 0 GGADHL C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001594372296 999406055 /nfs/dbraw/zinc/40/60/55/999406055.db2.gz UJOOSZAZVGQOIO-GXFFZTMASA-N -2 3 393.864 3.051 20 0 GGADHL C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001594372295 999406081 /nfs/dbraw/zinc/40/60/81/999406081.db2.gz UJOOSZAZVGQOIO-GWCFXTLKSA-N -2 3 393.864 3.051 20 0 GGADHL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2Cl)c1OC ZINC000005981787 204160011 /nfs/dbraw/zinc/16/00/11/204160011.db2.gz SPTKVKMXVHFIIC-FPLPWBNLSA-N -2 3 397.836 3.256 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000036391778 204320777 /nfs/dbraw/zinc/32/07/77/204320777.db2.gz KDZLPQXGLCUYDL-UHFFFAOYSA-N -2 3 377.752 3.440 20 0 GGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000115729852 564198363 /nfs/dbraw/zinc/19/83/63/564198363.db2.gz XQTZNXKSBPYQQZ-IUCAKERBSA-N -2 3 384.317 3.068 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000007708342 564240022 /nfs/dbraw/zinc/24/00/22/564240022.db2.gz CKXMLUVTPBUSKE-UHFFFAOYSA-N -2 3 375.324 3.393 20 0 GGADHL CCCCOCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000007787329 564240661 /nfs/dbraw/zinc/24/06/61/564240661.db2.gz CCWBRCDOCYMCTD-UHFFFAOYSA-N -2 3 384.281 3.177 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)ccc1Br ZINC000012771826 564270323 /nfs/dbraw/zinc/27/03/23/564270323.db2.gz MKQOUPRWLMUKNE-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1Br ZINC000120324946 564316060 /nfs/dbraw/zinc/31/60/60/564316060.db2.gz CUGSFMKEEXLKCI-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1sc(Br)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000122153753 564402266 /nfs/dbraw/zinc/40/22/66/564402266.db2.gz MYIJQXWEORSPMW-UHFFFAOYSA-N -2 3 394.243 3.457 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1 ZINC000042004795 564440227 /nfs/dbraw/zinc/44/02/27/564440227.db2.gz DVSRMDHLNYNDRX-UHFFFAOYSA-N -2 3 376.217 3.258 20 0 GGADHL CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000042792783 564450818 /nfs/dbraw/zinc/45/08/18/564450818.db2.gz FWSIUBQUUFYDIJ-UHFFFAOYSA-N -2 3 382.825 3.188 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])sc1Br ZINC000123583402 564454359 /nfs/dbraw/zinc/45/43/59/564454359.db2.gz FETVMMFAEINNRM-PSASIEDQSA-N -2 3 398.344 3.377 20 0 GGADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1F ZINC000123772614 564461320 /nfs/dbraw/zinc/46/13/20/564461320.db2.gz MOBSLJSWQUYOFM-UHFFFAOYSA-N -2 3 392.861 3.042 20 0 GGADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1F ZINC000123776614 564461332 /nfs/dbraw/zinc/46/13/32/564461332.db2.gz OLGBMIVSZNZZGG-UHFFFAOYSA-N -2 3 392.861 3.042 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000047949092 564529112 /nfs/dbraw/zinc/52/91/12/564529112.db2.gz SHJQILQZDWVXHK-UHFFFAOYSA-N -2 3 375.324 3.213 20 0 GGADHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000129336986 564646194 /nfs/dbraw/zinc/64/61/94/564646194.db2.gz OYOZZBCIVLFYKN-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC(C)c1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cc1 ZINC000057115751 564659916 /nfs/dbraw/zinc/65/99/16/564659916.db2.gz DWLXYVWRAQONJO-UHFFFAOYSA-N -2 3 386.470 3.121 20 0 GGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cc1 ZINC000130495042 564683945 /nfs/dbraw/zinc/68/39/45/564683945.db2.gz YBMUUAAZQGUTBN-UHFFFAOYSA-N -2 3 388.214 3.016 20 0 GGADHL CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000131513625 564715049 /nfs/dbraw/zinc/71/50/49/564715049.db2.gz BNJLMKRNJKBAEQ-UHFFFAOYSA-N -2 3 389.246 3.161 20 0 GGADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000131887098 564727381 /nfs/dbraw/zinc/72/73/81/564727381.db2.gz ORFKHUJTYGGSFP-MRVPVSSYSA-N -2 3 384.679 3.024 20 0 GGADHL Cc1ccc(-c2ccsc2C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)cc1 ZINC000492147313 564798640 /nfs/dbraw/zinc/79/86/40/564798640.db2.gz AHDDKWXVFPVJOU-UHFFFAOYSA-N -2 3 394.503 3.199 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)cc1C(=O)[O-] ZINC000067899551 564802808 /nfs/dbraw/zinc/80/28/08/564802808.db2.gz HUAFCLQAJCCIMH-UHFFFAOYSA-N -2 3 381.475 3.100 20 0 GGADHL CCCCCc1nnc([N-]C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)s1 ZINC000068208758 564812137 /nfs/dbraw/zinc/81/21/37/564812137.db2.gz RCENPDOXTLTAIY-UHFFFAOYSA-N -2 3 386.474 3.034 20 0 GGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2Br)c1 ZINC000089568911 564870692 /nfs/dbraw/zinc/87/06/92/564870692.db2.gz AOPNPNIOOQPFJW-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)o1 ZINC000292003315 565091269 /nfs/dbraw/zinc/09/12/69/565091269.db2.gz XUPNNLDUGCWYLC-UHFFFAOYSA-N -2 3 386.857 3.074 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000184897862 565163752 /nfs/dbraw/zinc/16/37/52/565163752.db2.gz MULQSCOWRCSSEZ-UWVGGRQHSA-N -2 3 385.791 3.438 20 0 GGADHL CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000185005561 565170752 /nfs/dbraw/zinc/17/07/52/565170752.db2.gz KISCMNZZZIMRDL-UHFFFAOYSA-N -2 3 388.898 3.271 20 0 GGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)c1nc(C)cs1 ZINC000185008801 565171984 /nfs/dbraw/zinc/17/19/84/565171984.db2.gz KSSVZPHKZULTHB-LLVKDONJSA-N -2 3 392.861 3.372 20 0 GGADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)CCCC2)n1 ZINC000185025151 565172748 /nfs/dbraw/zinc/17/27/48/565172748.db2.gz YDMUEGXTPBCFIO-UHFFFAOYSA-N -2 3 384.454 3.037 20 0 GGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)C2CC2)n1 ZINC000185065450 565174954 /nfs/dbraw/zinc/17/49/54/565174954.db2.gz QGGGDEDUELRAGC-CQSZACIVSA-N -2 3 384.454 3.027 20 0 GGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)C2CC2)n1 ZINC000185063270 565175097 /nfs/dbraw/zinc/17/50/97/565175097.db2.gz PFWJXKIUCPMJQT-HNNXBMFYSA-N -2 3 380.491 3.196 20 0 GGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)C2CC2)n1 ZINC000185065199 565175234 /nfs/dbraw/zinc/17/52/34/565175234.db2.gz NWROAJDMNQWGAT-HNNXBMFYSA-N -2 3 380.491 3.196 20 0 GGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)C2CC2)n1 ZINC000185065320 565175622 /nfs/dbraw/zinc/17/56/22/565175622.db2.gz NPYCXPMZNFEEIZ-OAHLLOKOSA-N -2 3 380.491 3.196 20 0 GGADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)C2CC2)s1 ZINC000185066715 565176626 /nfs/dbraw/zinc/17/66/26/565176626.db2.gz LWODRHYQMLFOLI-CYBMUJFWSA-N -2 3 386.882 3.233 20 0 GGADHL O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000159230045 565197739 /nfs/dbraw/zinc/19/77/39/565197739.db2.gz XDOXHAASBYGNNH-UHFFFAOYSA-N -2 3 395.289 3.068 20 0 GGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)cc(Br)c2)ccc1[O-] ZINC000185976534 565232175 /nfs/dbraw/zinc/23/21/75/565232175.db2.gz KDPFYBQGCBBAHL-UHFFFAOYSA-N -2 3 399.266 3.222 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000185987340 565233253 /nfs/dbraw/zinc/23/32/53/565233253.db2.gz COKUWVAXUDBFMQ-NSHDSACASA-N -2 3 379.381 3.071 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)sc1C(=O)[O-] ZINC000185987209 565234032 /nfs/dbraw/zinc/23/40/32/565234032.db2.gz YITNMJPWUVUKCU-NSHDSACASA-N -2 3 393.408 3.379 20 0 GGADHL CC(C)Sc1nc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)n[n-]1 ZINC000163399599 565345485 /nfs/dbraw/zinc/34/54/85/565345485.db2.gz LICUJECFVSVMDV-UHFFFAOYSA-N -2 3 380.417 3.266 20 0 GGADHL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000170847215 565396249 /nfs/dbraw/zinc/39/62/49/565396249.db2.gz TZLLLNAQPKALBO-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000276910401 565466549 /nfs/dbraw/zinc/46/65/49/565466549.db2.gz NEWGDPWSQAIDIT-UHFFFAOYSA-N -2 3 384.679 3.026 20 0 GGADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000172897080 565510385 /nfs/dbraw/zinc/51/03/85/565510385.db2.gz DRFCSZHMNFZEJO-UHFFFAOYSA-N -2 3 388.898 3.129 20 0 GGADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000172897160 565510607 /nfs/dbraw/zinc/51/06/07/565510607.db2.gz XSQPBGGWPLZEAI-UHFFFAOYSA-N -2 3 382.507 3.093 20 0 GGADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000172897067 565510827 /nfs/dbraw/zinc/51/08/27/565510827.db2.gz DMOYXUZDKJSGGC-UHFFFAOYSA-N -2 3 388.898 3.129 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000387028529 565548915 /nfs/dbraw/zinc/54/89/15/565548915.db2.gz DUNCPHKFXFKHNR-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000388223535 565550867 /nfs/dbraw/zinc/55/08/67/565550867.db2.gz XFGVKXSTTADYTH-VHSXEESVSA-N -2 3 396.278 3.146 20 0 GGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000388223533 565550964 /nfs/dbraw/zinc/55/09/64/565550964.db2.gz XFGVKXSTTADYTH-UWVGGRQHSA-N -2 3 396.278 3.146 20 0 GGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000389219497 565553747 /nfs/dbraw/zinc/55/37/47/565553747.db2.gz DYMQZROTFYAXBU-VHSXEESVSA-N -2 3 396.278 3.146 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2Br)ccc1C(=O)[O-] ZINC000390158520 565556079 /nfs/dbraw/zinc/55/60/79/565556079.db2.gz YZUUFOGDCAZINP-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1F ZINC000390679455 565558080 /nfs/dbraw/zinc/55/80/80/565558080.db2.gz SUUGFURFGLXORV-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCC1 ZINC000391681780 565562006 /nfs/dbraw/zinc/56/20/06/565562006.db2.gz RMHKBINJFCEFOS-UHFFFAOYSA-N -2 3 385.791 3.282 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1C(=O)[O-] ZINC000392716950 565565246 /nfs/dbraw/zinc/56/52/46/565565246.db2.gz OBQTUKGDBIXLAZ-UHFFFAOYSA-N -2 3 375.324 3.393 20 0 GGADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000399480680 565579301 /nfs/dbraw/zinc/57/93/01/565579301.db2.gz XOGZFIGSRWSMEG-UFBFGSQYSA-N -2 3 398.706 3.126 20 0 GGADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000399480677 565579314 /nfs/dbraw/zinc/57/93/14/565579314.db2.gz XOGZFIGSRWSMEG-PELKAZGASA-N -2 3 398.706 3.126 20 0 GGADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Br ZINC000315991797 565591667 /nfs/dbraw/zinc/59/16/67/565591667.db2.gz PRGHPTDLHUYIOO-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(F)cc1Br)CCC(=O)[O-] ZINC000316176873 565591707 /nfs/dbraw/zinc/59/17/07/565591707.db2.gz YHLSIOGCSPWUEK-UHFFFAOYSA-N -2 3 396.278 3.148 20 0 GGADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000317082062 565593926 /nfs/dbraw/zinc/59/39/26/565593926.db2.gz AKGKJKGZPAOKML-SNVBAGLBSA-N -2 3 396.278 3.146 20 0 GGADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000317082060 565594235 /nfs/dbraw/zinc/59/42/35/565594235.db2.gz AKGKJKGZPAOKML-JTQLQIEISA-N -2 3 396.278 3.146 20 0 GGADHL O=C([O-])Cc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000317219337 565594306 /nfs/dbraw/zinc/59/43/06/565594306.db2.gz KWOSPCKKCYTOSN-UHFFFAOYSA-N -2 3 380.274 3.161 20 0 GGADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000318456944 565595107 /nfs/dbraw/zinc/59/51/07/565595107.db2.gz VXPRGOSUJQCVQA-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000318469539 565596441 /nfs/dbraw/zinc/59/64/41/565596441.db2.gz XUSUJHZXNJJDGZ-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000318818926 565597154 /nfs/dbraw/zinc/59/71/54/565597154.db2.gz ZFONOSUFQXJDCD-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1F ZINC000318974435 565598289 /nfs/dbraw/zinc/59/82/89/565598289.db2.gz FHFKWGGEEHIJTF-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)c1 ZINC000322773353 565610848 /nfs/dbraw/zinc/61/08/48/565610848.db2.gz GKMISWAWWYCUMX-UHFFFAOYSA-N -2 3 398.234 3.151 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1Cl ZINC000323199485 565613191 /nfs/dbraw/zinc/61/31/91/565613191.db2.gz KCXSGLOOAOUTRZ-CYBMUJFWSA-N -2 3 378.208 3.237 20 0 GGADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000323769939 565615055 /nfs/dbraw/zinc/61/50/55/565615055.db2.gz ZADCPRYPQYPEGL-ZETCQYMHSA-N -2 3 394.198 3.315 20 0 GGADHL CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000324800851 565619018 /nfs/dbraw/zinc/61/90/18/565619018.db2.gz MXIYIQQFQXGSDC-UHFFFAOYSA-N -2 3 388.854 3.249 20 0 GGADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)Cc1cccs1 ZINC000324905237 565619952 /nfs/dbraw/zinc/61/99/52/565619952.db2.gz QQHCVHNGHCWZCP-VIFPVBQESA-N -2 3 389.882 3.018 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000325413005 565621262 /nfs/dbraw/zinc/62/12/62/565621262.db2.gz UAIJNQSUNYVXLT-SECBINFHSA-N -2 3 387.807 3.384 20 0 GGADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000326608833 565625217 /nfs/dbraw/zinc/62/52/17/565625217.db2.gz NYSVUZATIVMNNQ-MRVPVSSYSA-N -2 3 399.696 3.043 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1OC ZINC000326798336 565626423 /nfs/dbraw/zinc/62/64/23/565626423.db2.gz RVFSXIGFBUIQMC-UHFFFAOYSA-N -2 3 385.825 3.165 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000327432949 565630255 /nfs/dbraw/zinc/63/02/55/565630255.db2.gz OYFBFHKBARKGMJ-UHFFFAOYSA-N -2 3 375.324 3.393 20 0 GGADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1Cl ZINC000327675779 565632136 /nfs/dbraw/zinc/63/21/36/565632136.db2.gz BFTOYPBITRCVKR-UHFFFAOYSA-N -2 3 382.825 3.106 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1F ZINC000327877368 565633743 /nfs/dbraw/zinc/63/37/43/565633743.db2.gz BRKYBLDATRGOBQ-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cc2sc(N3CCCC3)nc2s1 ZINC000280527659 565677910 /nfs/dbraw/zinc/67/79/10/565677910.db2.gz IEVXXFLAIUDJFH-UHFFFAOYSA-N -2 3 388.400 3.347 20 0 GGADHL CS(=O)(=O)[N-]c1cc(NC(=O)c2c([O-])cc(Cl)cc2Cl)ccc1F ZINC000175188850 565684021 /nfs/dbraw/zinc/68/40/21/565684021.db2.gz CMJBLKIHFLFEGO-UHFFFAOYSA-N -2 3 393.223 3.462 20 0 GGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000193462917 565753875 /nfs/dbraw/zinc/75/38/75/565753875.db2.gz NTTSKOQKWVONCP-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000282106597 565764634 /nfs/dbraw/zinc/76/46/34/565764634.db2.gz YLIQYSGERQOBRS-MRVPVSSYSA-N -2 3 384.679 3.024 20 0 GGADHL O=c1cc(CSc2n[n-]c(=NCCc3cccs3)s2)nc(C2CC2)[n-]1 ZINC000412992169 565828715 /nfs/dbraw/zinc/82/87/15/565828715.db2.gz STYNYXCUTFULFD-UHFFFAOYSA-N -2 3 391.547 3.341 20 0 GGADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000285004368 565882234 /nfs/dbraw/zinc/88/22/34/565882234.db2.gz HCXDBKBSVWNYTA-SSDOTTSWSA-N -2 3 394.198 3.315 20 0 GGADHL COc1cc(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)c(Cl)cc1C(=O)[O-] ZINC000414333898 565912172 /nfs/dbraw/zinc/91/21/72/565912172.db2.gz WRUCIEVVTCIQAT-SECBINFHSA-N -2 3 397.827 3.151 20 0 GGADHL Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)c([O-])c1 ZINC000237600413 565965432 /nfs/dbraw/zinc/96/54/32/565965432.db2.gz FQQRMYVGXBZYEB-AWEZNQCLSA-N -2 3 378.222 3.409 20 0 GGADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000261642382 566127578 /nfs/dbraw/zinc/12/75/78/566127578.db2.gz FBEXQZOZJYMBOA-UHFFFAOYSA-N -2 3 385.791 3.281 20 0 GGADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000261881188 566139173 /nfs/dbraw/zinc/13/91/73/566139173.db2.gz MPBBRRGJMWMRMA-UHFFFAOYSA-N -2 3 385.791 3.281 20 0 GGADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000262455365 566152979 /nfs/dbraw/zinc/15/29/79/566152979.db2.gz HMVWHLAJJNAOPG-UHFFFAOYSA-N -2 3 396.690 3.024 20 0 GGADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000183099455 566238122 /nfs/dbraw/zinc/23/81/22/566238122.db2.gz GUBFOMJSDVZYQI-UHFFFAOYSA-N -2 3 394.193 3.242 20 0 GGADHL O=C(NCc1ccc([O-])c(Br)c1)c1cc(F)c(F)c([O-])c1F ZINC000183334491 566244111 /nfs/dbraw/zinc/24/41/11/566244111.db2.gz OOUZCZFSAYWRMU-UHFFFAOYSA-N -2 3 376.128 3.208 20 0 GGADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000575225268 566262605 /nfs/dbraw/zinc/26/26/05/566262605.db2.gz IFBSJZYIWDRZLL-ZETCQYMHSA-N -2 3 399.696 3.043 20 0 GGADHL O=C([O-])[C@@H](Cc1ccc(Cl)c(Cl)c1)[N-]S(=O)(=O)c1ccccc1F ZINC000555955115 566263384 /nfs/dbraw/zinc/26/33/84/566263384.db2.gz PNSJEXYKWJPKEV-CYBMUJFWSA-N -2 3 392.235 3.107 20 0 GGADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(F)c1Cl ZINC000556303852 566283157 /nfs/dbraw/zinc/28/31/57/566283157.db2.gz ZFKPEUKNPDREOJ-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(F)c1Cl ZINC000556303852 566283162 /nfs/dbraw/zinc/28/31/62/566283162.db2.gz ZFKPEUKNPDREOJ-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000462389806 566294380 /nfs/dbraw/zinc/29/43/80/566294380.db2.gz WSIYMULIFCXNKM-JTQLQIEISA-N -2 3 384.679 3.024 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cc1F ZINC000509376686 566295943 /nfs/dbraw/zinc/29/59/43/566295943.db2.gz UAZKDBGTUAVAOC-UHFFFAOYSA-N -2 3 379.287 3.065 20 0 GGADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000462411304 566297681 /nfs/dbraw/zinc/29/76/81/566297681.db2.gz QWUMNXRKTGKTJS-NSHDSACASA-N -2 3 384.679 3.024 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1F ZINC000509396855 566298577 /nfs/dbraw/zinc/29/85/77/566298577.db2.gz OAUKKUDEUGLHSH-UHFFFAOYSA-N -2 3 375.324 3.235 20 0 GGADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)C2CC2)s1 ZINC000575993192 566305797 /nfs/dbraw/zinc/30/57/97/566305797.db2.gz XEXBGLRBOLCUPA-CQSZACIVSA-N -2 3 384.454 3.027 20 0 GGADHL Cc1ccc(Br)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000535614314 566315593 /nfs/dbraw/zinc/31/55/93/566315593.db2.gz LTZZNZYXZOHXJA-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CCN=c1[n-]c(C(=O)Nc2cc(Br)cc(Cl)c2[O-])cs1 ZINC000535656366 566317071 /nfs/dbraw/zinc/31/70/71/566317071.db2.gz PXLVGDCFUKAHQQ-UHFFFAOYSA-N -2 3 376.663 3.371 20 0 GGADHL Cc1nc(C)c(CC(=O)Nc2cc(Br)cc(Cl)c2[O-])c(=O)[n-]1 ZINC000535656720 566317096 /nfs/dbraw/zinc/31/70/96/566317096.db2.gz QVLIFTGPWWTUGA-UHFFFAOYSA-N -2 3 386.633 3.102 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1C(F)(F)F ZINC000535767292 566326763 /nfs/dbraw/zinc/32/67/63/566326763.db2.gz DRCHBQCNSCKMRW-UHFFFAOYSA-N -3 3 379.287 3.049 20 0 GGADHL CCOc1c(Br)cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OC ZINC000670369963 566356867 /nfs/dbraw/zinc/35/68/67/566356867.db2.gz NSVYKCCIGLGVPX-PLNGDYQASA-N -2 3 395.209 3.221 20 0 GGADHL COC(=O)c1ccsc1[N-]C(=O)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000446875668 566369308 /nfs/dbraw/zinc/36/93/08/566369308.db2.gz NEGDRKWGEPHHHV-UHFFFAOYSA-N -2 3 389.216 3.124 20 0 GGADHL CC(C)(C)c1nc(=NC(=O)NCc2ccc([O-])c(Br)c2)s[n-]1 ZINC000483334478 566374193 /nfs/dbraw/zinc/37/41/93/566374193.db2.gz DEYUIXLMLIUXGZ-UHFFFAOYSA-N -2 3 385.287 3.047 20 0 GGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c1 ZINC000536629625 566388302 /nfs/dbraw/zinc/38/83/02/566388302.db2.gz WHBWLRGPPKFWFU-UHFFFAOYSA-N -3 3 376.415 3.015 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cs1 ZINC000447275492 566399721 /nfs/dbraw/zinc/39/97/21/566399721.db2.gz SVULWBMEHCCHLA-UHFFFAOYSA-N -2 3 385.316 3.127 20 0 GGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)c1 ZINC000447278847 566400391 /nfs/dbraw/zinc/40/03/91/566400391.db2.gz PLVUCPOVDVEZIV-UHFFFAOYSA-N -2 3 379.287 3.065 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1csc2ccccc21)c1cc(F)ccc1F ZINC000671644710 566434249 /nfs/dbraw/zinc/43/42/49/566434249.db2.gz CXUMLLMQZFPEGE-HNNXBMFYSA-N -2 3 383.397 3.284 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1Br ZINC000484545555 566435891 /nfs/dbraw/zinc/43/58/91/566435891.db2.gz OYACKFYUCLPCMZ-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL C[C@](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)(C(=O)[O-])c1ccccc1 ZINC000650234484 566440359 /nfs/dbraw/zinc/44/03/59/566440359.db2.gz FSPGDFBINDTADW-CQSZACIVSA-N -2 3 393.408 3.088 20 0 GGADHL CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c1 ZINC000577609508 566450236 /nfs/dbraw/zinc/45/02/36/566450236.db2.gz ZWIJDUWGISCOFT-UHFFFAOYSA-N -2 3 377.857 3.444 20 0 GGADHL CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1 ZINC000577609508 566450241 /nfs/dbraw/zinc/45/02/41/566450241.db2.gz ZWIJDUWGISCOFT-UHFFFAOYSA-N -2 3 377.857 3.444 20 0 GGADHL C[C@H](CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650412980 566452787 /nfs/dbraw/zinc/45/27/87/566452787.db2.gz WNBRRMFPAIBIGR-MRVPVSSYSA-N -2 3 389.779 3.018 20 0 GGADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650413211 566453315 /nfs/dbraw/zinc/45/33/15/566453315.db2.gz VLMDYDSVCOHECA-MRVPVSSYSA-N -2 3 389.779 3.160 20 0 GGADHL Cc1nc2ccc(S(=O)(=O)[N-]c3cc(F)cc(C(=O)[O-])c3F)cc2s1 ZINC000577813434 566466860 /nfs/dbraw/zinc/46/68/60/566466860.db2.gz GVAGCLXIEIKSKA-UHFFFAOYSA-N -2 3 384.385 3.382 20 0 GGADHL CCc1[n-][nH]c(=NC(=O)c2cn[n-]c2-c2c(F)cccc2F)c1Br ZINC000448316457 566467844 /nfs/dbraw/zinc/46/78/44/566467844.db2.gz VBXBEXMQVQRNBR-UHFFFAOYSA-N -2 3 396.195 3.077 20 0 GGADHL Cn1ncc2c1nc(Sc1n[n-]c(-c3cc(Cl)cc(Cl)c3)n1)[n-]c2=O ZINC000537833098 566476110 /nfs/dbraw/zinc/47/61/10/566476110.db2.gz CXLUJDJPYXDHIU-UHFFFAOYSA-N -2 3 394.247 3.312 20 0 GGADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)cc1Cl ZINC000672775025 566504414 /nfs/dbraw/zinc/50/44/14/566504414.db2.gz LXNDNOCJAJTCQD-CYBMUJFWSA-N -2 3 397.827 3.050 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c1 ZINC000538298739 566504783 /nfs/dbraw/zinc/50/47/83/566504783.db2.gz QVWYGUFGQNDAPS-UHFFFAOYSA-N -2 3 376.356 3.176 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)c(Br)c(F)c2)c1 ZINC000538297665 566504871 /nfs/dbraw/zinc/50/48/71/566504871.db2.gz ADFLTUYHFZVJJL-UHFFFAOYSA-N -2 3 394.193 3.242 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc3sc(C)nc3cc2OC)c1 ZINC000538298756 566505702 /nfs/dbraw/zinc/50/57/02/566505702.db2.gz OJLBTYVPMFHZMM-UHFFFAOYSA-N -2 3 380.447 3.128 20 0 GGADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(F)F ZINC000578261889 566506497 /nfs/dbraw/zinc/50/64/97/566506497.db2.gz FEASRHFBLYECNP-QMMMGPOBSA-N -2 3 383.825 3.189 20 0 GGADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC000424397322 566532389 /nfs/dbraw/zinc/53/23/89/566532389.db2.gz ZKCKWANILJBESV-UHFFFAOYSA-N -2 3 388.536 3.349 20 0 GGADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000578754319 566551386 /nfs/dbraw/zinc/55/13/86/566551386.db2.gz YIKSGJUCYSKKET-QPUJVOFHSA-N -2 3 398.706 3.126 20 0 GGADHL O=C([O-])c1sc(-c2ccccc2)cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000539239711 566570829 /nfs/dbraw/zinc/57/08/29/566570829.db2.gz ZJGZIFZZPHFQGW-ZDUSSCGKSA-N -2 3 381.475 3.424 20 0 GGADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCCC1 ZINC000560416068 566623802 /nfs/dbraw/zinc/62/38/02/566623802.db2.gz XDPDLWCHAVRHQX-UHFFFAOYSA-N -2 3 385.791 3.282 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCOc2cccc(Cl)c2Cl)c1 ZINC000560488605 566632280 /nfs/dbraw/zinc/63/22/80/566632280.db2.gz GNCBPYPYPQELNW-UHFFFAOYSA-N -2 3 396.273 3.110 20 0 GGADHL COc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1[N-]S(C)(=O)=O ZINC000486950552 566638036 /nfs/dbraw/zinc/63/80/36/566638036.db2.gz LUEVAETYCAKUPS-UHFFFAOYSA-N -2 3 385.829 3.070 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)c2nc3ccccc3s2)oc1C(=O)[O-] ZINC000629334320 566646022 /nfs/dbraw/zinc/64/60/22/566646022.db2.gz IJJYPIWOLBUGSR-UHFFFAOYSA-N -2 3 380.447 3.110 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c1 ZINC000540501267 566654631 /nfs/dbraw/zinc/65/46/31/566654631.db2.gz IDQGLBJTACPFCZ-UHFFFAOYSA-N -2 3 379.825 3.041 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1 ZINC000514600820 566655689 /nfs/dbraw/zinc/65/56/89/566655689.db2.gz USUNDWUIFFOFQL-UHFFFAOYSA-N -2 3 389.882 3.019 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c1 ZINC000540501916 566656424 /nfs/dbraw/zinc/65/64/24/566656424.db2.gz XOGWZGLKIZQOTP-UHFFFAOYSA-N -2 3 376.203 3.103 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653495187 566672620 /nfs/dbraw/zinc/67/26/20/566672620.db2.gz YNNVMBYBMSRMJV-KXUCPTDWSA-N -2 3 380.293 3.407 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)sc1C(=O)[O-] ZINC000487427722 566672820 /nfs/dbraw/zinc/67/28/20/566672820.db2.gz JFZWVYKCJVGTPJ-NXEZZACHSA-N -2 3 385.429 3.402 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)cc1F ZINC000487430859 566673056 /nfs/dbraw/zinc/67/30/56/566673056.db2.gz RCIKSESKHZNPPE-BXKDBHETSA-N -2 3 383.363 3.171 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])s1 ZINC000515575078 566722394 /nfs/dbraw/zinc/72/23/94/566722394.db2.gz ZJINQCYMUOPHMT-GXFFZTMASA-N -2 3 396.328 3.131 20 0 GGADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(C)c2)c(F)c1 ZINC000450963337 566725551 /nfs/dbraw/zinc/72/55/51/566725551.db2.gz XLVURSSYUFEKBT-UHFFFAOYSA-N -2 3 386.470 3.087 20 0 GGADHL CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000580890980 566733112 /nfs/dbraw/zinc/73/31/12/566733112.db2.gz UKYPRSDNOURIHN-YMTOWFKASA-N -2 3 389.882 3.154 20 0 GGADHL COc1cc(CN[C@H](C)c2nc(C(=O)[O-])cs2)cc(Br)c1[O-] ZINC000630463560 566735159 /nfs/dbraw/zinc/73/51/59/566735159.db2.gz CJQREWWQPCWPQY-SSDOTTSWSA-N -2 3 387.255 3.169 20 0 GGADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccc(C(F)(F)F)cc1 ZINC000515839410 566735540 /nfs/dbraw/zinc/73/55/40/566735540.db2.gz JADAIBBVEZFDDQ-VIFPVBQESA-N -2 3 377.340 3.079 20 0 GGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)ccc1[O-] ZINC000541806263 566751420 /nfs/dbraw/zinc/75/14/20/566751420.db2.gz IKYKAMQKEXFWKO-UHFFFAOYSA-N -2 3 391.232 3.164 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)s2)cs1 ZINC000581186554 566756976 /nfs/dbraw/zinc/75/69/76/566756976.db2.gz PXFWBMPEMAFZPS-XPTSAGLGSA-N -2 3 388.536 3.204 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)s2)cs1 ZINC000581186553 566757005 /nfs/dbraw/zinc/75/70/05/566757005.db2.gz PXFWBMPEMAFZPS-OTYXRUKQSA-N -2 3 388.536 3.204 20 0 GGADHL CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)o1 ZINC000427242640 566759615 /nfs/dbraw/zinc/75/96/15/566759615.db2.gz KZPQDZYEPWOHLR-UHFFFAOYSA-N -2 3 386.857 3.074 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1Br ZINC000427298735 566764173 /nfs/dbraw/zinc/76/41/73/566764173.db2.gz FZCLUCYBSQJRQC-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000427311431 566766434 /nfs/dbraw/zinc/76/64/34/566766434.db2.gz AXFPUVYBSRNLCE-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000562310604 566779995 /nfs/dbraw/zinc/77/99/95/566779995.db2.gz DGNWTESWZDFBRP-UHFFFAOYSA-N -2 3 383.731 3.129 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(Cl)ccc32)cc1C(=O)[O-] ZINC000581724168 566802306 /nfs/dbraw/zinc/80/23/06/566802306.db2.gz QSCWNOMZFMKHFU-CYBMUJFWSA-N -2 3 385.825 3.132 20 0 GGADHL COc1cccc(N=c2[n-]nc(S[C@@H](C)c3nc(C)cc(=O)[n-]3)s2)c1 ZINC000469806266 566815381 /nfs/dbraw/zinc/81/53/81/566815381.db2.gz DCEVRJBYTDOJFN-JTQLQIEISA-N -2 3 375.479 3.370 20 0 GGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000517305211 566818742 /nfs/dbraw/zinc/81/87/42/566818742.db2.gz HLFYXLIYAVRUIU-QMMMGPOBSA-N -2 3 398.706 3.270 20 0 GGADHL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000542731689 566821760 /nfs/dbraw/zinc/82/17/60/566821760.db2.gz XAAOSVOMZQAWSV-UHFFFAOYSA-N -2 3 375.324 3.127 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccccc2)cs1 ZINC000562838475 566827310 /nfs/dbraw/zinc/82/73/10/566827310.db2.gz GNZAHUSOQCRLLR-LLVKDONJSA-N -2 3 379.381 3.418 20 0 GGADHL Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)s1 ZINC000582304932 566849879 /nfs/dbraw/zinc/84/98/79/566849879.db2.gz HPADPKINRSDKTO-UHFFFAOYSA-N -2 3 388.536 3.296 20 0 GGADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)on1 ZINC000563070625 566851496 /nfs/dbraw/zinc/85/14/96/566851496.db2.gz FORFMJAEQITVKS-UHFFFAOYSA-N -2 3 386.857 3.408 20 0 GGADHL COc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c(C(F)(F)F)c1 ZINC000582982632 566911465 /nfs/dbraw/zinc/91/14/65/566911465.db2.gz WGIYPBLSYRAEGI-UHFFFAOYSA-N -2 3 377.340 3.229 20 0 GGADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1)C1CCCCC1 ZINC000656618793 566924502 /nfs/dbraw/zinc/92/45/02/566924502.db2.gz HPFPIDLEGCDOOD-HNNXBMFYSA-N -2 3 375.874 3.375 20 0 GGADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Br)ccc1[O-])C1CCCC1 ZINC000656623611 566925841 /nfs/dbraw/zinc/92/58/41/566925841.db2.gz HXNUVBHPLIZWRP-CQSZACIVSA-N -2 3 378.288 3.102 20 0 GGADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1)C1CCCC1 ZINC000656630112 566926478 /nfs/dbraw/zinc/92/64/78/566926478.db2.gz WNKWJSQEBUJCCI-BLLLJJGKSA-N -2 3 387.523 3.199 20 0 GGADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1)C1CCCC1 ZINC000656630113 566926867 /nfs/dbraw/zinc/92/68/67/566926867.db2.gz WNKWJSQEBUJCCI-LRDDRELGSA-N -2 3 387.523 3.199 20 0 GGADHL CO[C@H](CS(=O)(=O)[N-]c1c([O-])ccc(Br)c1C)C1CCCC1 ZINC000656631921 566927981 /nfs/dbraw/zinc/92/79/81/566927981.db2.gz RDBSHONSNQCMOG-CQSZACIVSA-N -2 3 392.315 3.410 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c1F ZINC000564027604 566938363 /nfs/dbraw/zinc/93/83/63/566938363.db2.gz NOZQFNBGNPKSAG-UHFFFAOYSA-N -2 3 377.315 3.485 20 0 GGADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C2CC2)s1 ZINC000519597088 566949827 /nfs/dbraw/zinc/94/98/27/566949827.db2.gz DRBMJAWCQVUBNZ-ZDUSSCGKSA-N -2 3 386.882 3.233 20 0 GGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000519615679 566952020 /nfs/dbraw/zinc/95/20/20/566952020.db2.gz MZKHEDAIJQCXEW-UWVGGRQHSA-N -2 3 385.379 3.402 20 0 GGADHL CC(C)[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000583691835 566975307 /nfs/dbraw/zinc/97/53/07/566975307.db2.gz QUDWBBSAJDUIMZ-CQSZACIVSA-N -2 3 385.816 3.109 20 0 GGADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000583785068 566984187 /nfs/dbraw/zinc/98/41/87/566984187.db2.gz KPLPHGHPXPYDPU-NSHDSACASA-N -2 3 381.759 3.177 20 0 GGADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000564552991 566985483 /nfs/dbraw/zinc/98/54/83/566985483.db2.gz FMZHXTPSEATVEU-LLVKDONJSA-N -2 3 381.759 3.177 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1cc(F)ccc1F ZINC000681565961 566985886 /nfs/dbraw/zinc/98/58/86/566985886.db2.gz CPQJZXWFBUOOGG-ZDUSSCGKSA-N -2 3 396.198 3.376 20 0 GGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(F)ccc2F)s1 ZINC000681567373 566987186 /nfs/dbraw/zinc/98/71/86/566987186.db2.gz MPWAWVRZKVQQKN-CQSZACIVSA-N -2 3 389.445 3.428 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1F ZINC000681576201 566988070 /nfs/dbraw/zinc/98/80/70/566988070.db2.gz XWCUKDWYZYCMTR-ZDUSSCGKSA-N -2 3 393.770 3.252 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1F ZINC000681576253 566988348 /nfs/dbraw/zinc/98/83/48/566988348.db2.gz ZBYIXWCVOMPSCI-ZDUSSCGKSA-N -2 3 393.770 3.252 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(F)cc1F ZINC000681574492 566988689 /nfs/dbraw/zinc/98/86/89/566988689.db2.gz GLROZDXCSCKSQX-JTQLQIEISA-N -2 3 381.809 3.174 20 0 GGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000681576983 566989482 /nfs/dbraw/zinc/98/94/82/566989482.db2.gz IDBYSRALBAWBGF-LBPRGKRZSA-N -2 3 388.272 3.215 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-][C@H](CCSc2ccccc2)C(=O)[O-])c1F ZINC000520298084 566995010 /nfs/dbraw/zinc/99/50/10/566995010.db2.gz LXZGCPPMGGJZCV-CQSZACIVSA-N -2 3 383.466 3.048 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1F ZINC000564699705 567001462 /nfs/dbraw/zinc/00/14/62/567001462.db2.gz KOPOWHUBCPTQEK-CYBMUJFWSA-N -2 3 378.208 3.237 20 0 GGADHL O=S(=O)(CCc1ccc2c(c1)CCO2)[N-]c1ccc(Br)cc1[O-] ZINC000584056562 567008333 /nfs/dbraw/zinc/00/83/33/567008333.db2.gz VKBMPUFXQWPNTB-UHFFFAOYSA-N -2 3 398.278 3.074 20 0 GGADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)s1 ZINC000564858557 567014702 /nfs/dbraw/zinc/01/47/02/567014702.db2.gz ZQIZGNZZRUDHDK-LLVKDONJSA-N -2 3 395.289 3.171 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3Cl)CC2)cc1C(=O)[O-] ZINC000564917623 567019672 /nfs/dbraw/zinc/01/96/72/567019672.db2.gz ZFKHLYUMGXKHDG-UHFFFAOYSA-N -2 3 387.816 3.089 20 0 GGADHL COc1ccccc1-c1nc(NC(=O)c2cccc(Br)c2[O-])n[n-]1 ZINC000520716967 567020618 /nfs/dbraw/zinc/02/06/18/567020618.db2.gz LXDRBQPZYMCWIJ-UHFFFAOYSA-N -2 3 389.209 3.201 20 0 GGADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000657142234 567023957 /nfs/dbraw/zinc/02/39/57/567023957.db2.gz BAQOHMDZGZVKJG-MFKMUULPSA-N -2 3 379.400 3.263 20 0 GGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC)C(=O)[O-] ZINC000584270796 567027688 /nfs/dbraw/zinc/02/76/88/567027688.db2.gz CWHJNNCDDFBSFX-LBPRGKRZSA-N -2 3 377.890 3.298 20 0 GGADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2cc(F)c(F)cc2F)o1 ZINC000521507982 567062989 /nfs/dbraw/zinc/06/29/89/567062989.db2.gz IGRHHCVRSODBDE-UHFFFAOYSA-N -2 3 376.356 3.026 20 0 GGADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccsc2C)c(F)c1 ZINC000634795784 567064426 /nfs/dbraw/zinc/06/44/26/567064426.db2.gz OGSTZPWCJLLNDY-UHFFFAOYSA-N -2 3 392.499 3.148 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(F)cc2F)sc1Cl ZINC000682698934 567068013 /nfs/dbraw/zinc/06/80/13/567068013.db2.gz PHYWPNQIZFOSMU-NSHDSACASA-N -2 3 395.836 3.482 20 0 GGADHL CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000565537116 567075975 /nfs/dbraw/zinc/07/59/75/567075975.db2.gz IDDLEXDSUOMXTM-UHFFFAOYSA-N -2 3 388.898 3.271 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C)c1 ZINC000473416173 567078678 /nfs/dbraw/zinc/07/86/78/567078678.db2.gz XVIOTPYPZYIKJI-UHFFFAOYSA-N -2 3 390.230 3.412 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1cccs1 ZINC000682896991 567081341 /nfs/dbraw/zinc/08/13/41/567081341.db2.gz YXUORJVRDCFRQF-JTQLQIEISA-N -2 3 397.371 3.400 20 0 GGADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C(=O)[O-])cc1 ZINC000521869878 567083058 /nfs/dbraw/zinc/08/30/58/567083058.db2.gz VQDRMZQKEKXRTA-LLVKDONJSA-N -2 3 393.408 3.222 20 0 GGADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(F)c1Cl ZINC000473474280 567083462 /nfs/dbraw/zinc/08/34/62/567083462.db2.gz BSSBLSGUFWHIAK-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(F)c1Cl ZINC000473474280 567083465 /nfs/dbraw/zinc/08/34/65/567083465.db2.gz BSSBLSGUFWHIAK-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C2CC2)s1 ZINC000566176343 567133203 /nfs/dbraw/zinc/13/32/03/567133203.db2.gz LHNIOZLEOIYJJL-ZDUSSCGKSA-N -2 3 386.882 3.233 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000683729720 567148380 /nfs/dbraw/zinc/14/83/80/567148380.db2.gz ZIACLYNUSOXURP-AWEZNQCLSA-N -2 3 383.853 3.151 20 0 GGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)c1 ZINC000474302707 567157525 /nfs/dbraw/zinc/15/75/25/567157525.db2.gz IUTMOYVFFRFGPR-UHFFFAOYSA-N -2 3 381.837 3.497 20 0 GGADHL CCc1cccc2c(CC[N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c[nH]c21 ZINC000546960259 567175110 /nfs/dbraw/zinc/17/51/10/567175110.db2.gz WPOUHYDQZBVGQZ-UHFFFAOYSA-N -2 3 378.475 3.011 20 0 GGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000566714552 567183072 /nfs/dbraw/zinc/18/30/72/567183072.db2.gz HNQJPNAENVXYJT-QMMMGPOBSA-N -2 3 398.706 3.270 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)c1nc2c(s1)CCC2 ZINC000566843305 567196150 /nfs/dbraw/zinc/19/61/50/567196150.db2.gz UXPWRUXUZBQHGE-MRVPVSSYSA-N -2 3 386.882 3.023 20 0 GGADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)n[n-]1 ZINC000547301493 567198964 /nfs/dbraw/zinc/19/89/64/567198964.db2.gz ZEZCPHWIKLURQW-UHFFFAOYSA-N -2 3 379.825 3.194 20 0 GGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000547468132 567211809 /nfs/dbraw/zinc/21/18/09/567211809.db2.gz QLWDRXPXJOETTJ-UHFFFAOYSA-N -2 3 384.679 3.026 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1F ZINC000547547153 567218175 /nfs/dbraw/zinc/21/81/75/567218175.db2.gz OEQPUUMNNCNBEE-CYBMUJFWSA-N -2 3 378.208 3.237 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1cccs1 ZINC000547546283 567218824 /nfs/dbraw/zinc/21/88/24/567218824.db2.gz FLZPVXFNPYHNTD-NSHDSACASA-N -2 3 383.344 3.010 20 0 GGADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000547560667 567220206 /nfs/dbraw/zinc/22/02/06/567220206.db2.gz CAFXPEANQWJDFI-JTQLQIEISA-N -2 3 388.898 3.385 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]C[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])c1F ZINC000547558183 567220308 /nfs/dbraw/zinc/22/03/08/567220308.db2.gz SSWIKFMCWVCSFC-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)CC(=O)[O-] ZINC000547554576 567220731 /nfs/dbraw/zinc/22/07/31/567220731.db2.gz POAQAMLPMVRPOZ-VIFPVBQESA-N -2 3 396.278 3.004 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])s2)cs1 ZINC000547565258 567221782 /nfs/dbraw/zinc/22/17/82/567221782.db2.gz KWWIWLWSQMZVER-SNVBAGLBSA-N -2 3 388.536 3.492 20 0 GGADHL Cc1ccc(C[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)C(=O)[O-])cc1 ZINC000547561873 567222139 /nfs/dbraw/zinc/22/21/39/567222139.db2.gz VKWXSZFDDDSVGE-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])s2)cs1 ZINC000547565246 567222159 /nfs/dbraw/zinc/22/21/59/567222159.db2.gz KWWIWLWSQMZVER-JTQLQIEISA-N -2 3 388.536 3.492 20 0 GGADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(Br)s2)(CC(=O)[O-])C1 ZINC000547568345 567223661 /nfs/dbraw/zinc/22/36/61/567223661.db2.gz LTZKXLCQRZAARA-RNCFNFMXSA-N -2 3 396.328 3.070 20 0 GGADHL Cc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000547577247 567224246 /nfs/dbraw/zinc/22/42/46/567224246.db2.gz WJUVUNRMEPHMMI-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)c1 ZINC000547575395 567224969 /nfs/dbraw/zinc/22/49/69/567224969.db2.gz IHGNOTGTODJVTC-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1 ZINC000684654587 567225127 /nfs/dbraw/zinc/22/51/27/567225127.db2.gz IJBBKNDWYVXFSP-GFCCVEGCSA-N -2 3 388.272 3.215 20 0 GGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000684655792 567225277 /nfs/dbraw/zinc/22/52/77/567225277.db2.gz UIYBMSFNDSIIJI-SECBINFHSA-N -2 3 398.706 3.414 20 0 GGADHL CCSCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000525018544 567226257 /nfs/dbraw/zinc/22/62/57/567226257.db2.gz OGBAHFOYXHHCPG-UHFFFAOYSA-N -2 3 381.475 3.447 20 0 GGADHL O=C([O-])[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000547608905 567230353 /nfs/dbraw/zinc/23/03/53/567230353.db2.gz BWSDOMCQTOCMHA-CYBMUJFWSA-N -2 3 392.235 3.107 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)c(F)cc1F ZINC000547617288 567232836 /nfs/dbraw/zinc/23/28/36/567232836.db2.gz LGJBUABVJZGLBG-CQSZACIVSA-N -2 3 375.780 3.031 20 0 GGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000547616915 567233092 /nfs/dbraw/zinc/23/30/92/567233092.db2.gz FDDHYOXHHHPZCR-ZJUUUORDSA-N -2 3 396.278 3.146 20 0 GGADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21)C(F)F ZINC000567275879 567233134 /nfs/dbraw/zinc/23/31/34/567233134.db2.gz JAADIQZNTBXWHL-VIFPVBQESA-N -2 3 377.796 3.128 20 0 GGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547616913 567233351 /nfs/dbraw/zinc/23/33/51/567233351.db2.gz FDDHYOXHHHPZCR-UWVGGRQHSA-N -2 3 396.278 3.146 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)c(F)c1 ZINC000547617246 567233583 /nfs/dbraw/zinc/23/35/83/567233583.db2.gz KRNVSLGNDUAGDE-CYBMUJFWSA-N -2 3 397.733 3.001 20 0 GGADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-])C1CC1 ZINC000567293428 567234871 /nfs/dbraw/zinc/23/48/71/567234871.db2.gz DTZXFRNWVHNKFQ-MADCSZMMSA-N -2 3 385.791 3.136 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cc2[nH]ncc21 ZINC000499285854 567234744 /nfs/dbraw/zinc/23/47/44/567234744.db2.gz PANHCIREAFABBY-UHFFFAOYSA-N -2 3 379.825 3.332 20 0 GGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000547638822 567234854 /nfs/dbraw/zinc/23/48/54/567234854.db2.gz DSPFQNNDFFYHOI-QMMMGPOBSA-N -2 3 398.706 3.270 20 0 GGADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-])C1CC1 ZINC000567293426 567235054 /nfs/dbraw/zinc/23/50/54/567235054.db2.gz DTZXFRNWVHNKFQ-JVXZTZIISA-N -2 3 385.791 3.136 20 0 GGADHL O=C([O-])[C@@H](CC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)Cc1ccccc1 ZINC000547701883 567240500 /nfs/dbraw/zinc/24/05/00/567240500.db2.gz DOCZSNYYBDBMCA-ZDUSSCGKSA-N -2 3 385.844 3.091 20 0 GGADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000547873482 567253610 /nfs/dbraw/zinc/25/36/10/567253610.db2.gz ZFURNRPATWGVDZ-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL COc1cccc([C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C(=O)[O-])c1 ZINC000547881920 567255554 /nfs/dbraw/zinc/25/55/54/567255554.db2.gz KZRVPWROSJEGAO-NSHDSACASA-N -2 3 396.273 3.168 20 0 GGADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000547884651 567255809 /nfs/dbraw/zinc/25/58/09/567255809.db2.gz KKSFKUDLWXYCOZ-MRVPVSSYSA-N -2 3 384.679 3.024 20 0 GGADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000547887887 567256586 /nfs/dbraw/zinc/25/65/86/567256586.db2.gz CRVIDGRMMLURKV-OCCSQVGLSA-N -2 3 383.363 3.156 20 0 GGADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547896410 567257924 /nfs/dbraw/zinc/25/79/24/567257924.db2.gz MYIYZWYXYYVLSJ-OCCSQVGLSA-N -2 3 383.363 3.156 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])sc1Br ZINC000547899585 567259482 /nfs/dbraw/zinc/25/94/82/567259482.db2.gz CDUWUPPMSANAGT-SECBINFHSA-N -2 3 384.317 3.131 20 0 GGADHL CCCSC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000547908981 567260386 /nfs/dbraw/zinc/26/03/86/567260386.db2.gz YZLBJJGDILTNOD-JTQLQIEISA-N -2 3 386.322 3.177 20 0 GGADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(F)F ZINC000685208811 567261047 /nfs/dbraw/zinc/26/10/47/567261047.db2.gz IFPASQAJHKLDHB-JTQLQIEISA-N -2 3 377.796 3.128 20 0 GGADHL C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCCC[C@H]1C(=O)[O-] ZINC000567609710 567261138 /nfs/dbraw/zinc/26/11/38/567261138.db2.gz XJXDXVUFVFZHHC-ZUZCIYMTSA-N -2 3 397.827 3.253 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1F ZINC000547916771 567262611 /nfs/dbraw/zinc/26/26/11/567262611.db2.gz NUXFWWFLEKAHTD-ZDUSSCGKSA-N -2 3 375.780 3.113 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1cccc(Cl)c1 ZINC000547923284 567263366 /nfs/dbraw/zinc/26/33/66/567263366.db2.gz VAVWALSWVFYVCG-LBPRGKRZSA-N -2 3 375.780 3.113 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccccc1F ZINC000547921809 567263963 /nfs/dbraw/zinc/26/39/63/567263963.db2.gz JKDHKKMWFSWKDI-ZDUSSCGKSA-N -2 3 375.780 3.113 20 0 GGADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000547931845 567265403 /nfs/dbraw/zinc/26/54/03/567265403.db2.gz KZPXSDMHYMXFQD-LDYMZIIASA-N -2 3 398.344 3.377 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])s1 ZINC000547937082 567266688 /nfs/dbraw/zinc/26/66/88/567266688.db2.gz SMLYDWAZTHJCEN-UHFFFAOYSA-N -2 3 398.344 3.378 20 0 GGADHL O=C([O-])[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000547939824 567266980 /nfs/dbraw/zinc/26/69/80/567266980.db2.gz XHWRMHGDASELHX-LBPRGKRZSA-N -2 3 392.235 3.107 20 0 GGADHL O=C([O-])[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000547939823 567267049 /nfs/dbraw/zinc/26/70/49/567267049.db2.gz XHWRMHGDASELHX-GFCCVEGCSA-N -2 3 392.235 3.107 20 0 GGADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)s1 ZINC000547937288 567267439 /nfs/dbraw/zinc/26/74/39/567267439.db2.gz AMQUMATVLWPUSO-GFCCVEGCSA-N -2 3 395.289 3.117 20 0 GGADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000567693069 567269174 /nfs/dbraw/zinc/26/91/74/567269174.db2.gz JTODUGMLHYXSRT-KWQFWETISA-N -2 3 398.706 3.126 20 0 GGADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000567693063 567269517 /nfs/dbraw/zinc/26/95/17/567269517.db2.gz JTODUGMLHYXSRT-GZMMTYOYSA-N -2 3 398.706 3.126 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(C)C ZINC000567805513 567279669 /nfs/dbraw/zinc/27/96/69/567279669.db2.gz ICWUAGQJYXBERN-CYBMUJFWSA-N -2 3 383.491 3.173 20 0 GGADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000526060298 567288055 /nfs/dbraw/zinc/28/80/55/567288055.db2.gz XHURQNCKFSJECO-LBPRGKRZSA-N -2 3 389.901 3.298 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)c(F)c1 ZINC000548195973 567288619 /nfs/dbraw/zinc/28/86/19/567288619.db2.gz IZJMAOWGZWLQBN-UHFFFAOYSA-N -2 3 377.315 3.485 20 0 GGADHL O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000548198627 567289107 /nfs/dbraw/zinc/28/91/07/567289107.db2.gz AVJLKCZRCFUJIE-UHFFFAOYSA-N -2 3 380.731 3.253 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2Cl)C(=O)[O-])c(F)c1 ZINC000548205913 567290436 /nfs/dbraw/zinc/29/04/36/567290436.db2.gz HLENABWDRYPEIH-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000548213014 567291275 /nfs/dbraw/zinc/29/12/75/567291275.db2.gz KABDEYQHHOBRGR-ZDUSSCGKSA-N -2 3 392.235 3.107 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]CC3(C(=O)[O-])CCCC3)s2)cs1 ZINC000548227442 567292853 /nfs/dbraw/zinc/29/28/53/567292853.db2.gz PWRSUQKCEJOZIN-UHFFFAOYSA-N -2 3 386.520 3.103 20 0 GGADHL Cc1cccc(C[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2Cl)C(=O)[O-])c1 ZINC000548226000 567293418 /nfs/dbraw/zinc/29/34/18/567293418.db2.gz USVHVHJILZAJOD-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1c(Cl)cccc1Cl ZINC000548231566 567294468 /nfs/dbraw/zinc/29/44/68/567294468.db2.gz KCVARNGEBJYVNO-ZDUSSCGKSA-N -2 3 396.198 3.376 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)cc1Cl ZINC000548260495 567299285 /nfs/dbraw/zinc/29/92/85/567299285.db2.gz FFZPJCCAQRTOEF-GFCCVEGCSA-N -2 3 384.281 3.170 20 0 GGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000548259793 567299696 /nfs/dbraw/zinc/29/96/96/567299696.db2.gz BCLPDKXRCVGTPU-ZJUUUORDSA-N -2 3 385.379 3.402 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)cc1Cl ZINC000548260496 567300112 /nfs/dbraw/zinc/30/01/12/567300112.db2.gz FFZPJCCAQRTOEF-LBPRGKRZSA-N -2 3 384.281 3.170 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000548262904 567300583 /nfs/dbraw/zinc/30/05/83/567300583.db2.gz POGOWQGLHSWEQG-BDJLRTHQSA-N -2 3 383.853 3.089 20 0 GGADHL O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)c1cccs1 ZINC000548268396 567302435 /nfs/dbraw/zinc/30/24/35/567302435.db2.gz OZDWNDUJAZUFFW-LLVKDONJSA-N -2 3 380.274 3.029 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])s2)cs1 ZINC000548291829 567303858 /nfs/dbraw/zinc/30/38/58/567303858.db2.gz QZXORONSZMBSAK-VIFPVBQESA-N -2 3 388.536 3.348 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])s2)cs1 ZINC000548291828 567304184 /nfs/dbraw/zinc/30/41/84/567304184.db2.gz QZXORONSZMBSAK-SECBINFHSA-N -2 3 388.536 3.348 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-][C@H](CCSc2ccccc2)C(=O)[O-])c(F)c1 ZINC000685898449 567307136 /nfs/dbraw/zinc/30/71/36/567307136.db2.gz BOTGKAMZMDRFCS-OAHLLOKOSA-N -2 3 383.466 3.048 20 0 GGADHL COc1ccc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c([O-])c1 ZINC000527202162 567320554 /nfs/dbraw/zinc/32/05/54/567320554.db2.gz MTVFYYFJRJAFGV-UHFFFAOYSA-N -2 3 389.205 3.257 20 0 GGADHL CSc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC000476415986 567321376 /nfs/dbraw/zinc/32/13/76/567321376.db2.gz DYMVKTYJVQIXEN-UHFFFAOYSA-N -2 3 387.866 3.326 20 0 GGADHL O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000548526141 567321364 /nfs/dbraw/zinc/32/13/64/567321364.db2.gz UHIOPSRQFZULHX-UHFFFAOYSA-N -2 3 377.315 3.485 20 0 GGADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000476422844 567323395 /nfs/dbraw/zinc/32/33/95/567323395.db2.gz LOADZZFDFUHJOV-UHFFFAOYSA-N -2 3 391.779 3.055 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(O)cc2)c1Cl ZINC000548538030 567324027 /nfs/dbraw/zinc/32/40/27/567324027.db2.gz HOCOJZJQLGXSQU-CYBMUJFWSA-N -2 3 390.244 3.112 20 0 GGADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000548543663 567325873 /nfs/dbraw/zinc/32/58/73/567325873.db2.gz WQOXQTGBZSUKMP-SUMWQHHRSA-N -2 3 380.491 3.122 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(F)cc2)c(Cl)cc1F ZINC000548546647 567326958 /nfs/dbraw/zinc/32/69/58/567326958.db2.gz SQLWNFFQGBDTFJ-AWEZNQCLSA-N -2 3 375.780 3.031 20 0 GGADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c1 ZINC000476486332 567327224 /nfs/dbraw/zinc/32/72/24/567327224.db2.gz QPRDHEYURFBAFD-UHFFFAOYSA-N -2 3 385.800 3.489 20 0 GGADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000527301316 567329027 /nfs/dbraw/zinc/32/90/27/567329027.db2.gz GGMGTWUFQJEGMU-NSHDSACASA-N -2 3 375.874 3.051 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(Cl)c2)c(F)cc1F ZINC000548560612 567329837 /nfs/dbraw/zinc/32/98/37/567329837.db2.gz AXHQTVKAMSLDPA-AWEZNQCLSA-N -2 3 389.807 3.421 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1F ZINC000548570637 567330812 /nfs/dbraw/zinc/33/08/12/567330812.db2.gz JDGMKGVSTNQMPT-LBPRGKRZSA-N -2 3 375.780 3.113 20 0 GGADHL Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Br ZINC000548576049 567331888 /nfs/dbraw/zinc/33/18/88/567331888.db2.gz UOFFYWBTHXIKQO-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccc(Cl)c1 ZINC000548578361 567331988 /nfs/dbraw/zinc/33/19/88/567331988.db2.gz VPCSKUQVJVNLTA-LLVKDONJSA-N -2 3 393.770 3.252 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000548578293 567332449 /nfs/dbraw/zinc/33/24/49/567332449.db2.gz OKGYFBUQQJAKKL-CYBMUJFWSA-N -2 3 375.780 3.113 20 0 GGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000548593876 567335200 /nfs/dbraw/zinc/33/52/00/567335200.db2.gz VFBPPPPAJAXWJZ-VHSXEESVSA-N -2 3 385.379 3.402 20 0 GGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000548593872 567335313 /nfs/dbraw/zinc/33/53/13/567335313.db2.gz VFBPPPPAJAXWJZ-NXEZZACHSA-N -2 3 385.379 3.402 20 0 GGADHL CC(C)(CC[N-]S(=O)(=O)c1cc(F)ccc1Br)CCC(=O)[O-] ZINC000548593293 567335357 /nfs/dbraw/zinc/33/53/57/567335357.db2.gz ODSRFUOBSMDGEE-UHFFFAOYSA-N -2 3 396.278 3.148 20 0 GGADHL O=C([O-])[C@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1F)Cc1ccccc1 ZINC000548684996 567343117 /nfs/dbraw/zinc/34/31/17/567343117.db2.gz YPPYCEZYMCUNDS-CYBMUJFWSA-N -2 3 385.844 3.091 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC[C@H](C)C2)s1 ZINC000548770421 567349811 /nfs/dbraw/zinc/34/98/11/567349811.db2.gz AUCLCIWBHVNQCR-SDBXPKJASA-N -2 3 396.328 3.131 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2Cl)c1 ZINC000435880855 567393620 /nfs/dbraw/zinc/39/36/20/567393620.db2.gz MHTSZPQBTTXRIC-LDYMZIIASA-N -2 3 375.830 3.073 20 0 GGADHL Cn1cc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c2ccc(Cl)cc21 ZINC000435955583 567397044 /nfs/dbraw/zinc/39/70/44/567397044.db2.gz QGFNFNKZUFXSRN-UHFFFAOYSA-N -2 3 398.893 3.112 20 0 GGADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000569581238 567415815 /nfs/dbraw/zinc/41/58/15/567415815.db2.gz SHNTVZLNGARFLI-JMCQJSRRSA-N -2 3 385.791 3.136 20 0 GGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1F ZINC000569633538 567420241 /nfs/dbraw/zinc/42/02/41/567420241.db2.gz AEOCNRNOSVVPOK-UHFFFAOYSA-N -2 3 375.780 3.301 20 0 GGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c1 ZINC000436487189 567428249 /nfs/dbraw/zinc/42/82/49/567428249.db2.gz LAAHYDOFNGMCOO-UHFFFAOYSA-N -3 3 380.180 3.337 20 0 GGADHL O=C(Nc1cc(Br)ccc1[O-])c1nn(-c2cccc(F)c2)cc1[O-] ZINC000436718039 567445534 /nfs/dbraw/zinc/44/55/34/567445534.db2.gz VYBZKVMZVPMDCY-UHFFFAOYSA-N -2 3 392.184 3.437 20 0 GGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)c1 ZINC000436745847 567449495 /nfs/dbraw/zinc/44/94/95/567449495.db2.gz DUTQLUNLMPTQSY-UHFFFAOYSA-N -3 3 380.180 3.337 20 0 GGADHL CO[C@H](CS(=O)(=O)[N-]c1cccc([O-])c1Br)C1CCCC1 ZINC000641689296 567450443 /nfs/dbraw/zinc/45/04/43/567450443.db2.gz PCISAISUJCRJPI-CYBMUJFWSA-N -2 3 378.288 3.102 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1F ZINC000642092479 567467404 /nfs/dbraw/zinc/46/74/04/567467404.db2.gz RGIYNGOIZNAUOW-CQSZACIVSA-N -2 3 375.780 3.113 20 0 GGADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000570375192 567479319 /nfs/dbraw/zinc/47/93/19/567479319.db2.gz FGEBSASCSNYITE-SECBINFHSA-N -2 3 384.679 3.024 20 0 GGADHL CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)s1 ZINC000570401175 567481619 /nfs/dbraw/zinc/48/16/19/567481619.db2.gz JQWOVYNWBUWWEF-UHFFFAOYSA-N -2 3 388.536 3.241 20 0 GGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)s1 ZINC000663294181 567491927 /nfs/dbraw/zinc/49/19/27/567491927.db2.gz PJFVLTIRYKOTDO-SECBINFHSA-N -2 3 387.445 3.367 20 0 GGADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1csc2ccccc21)C(F)(F)F ZINC000663294403 567492387 /nfs/dbraw/zinc/49/23/87/567492387.db2.gz QEENGUUPXKBQAZ-SECBINFHSA-N -2 3 381.397 3.223 20 0 GGADHL CCCc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000570573318 567496280 /nfs/dbraw/zinc/49/62/80/567496280.db2.gz LAKXSVKLFTVDJL-SNVBAGLBSA-N -2 3 387.807 3.224 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCSc3ccc(Cl)cc32)oc1C(=O)[O-] ZINC000663420317 567505521 /nfs/dbraw/zinc/50/55/21/567505521.db2.gz GMXIWWWJFUCBJY-NSHDSACASA-N -2 3 387.866 3.455 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(Cl)cc32)oc1C(=O)[O-] ZINC000663420313 567506030 /nfs/dbraw/zinc/50/60/30/567506030.db2.gz GMXIWWWJFUCBJY-LLVKDONJSA-N -2 3 387.866 3.455 20 0 GGADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)(CC(=O)[O-])C1 ZINC000570704407 567506679 /nfs/dbraw/zinc/50/66/79/567506679.db2.gz BNRGKSUUCWQXGE-ZANVPECISA-N -2 3 385.429 3.326 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)c1 ZINC000504037039 567519489 /nfs/dbraw/zinc/51/94/89/567519489.db2.gz TWUALDPRGVPCLC-UHFFFAOYSA-N -2 3 379.768 3.456 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cc2[nH]ncc21 ZINC000479266806 567520935 /nfs/dbraw/zinc/52/09/35/567520935.db2.gz PLSYDEWINIMTEU-UHFFFAOYSA-N -2 3 379.825 3.332 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2F)cc1C(=O)[O-] ZINC000571080282 567535934 /nfs/dbraw/zinc/53/59/34/567535934.db2.gz TUUBHUSIWIQOLJ-UHFFFAOYSA-N -2 3 375.805 3.292 20 0 GGADHL CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000551911983 567542275 /nfs/dbraw/zinc/54/22/75/567542275.db2.gz WZMRHQJQMZSCQX-JTQLQIEISA-N -2 3 387.807 3.395 20 0 GGADHL COc1cc(Br)ccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504740214 567545635 /nfs/dbraw/zinc/54/56/35/567545635.db2.gz FNCBMFVIVDQASY-GQCTYLIASA-N -2 3 379.210 3.059 20 0 GGADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000479626226 567549012 /nfs/dbraw/zinc/54/90/12/567549012.db2.gz ZJDFGWCBQQCBIR-VIFPVBQESA-N -2 3 398.706 3.128 20 0 GGADHL O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc(Cl)cc(Br)c1[O-] ZINC000438983444 567558979 /nfs/dbraw/zinc/55/89/79/567558979.db2.gz BYBQQOPXVPTHRU-UHFFFAOYSA-N -2 3 394.616 3.241 20 0 GGADHL O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc(Cl)cc(Br)c1[O-] ZINC000438983444 567558985 /nfs/dbraw/zinc/55/89/85/567558985.db2.gz BYBQQOPXVPTHRU-UHFFFAOYSA-N -2 3 394.616 3.241 20 0 GGADHL O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc(Cl)cc(Br)c1[O-] ZINC000438983444 567558994 /nfs/dbraw/zinc/55/89/94/567558994.db2.gz BYBQQOPXVPTHRU-UHFFFAOYSA-N -2 3 394.616 3.241 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)cc1Cl ZINC000644571999 567561550 /nfs/dbraw/zinc/56/15/50/567561550.db2.gz RXAGYLCSWXIRHI-AMIZOPFISA-N -2 3 384.281 3.026 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]C2CC(F)(c3cccc(Cl)c3)C2)c1 ZINC000479871261 567565432 /nfs/dbraw/zinc/56/54/32/567565432.db2.gz DJJRPIUQJLTIKZ-UHFFFAOYSA-N -2 3 389.857 3.405 20 0 GGADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000530339576 567593886 /nfs/dbraw/zinc/59/38/86/567593886.db2.gz MBBYMFJSYAVZTP-GFCCVEGCSA-N -2 3 389.901 3.441 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)sc1Cl ZINC000530435332 567600815 /nfs/dbraw/zinc/60/08/15/567600815.db2.gz PXCHSWUASMQIOD-NSHDSACASA-N -2 3 380.274 3.468 20 0 GGADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000530472940 567603774 /nfs/dbraw/zinc/60/37/74/567603774.db2.gz KKKLJGKISDEPJT-NSHDSACASA-N -2 3 385.791 3.281 20 0 GGADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000530476519 567605397 /nfs/dbraw/zinc/60/53/97/567605397.db2.gz RQCXYSHXNWQWJF-LLVKDONJSA-N -2 3 396.690 3.024 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccsc1 ZINC000530488301 567605782 /nfs/dbraw/zinc/60/57/82/567605782.db2.gz FQIVMQMVHXDQNZ-LLVKDONJSA-N -2 3 384.237 3.298 20 0 GGADHL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(Br)cc3[O-])cc2=O)cc1 ZINC000530572558 567611720 /nfs/dbraw/zinc/61/17/20/567611720.db2.gz WSVWGOXVGMKORQ-UHFFFAOYSA-N -2 3 388.221 3.194 20 0 GGADHL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1 ZINC000530957562 567632721 /nfs/dbraw/zinc/63/27/21/567632721.db2.gz WUMRSHDZSUYWRE-UHFFFAOYSA-N -2 3 385.800 3.327 20 0 GGADHL O=S(=O)([N-]c1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccsc1 ZINC000506722087 567639592 /nfs/dbraw/zinc/63/95/92/567639592.db2.gz NHLSLECDFBVBDS-UHFFFAOYSA-N -2 3 394.499 3.350 20 0 GGADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000572435776 567639714 /nfs/dbraw/zinc/63/97/14/567639714.db2.gz MPHGJXZKFBYCCI-LLVKDONJSA-N -2 3 396.690 3.024 20 0 GGADHL Cc1ncsc1CCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000572649946 567655215 /nfs/dbraw/zinc/65/52/15/567655215.db2.gz JTTVSIQFFVCKPB-UHFFFAOYSA-N -2 3 394.396 3.153 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)c1ccc(Cl)s1 ZINC000645950316 567683437 /nfs/dbraw/zinc/68/34/37/567683437.db2.gz CQZBNTXXPHEJTN-ZCFIWIBFSA-N -2 3 381.884 3.209 20 0 GGADHL CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n1 ZINC000645964559 567684780 /nfs/dbraw/zinc/68/47/80/567684780.db2.gz KYGPIUPELGKJBN-UHFFFAOYSA-N -2 3 388.898 3.271 20 0 GGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000573066571 567685177 /nfs/dbraw/zinc/68/51/77/567685177.db2.gz JLQFRZHYLPIRML-NSHDSACASA-N -2 3 382.404 3.050 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1C(=O)[O-] ZINC000442238269 567688279 /nfs/dbraw/zinc/68/82/79/567688279.db2.gz QUHIUIIXWMABQZ-UHFFFAOYSA-N -2 3 377.752 3.126 20 0 GGADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCCCC1 ZINC000573114490 567688865 /nfs/dbraw/zinc/68/88/65/567688865.db2.gz FQRYHNGRCNPCGO-UHFFFAOYSA-N -2 3 397.827 3.397 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000646001255 567690191 /nfs/dbraw/zinc/69/01/91/567690191.db2.gz PLQMIODMPLJBRI-CMPLNLGQSA-N -2 3 391.392 3.300 20 0 GGADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000573365291 567708814 /nfs/dbraw/zinc/70/88/14/567708814.db2.gz UACLPHWYQCLJHB-KGLIPLIRSA-N -2 3 387.885 3.051 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)ccc1C(=O)[O-] ZINC000507964282 567719778 /nfs/dbraw/zinc/71/97/78/567719778.db2.gz JDTCOTUYQQSQOA-UHFFFAOYSA-N -2 3 379.821 3.276 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC(C)CC2)c(Cl)c1Cl ZINC000554538278 567734582 /nfs/dbraw/zinc/73/45/82/567734582.db2.gz YDXCAJIQBKMYBM-UHFFFAOYSA-N -2 3 396.292 3.314 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]Cc2ccc([O-])c(Br)c2)c(F)cc1F ZINC000443486974 567760803 /nfs/dbraw/zinc/76/08/03/567760803.db2.gz JIMFUUGKZYIRNH-UHFFFAOYSA-N -2 3 392.221 3.220 20 0 GGADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1cc(F)cc(Cl)c1 ZINC000533694958 567782474 /nfs/dbraw/zinc/78/24/74/567782474.db2.gz PGWMLVVWKSDXJJ-UHFFFAOYSA-N -2 3 394.649 3.426 20 0 GGADHL COc1ccsc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccc(C(C)C)cc1 ZINC000574619539 567788442 /nfs/dbraw/zinc/78/84/42/567788442.db2.gz BNAKULHAMAJOGJ-CQSZACIVSA-N -2 3 383.491 3.374 20 0 GGADHL Cc1c(S(=O)(=O)[N-]c2cccc([O-])c2F)cnn1-c1ccc(Cl)cc1 ZINC000534318189 567807821 /nfs/dbraw/zinc/80/78/21/567807821.db2.gz DCDJKONGSBSLMC-UHFFFAOYSA-N -2 3 381.816 3.480 20 0 GGADHL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000024433390 570383554 /nfs/dbraw/zinc/38/35/54/570383554.db2.gz PLAMRVCPJYXUBO-UHFFFAOYSA-N -2 3 394.424 3.309 20 0 GGADHL CC(C)n1ncc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3F)ccc21 ZINC000484539920 597514004 /nfs/dbraw/zinc/51/40/04/597514004.db2.gz VJXBKZZZQMDYIH-UHFFFAOYSA-N -2 3 377.397 3.255 20 0 GGADHL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000821539183 597739726 /nfs/dbraw/zinc/73/97/26/597739726.db2.gz SGRWJGUJHLYCEJ-UHFFFAOYSA-N -2 3 390.392 3.050 20 0 GGADHL C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)C1CCCCC1 ZINC000820225189 607325682 /nfs/dbraw/zinc/32/56/82/607325682.db2.gz CRJOGQXYBOMFJJ-SFHVURJKSA-N -2 3 375.404 3.006 20 0 GGADHL C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000820225189 607325683 /nfs/dbraw/zinc/32/56/83/607325683.db2.gz CRJOGQXYBOMFJJ-SFHVURJKSA-N -2 3 375.404 3.006 20 0 GGADHL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736666516 598283050 /nfs/dbraw/zinc/28/30/50/598283050.db2.gz KFFVOWHXFPDOPJ-UHFFFAOYSA-N -2 3 395.897 3.433 20 0 GGADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000736487132 599313448 /nfs/dbraw/zinc/31/34/48/599313448.db2.gz CXUBBKXNNGNDEQ-UHFFFAOYSA-N -2 3 398.901 3.204 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Nc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000740177130 599735455 /nfs/dbraw/zinc/73/54/55/599735455.db2.gz FKVRTKFQRNXCQO-UHFFFAOYSA-N -2 3 385.612 3.243 20 0 GGADHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1 ZINC000739743923 599747555 /nfs/dbraw/zinc/74/75/55/599747555.db2.gz WROSGKKYEQGNLD-UHFFFAOYSA-N -2 3 386.429 3.132 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(COc3ccccc3)cc2)o1 ZINC000740176611 599771485 /nfs/dbraw/zinc/77/14/85/599771485.db2.gz KEDBXKAICNWZDQ-UHFFFAOYSA-N -2 3 387.413 3.035 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)o1 ZINC000740176683 599775826 /nfs/dbraw/zinc/77/58/26/599775826.db2.gz QKLCBUOGHLYEMR-UHFFFAOYSA-N -2 3 399.424 3.058 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCOc2ccc(Cl)cc2Cl)o1 ZINC000740175708 599776120 /nfs/dbraw/zinc/77/61/20/599776120.db2.gz VSTMYLIDAGXCAM-UHFFFAOYSA-N -2 3 394.232 3.032 20 0 GGADHL C[C@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736622898 599776780 /nfs/dbraw/zinc/77/67/80/599776780.db2.gz WSHXBXMDUFZHHP-MRVPVSSYSA-N -2 3 378.233 3.194 20 0 GGADHL C[C@@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736622899 599776782 /nfs/dbraw/zinc/77/67/82/599776782.db2.gz WSHXBXMDUFZHHP-QMMMGPOBSA-N -2 3 378.233 3.194 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OC3CCCCC3)cc2)o1 ZINC000740176906 599777403 /nfs/dbraw/zinc/77/74/03/599777403.db2.gz YUYXBROONJZLBO-UHFFFAOYSA-N -2 3 379.434 3.168 20 0 GGADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1c(Cl)cccc1Cl ZINC000736606886 599777810 /nfs/dbraw/zinc/77/78/10/599777810.db2.gz MMSHBQPLOGQHIV-QMMMGPOBSA-N -2 3 378.233 3.367 20 0 GGADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OCc2ccncc2)cc1 ZINC000740241976 599851482 /nfs/dbraw/zinc/85/14/82/599851482.db2.gz PMSDDUCQDZRDDY-UHFFFAOYSA-N -2 3 384.413 3.160 20 0 GGADHL O=C([O-])CN(Cc1ccc(F)c(F)c1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000739795919 599864388 /nfs/dbraw/zinc/86/43/88/599864388.db2.gz XWOZVALZRKLSQJ-UHFFFAOYSA-N -2 3 399.353 3.447 20 0 GGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c1 ZINC000738688074 599865240 /nfs/dbraw/zinc/86/52/40/599865240.db2.gz AWYITXVADOEKTD-UHFFFAOYSA-N -2 3 377.809 3.025 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(Cl)c1 ZINC000738348031 599865260 /nfs/dbraw/zinc/86/52/60/599865260.db2.gz WGTLAENHEIESMI-UHFFFAOYSA-N -2 3 391.836 3.333 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1C(=O)[O-] ZINC000590565947 599926407 /nfs/dbraw/zinc/92/64/07/599926407.db2.gz DOGGBGWEKCQLSF-UHFFFAOYSA-N -2 3 390.461 3.479 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCc2cccnc2)cc1 ZINC000728514107 599926451 /nfs/dbraw/zinc/92/64/51/599926451.db2.gz FOEISUQCYLWLDK-UHFFFAOYSA-N -2 3 398.440 3.468 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1OCC(F)F ZINC000466256627 599926837 /nfs/dbraw/zinc/92/68/37/599926837.db2.gz OLZWEMJTLAMZDC-UHFFFAOYSA-N -2 3 385.388 3.446 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)c(Cl)c1 ZINC000738276997 599966179 /nfs/dbraw/zinc/96/61/79/599966179.db2.gz BFBAVHKUGICOKC-UHFFFAOYSA-N -2 3 391.836 3.333 20 0 GGADHL CSCc1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000738196224 600053383 /nfs/dbraw/zinc/05/33/83/600053383.db2.gz PKFJLSSNRXUHRQ-UHFFFAOYSA-N -2 3 381.475 3.204 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1C(=O)[O-] ZINC000738357489 600100906 /nfs/dbraw/zinc/10/09/06/600100906.db2.gz JBVVIJGHUGPCLL-UHFFFAOYSA-N -3 3 382.369 3.031 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)cc1 ZINC000066588501 600102179 /nfs/dbraw/zinc/10/21/79/600102179.db2.gz CDADFENSTBDOSM-UHFFFAOYSA-N -2 3 389.401 3.266 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])ccc1N1CCCC1 ZINC000738463866 600103544 /nfs/dbraw/zinc/10/35/44/600103544.db2.gz YPJPIZSCYYZSCT-UHFFFAOYSA-N -2 3 378.425 3.233 20 0 GGADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1 ZINC000740145413 600104333 /nfs/dbraw/zinc/10/43/33/600104333.db2.gz RFADXYUMWCZWQU-UHFFFAOYSA-N -2 3 378.425 3.315 20 0 GGADHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)cc1 ZINC000740133798 600106063 /nfs/dbraw/zinc/10/60/63/600106063.db2.gz DQHHENRSGWNTCO-UHFFFAOYSA-N -2 3 377.809 3.025 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1NC(=O)C(C)(C)C ZINC000264817053 600236932 /nfs/dbraw/zinc/23/69/32/600236932.db2.gz XDZUYTKTJIJDJQ-UHFFFAOYSA-N -2 3 390.461 3.479 20 0 GGADHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000736992232 600243827 /nfs/dbraw/zinc/24/38/27/600243827.db2.gz CYFDSOBNQWPQBS-UHFFFAOYSA-N -2 3 376.478 3.351 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2cccs2)o1 ZINC000740174062 600264781 /nfs/dbraw/zinc/26/47/81/600264781.db2.gz QTXHSNKWMGNNOK-ZDUSSCGKSA-N -2 3 377.443 3.302 20 0 GGADHL O=C([O-])CCSCc1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000739753445 600363349 /nfs/dbraw/zinc/36/33/49/600363349.db2.gz JEGLKVRXVBTLAV-UHFFFAOYSA-N -2 3 383.429 3.296 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)/C=C/c2ccccc2Br)c1O ZINC000740227776 600392488 /nfs/dbraw/zinc/39/24/88/600392488.db2.gz YRBBMSQRDYUWCN-CMDGGOBGSA-N -2 3 398.234 3.266 20 0 GGADHL Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)c([O-])c1 ZINC000262819760 600485370 /nfs/dbraw/zinc/48/53/70/600485370.db2.gz PKIMMPLHCUXWLB-QGZVFWFLSA-N -2 3 382.416 3.032 20 0 GGADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCCCC(=O)[O-])cc3)ccc2O1 ZINC000736826521 600488764 /nfs/dbraw/zinc/48/87/64/600488764.db2.gz VBIISEWOSGRUNE-CYBMUJFWSA-N -2 3 391.445 3.054 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1C ZINC000737868918 600489207 /nfs/dbraw/zinc/48/92/07/600489207.db2.gz VYPPJSGNDDCIOX-UHFFFAOYSA-N -2 3 393.461 3.356 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1C(=O)[O-] ZINC000063849197 600543856 /nfs/dbraw/zinc/54/38/56/600543856.db2.gz RFVJOBKSNCSLCI-UHFFFAOYSA-N -2 3 379.434 3.119 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)cc1C(=O)[O-] ZINC000513374892 600545360 /nfs/dbraw/zinc/54/53/60/600545360.db2.gz BCKVQVWWIZATDW-UHFFFAOYSA-N -2 3 387.360 3.104 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1ncc(-c2ccccc2)o1 ZINC000736665158 600588243 /nfs/dbraw/zinc/58/82/43/600588243.db2.gz VSWRKDPACBAKAD-NSHDSACASA-N -2 3 390.392 3.218 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1ncc(-c2ccccc2)o1 ZINC000736665157 600588317 /nfs/dbraw/zinc/58/83/17/600588317.db2.gz VSWRKDPACBAKAD-LLVKDONJSA-N -2 3 390.392 3.218 20 0 GGADHL CCOC(=O)c1sc2[n-]c([C@H](C)S[C@H](C)CC(=O)[O-])nc(=O)c2c1C ZINC000737157730 600594703 /nfs/dbraw/zinc/59/47/03/600594703.db2.gz WXZHOZMDROLSHP-APPZFPTMSA-N -2 3 384.479 3.127 20 0 GGADHL Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1Cl ZINC000174994428 600625780 /nfs/dbraw/zinc/62/57/80/600625780.db2.gz MMPNSKHEBDFURS-UHFFFAOYSA-N -2 3 375.233 3.004 20 0 GGADHL CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)cc2)CC1 ZINC000192701445 600625838 /nfs/dbraw/zinc/62/58/38/600625838.db2.gz JFLGEPFNWDEYBD-UHFFFAOYSA-N -2 3 388.489 3.351 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCCCCC2)c(F)cc1Br ZINC000740086872 600632215 /nfs/dbraw/zinc/63/22/15/600632215.db2.gz BLOIXRZSQCYLNE-UHFFFAOYSA-N -2 3 394.262 3.288 20 0 GGADHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)C1 ZINC000736777589 600632750 /nfs/dbraw/zinc/63/27/50/600632750.db2.gz XTIDSUHQIKMLML-DTWKUNHWSA-N -2 3 394.262 3.143 20 0 GGADHL C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736785776 600632789 /nfs/dbraw/zinc/63/27/89/600632789.db2.gz RIHKZLWRGCYBLX-QPUJVOFHSA-N -2 3 394.262 3.143 20 0 GGADHL C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CC1 ZINC000738227874 600635249 /nfs/dbraw/zinc/63/52/49/600635249.db2.gz HTUQWPIKEJDMAS-KYZUINATSA-N -2 3 394.262 3.143 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccc(F)cc1Cl ZINC000736323533 600651261 /nfs/dbraw/zinc/65/12/61/600651261.db2.gz GSNWSYXWBUXYIC-UHFFFAOYSA-N -2 3 375.805 3.026 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1C(=O)[O-] ZINC000438770211 600686467 /nfs/dbraw/zinc/68/64/67/600686467.db2.gz JKSVNNYIPBYKKI-UHFFFAOYSA-N -2 3 389.351 3.299 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2ccccc2F)o1 ZINC000740172767 600727062 /nfs/dbraw/zinc/72/70/62/600727062.db2.gz GWXHAVQKHVUZTN-MRXNPFEDSA-N -2 3 389.404 3.379 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000827768698 600756209 /nfs/dbraw/zinc/75/62/09/600756209.db2.gz WOTZNWZYNNGGFW-JTQLQIEISA-N -2 3 378.431 3.141 20 0 GGADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C2CC2)s1 ZINC000185066482 600770390 /nfs/dbraw/zinc/77/03/90/600770390.db2.gz XSQIUIFIALMAPN-CYBMUJFWSA-N -2 3 386.882 3.233 20 0 GGADHL CCC(CC)([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000828849137 600791507 /nfs/dbraw/zinc/79/15/07/600791507.db2.gz LNIQSFKTYWVIEB-UHFFFAOYSA-N -2 3 384.679 3.024 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@H]3CCCO3)cc2)cc1C(=O)[O-] ZINC000055631610 600811798 /nfs/dbraw/zinc/81/17/98/600811798.db2.gz PUSATIPOFSUDPR-MRXNPFEDSA-N -2 3 391.445 3.052 20 0 GGADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC000516024417 600813125 /nfs/dbraw/zinc/81/31/25/600813125.db2.gz SKMFTUBMOYJFDU-UHFFFAOYSA-N -2 3 399.852 3.173 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1OCC(F)F ZINC000588634566 600814758 /nfs/dbraw/zinc/81/47/58/600814758.db2.gz ZJZSKUJACFMSNP-UHFFFAOYSA-N -2 3 385.388 3.446 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1C(=O)[O-] ZINC000832955877 600829638 /nfs/dbraw/zinc/82/96/38/600829638.db2.gz QZLSACKJVKHNNR-UHFFFAOYSA-N -2 3 378.425 3.233 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)ccc1C(=O)[O-] ZINC000506568539 600886168 /nfs/dbraw/zinc/88/61/68/600886168.db2.gz PCQLBXFNAKBYRX-UHFFFAOYSA-N -2 3 376.434 3.089 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)ccc1C(=O)[O-] ZINC000506712331 600888990 /nfs/dbraw/zinc/88/89/90/600888990.db2.gz YWYZIQVWGMZIEG-INIZCTEOSA-N -2 3 391.445 3.052 20 0 GGADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737146745 600889697 /nfs/dbraw/zinc/88/96/97/600889697.db2.gz ODGPELFFBBGOPU-UHFFFAOYSA-N -2 3 378.406 3.062 20 0 GGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c1 ZINC000740075779 600889876 /nfs/dbraw/zinc/88/98/76/600889876.db2.gz OYKHEEWGAWVNJQ-UHFFFAOYSA-N -2 3 377.809 3.025 20 0 GGADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc(OCc3ccccc3)ccn2)s1 ZINC000833232389 600891583 /nfs/dbraw/zinc/89/15/83/600891583.db2.gz QNHHLZQHJXIGFX-UHFFFAOYSA-N -2 3 398.444 3.172 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)ccc1C(=O)[O-] ZINC000506601218 600892670 /nfs/dbraw/zinc/89/26/70/600892670.db2.gz JVAQSGSTZLVJRN-UHFFFAOYSA-N -2 3 398.440 3.468 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1 ZINC000738277445 600896880 /nfs/dbraw/zinc/89/68/80/600896880.db2.gz YYCJQPVZLTWGRK-UHFFFAOYSA-N -2 3 392.502 3.047 20 0 GGADHL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)cc2)nn1 ZINC000675094174 600897316 /nfs/dbraw/zinc/89/73/16/600897316.db2.gz QKQSNKJHHDKGRG-UHFFFAOYSA-N -2 3 399.428 3.385 20 0 GGADHL Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC000832867620 600944495 /nfs/dbraw/zinc/94/44/95/600944495.db2.gz OXTBOOVDYUITMK-UHFFFAOYSA-N -2 3 386.311 3.265 20 0 GGADHL CC(C)c1ccc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000827117898 600991202 /nfs/dbraw/zinc/99/12/02/600991202.db2.gz MFQBCXCFCZOWNR-UHFFFAOYSA-N -2 3 383.416 3.307 20 0 GGADHL C[C@H](OCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000827878895 600992002 /nfs/dbraw/zinc/99/20/02/600992002.db2.gz FWRBWAMFJCOOKK-LBPRGKRZSA-N -2 3 399.415 3.109 20 0 GGADHL O=C([O-])c1ccc(OCCOC(=O)c2cc(-c3ccco3)[n-]n2)c(Cl)c1 ZINC000833322391 601098493 /nfs/dbraw/zinc/09/84/93/601098493.db2.gz NEGMNXBTAXAQTR-UHFFFAOYSA-N -2 3 376.752 3.257 20 0 GGADHL O=C([O-])c1ccc(OCCOC(=O)c2cc(-c3ccco3)n[n-]2)c(Cl)c1 ZINC000833322391 601098495 /nfs/dbraw/zinc/09/84/95/601098495.db2.gz NEGMNXBTAXAQTR-UHFFFAOYSA-N -2 3 376.752 3.257 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(OC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000645948766 601216061 /nfs/dbraw/zinc/21/60/61/601216061.db2.gz HMHOXTPLVPBTFZ-MRVPVSSYSA-N -2 3 393.339 3.224 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1C(=O)[O-] ZINC000833028190 601219927 /nfs/dbraw/zinc/21/99/27/601219927.db2.gz LIQSLZMHRJPOJG-AAEUAGOBSA-N -2 3 389.351 3.139 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2nc(-c3ccccc3)cs2)cc1C(=O)[O-] ZINC000833028920 601221188 /nfs/dbraw/zinc/22/11/88/601221188.db2.gz TZWCWAUMBXFCLE-JTQLQIEISA-N -2 3 392.458 3.449 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000566853714 601223980 /nfs/dbraw/zinc/22/39/80/601223980.db2.gz RSJNHOCLNQNYES-MAUKXSAKSA-N -2 3 393.461 3.041 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H](c2ccco2)c2ccccc2)c1F ZINC000833295197 601229878 /nfs/dbraw/zinc/22/98/78/601229878.db2.gz OMXKZLHYUPKGCU-KRWDZBQOSA-N -2 3 393.367 3.324 20 0 GGADHL C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000326772226 601231232 /nfs/dbraw/zinc/23/12/32/601231232.db2.gz MYCLFTBHNUIVFO-VIFPVBQESA-N -2 3 389.807 3.226 20 0 GGADHL CC(C)c1ccc(OCC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000827129938 601231493 /nfs/dbraw/zinc/23/14/93/601231493.db2.gz ZMHPWYHQEUBTAI-UHFFFAOYSA-N -2 3 399.415 3.144 20 0 GGADHL Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000832966622 601233005 /nfs/dbraw/zinc/23/30/05/601233005.db2.gz SXQNQMBRHBKGTP-UHFFFAOYSA-N -2 3 383.416 3.228 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cccc(Cl)c2Cl)c1F ZINC000833294902 601233165 /nfs/dbraw/zinc/23/31/65/601233165.db2.gz YZVNFOUBXKMIDJ-UHFFFAOYSA-N -2 3 396.198 3.448 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]c2c(F)cc(Br)cc2F)cc1C(=O)[O-] ZINC000833027000 601234095 /nfs/dbraw/zinc/23/40/95/601234095.db2.gz MUKDKUBZKXHLEY-UHFFFAOYSA-N -2 3 396.165 3.128 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3)o2)c1F ZINC000833294362 601235266 /nfs/dbraw/zinc/23/52/66/601235266.db2.gz RDTWWYFQKQZTLW-UHFFFAOYSA-N -2 3 393.367 3.402 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2Cc2ccccc2)c1F ZINC000833295333 601237655 /nfs/dbraw/zinc/23/76/55/601237655.db2.gz QRYIGEVODMVQLT-DZGCQCFKSA-N -2 3 395.427 3.353 20 0 GGADHL COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832220757 601238527 /nfs/dbraw/zinc/23/85/27/601238527.db2.gz FLIWGCGGUATLRY-NSHDSACASA-N -2 3 399.415 3.144 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CC2)c1F ZINC000833294796 601238898 /nfs/dbraw/zinc/23/88/98/601238898.db2.gz IHQRLMUMTSMSTM-UHFFFAOYSA-N -2 3 387.791 3.284 20 0 GGADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccc(F)cc1F ZINC000827507238 601239306 /nfs/dbraw/zinc/23/93/06/601239306.db2.gz GNZIZJZEWRHGRS-QMMMGPOBSA-N -2 3 391.342 3.023 20 0 GGADHL CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000830157974 601240634 /nfs/dbraw/zinc/24/06/34/601240634.db2.gz PUMLJUCQAUQVQF-ZJUUUORDSA-N -2 3 379.450 3.006 20 0 GGADHL O=C([O-])CCCc1nnc([N-]C(=O)c2c(F)cccc2Br)s1 ZINC000833232438 601287599 /nfs/dbraw/zinc/28/75/99/601287599.db2.gz SVYNUAGDRYNZGH-UHFFFAOYSA-N -2 3 388.218 3.099 20 0 GGADHL Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000007052716 601318424 /nfs/dbraw/zinc/31/84/24/601318424.db2.gz IXFSUAZNDKQKKU-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Oc1cccc(C)c1 ZINC000828883272 601399831 /nfs/dbraw/zinc/39/98/31/601399831.db2.gz BRPBFHBKVPBIMT-LBPRGKRZSA-N -2 3 399.415 3.107 20 0 GGADHL CCCCC[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000829346683 601404413 /nfs/dbraw/zinc/40/44/13/601404413.db2.gz CJSMUQHOLVFBJI-SNVBAGLBSA-N -2 3 384.317 3.131 20 0 GGADHL CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000830158644 601443879 /nfs/dbraw/zinc/44/38/79/601443879.db2.gz YRGXAMXDHLALAO-WDEREUQCSA-N -2 3 379.450 3.006 20 0 GGADHL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000833344554 601486698 /nfs/dbraw/zinc/48/66/98/601486698.db2.gz CPIASWOQPZXLJU-UHFFFAOYSA-N -2 3 383.159 3.166 20 0 GGADHL Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)cc2)n1 ZINC000507947637 601558455 /nfs/dbraw/zinc/55/84/55/601558455.db2.gz DZJQCXOVGUQTPA-UHFFFAOYSA-N -2 3 399.428 3.385 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCCCC2)s1 ZINC000832859391 601596617 /nfs/dbraw/zinc/59/66/17/601596617.db2.gz ZOBCTZRRGAPNPI-NSHDSACASA-N -2 3 396.328 3.131 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCCCC2)s1 ZINC000832859390 601596740 /nfs/dbraw/zinc/59/67/40/601596740.db2.gz ZOBCTZRRGAPNPI-LLVKDONJSA-N -2 3 396.328 3.131 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccc(F)c2)o1 ZINC000833324295 601596862 /nfs/dbraw/zinc/59/68/62/601596862.db2.gz BNDGUHGJCYOFNT-QGZVFWFLSA-N -2 3 375.377 3.185 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)ccc1O ZINC000833306195 601618233 /nfs/dbraw/zinc/61/82/33/601618233.db2.gz DDOMGGFFNOFXJU-UHFFFAOYSA-N -2 3 389.351 3.386 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)ccc1Cl ZINC000032595396 601827370 /nfs/dbraw/zinc/82/73/70/601827370.db2.gz FEUVMNZZENYGLG-UHFFFAOYSA-N -2 3 377.809 3.025 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)ccc1Cl ZINC000748647909 601829944 /nfs/dbraw/zinc/82/99/44/601829944.db2.gz PCIKMNUZQZIQMB-UHFFFAOYSA-N -2 3 391.779 3.483 20 0 GGADHL CN(Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1)C(=O)[O-] ZINC000830840200 601830621 /nfs/dbraw/zinc/83/06/21/601830621.db2.gz LCNWSPJSLBKQCW-UHFFFAOYSA-N -2 3 390.461 3.311 20 0 GGADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000833294970 601862235 /nfs/dbraw/zinc/86/22/35/601862235.db2.gz PIRHUONKHZGWMH-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000232210194 601864472 /nfs/dbraw/zinc/86/44/72/601864472.db2.gz WJRORFHPJVRNJT-UHFFFAOYSA-N -2 3 380.216 3.149 20 0 GGADHL C[C@@]1(C(=O)[O-])CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C1 ZINC000828028850 601915628 /nfs/dbraw/zinc/91/56/28/601915628.db2.gz FKKAEMTZUMPXOS-LJQANCHMSA-N -2 3 387.436 3.087 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000832919705 601929578 /nfs/dbraw/zinc/92/95/78/601929578.db2.gz UIFUAJHJEHCIJP-UHFFFAOYSA-N -2 3 393.371 3.162 20 0 GGADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000484498173 601986764 /nfs/dbraw/zinc/98/67/64/601986764.db2.gz DJYRIXBYRNLMRM-UHFFFAOYSA-N -2 3 389.351 3.056 20 0 GGADHL O=C([O-])Nc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc(C(F)(F)F)c1 ZINC000833283822 601986831 /nfs/dbraw/zinc/98/68/31/601986831.db2.gz MROKQURSWZLTQX-UHFFFAOYSA-N -2 3 383.208 3.185 20 0 GGADHL O=C([O-])Nc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc(C(F)(F)F)c1 ZINC000833283822 601986833 /nfs/dbraw/zinc/98/68/33/601986833.db2.gz MROKQURSWZLTQX-UHFFFAOYSA-N -2 3 383.208 3.185 20 0 GGADHL Cc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000237339624 602141491 /nfs/dbraw/zinc/14/14/91/602141491.db2.gz JXUVKVZQVVGCNH-SECBINFHSA-N -2 3 388.239 3.088 20 0 GGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccccc1 ZINC000551237217 602141655 /nfs/dbraw/zinc/14/16/55/602141655.db2.gz CRXQECQBCMCJHE-OAHLLOKOSA-N -2 3 377.393 3.375 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)c2ccccn2)o1 ZINC000833324534 602175332 /nfs/dbraw/zinc/17/53/32/602175332.db2.gz GMQAMELASQBCRI-INIZCTEOSA-N -2 3 392.820 3.094 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC3(CCCC3)Oc3ccccc32)cc1C(=O)[O-] ZINC000833028723 602222560 /nfs/dbraw/zinc/22/25/60/602222560.db2.gz PBILIHFOHCLRTG-OAHLLOKOSA-N -2 3 391.445 3.401 20 0 GGADHL Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(OCCCC(=O)[O-])cc3)c[n-]c12 ZINC000832890155 604272914 /nfs/dbraw/zinc/27/29/14/604272914.db2.gz QLVVHHBVZCWLJL-UHFFFAOYSA-N -2 3 398.390 3.472 20 0 GGADHL Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)c[n-]c12 ZINC000832888690 604286568 /nfs/dbraw/zinc/28/65/68/604286568.db2.gz ZOSBLKXFWMQELD-GFCCVEGCSA-N -2 3 380.375 3.194 20 0 GGADHL O=C([O-])c1cc(NC(=O)NCc2ccc([O-])c(Br)c2)ccc1F ZINC000833145634 604325793 /nfs/dbraw/zinc/32/57/93/604325793.db2.gz SVEAJUSAYFZEIX-UHFFFAOYSA-N -2 3 383.173 3.314 20 0 GGADHL COc1ccccc1[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1ccco1 ZINC000832596319 604363874 /nfs/dbraw/zinc/36/38/74/604363874.db2.gz PJNBQWZBAOQVJM-MRXNPFEDSA-N -2 3 393.442 3.116 20 0 GGADHL O=C([O-])c1cccc(NC2CCN(C(=O)NCc3ccc([O-])c(F)c3)CC2)c1 ZINC000833331525 604591342 /nfs/dbraw/zinc/59/13/42/604591342.db2.gz DAWUDVJKSOOXEH-UHFFFAOYSA-N -2 3 387.411 3.016 20 0 GGADHL CCCc1c(C(=O)NCc2ccc([O-])c(Br)c2)[nH]c(C)c1C(=O)[O-] ZINC000829555376 604712575 /nfs/dbraw/zinc/71/25/75/604712575.db2.gz CQAOQLDRMBKVEV-UHFFFAOYSA-N -2 3 395.253 3.372 20 0 GGADHL O=C([O-])c1ccc(CCC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000833102165 604713321 /nfs/dbraw/zinc/71/33/21/604713321.db2.gz MVUNRJQPEGNNJM-UHFFFAOYSA-N -2 3 378.222 3.102 20 0 GGADHL CC(C)n1ncc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])c(F)cc3F)ccc21 ZINC000827201216 604766652 /nfs/dbraw/zinc/76/66/52/604766652.db2.gz PRFPPNJUMLVEEJ-UHFFFAOYSA-N -2 3 395.387 3.394 20 0 GGADHL O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl ZINC000833259434 604810225 /nfs/dbraw/zinc/81/02/25/604810225.db2.gz OMGGORPXZLMKNF-UHFFFAOYSA-N -2 3 381.837 3.093 20 0 GGADHL Cc1ccc(Br)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000316851156 604943231 /nfs/dbraw/zinc/94/32/31/604943231.db2.gz RWHYYGGKYGSUOJ-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1C(=O)[O-] ZINC000388534399 604943290 /nfs/dbraw/zinc/94/32/90/604943290.db2.gz BBOPYPQIGYDOES-UHFFFAOYSA-N -2 3 388.239 3.466 20 0 GGADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000262908927 604957827 /nfs/dbraw/zinc/95/78/27/604957827.db2.gz HHIMTRINHJWOGJ-UHFFFAOYSA-N -2 3 393.827 3.157 20 0 GGADHL CN1CCCc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)ccc21 ZINC000833698168 604990339 /nfs/dbraw/zinc/99/03/39/604990339.db2.gz YYFZHGFXRMYBLW-UHFFFAOYSA-N -2 3 380.853 3.221 20 0 GGADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(F)c1 ZINC000479331709 605028431 /nfs/dbraw/zinc/02/84/31/605028431.db2.gz BDGFYBCFFYJQDQ-UHFFFAOYSA-N -2 3 395.408 3.280 20 0 GGADHL COc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc(OC)c1[O-] ZINC000833726860 605051694 /nfs/dbraw/zinc/05/16/94/605051694.db2.gz KUBRYNDPOLTOLK-CYBMUJFWSA-N -2 3 379.796 3.009 20 0 GGADHL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1C ZINC000833397914 605184598 /nfs/dbraw/zinc/18/45/98/605184598.db2.gz QHGBHISIRHTXJW-UHFFFAOYSA-N -2 3 376.434 3.069 20 0 GGADHL C[C@]1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCC[C@H]1C(=O)[O-] ZINC000833573008 605246928 /nfs/dbraw/zinc/24/69/28/605246928.db2.gz WVHPZBVADVMJRB-HZMBPMFUSA-N -2 3 383.363 3.156 20 0 GGADHL CC(C)(CC(=O)[O-])CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000833451575 605710353 /nfs/dbraw/zinc/71/03/53/605710353.db2.gz PZPQXRUWFKDUJP-UHFFFAOYSA-N -2 3 396.871 3.114 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)o1 ZINC000826292890 608293134 /nfs/dbraw/zinc/29/31/34/608293134.db2.gz QVLYGNMPIIVWJM-UHFFFAOYSA-N -2 3 397.416 3.361 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)o1 ZINC000826292890 608293137 /nfs/dbraw/zinc/29/31/37/608293137.db2.gz QVLYGNMPIIVWJM-UHFFFAOYSA-N -2 3 397.416 3.361 20 0 GGADHL Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826295910 608307223 /nfs/dbraw/zinc/30/72/23/608307223.db2.gz CPURZZDPMWIFRO-UHFFFAOYSA-N -2 3 375.429 3.238 20 0 GGADHL Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826295910 608307224 /nfs/dbraw/zinc/30/72/24/608307224.db2.gz CPURZZDPMWIFRO-UHFFFAOYSA-N -2 3 375.429 3.238 20 0 GGADHL CSc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826231504 609524162 /nfs/dbraw/zinc/52/41/62/609524162.db2.gz NTZUTIQZMOXAGQ-UHFFFAOYSA-N -2 3 381.870 3.043 20 0 GGADHL CSc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826231504 609524165 /nfs/dbraw/zinc/52/41/65/609524165.db2.gz NTZUTIQZMOXAGQ-UHFFFAOYSA-N -2 3 381.870 3.043 20 0 GGADHL CCCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000825342858 609526124 /nfs/dbraw/zinc/52/61/24/609526124.db2.gz XGHPXSIIXYVJMC-UHFFFAOYSA-N -2 3 393.856 3.110 20 0 GGADHL CCCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825342858 609526125 /nfs/dbraw/zinc/52/61/25/609526125.db2.gz XGHPXSIIXYVJMC-UHFFFAOYSA-N -2 3 393.856 3.110 20 0 GGADHL O=S(=O)([N-]c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000003082439 1398326666 /nfs/dbraw/zinc/32/66/66/1398326666.db2.gz KIDCUTMVFBTRSO-UHFFFAOYSA-N -2 3 388.470 3.288 20 0 GGADHL O=C([N-][N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1F ZINC000016148666 1399215320 /nfs/dbraw/zinc/21/53/20/1399215320.db2.gz LGTUUMMNOIMXCO-UHFFFAOYSA-N -2 3 396.749 3.121 20 0 GGADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000055581660 1407011879 /nfs/dbraw/zinc/01/18/79/1407011879.db2.gz SPRMKLRFAGZFKH-UHFFFAOYSA-N -3 3 381.381 3.146 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1C(=O)[O-] ZINC000055583294 1407012254 /nfs/dbraw/zinc/01/22/54/1407012254.db2.gz HGHLTYWOEWVJHU-UHFFFAOYSA-N -2 3 388.445 3.151 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(F)ccc3F)c2)n1 ZINC000055621117 1407027031 /nfs/dbraw/zinc/02/70/31/1407027031.db2.gz LJFKRKRPAUZLKW-UHFFFAOYSA-N -2 3 391.399 3.078 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(C(C)=O)cc3)c2)n1 ZINC000055621161 1407027676 /nfs/dbraw/zinc/02/76/76/1407027676.db2.gz VDPWMCVNQLGEIQ-UHFFFAOYSA-N -2 3 397.456 3.003 20 0 GGADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C2CCCC2)c1 ZINC000022196758 1399443845 /nfs/dbraw/zinc/44/38/45/1399443845.db2.gz SDVCYGSTAIUUNC-UHFFFAOYSA-N -2 3 390.461 3.330 20 0 GGADHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)ccc1[O-] ZINC000024102203 1399604233 /nfs/dbraw/zinc/60/42/33/1399604233.db2.gz ZTIHZOAOKCJCBD-UHFFFAOYSA-N -2 3 392.389 3.143 20 0 GGADHL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000042794161 1400417097 /nfs/dbraw/zinc/41/70/97/1400417097.db2.gz LDEWMGGSVCNGDQ-UHFFFAOYSA-N -2 3 376.434 3.151 20 0 GGADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)ccc1C ZINC000042796512 1400417346 /nfs/dbraw/zinc/41/73/46/1400417346.db2.gz DZAMTHNNRAKGPS-UHFFFAOYSA-N -2 3 376.434 3.069 20 0 GGADHL COc1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc(C(=O)[O-])c1OC ZINC000045947043 1404249317 /nfs/dbraw/zinc/24/93/17/1404249317.db2.gz ZGOUCBYAKDTINF-UHFFFAOYSA-N -2 3 379.434 3.326 20 0 GGADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1Cl ZINC000045946927 1404249455 /nfs/dbraw/zinc/24/94/55/1404249455.db2.gz JQAGKEYZFDPCCJ-UHFFFAOYSA-N -2 3 396.852 3.414 20 0 GGADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000052025343 1405904151 /nfs/dbraw/zinc/90/41/51/1405904151.db2.gz VVDWLPMKZOBWSE-UHFFFAOYSA-N -2 3 397.424 3.049 20 0 GGADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC000057123685 1407527053 /nfs/dbraw/zinc/52/70/53/1407527053.db2.gz WCPDFLJOGNUPFJ-LLVKDONJSA-N -3 3 393.417 3.061 20 0 GGADHL CSCCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1 ZINC000067899522 1409252082 /nfs/dbraw/zinc/25/20/82/1409252082.db2.gz SBOCYIPEFJXTKT-UHFFFAOYSA-N -2 3 395.502 3.165 20 0 GGADHL C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000094083729 1410302898 /nfs/dbraw/zinc/30/28/98/1410302898.db2.gz HZQHGKCDCCXNEG-GFCCVEGCSA-N -2 3 394.880 3.328 20 0 GGADHL O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)Nc1ccncc1[O-] ZINC000109889475 1411816795 /nfs/dbraw/zinc/81/67/95/1411816795.db2.gz RAZFGXIRRAHEFB-UHFFFAOYSA-N -2 3 384.461 3.359 20 0 GGADHL O=C(CCCc1ccccn1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826406804 1428639810 /nfs/dbraw/zinc/63/98/10/1428639810.db2.gz NVZHNCBUTUBKBD-UHFFFAOYSA-N -2 3 391.460 3.347 20 0 GGADHL O=C(CCCc1ccccn1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826406804 1428639813 /nfs/dbraw/zinc/63/98/13/1428639813.db2.gz NVZHNCBUTUBKBD-UHFFFAOYSA-N -2 3 391.460 3.347 20 0 GGADHL Cc1cncc(C=CC(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826319368 1429047325 /nfs/dbraw/zinc/04/73/25/1429047325.db2.gz ZOSJCZPJBYUZIW-AATRIKPKSA-N -2 3 389.444 3.346 20 0 GGADHL Cc1cncc(C=CC(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1 ZINC000826319368 1429047332 /nfs/dbraw/zinc/04/73/32/1429047332.db2.gz ZOSJCZPJBYUZIW-AATRIKPKSA-N -2 3 389.444 3.346 20 0 GGADHL COc1ccc(Cl)cc1-n1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cn1 ZINC000131398253 1416551397 /nfs/dbraw/zinc/55/13/97/1416551397.db2.gz BKCJNLASMTYYKL-UHFFFAOYSA-N -2 3 397.815 3.180 20 0 GGADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1F ZINC000135326190 1417207569 /nfs/dbraw/zinc/20/75/69/1417207569.db2.gz HNBBLYLKFVPECK-UHFFFAOYSA-N -2 3 394.449 3.151 20 0 GGADHL CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000143967325 1417653512 /nfs/dbraw/zinc/65/35/12/1417653512.db2.gz UZAPEIDARPCHPM-UHFFFAOYSA-N -2 3 398.868 3.034 20 0 GGADHL O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000179006572 1429241592 /nfs/dbraw/zinc/24/15/92/1429241592.db2.gz HWXNLUQXSJHPTK-UHFFFAOYSA-N -2 3 392.814 3.381 20 0 GGADHL O=C([N-]c1nccs1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000738113133 1429441822 /nfs/dbraw/zinc/44/18/22/1429441822.db2.gz VHTJIHQTFTURIO-UHFFFAOYSA-N -2 3 383.462 3.373 20 0 GGADHL O=C([N-]c1nccs1)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000738113133 1429441827 /nfs/dbraw/zinc/44/18/27/1429441827.db2.gz VHTJIHQTFTURIO-UHFFFAOYSA-N -2 3 383.462 3.373 20 0 GGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1C(=O)[O-] ZINC000152954056 1422306510 /nfs/dbraw/zinc/30/65/10/1422306510.db2.gz OVQGJVQXUYDWBC-UHFFFAOYSA-N -2 3 392.452 3.487 20 0 GGADHL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)cc2=O)cc1 ZINC000153713162 1422716136 /nfs/dbraw/zinc/71/61/36/1422716136.db2.gz LUWHZSZYYBQZML-UHFFFAOYSA-N -2 3 377.322 3.451 20 0 GGADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]c1nnc(C=Cc2ccco2)s1 ZINC000826251115 1423356172 /nfs/dbraw/zinc/35/61/72/1423356172.db2.gz FPARLLGROGXHKO-FNORWQNLSA-N -2 3 379.405 3.042 20 0 GGADHL CC(C)C1CN(C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000824223682 1423375668 /nfs/dbraw/zinc/37/56/68/1423375668.db2.gz JYGXQEGAQLGBCB-UHFFFAOYSA-N -2 3 383.481 3.034 20 0 GGADHL CC(C)C1CN(C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000824223682 1423375674 /nfs/dbraw/zinc/37/56/74/1423375674.db2.gz JYGXQEGAQLGBCB-UHFFFAOYSA-N -2 3 383.481 3.034 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c(C)c1C(=O)[O-] ZINC000156289704 1423760009 /nfs/dbraw/zinc/76/00/09/1423760009.db2.gz XOKQPCAGZUCMDF-UHFFFAOYSA-N -2 3 385.445 3.047 20 0 GGADHL O=S(=O)([N-]c1ccc(OC2CCCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738343275 1424075584 /nfs/dbraw/zinc/07/55/84/1424075584.db2.gz WBAYIYBJADNUBK-UHFFFAOYSA-N -2 3 399.476 3.379 20 0 GGADHL O=S(=O)([N-]c1ccc(OC2CCCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738343275 1424075593 /nfs/dbraw/zinc/07/55/93/1424075593.db2.gz WBAYIYBJADNUBK-UHFFFAOYSA-N -2 3 399.476 3.379 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1F ZINC000180022948 1429699214 /nfs/dbraw/zinc/69/92/14/1429699214.db2.gz ANGVKZLWJOMREB-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC[C@H]1CCN(C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000820988588 1424229169 /nfs/dbraw/zinc/22/91/69/1424229169.db2.gz GQQGSFXXLNWJDM-LBPRGKRZSA-N -2 3 383.481 3.178 20 0 GGADHL CC[C@H]1CCN(C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000820988588 1424229177 /nfs/dbraw/zinc/22/91/77/1424229177.db2.gz GQQGSFXXLNWJDM-LBPRGKRZSA-N -2 3 383.481 3.178 20 0 GGADHL C[C@@H]1CCN(C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)[C@H]1C ZINC000820717690 1424871252 /nfs/dbraw/zinc/87/12/52/1424871252.db2.gz UJNMZHLBCVYNSU-NEPJUHHUSA-N -2 3 383.481 3.176 20 0 GGADHL C[C@@H]1CCN(C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)[C@H]1C ZINC000820717690 1424871267 /nfs/dbraw/zinc/87/12/67/1424871267.db2.gz UJNMZHLBCVYNSU-NEPJUHHUSA-N -2 3 383.481 3.176 20 0 GGADHL O=S(=O)([N-]c1ccc(CCC(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823589093 1425031367 /nfs/dbraw/zinc/03/13/67/1425031367.db2.gz MVGRIWQAFIGTCJ-UHFFFAOYSA-N -2 3 397.382 3.162 20 0 GGADHL O=S(=O)([N-]c1ccc(CCC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823589093 1425031370 /nfs/dbraw/zinc/03/13/70/1425031370.db2.gz MVGRIWQAFIGTCJ-UHFFFAOYSA-N -2 3 397.382 3.162 20 0 GGADHL Cc1nc(CCC(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cs1 ZINC000826324727 1425293447 /nfs/dbraw/zinc/29/34/47/1425293447.db2.gz CNCLBLGQPFECFX-UHFFFAOYSA-N -2 3 397.489 3.326 20 0 GGADHL Cc1nc(CCC(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cs1 ZINC000826324727 1425293450 /nfs/dbraw/zinc/29/34/50/1425293450.db2.gz CNCLBLGQPFECFX-UHFFFAOYSA-N -2 3 397.489 3.326 20 0 GGADHL C[C@@H](C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccnc1 ZINC000824052348 1425330032 /nfs/dbraw/zinc/33/00/32/1425330032.db2.gz NOCMLQVFRQNULZ-LLVKDONJSA-N -2 3 377.433 3.127 20 0 GGADHL C[C@@H](C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccnc1 ZINC000824052348 1425330041 /nfs/dbraw/zinc/33/00/41/1425330041.db2.gz NOCMLQVFRQNULZ-LLVKDONJSA-N -2 3 377.433 3.127 20 0 GGADHL C[C@H](CC(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)n1cccc1 ZINC000824384988 1425916073 /nfs/dbraw/zinc/91/60/73/1425916073.db2.gz JHLWRPDOQANYSR-GFCCVEGCSA-N -2 3 379.449 3.382 20 0 GGADHL C[C@H](CC(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)n1cccc1 ZINC000824384988 1425916074 /nfs/dbraw/zinc/91/60/74/1425916074.db2.gz JHLWRPDOQANYSR-GFCCVEGCSA-N -2 3 379.449 3.382 20 0 GGADHL CCOc1ccc2nc([N-]C(=O)Cc3cccc(-c4nnn[n-]4)c3)sc2c1 ZINC000821427059 1425933590 /nfs/dbraw/zinc/93/35/90/1425933590.db2.gz MWHGTSQGQIAQRT-UHFFFAOYSA-N -2 3 380.433 3.056 20 0 GGADHL CCOc1ccc2nc([N-]C(=O)Cc3cccc(-c4nn[n-]n4)c3)sc2c1 ZINC000821427059 1425933592 /nfs/dbraw/zinc/93/35/92/1425933592.db2.gz MWHGTSQGQIAQRT-UHFFFAOYSA-N -2 3 380.433 3.056 20 0 GGADHL C[C@@H]1CN(C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C[C@H]1C ZINC000820742988 1426082408 /nfs/dbraw/zinc/08/24/08/1426082408.db2.gz OVIMRJYEVQSSFR-VXGBXAGGSA-N -2 3 383.481 3.034 20 0 GGADHL C[C@@H]1CN(C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C[C@H]1C ZINC000820742988 1426082413 /nfs/dbraw/zinc/08/24/13/1426082413.db2.gz OVIMRJYEVQSSFR-VXGBXAGGSA-N -2 3 383.481 3.034 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)N1CC[C@@H](C2CC2)C1 ZINC000826460090 1426142726 /nfs/dbraw/zinc/14/27/26/1426142726.db2.gz MNWFWLCOPNIEIW-OAHLLOKOSA-N -2 3 395.492 3.178 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)N1CC[C@@H](C2CC2)C1 ZINC000826460090 1426142747 /nfs/dbraw/zinc/14/27/47/1426142747.db2.gz MNWFWLCOPNIEIW-OAHLLOKOSA-N -2 3 395.492 3.178 20 0 GGADHL O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492862 1426670003 /nfs/dbraw/zinc/67/00/03/1426670003.db2.gz IOZAHNNRNXITFE-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492862 1426670007 /nfs/dbraw/zinc/67/00/07/1426670007.db2.gz IOZAHNNRNXITFE-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL CCCc1cnc([N-]C(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)s1 ZINC000825348541 1426854032 /nfs/dbraw/zinc/85/40/32/1426854032.db2.gz PKWKQOXMEDLCHC-UHFFFAOYSA-N -2 3 399.480 3.023 20 0 GGADHL CCCc1cnc([N-]C(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)s1 ZINC000825348541 1426854045 /nfs/dbraw/zinc/85/40/45/1426854045.db2.gz PKWKQOXMEDLCHC-UHFFFAOYSA-N -2 3 399.480 3.023 20 0 GGADHL O=C(CC[C@@H]1CCCCO1)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737826124 1427087625 /nfs/dbraw/zinc/08/76/25/1427087625.db2.gz QBSZGBGVNIDLGU-HNNXBMFYSA-N -2 3 398.492 3.202 20 0 GGADHL O=C(CC[C@@H]1CCCCO1)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737826124 1427087632 /nfs/dbraw/zinc/08/76/32/1427087632.db2.gz QBSZGBGVNIDLGU-HNNXBMFYSA-N -2 3 398.492 3.202 20 0 GGADHL CCCNc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000736487501 1427151129 /nfs/dbraw/zinc/15/11/29/1427151129.db2.gz GXUQHYDEUFVNLB-UHFFFAOYSA-N -2 3 386.481 3.052 20 0 GGADHL CS[C@H](C)CCC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826226079 1427161417 /nfs/dbraw/zinc/16/14/17/1427161417.db2.gz ROSAXCPGNBZQGK-LLVKDONJSA-N -2 3 388.522 3.384 20 0 GGADHL CS[C@H](C)CCC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826226079 1427161420 /nfs/dbraw/zinc/16/14/20/1427161420.db2.gz ROSAXCPGNBZQGK-LLVKDONJSA-N -2 3 388.522 3.384 20 0 GGADHL CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736700015 1427308515 /nfs/dbraw/zinc/30/85/15/1427308515.db2.gz RTAIOGJSDSESQT-UHFFFAOYSA-N -2 3 391.884 3.446 20 0 GGADHL CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736700015 1427308520 /nfs/dbraw/zinc/30/85/20/1427308520.db2.gz RTAIOGJSDSESQT-UHFFFAOYSA-N -2 3 391.884 3.446 20 0 GGADHL C[C@H](CC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)n1cccc1 ZINC000735978630 1427326911 /nfs/dbraw/zinc/32/69/11/1427326911.db2.gz YEOPFZUAANYAQT-CYBMUJFWSA-N -2 3 393.476 3.305 20 0 GGADHL C[C@H](CC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)n1cccc1 ZINC000735978630 1427326916 /nfs/dbraw/zinc/32/69/16/1427326916.db2.gz YEOPFZUAANYAQT-CYBMUJFWSA-N -2 3 393.476 3.305 20 0 GGADHL C[C@H]1CC[C@@H](CCC(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)O1 ZINC000820690964 1427344450 /nfs/dbraw/zinc/34/44/50/1427344450.db2.gz UNOVAVIKOGJZMY-WFASDCNBSA-N -2 3 398.492 3.200 20 0 GGADHL C[C@H]1CC[C@@H](CCC(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)O1 ZINC000820690964 1427344454 /nfs/dbraw/zinc/34/44/54/1427344454.db2.gz UNOVAVIKOGJZMY-WFASDCNBSA-N -2 3 398.492 3.200 20 0 GGADHL O=C(CCCSc1ccc(Cl)cc1)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000822958747 1427977380 /nfs/dbraw/zinc/97/73/80/1427977380.db2.gz FPKAVWDMRPAZFC-UHFFFAOYSA-N -2 3 380.886 3.488 20 0 GGADHL O=C(CCCSc1ccc(Cl)cc1)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822958747 1427977383 /nfs/dbraw/zinc/97/73/83/1427977383.db2.gz FPKAVWDMRPAZFC-UHFFFAOYSA-N -2 3 380.886 3.488 20 0 GGADHL C[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824470603 1428161300 /nfs/dbraw/zinc/16/13/00/1428161300.db2.gz JYLMQKUXSUMVMO-SECBINFHSA-N -2 3 379.317 3.114 20 0 GGADHL Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1cncc([O-])c1 ZINC000737279246 1430116506 /nfs/dbraw/zinc/11/65/06/1430116506.db2.gz IDULRXAWXJVRIT-UHFFFAOYSA-N -2 3 388.387 3.320 20 0 GGADHL Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)c1cncc([O-])c1 ZINC000737279246 1430116512 /nfs/dbraw/zinc/11/65/12/1430116512.db2.gz IDULRXAWXJVRIT-UHFFFAOYSA-N -2 3 388.387 3.320 20 0 GGADHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)c1nccs1 ZINC000184941542 1431027438 /nfs/dbraw/zinc/02/74/38/1431027438.db2.gz WZGDMARNUOXHEW-UHFFFAOYSA-N -2 3 395.289 3.362 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3c(C)cccc3F)c2)n1 ZINC000186950915 1431575038 /nfs/dbraw/zinc/57/50/38/1431575038.db2.gz UEHGFQDLGSHYGT-UHFFFAOYSA-N -2 3 387.436 3.248 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)cc(C(=O)[O-])c1C ZINC000190370787 1432368476 /nfs/dbraw/zinc/36/84/76/1432368476.db2.gz AXTBQEWTMIEOSV-UHFFFAOYSA-N -2 3 385.445 3.297 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c(C)c1C(=O)[O-] ZINC000270096273 1434702476 /nfs/dbraw/zinc/70/24/76/1434702476.db2.gz VDAWASWLBSSXIB-UHFFFAOYSA-N -2 3 388.445 3.151 20 0 GGADHL CSc1cc2c(cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1)OCCO2 ZINC000282161784 1435836867 /nfs/dbraw/zinc/83/68/67/1435836867.db2.gz NCQNPCKEZNUBEM-HWKANZROSA-N -2 3 388.445 3.171 20 0 GGADHL O=C(Cc1c(F)cccc1F)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826421473 1441479815 /nfs/dbraw/zinc/47/98/15/1441479815.db2.gz JQETXXNECAYSKS-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL O=C(Cc1c(F)cccc1F)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826421473 1441479817 /nfs/dbraw/zinc/47/98/17/1441479817.db2.gz JQETXXNECAYSKS-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)[C@H]1Cc2ccccc21 ZINC000738205794 1441683340 /nfs/dbraw/zinc/68/33/40/1441683340.db2.gz DFHYIYGAEHYYTO-KRWDZBQOSA-N -2 3 388.456 3.192 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)[C@H]1Cc2ccccc21 ZINC000738205794 1441683342 /nfs/dbraw/zinc/68/33/42/1441683342.db2.gz DFHYIYGAEHYYTO-KRWDZBQOSA-N -2 3 388.456 3.192 20 0 GGADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1Cl)c1ccc(Cl)cc1F ZINC000823583633 1441799858 /nfs/dbraw/zinc/79/98/58/1441799858.db2.gz WJAZMOGHOBEYCM-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1cc(-c2nnn[n-]2)ccc1Cl)c1ccc(Cl)cc1F ZINC000823583633 1441799861 /nfs/dbraw/zinc/79/98/61/1441799861.db2.gz WJAZMOGHOBEYCM-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000735735184 1441906921 /nfs/dbraw/zinc/90/69/21/1441906921.db2.gz LQYKKVXQZOXLEA-MRXNPFEDSA-N -2 3 387.827 3.268 20 0 GGADHL CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000735735184 1441906922 /nfs/dbraw/zinc/90/69/22/1441906922.db2.gz LQYKKVXQZOXLEA-MRXNPFEDSA-N -2 3 387.827 3.268 20 0 GGADHL Cc1nc(CC(C)C)c([N-]C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822437294 1441999964 /nfs/dbraw/zinc/99/99/64/1441999964.db2.gz YGCXJDGOFHDYGY-UHFFFAOYSA-N -2 3 385.497 3.494 20 0 GGADHL Cc1nc(CC(C)C)c([N-]C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822437294 1441999966 /nfs/dbraw/zinc/99/99/66/1441999966.db2.gz YGCXJDGOFHDYGY-UHFFFAOYSA-N -2 3 385.497 3.494 20 0 GGADHL C[C@@H]1CC[C@@H](CCC(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)O1 ZINC000824906475 1442110736 /nfs/dbraw/zinc/11/07/36/1442110736.db2.gz BXHFLAHPGWLTNB-RISCZKNCSA-N -2 3 384.465 3.276 20 0 GGADHL C[C@@H]1CC[C@@H](CCC(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)O1 ZINC000824906475 1442110740 /nfs/dbraw/zinc/11/07/40/1442110740.db2.gz BXHFLAHPGWLTNB-RISCZKNCSA-N -2 3 384.465 3.276 20 0 GGADHL O=C([N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C1(C(F)(F)F)CC1 ZINC000826459406 1442230991 /nfs/dbraw/zinc/23/09/91/1442230991.db2.gz IOYXMBHYMMUOAM-UHFFFAOYSA-N -2 3 380.355 3.271 20 0 GGADHL CCO[C@H](CC(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(C)C ZINC000825576604 1443189440 /nfs/dbraw/zinc/18/94/40/1443189440.db2.gz LPXIBBGSLOCNHD-OAHLLOKOSA-N -2 3 386.481 3.380 20 0 GGADHL CCO[C@H](CC(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(C)C ZINC000825576604 1443189443 /nfs/dbraw/zinc/18/94/43/1443189443.db2.gz LPXIBBGSLOCNHD-OAHLLOKOSA-N -2 3 386.481 3.380 20 0 GGADHL C[C@@H](NC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C1CCC1 ZINC000824506200 1443376245 /nfs/dbraw/zinc/37/62/45/1443376245.db2.gz MNXJVKDSOWJTBZ-LLVKDONJSA-N -2 3 383.481 3.224 20 0 GGADHL C[C@@H](NC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C1CCC1 ZINC000824506200 1443376248 /nfs/dbraw/zinc/37/62/48/1443376248.db2.gz MNXJVKDSOWJTBZ-LLVKDONJSA-N -2 3 383.481 3.224 20 0 GGADHL O=C(CCc1nccs1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826408942 1443380151 /nfs/dbraw/zinc/38/01/51/1443380151.db2.gz ATUGZNOFLKGDEQ-UHFFFAOYSA-N -2 3 383.462 3.018 20 0 GGADHL O=C(CCc1nccs1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826408942 1443380154 /nfs/dbraw/zinc/38/01/54/1443380154.db2.gz ATUGZNOFLKGDEQ-UHFFFAOYSA-N -2 3 383.462 3.018 20 0 GGADHL O=C([N-]c1nc(-c2ccccc2)ns1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826459961 1443405548 /nfs/dbraw/zinc/40/55/48/1443405548.db2.gz HPQPXGNTNLBRPM-UHFFFAOYSA-N -2 3 383.824 3.291 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)ccc1OC(C)C ZINC000737281646 1443660301 /nfs/dbraw/zinc/66/03/01/1443660301.db2.gz VEPGOCYEKBXJKX-UHFFFAOYSA-N -2 3 387.465 3.072 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)ccc1OC(C)C ZINC000737281646 1443660304 /nfs/dbraw/zinc/66/03/04/1443660304.db2.gz VEPGOCYEKBXJKX-UHFFFAOYSA-N -2 3 387.465 3.072 20 0 GGADHL C[C@@H](CC(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)n1cccc1 ZINC000824384989 1443901686 /nfs/dbraw/zinc/90/16/86/1443901686.db2.gz JHLWRPDOQANYSR-LBPRGKRZSA-N -2 3 379.449 3.382 20 0 GGADHL C[C@@H](CC(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)n1cccc1 ZINC000824384989 1443901688 /nfs/dbraw/zinc/90/16/88/1443901688.db2.gz JHLWRPDOQANYSR-LBPRGKRZSA-N -2 3 379.449 3.382 20 0 GGADHL O=C(CC[C@H]1CCCCO1)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737823725 1444020164 /nfs/dbraw/zinc/02/01/64/1444020164.db2.gz ACUBQDFIUJSINA-CQSZACIVSA-N -2 3 384.465 3.278 20 0 GGADHL O=C(CC[C@H]1CCCCO1)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737823725 1444020169 /nfs/dbraw/zinc/02/01/69/1444020169.db2.gz ACUBQDFIUJSINA-CQSZACIVSA-N -2 3 384.465 3.278 20 0 GGADHL C[C@@H]1C[C@@H](C)N(C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000736230398 1446141736 /nfs/dbraw/zinc/14/17/36/1446141736.db2.gz TYBRHOPCOMSCGN-VXGBXAGGSA-N -2 3 383.481 3.176 20 0 GGADHL C[C@@H]1C[C@@H](C)N(C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000736230398 1446141739 /nfs/dbraw/zinc/14/17/39/1446141739.db2.gz TYBRHOPCOMSCGN-VXGBXAGGSA-N -2 3 383.481 3.176 20 0 GGADHL Cc1nsc([N-]C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)n1 ZINC000826340049 1446657623 /nfs/dbraw/zinc/65/76/23/1446657623.db2.gz FVQORXWFEMXGDJ-UHFFFAOYSA-N -2 3 379.405 3.071 20 0 GGADHL Cc1nsc([N-]C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)n1 ZINC000826340049 1446657626 /nfs/dbraw/zinc/65/76/26/1446657626.db2.gz FVQORXWFEMXGDJ-UHFFFAOYSA-N -2 3 379.405 3.071 20 0 GGADHL O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cc(Cl)ccc1[O-] ZINC000737833623 1446777898 /nfs/dbraw/zinc/77/78/98/1446777898.db2.gz YPKJDDPRRUWLMB-UHFFFAOYSA-N -2 3 387.827 3.414 20 0 GGADHL O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1cc(Cl)ccc1[O-] ZINC000737833623 1446777901 /nfs/dbraw/zinc/77/79/01/1446777901.db2.gz YPKJDDPRRUWLMB-UHFFFAOYSA-N -2 3 387.827 3.414 20 0 GGADHL CC(C)(C)c1cnc([N-]C(=O)[C@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819966130 1446804437 /nfs/dbraw/zinc/80/44/37/1446804437.db2.gz XIGFOQMCUCNDHX-CQSZACIVSA-N -2 3 397.508 3.228 20 0 GGADHL CC(C)(C)c1cnc([N-]C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819966130 1446804443 /nfs/dbraw/zinc/80/44/43/1446804443.db2.gz XIGFOQMCUCNDHX-CQSZACIVSA-N -2 3 397.508 3.228 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)N[C@H]1CC=CCC1 ZINC000738208952 1446833992 /nfs/dbraw/zinc/83/39/92/1446833992.db2.gz PTKJSMSFFZJAJG-AWEZNQCLSA-N -2 3 381.465 3.144 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)N[C@H]1CC=CCC1 ZINC000738208952 1446833996 /nfs/dbraw/zinc/83/39/96/1446833996.db2.gz PTKJSMSFFZJAJG-AWEZNQCLSA-N -2 3 381.465 3.144 20 0 GGADHL CCO[C@@H](CC(=O)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C(C)C ZINC000821350988 1446926189 /nfs/dbraw/zinc/92/61/89/1446926189.db2.gz IIFSNABUXCWWNX-HNNXBMFYSA-N -2 3 386.481 3.380 20 0 GGADHL CCO[C@@H](CC(=O)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C(C)C ZINC000821350988 1446926191 /nfs/dbraw/zinc/92/61/91/1446926191.db2.gz IIFSNABUXCWWNX-HNNXBMFYSA-N -2 3 386.481 3.380 20 0 GGADHL O=S(=O)([N-]c1ccc(OC2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738343462 1447177912 /nfs/dbraw/zinc/17/79/12/1447177912.db2.gz ZMFHUEXIOYVNGV-UHFFFAOYSA-N -2 3 399.476 3.379 20 0 GGADHL O=S(=O)([N-]c1ccc(OC2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738343462 1447177917 /nfs/dbraw/zinc/17/79/17/1447177917.db2.gz ZMFHUEXIOYVNGV-UHFFFAOYSA-N -2 3 399.476 3.379 20 0 GGADHL C[C@H](CC(=O)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)n1cccc1 ZINC000735975798 1449090960 /nfs/dbraw/zinc/09/09/60/1449090960.db2.gz JDMGHYFZZJCLIP-GFCCVEGCSA-N -2 3 379.449 3.382 20 0 GGADHL C[C@H](CC(=O)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)n1cccc1 ZINC000735975798 1449090967 /nfs/dbraw/zinc/09/09/67/1449090967.db2.gz JDMGHYFZZJCLIP-GFCCVEGCSA-N -2 3 379.449 3.382 20 0 GGADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(F)cc1Cl ZINC000823583115 1449221028 /nfs/dbraw/zinc/22/10/28/1449221028.db2.gz HUWUZVRAYZYEBA-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=C([N-]c1nc2c(s1)CCC2)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738208772 1449282885 /nfs/dbraw/zinc/28/28/85/1449282885.db2.gz HAMMYQFWAQUCBI-UHFFFAOYSA-N -2 3 381.465 3.008 20 0 GGADHL O=C([N-]c1nc2c(s1)CCC2)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738208772 1449282890 /nfs/dbraw/zinc/28/28/90/1449282890.db2.gz HAMMYQFWAQUCBI-UHFFFAOYSA-N -2 3 381.465 3.008 20 0 GGADHL Cc1cc(=O)[n-]c([C@H](C)Sc2nc(C)cc(C(F)(F)F)c2-c2nn[n-]n2)n1 ZINC000822210586 1449505521 /nfs/dbraw/zinc/50/55/21/1449505521.db2.gz JDGGBFCERMDVMG-QMMMGPOBSA-N -2 3 397.386 3.246 20 0 GGADHL Cc1cc(=O)[n-]c([C@H](C)Sc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)n1 ZINC000822210586 1449505522 /nfs/dbraw/zinc/50/55/22/1449505522.db2.gz JDGGBFCERMDVMG-QMMMGPOBSA-N -2 3 397.386 3.246 20 0 GGADHL CCOc1ccccc1C(F)(F)C(=O)[N-][C@H](C(=O)[O-])c1ccc(OC)c(F)c1 ZINC000262944124 939088306 /nfs/dbraw/zinc/08/83/06/939088306.db2.gz GWZJAHQZGXGNNS-INIZCTEOSA-N -2 3 397.349 3.267 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)cc2)cc(=O)[n-]1 ZINC000578078132 939750728 /nfs/dbraw/zinc/75/07/28/939750728.db2.gz NUHJGRHBGMCBPH-GOSISDBHSA-N -2 3 384.436 3.313 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)N[C@H](C(=O)[O-])C3CCCCC3)cc2)cc(=O)[n-]1 ZINC000578078133 939750942 /nfs/dbraw/zinc/75/09/42/939750942.db2.gz NUHJGRHBGMCBPH-SFHVURJKSA-N -2 3 384.436 3.313 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)N[C@@H](C(=O)[O-])c3cccs3)cc2)cc(=O)[n-]1 ZINC000583909017 939793937 /nfs/dbraw/zinc/79/39/37/939793937.db2.gz GMKWUWACNILZCE-MRXNPFEDSA-N -2 3 384.417 3.167 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)N[C@@]3(C(=O)[O-])CC[C@H](C)CC3)cc2)cc(=O)[n-]1 ZINC000656475122 939843525 /nfs/dbraw/zinc/84/35/25/939843525.db2.gz OPMXYNAATAHFQP-NJDVURJYSA-N -2 3 384.436 3.313 20 0 GGADHL COc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])c(Br)cc2C)c1 ZINC000323514166 971012568 /nfs/dbraw/zinc/01/25/68/971012568.db2.gz ZSTNASUXQFCFOO-UHFFFAOYSA-N -2 3 380.194 3.422 20 0 GGADHL Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)s1 ZINC000324651956 971143119 /nfs/dbraw/zinc/14/31/19/971143119.db2.gz GDVBTDOZRNTJNG-MRVPVSSYSA-N -2 3 391.873 3.457 20 0 GGADHL Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)s1 ZINC000324651957 971143348 /nfs/dbraw/zinc/14/33/48/971143348.db2.gz GDVBTDOZRNTJNG-QMMMGPOBSA-N -2 3 391.873 3.457 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)c1ccccc1 ZINC000326885756 971340157 /nfs/dbraw/zinc/34/01/57/971340157.db2.gz DLDDFPTYRUEDDN-UHFFFAOYSA-N -2 3 385.844 3.433 20 0 GGADHL O=C([O-])c1c(F)ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1F ZINC000327852791 971428885 /nfs/dbraw/zinc/42/88/85/971428885.db2.gz RXUFBYLJKHHQNP-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001574082789 948863052 /nfs/dbraw/zinc/86/30/52/948863052.db2.gz JWWJSGAYFBFCKF-INIZCTEOSA-N -2 3 387.827 3.034 20 0 GGADHL CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001574082789 948863070 /nfs/dbraw/zinc/86/30/70/948863070.db2.gz JWWJSGAYFBFCKF-INIZCTEOSA-N -2 3 387.827 3.034 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc(C(=O)[O-])c3)c2)n1 ZINC000361127198 971533537 /nfs/dbraw/zinc/53/35/37/971533537.db2.gz QDPJMFSWIVKAND-UHFFFAOYSA-N -2 3 377.400 3.291 20 0 GGADHL C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC001575190270 952460869 /nfs/dbraw/zinc/46/08/69/952460869.db2.gz RRPCCJJWAAXEES-VIFPVBQESA-N -2 3 375.791 3.182 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(OCC(=O)[O-])c3)c2)n1 ZINC000539575131 953574509 /nfs/dbraw/zinc/57/45/09/953574509.db2.gz JGUVATHEWDJXNT-UHFFFAOYSA-N -2 3 393.399 3.127 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCCCC(=O)[O-])cc2)cc1 ZINC000655548566 954198672 /nfs/dbraw/zinc/19/86/72/954198672.db2.gz GQGNITYXGAOQIG-UHFFFAOYSA-N -2 3 390.461 3.379 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCCCC1 ZINC001594883159 954444525 /nfs/dbraw/zinc/44/45/25/954444525.db2.gz JCIBTJWFFGRJCA-UHFFFAOYSA-N -2 3 385.791 3.425 20 0 GGADHL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2Cl)c1OC ZINC000002624781 956866840 /nfs/dbraw/zinc/86/68/40/956866840.db2.gz SPTKVKMXVHFIIC-BQYQJAHWSA-N -2 3 397.836 3.256 20 0 GGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)c1 ZINC000389454498 972225890 /nfs/dbraw/zinc/22/58/90/972225890.db2.gz IFUYABAGMZUQMS-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC000013059839 956920647 /nfs/dbraw/zinc/92/06/47/956920647.db2.gz UUXFHPHZTQETGI-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc([O-])cc(Br)c2)c2ccccc21 ZINC001594726339 957007780 /nfs/dbraw/zinc/00/77/80/957007780.db2.gz MBUAZMIPELBYPS-CABCVRRESA-N -2 3 376.206 3.198 20 0 GGADHL O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc([O-])cc(Br)c2)c2ccccc21 ZINC001594726342 957008078 /nfs/dbraw/zinc/00/80/78/957008078.db2.gz MBUAZMIPELBYPS-LSDHHAIUSA-N -2 3 376.206 3.198 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)ccc1O ZINC000013345252 957030954 /nfs/dbraw/zinc/03/09/54/957030954.db2.gz ACWUPHOTROUZBB-UHFFFAOYSA-N -2 3 375.374 3.206 20 0 GGADHL Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000065223847 957639215 /nfs/dbraw/zinc/63/92/15/957639215.db2.gz HHFFICRABHLHJG-UHFFFAOYSA-N -2 3 385.401 3.076 20 0 GGADHL CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000067124862 957645386 /nfs/dbraw/zinc/64/53/86/957645386.db2.gz AMAXRRZLRAVWIR-UHFFFAOYSA-N -2 3 399.852 3.254 20 0 GGADHL O=C([O-])Cn1cnc([N-]C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)n1 ZINC001574748465 957717552 /nfs/dbraw/zinc/71/75/52/957717552.db2.gz ZWKFHAJRUMCGBE-UHFFFAOYSA-N -2 3 398.231 3.045 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2F)ccc1Br ZINC000072003599 957732230 /nfs/dbraw/zinc/73/22/30/957732230.db2.gz UMUAGOOZVFQUAV-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000390887330 972306002 /nfs/dbraw/zinc/30/60/02/972306002.db2.gz XRBPHGLBBBGMJW-QMMMGPOBSA-N -2 3 377.846 3.148 20 0 GGADHL COc1cc(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cc(OC)c1[O-] ZINC001594050595 957983386 /nfs/dbraw/zinc/98/33/86/957983386.db2.gz QOTRZYCYXXKJKE-UHFFFAOYSA-N -2 3 385.416 3.127 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)sc1Br ZINC000123554749 958504972 /nfs/dbraw/zinc/50/49/72/958504972.db2.gz QONPNLCUYJKALH-UHFFFAOYSA-N -2 3 396.328 3.275 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCCCC2)sc1Br ZINC000123559525 958505082 /nfs/dbraw/zinc/50/50/82/958505082.db2.gz JALNMIZBWNBQEE-NSHDSACASA-N -2 3 396.328 3.131 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCCCC2)sc1Br ZINC000123559719 958505912 /nfs/dbraw/zinc/50/59/12/958505912.db2.gz JALNMIZBWNBQEE-LLVKDONJSA-N -2 3 396.328 3.131 20 0 GGADHL Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000391772739 972369696 /nfs/dbraw/zinc/36/96/96/972369696.db2.gz LJQGOWQZAYMONK-DAXSKMNVSA-N -2 3 397.250 3.051 20 0 GGADHL C[C@@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001603236992 972376668 /nfs/dbraw/zinc/37/66/68/972376668.db2.gz UUGOPUCPVYVREC-SCSAIBSYSA-N -2 3 395.700 3.197 20 0 GGADHL O=C([O-])c1ccc(Br)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000391827585 972378896 /nfs/dbraw/zinc/37/88/96/972378896.db2.gz CVVZPTTZXSWGID-UHFFFAOYSA-N -2 3 387.189 3.241 20 0 GGADHL Cc1cccc([C@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)C(=O)[O-])c1 ZINC001594399900 958839356 /nfs/dbraw/zinc/83/93/56/958839356.db2.gz VYUSBEAPRDNVPC-KRWDZBQOSA-N -2 3 388.470 3.223 20 0 GGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)C2CC2)n1 ZINC000185063602 959495616 /nfs/dbraw/zinc/49/56/16/959495616.db2.gz MOHJOGSHMULNNV-CQSZACIVSA-N -2 3 384.454 3.027 20 0 GGADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000185987135 959500550 /nfs/dbraw/zinc/50/05/50/959500550.db2.gz IDPCQSHXMSBYFE-LBPRGKRZSA-N -2 3 391.342 3.148 20 0 GGADHL Cc1c(Br)ccc([O-])c1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001594252167 959619158 /nfs/dbraw/zinc/61/91/58/959619158.db2.gz JFVDYKJCJRLSNQ-UHFFFAOYSA-N -2 3 380.194 3.179 20 0 GGADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000226463949 959879373 /nfs/dbraw/zinc/87/93/73/959879373.db2.gz NCVCTUAUZRGIDX-UHFFFAOYSA-N -2 3 394.243 3.457 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2nc(C)c(Cl)cc2Cl)cc1C(=O)[O-] ZINC001185271993 960522096 /nfs/dbraw/zinc/52/20/96/960522096.db2.gz SJGYXEIPXIKLAE-UHFFFAOYSA-N -2 3 391.232 3.204 20 0 GGADHL CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259220600 960678963 /nfs/dbraw/zinc/67/89/63/960678963.db2.gz NYWRVPZABXMKFQ-UHFFFAOYSA-N -2 3 386.832 3.040 20 0 GGADHL Cc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1C ZINC001259221584 960681376 /nfs/dbraw/zinc/68/13/76/960681376.db2.gz MRJCZYBKQUVBGO-UHFFFAOYSA-N -2 3 385.844 3.315 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccc(Cl)c2F)c(F)cc1Cl ZINC001259221787 960682394 /nfs/dbraw/zinc/68/23/94/960682394.db2.gz UBVSCXYNLADONF-UHFFFAOYSA-N -2 3 396.198 3.448 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)c1ccccc1 ZINC001259222150 960684205 /nfs/dbraw/zinc/68/42/05/960684205.db2.gz KFFSAEZVFMYOEE-UHFFFAOYSA-N -2 3 385.844 3.433 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(Cc3ccccc3)CC2)c(F)cc1Cl ZINC001259222074 960684930 /nfs/dbraw/zinc/68/49/30/960684930.db2.gz GXVXOUBGZAUASC-UHFFFAOYSA-N -2 3 383.828 3.231 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc3C2)c(F)cc1Cl ZINC001259225255 960690578 /nfs/dbraw/zinc/69/05/78/960690578.db2.gz IBLUGPHDIMRKEA-LLVKDONJSA-N -2 3 397.855 3.261 20 0 GGADHL Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-] ZINC001574307623 960749942 /nfs/dbraw/zinc/74/99/42/960749942.db2.gz FFRGVLBKKWOMFB-SECBINFHSA-N -2 3 398.344 3.377 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001588727171 961075848 /nfs/dbraw/zinc/07/58/48/961075848.db2.gz GWABNNODTOLAQM-LBPRGKRZSA-N -2 3 395.412 3.185 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC001588727924 961081645 /nfs/dbraw/zinc/08/16/45/961081645.db2.gz SKDWDTJVIMZNCZ-UHFFFAOYSA-N -2 3 377.422 3.370 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000262424720 961712052 /nfs/dbraw/zinc/71/20/52/961712052.db2.gz CGRQQPGZXJWTJR-SECBINFHSA-N -2 3 398.706 3.128 20 0 GGADHL Cc1nc(C=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)[n-]c(=O)c1CC(=O)[O-] ZINC001345366820 962266032 /nfs/dbraw/zinc/26/60/32/962266032.db2.gz GUOZIDVXQVOAFU-CLFYSBASSA-N -3 3 380.356 3.246 20 0 GGADHL O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001574665693 962506894 /nfs/dbraw/zinc/50/68/94/962506894.db2.gz LAFXVQMRVNDRNL-QGZVFWFLSA-N -2 3 382.803 3.006 20 0 GGADHL O=C([O-])CC[C@H]1Cc2ccccc2N(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC001574693274 962659075 /nfs/dbraw/zinc/65/90/75/962659075.db2.gz HSYHDEWFPCZMNC-AWEZNQCLSA-N -2 3 379.416 3.486 20 0 GGADHL Cc1cccc(C(=O)Nc2cc(I)cc(C(=O)[O-])c2)c1[O-] ZINC000314160393 963719762 /nfs/dbraw/zinc/71/97/62/963719762.db2.gz KMVASTKONMXPHY-UHFFFAOYSA-N -2 3 397.168 3.256 20 0 GGADHL CCC1CCC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000315405618 963896451 /nfs/dbraw/zinc/89/64/51/963896451.db2.gz QVCJPIKXPSKKHW-UHFFFAOYSA-N -2 3 394.287 3.235 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)sc1Br ZINC000123581260 967617977 /nfs/dbraw/zinc/61/79/77/967617977.db2.gz KMNHGZDORJSHNM-UHFFFAOYSA-N -2 3 396.328 3.275 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653494123 968670675 /nfs/dbraw/zinc/67/06/75/968670675.db2.gz QOZKWAWVBCUIML-DVVUODLYSA-N -2 3 397.390 3.258 20 0 GGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2CC3CCC2CC3)c1F ZINC000400014820 973246955 /nfs/dbraw/zinc/24/69/55/973246955.db2.gz HJSHCWGGVNXGHA-ILDUYXDCSA-N -2 3 375.849 3.282 20 0 GGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CC3CCC2CC3)c1F ZINC000400014822 973246989 /nfs/dbraw/zinc/24/69/89/973246989.db2.gz HJSHCWGGVNXGHA-VQXHTEKXSA-N -2 3 375.849 3.282 20 0 GGADHL O=C([O-])C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000405450971 973882688 /nfs/dbraw/zinc/88/26/88/973882688.db2.gz OBGLHJDUNLZTDX-GZMMTYOYSA-N -2 3 385.791 3.281 20 0 GGADHL CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000466340286 974189197 /nfs/dbraw/zinc/18/91/97/974189197.db2.gz ROCHTSOWCFUQNB-UHFFFAOYSA-N -2 3 376.434 3.151 20 0 GGADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1Cl ZINC000466352804 974190117 /nfs/dbraw/zinc/19/01/17/974190117.db2.gz JKVFCIBWKHARDU-UHFFFAOYSA-N -2 3 399.852 3.173 20 0 GGADHL CCOCCOCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000466347892 974190591 /nfs/dbraw/zinc/19/05/91/974190591.db2.gz UMOMTXKMUMZCKL-UHFFFAOYSA-N -2 3 393.461 3.047 20 0 GGADHL Cc1oc2ccc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)cc2c1C ZINC000479572218 974217021 /nfs/dbraw/zinc/21/70/21/974217021.db2.gz BCPCBRLDZRWYKM-UHFFFAOYSA-N -2 3 375.402 3.314 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1F ZINC000489708771 974252956 /nfs/dbraw/zinc/25/29/56/974252956.db2.gz ZMZUWVPTKQAXMB-UHFFFAOYSA-N -2 3 395.799 3.164 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000494663718 974260636 /nfs/dbraw/zinc/26/06/36/974260636.db2.gz HPUDHGCKZLYUBS-UHFFFAOYSA-N -2 3 389.351 3.435 20 0 GGADHL CC(C)(C)OC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000525741620 974350782 /nfs/dbraw/zinc/35/07/82/974350782.db2.gz BRZKTSOLQPQDTB-UHFFFAOYSA-N -2 3 391.445 3.070 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)cc1C(=O)[O-] ZINC000530145089 974355782 /nfs/dbraw/zinc/35/57/82/974355782.db2.gz OEFWFXWWFLMPCA-UHFFFAOYSA-N -2 3 375.446 3.388 20 0 GGADHL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1)C(=O)[O-] ZINC000542736576 974416158 /nfs/dbraw/zinc/41/61/58/974416158.db2.gz ZEJDLGFBWLOGOV-QWHCGFSZSA-N -2 3 375.446 3.074 20 0 GGADHL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1)C(=O)[O-] ZINC000542736578 974416662 /nfs/dbraw/zinc/41/66/62/974416662.db2.gz ZEJDLGFBWLOGOV-STQMWFEESA-N -2 3 375.446 3.074 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000543662333 974418721 /nfs/dbraw/zinc/41/87/21/974418721.db2.gz FAHKMVQJCMTXCB-LBPRGKRZSA-N -3 3 391.445 3.066 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c(C)c1C ZINC000544642094 974421101 /nfs/dbraw/zinc/42/11/01/974421101.db2.gz SUNQOJQMCMFVGH-LBPRGKRZSA-N -2 3 377.462 3.376 20 0 GGADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)on1 ZINC000544942197 974424832 /nfs/dbraw/zinc/42/48/32/974424832.db2.gz DQXFCBZQIGVMTQ-UHFFFAOYSA-N -2 3 384.429 3.202 20 0 GGADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1OC(C)C ZINC000546181196 974428401 /nfs/dbraw/zinc/42/84/01/974428401.db2.gz UGJJDPJAJJGKQR-UHFFFAOYSA-N -2 3 379.434 3.290 20 0 GGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1F ZINC000547608767 974441122 /nfs/dbraw/zinc/44/11/22/974441122.db2.gz MADDEJWHHGEKAP-UHFFFAOYSA-N -2 3 397.277 3.362 20 0 GGADHL CC(C)n1ncc2cc(S(=O)(=O)[N-]c3cc(F)cc(C(=O)[O-])c3F)ccc21 ZINC000547610124 974442407 /nfs/dbraw/zinc/44/24/07/974442407.db2.gz AWHQNSPAOIGXQH-UHFFFAOYSA-N -2 3 395.387 3.394 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(F)cc(C(=O)[O-])c3F)cc2)co1 ZINC000547901626 974448000 /nfs/dbraw/zinc/44/80/00/974448000.db2.gz FFVMMWHFQGTXMP-UHFFFAOYSA-N -2 3 394.355 3.427 20 0 GGADHL CC(C)n1ncc2cc(S(=O)(=O)[N-]c3c(F)cccc3C(=O)[O-])ccc21 ZINC000548250976 974461855 /nfs/dbraw/zinc/46/18/55/974461855.db2.gz BHFJDYKIQAJVSA-UHFFFAOYSA-N -2 3 377.397 3.255 20 0 GGADHL Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)cc2)n1 ZINC000551445444 974478243 /nfs/dbraw/zinc/47/82/43/974478243.db2.gz MCPICZIBTWYCIO-UHFFFAOYSA-N -2 3 385.445 3.297 20 0 GGADHL Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)cc2)n1 ZINC000559993986 974499464 /nfs/dbraw/zinc/49/94/64/974499464.db2.gz RJXXXTUOFWDTJZ-UHFFFAOYSA-N -2 3 391.836 3.333 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]CCCO[C@H]2CCCc3ccccc32)oc1C(=O)[O-] ZINC000663422250 975949563 /nfs/dbraw/zinc/94/95/63/975949563.db2.gz IAZBBEVCPHNLIG-INIZCTEOSA-N -2 3 393.461 3.049 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(C(F)(F)F)cc2)oc1C(=O)[O-] ZINC000663426228 975951073 /nfs/dbraw/zinc/95/10/73/975951073.db2.gz IHKKALYVYHSXKA-SNVBAGLBSA-N -2 3 391.367 3.387 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(OCC3CC3)c(F)c2)oc1C(=O)[O-] ZINC000663424962 975951424 /nfs/dbraw/zinc/95/14/24/975951424.db2.gz PHGNWQHMAGJFPR-NSHDSACASA-N -2 3 397.424 3.254 20 0 GGADHL CC(C)[C@H]([N-]S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21)C(F)(F)F ZINC001591905416 976304268 /nfs/dbraw/zinc/30/42/68/976304268.db2.gz OAJLFQDDEAOLEP-AWEZNQCLSA-N -2 3 375.368 3.403 20 0 GGADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccccc2OCc2ccccc2)c1 ZINC000694154833 976671115 /nfs/dbraw/zinc/67/11/15/976671115.db2.gz HWRYVDTXXYBLFU-UHFFFAOYSA-N -2 3 387.413 3.035 20 0 GGADHL C[C@](CC(=O)[O-])([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC001592333425 977772352 /nfs/dbraw/zinc/77/23/52/977772352.db2.gz CXKYMVABBSSYRQ-CYBMUJFWSA-N -2 3 396.690 3.024 20 0 GGADHL C[C@@](CC(=O)[O-])([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC001592333426 977772475 /nfs/dbraw/zinc/77/24/75/977772475.db2.gz CXKYMVABBSSYRQ-ZDUSSCGKSA-N -2 3 396.690 3.024 20 0 GGADHL C[C@H](CC1CCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001592465823 978209600 /nfs/dbraw/zinc/20/96/00/978209600.db2.gz NPZBGEIFRBYCGE-MRVPVSSYSA-N -2 3 394.262 3.143 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)cc1 ZINC000738069913 978472501 /nfs/dbraw/zinc/47/25/01/978472501.db2.gz PHQSSBUGRSIXCP-UHFFFAOYSA-N -2 3 381.475 3.204 20 0 GGADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000738838046 978604669 /nfs/dbraw/zinc/60/46/69/978604669.db2.gz MMRLCQOXJNOMLL-UHFFFAOYSA-N -2 3 398.806 3.085 20 0 GGADHL O=C([O-])CCCc1nnc([N-]C(=O)c2csc(Cc3ccccc3)n2)s1 ZINC000739711717 978651654 /nfs/dbraw/zinc/65/16/54/978651654.db2.gz PBLQYLWUWVGYOH-UHFFFAOYSA-N -2 3 388.474 3.245 20 0 GGADHL O=C([O-])CCSCc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000739753196 978653076 /nfs/dbraw/zinc/65/30/76/978653076.db2.gz FSKCPIJASXHXMI-BOPFTXTBSA-N -2 3 382.441 3.118 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)ccc1O ZINC000740089215 978668285 /nfs/dbraw/zinc/66/82/85/978668285.db2.gz AZYXYFCBLBCASZ-UHFFFAOYSA-N -2 3 391.445 3.350 20 0 GGADHL CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000757646141 978703150 /nfs/dbraw/zinc/70/31/50/978703150.db2.gz UCEWLBAJTZLMEL-WDZFZDKYSA-N -2 3 389.429 3.070 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(N2CCCCC2=O)c1 ZINC000757645828 978703264 /nfs/dbraw/zinc/70/32/64/978703264.db2.gz GKTRXPHOAHTCJE-UHFFFAOYSA-N -2 3 388.445 3.011 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc(C(=O)[O-])c1Cl ZINC000759093578 978705456 /nfs/dbraw/zinc/70/54/56/978705456.db2.gz DKTJRLOXTMDQAU-UHFFFAOYSA-N -3 3 383.809 3.154 20 0 GGADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)[C@@H]1C ZINC000761238318 978706032 /nfs/dbraw/zinc/70/60/32/978706032.db2.gz RWBSBHIGBJOBFV-NQMVMOMDSA-N -2 3 396.328 3.312 20 0 GGADHL CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761263193 978707543 /nfs/dbraw/zinc/70/75/43/978707543.db2.gz FXELSAOMSYEVPG-WPRPVWTQSA-N -2 3 396.328 3.456 20 0 GGADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CCC2CCCC2)s1 ZINC000761262645 978707577 /nfs/dbraw/zinc/70/75/77/978707577.db2.gz HCQRXXUFUNKLCX-UHFFFAOYSA-N -2 3 382.301 3.067 20 0 GGADHL COc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1OC(C)C ZINC000766387009 978724333 /nfs/dbraw/zinc/72/43/33/978724333.db2.gz VQIQYLOOOMNQML-UHFFFAOYSA-N -2 3 383.397 3.121 20 0 GGADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)C2=Cc3ccccc3OCC2)c1F ZINC000776561252 978754034 /nfs/dbraw/zinc/75/40/34/978754034.db2.gz YDIMRVAFEWHIGK-UHFFFAOYSA-N -2 3 381.356 3.228 20 0 GGADHL Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)cc2)n1 ZINC000790101770 978798679 /nfs/dbraw/zinc/79/86/79/978798679.db2.gz LSOPDBRJYLYVBZ-UHFFFAOYSA-N -2 3 391.836 3.333 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1OCC ZINC000793350324 978802936 /nfs/dbraw/zinc/80/29/36/978802936.db2.gz KVDLDTCIETWZQF-UHFFFAOYSA-N -2 3 397.424 3.431 20 0 GGADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000793351279 978803034 /nfs/dbraw/zinc/80/30/34/978803034.db2.gz ASJWMKCCUNRHSJ-UHFFFAOYSA-N -2 3 394.424 3.228 20 0 GGADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000793404373 978807139 /nfs/dbraw/zinc/80/71/39/978807139.db2.gz HQHQEFAZWNTEBC-UHFFFAOYSA-N -2 3 389.351 3.277 20 0 GGADHL COc1ccc2cc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)[O-])c3)ccc2c1 ZINC000795365648 978831640 /nfs/dbraw/zinc/83/16/40/978831640.db2.gz JPLMPJKKLKJLMS-UHFFFAOYSA-N -2 3 387.413 3.356 20 0 GGADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000797429196 978833953 /nfs/dbraw/zinc/83/39/53/978833953.db2.gz PFMBEHODLVKANU-GZMMTYOYSA-N -2 3 398.706 3.270 20 0 GGADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c(C)c1C ZINC000808115994 978851814 /nfs/dbraw/zinc/85/18/14/978851814.db2.gz CAWGJRKSBZDGBS-UHFFFAOYSA-N -2 3 385.388 3.398 20 0 GGADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([C@@H]2CCOC2)cc1 ZINC000830009129 979010929 /nfs/dbraw/zinc/01/09/29/979010929.db2.gz QZTGTLFGDRWCLD-CYBMUJFWSA-N -2 3 379.409 3.137 20 0 GGADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([C@H]2CCOC2)cc1 ZINC000830009130 979011029 /nfs/dbraw/zinc/01/10/29/979011029.db2.gz QZTGTLFGDRWCLD-ZDUSSCGKSA-N -2 3 379.409 3.137 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(C4CCCCC4)[nH]c3c2)c[nH]1 ZINC000833306033 979146915 /nfs/dbraw/zinc/14/69/15/979146915.db2.gz OSBOQUFURCLHQG-UHFFFAOYSA-N -2 3 388.449 3.438 20 0 GGADHL C[C@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001592838351 979587430 /nfs/dbraw/zinc/58/74/30/979587430.db2.gz BQXSKDURANBDCD-MRVPVSSYSA-N -2 3 378.233 3.194 20 0 GGADHL C[C@@H](Cc1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1)C(=O)[O-] ZINC001592877784 979746434 /nfs/dbraw/zinc/74/64/34/979746434.db2.gz QIGPZHHCWHUDCK-JTQLQIEISA-N -2 3 386.354 3.322 20 0 GGADHL C[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001592990586 980180532 /nfs/dbraw/zinc/18/05/32/980180532.db2.gz RDAUMLPVPRJLCJ-SNVBAGLBSA-N -2 3 385.313 3.397 20 0 GGADHL CC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)[C@@H]1CC1(C)C ZINC001595317529 980493968 /nfs/dbraw/zinc/49/39/68/980493968.db2.gz YKLWSRYBOYWQSX-IONNQARKSA-N -2 3 396.328 3.312 20 0 GGADHL CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001595441933 981080931 /nfs/dbraw/zinc/08/09/31/981080931.db2.gz WAESFPYXXOCFEV-LDYMZIIASA-N -2 3 394.262 3.143 20 0 GGADHL CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001595441932 981081155 /nfs/dbraw/zinc/08/11/55/981081155.db2.gz WAESFPYXXOCFEV-KWQFWETISA-N -2 3 394.262 3.143 20 0 GGADHL CC[C@@](C)(CC(=O)[O-])NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001594817300 981955439 /nfs/dbraw/zinc/95/54/39/981955439.db2.gz NWWNNTPGGSVFNK-GCJKJVERSA-N -2 3 398.459 3.013 20 0 GGADHL CCCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)C(=O)[O-] ZINC001595640476 981962609 /nfs/dbraw/zinc/96/26/09/981962609.db2.gz GVGFEAGKWYATNG-LLVKDONJSA-N -2 3 398.706 3.333 20 0 GGADHL CCCC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(OC)cc1 ZINC001595642257 981971375 /nfs/dbraw/zinc/97/13/75/981971375.db2.gz LMRASRZEOIKBKF-ZDUSSCGKSA-N -2 3 384.479 3.060 20 0 GGADHL O=C([O-])[C@@H]1CCc2sc(NC(=O)CCCc3ccc([O-])c(F)c3)nc2C1 ZINC000910678961 982053828 /nfs/dbraw/zinc/05/38/28/982053828.db2.gz ZMMJDWAACCVXDW-LLVKDONJSA-N -2 3 378.425 3.139 20 0 GGADHL O=C([O-])[C@H]1CCc2sc(NC(=O)CCCc3ccc([O-])c(F)c3)nc2C1 ZINC000910678963 982054596 /nfs/dbraw/zinc/05/45/96/982054596.db2.gz ZMMJDWAACCVXDW-NSHDSACASA-N -2 3 378.425 3.139 20 0 GGADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)c1nccs1 ZINC001594853270 982109952 /nfs/dbraw/zinc/10/99/52/982109952.db2.gz OOCZVAOWWUQBJP-CQSZACIVSA-N -2 3 392.861 3.238 20 0 GGADHL CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-])C(F)(F)F ZINC001594919465 982456122 /nfs/dbraw/zinc/45/61/22/982456122.db2.gz AMGVECKUWZCZRX-LKFCYVNXSA-N -2 3 390.383 3.188 20 0 GGADHL CCCCc1nc(NC(=O)c2ccc(C(=O)[O-])cc2F)c(C(=O)OCC)[n-]1 ZINC001595799462 982613671 /nfs/dbraw/zinc/61/36/71/982613671.db2.gz RVWZROYWQTVSSG-UHFFFAOYSA-N -2 3 377.372 3.019 20 0 GGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c(C)c1 ZINC001595966947 983175542 /nfs/dbraw/zinc/17/55/42/983175542.db2.gz XLZQEQYPSGGOLO-UHFFFAOYSA-N -2 3 393.461 3.438 20 0 GGADHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001596288584 983708340 /nfs/dbraw/zinc/70/83/40/983708340.db2.gz QCOUDJZAPSYJHX-UHFFFAOYSA-N -2 3 378.450 3.040 20 0 GGADHL CC(=O)c1ccc(C(=O)NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)cc1[O-] ZINC001589277330 985993887 /nfs/dbraw/zinc/99/38/87/985993887.db2.gz NGPHMUBTBVBFBX-UHFFFAOYSA-N -2 3 396.424 3.347 20 0 GGADHL C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC001589461920 986914179 /nfs/dbraw/zinc/91/41/79/986914179.db2.gz IOHBSQUDAGUNFS-MEBBXXQBSA-N -2 3 378.222 3.347 20 0 GGADHL CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001597258566 987269958 /nfs/dbraw/zinc/26/99/58/987269958.db2.gz OZNZEBKDOILNNP-VXGBXAGGSA-N -2 3 381.878 3.130 20 0 GGADHL CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001597258563 987270090 /nfs/dbraw/zinc/27/00/90/987270090.db2.gz OZNZEBKDOILNNP-NEPJUHHUSA-N -2 3 381.878 3.130 20 0 GGADHL CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001597258564 987270272 /nfs/dbraw/zinc/27/02/72/987270272.db2.gz OZNZEBKDOILNNP-NWDGAFQWSA-N -2 3 381.878 3.130 20 0 GGADHL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001589611958 987470332 /nfs/dbraw/zinc/47/03/32/987470332.db2.gz KIHMQDTVUHSJDK-NSHDSACASA-N -2 3 376.840 3.145 20 0 GGADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc(Cl)cc1 ZINC001589756917 988068779 /nfs/dbraw/zinc/06/87/79/988068779.db2.gz HOYKKDGICZDNET-CYBMUJFWSA-N -2 3 386.857 3.482 20 0 GGADHL CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)n1 ZINC001597639789 988633608 /nfs/dbraw/zinc/63/36/08/988633608.db2.gz NYIYORVSUMSGJZ-SSDOTTSWSA-N -2 3 392.861 3.236 20 0 GGADHL CCc1csc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)n1 ZINC001597639791 988633734 /nfs/dbraw/zinc/63/37/34/988633734.db2.gz NYIYORVSUMSGJZ-ZETCQYMHSA-N -2 3 392.861 3.236 20 0 GGADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)F ZINC001597779576 989272461 /nfs/dbraw/zinc/27/24/61/989272461.db2.gz FDFBYRKPUXUSET-GFCCVEGCSA-N -2 3 387.404 3.085 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)s1 ZINC001590319301 989754929 /nfs/dbraw/zinc/75/49/29/989754929.db2.gz BACDGEGJCXGADX-SECBINFHSA-N -2 3 397.478 3.497 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccccc2CC(=O)[O-])s1 ZINC001590319395 989755806 /nfs/dbraw/zinc/75/58/06/989755806.db2.gz FKFBASGONFMLPP-UHFFFAOYSA-N -2 3 377.422 3.370 20 0 GGADHL CC(C)(C)c1ccc(C2([N-]S(=O)(=O)c3cc(C(=O)[O-])no3)CCCC2)cc1 ZINC001590479662 990055213 /nfs/dbraw/zinc/05/52/13/990055213.db2.gz FUEDZZUBZUSSSB-UHFFFAOYSA-N -2 3 392.477 3.418 20 0 GGADHL CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC001590481001 990071609 /nfs/dbraw/zinc/07/16/09/990071609.db2.gz ZRDGSBBWZYKPRB-OAHLLOKOSA-N -2 3 385.416 3.364 20 0 GGADHL CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@@H](COC1CCC1)C(=O)[O-] ZINC001598078563 990386959 /nfs/dbraw/zinc/38/69/59/990386959.db2.gz DBRGTRPUJAFEGS-SFHVURJKSA-N -2 3 385.416 3.279 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)[C@H]1CCCCO1 ZINC001590766498 990571495 /nfs/dbraw/zinc/57/14/95/990571495.db2.gz WCZCNPQCMSQVIK-CYBMUJFWSA-N -2 3 393.864 3.051 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C1CCC1 ZINC001590774165 990575815 /nfs/dbraw/zinc/57/58/15/990575815.db2.gz FLEXHCMRKWZNPG-UHFFFAOYSA-N -2 3 396.328 3.313 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc2ccccc2c1 ZINC001590774230 990576605 /nfs/dbraw/zinc/57/66/05/990576605.db2.gz JIUDPAUYNIMJJL-UHFFFAOYSA-N -2 3 390.486 3.251 20 0 GGADHL CC(C)(NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1cc(C(=O)[O-])on1 ZINC001590859005 990750882 /nfs/dbraw/zinc/75/08/82/990750882.db2.gz ZHRUTCYJONZKSQ-UHFFFAOYSA-N -2 3 380.400 3.334 20 0 GGADHL CN(C)Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1Cl ZINC001598252468 991032183 /nfs/dbraw/zinc/03/21/83/991032183.db2.gz HRLMKDWVPJAWMV-UHFFFAOYSA-N -2 3 386.832 3.040 20 0 GGADHL COc1ccccc1C[C@@H](CNC(=O)c1cc2sccc2c([O-])c1)C(=O)[O-] ZINC001599710321 991360069 /nfs/dbraw/zinc/36/00/69/991360069.db2.gz RFYDHNQKCMCMCN-AWEZNQCLSA-N -2 3 385.441 3.289 20 0 GGADHL CC(C)CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CC1 ZINC001591197429 992018366 /nfs/dbraw/zinc/01/83/66/992018366.db2.gz GUYCUSIKHBUAGS-UHFFFAOYSA-N -2 3 394.262 3.143 20 0 GGADHL CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCO1 ZINC001591204969 992027148 /nfs/dbraw/zinc/02/71/48/992027148.db2.gz DMPUQLSNEGASLC-MNOVXSKESA-N -2 3 393.864 3.049 20 0 GGADHL CC(C)CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc(Cl)cc1 ZINC001591221349 992086369 /nfs/dbraw/zinc/08/63/69/992086369.db2.gz IJXMVIWLRJCMTD-CYBMUJFWSA-N -2 3 386.857 3.482 20 0 GGADHL CC(C)Cn1ncc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)c1C(C)C ZINC001591533928 992713751 /nfs/dbraw/zinc/71/37/51/992713751.db2.gz SDTAUQBNFVNCFA-UHFFFAOYSA-N -2 3 385.530 3.439 20 0 GGADHL COc1ccc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c(C(=O)[O-])c1 ZINC001599596418 993754647 /nfs/dbraw/zinc/75/46/47/993754647.db2.gz ZFQBBDPHLMNIOQ-UHFFFAOYSA-N -2 3 394.383 3.331 20 0 GGADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c(C(=O)[O-])c1 ZINC001599597834 993772053 /nfs/dbraw/zinc/77/20/53/993772053.db2.gz BFHVBXLFTCCFSM-UHFFFAOYSA-N -3 3 393.417 3.016 20 0 GGADHL C[C@@](NC(=O)c1cc(F)cc2n[n-]nc21)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593154856 993965680 /nfs/dbraw/zinc/96/56/80/993965680.db2.gz JUIMURIXFAJZFU-INIZCTEOSA-N -2 3 397.193 3.134 20 0 GGADHL C[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593156980 993980924 /nfs/dbraw/zinc/98/09/24/993980924.db2.gz ZJCATEZJEQUFDN-JTQLQIEISA-N -2 3 383.322 3.365 20 0 GGADHL C[C@](NC(=O)c1cnc(C2CC2)[n-]c1=O)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593184155 994087537 /nfs/dbraw/zinc/08/75/37/994087537.db2.gz ZPGYCXAPSXRONF-QGZVFWFLSA-N -2 3 396.230 3.096 20 0 GGADHL C[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593184425 994088483 /nfs/dbraw/zinc/08/84/83/994088483.db2.gz BUYKYGSXANQTKM-DOMZBBRYSA-N -2 3 398.846 3.243 20 0 GGADHL C[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593184427 994088725 /nfs/dbraw/zinc/08/87/25/994088725.db2.gz BUYKYGSXANQTKM-SWLSCSKDSA-N -2 3 398.846 3.243 20 0 GGADHL COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1sc(C)cc1C(=O)[O-])CC2 ZINC001599626323 994153599 /nfs/dbraw/zinc/15/35/99/994153599.db2.gz VUQXYJJIINCIER-UHFFFAOYSA-N -2 3 379.459 3.492 20 0 GGADHL C[C@H](NCc1ccc(C(=O)[O-])cc1Br)c1nc(C(F)(F)F)n[n-]1 ZINC001593295983 994693761 /nfs/dbraw/zinc/69/37/61/994693761.db2.gz IYLGLKJMVIWVCS-LURJTMIESA-N -2 3 393.163 3.135 20 0 GGADHL C[C@@](NCc1nc2c3ccccc3oc2c(=O)[n-]1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593312055 994792540 /nfs/dbraw/zinc/79/25/40/994792540.db2.gz NZMLCQMKFLZSRI-FQEVSTJZSA-N -2 3 381.363 3.310 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1nc(C(F)(F)F)cs1 ZINC001593326983 994884095 /nfs/dbraw/zinc/88/40/95/994884095.db2.gz RWVQWQKUDYSUDS-LURJTMIESA-N -2 3 398.359 3.039 20 0 GGADHL C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001593327109 994885884 /nfs/dbraw/zinc/88/58/84/994885884.db2.gz VFYWPRUKAVVKKE-UWVGGRQHSA-N -2 3 391.367 3.467 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ncc(C(=O)[O-])s1 ZINC001593330161 994890916 /nfs/dbraw/zinc/89/09/16/994890916.db2.gz FFFMVEGKVUJCIS-LURJTMIESA-N -2 3 381.262 3.188 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ncc(C(=O)[O-])s1 ZINC001593330533 994894504 /nfs/dbraw/zinc/89/45/04/994894504.db2.gz JPFZTEYJFGIJDR-LURJTMIESA-N -2 3 398.359 3.039 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593336900 994918094 /nfs/dbraw/zinc/91/80/94/994918094.db2.gz DJDVBZPOUVZVSE-RISCZKNCSA-N -2 3 385.844 3.089 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593336898 994918186 /nfs/dbraw/zinc/91/81/86/994918186.db2.gz DJDVBZPOUVZVSE-FZMZJTMJSA-N -2 3 385.844 3.089 20 0 GGADHL C[C@H](Oc1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1F)C(=O)[O-] ZINC001593632687 995920958 /nfs/dbraw/zinc/92/09/58/995920958.db2.gz XPSJECUNHIBPAF-QMMMGPOBSA-N -2 3 398.184 3.398 20 0 GGADHL COC(=O)Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2Cl)cc1[O-] ZINC001598887386 996924599 /nfs/dbraw/zinc/92/45/99/996924599.db2.gz YBHKGTRDQKVJDD-AWEZNQCLSA-N -2 3 379.752 3.207 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)cc1C(C)C ZINC001599393039 997074008 /nfs/dbraw/zinc/07/40/08/997074008.db2.gz FNGGABNTGRPGCS-UHFFFAOYSA-N -2 3 393.461 3.391 20 0 GGADHL COCc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cc(C(=O)[O-])cc2Cl)c1 ZINC001599295293 997128972 /nfs/dbraw/zinc/12/89/72/997128972.db2.gz UEVCNFFTVYHYDW-UHFFFAOYSA-N -2 3 399.852 3.302 20 0 GGADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc([O-])ccc2Cl)c(OC)c1 ZINC001599514420 997357478 /nfs/dbraw/zinc/35/74/78/997357478.db2.gz ROOUTORPNRLAMU-HNNXBMFYSA-N -2 3 379.796 3.009 20 0 GGADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc([O-])ccc2Cl)c(OC)c1 ZINC001599514421 997357536 /nfs/dbraw/zinc/35/75/36/997357536.db2.gz ROOUTORPNRLAMU-OAHLLOKOSA-N -2 3 379.796 3.009 20 0 GGADHL COc1ccc([C@@H]([N-]C(=O)C(F)(F)c2cc(Cl)ccc2OC)C(=O)[O-])cc1 ZINC001599521590 997489997 /nfs/dbraw/zinc/48/99/97/997489997.db2.gz WTSNWVYEJDBILJ-OAHLLOKOSA-N -2 3 399.777 3.391 20 0 GGADHL COc1cc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)ccc1C(=O)[O-] ZINC001599415516 997500502 /nfs/dbraw/zinc/50/05/02/997500502.db2.gz SOYOBBMKSIWAKE-UHFFFAOYSA-N -2 3 396.273 3.240 20 0 GGADHL COCC[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C)c1ccco1 ZINC001599216896 997599194 /nfs/dbraw/zinc/59/91/94/997599194.db2.gz SUXVLBRJVBPKPK-VIFPVBQESA-N -2 3 393.870 3.057 20 0 GGADHL C[C@]1([N-]S(=O)(=O)c2csnc2-c2ccccc2)CCCC[C@@H]1C(=O)[O-] ZINC001594066140 997878593 /nfs/dbraw/zinc/87/85/93/997878593.db2.gz QQUIDAHXWXGPLW-DYVFJYSZSA-N -2 3 380.491 3.122 20 0 GGADHL C[C@H]1CC(CC[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)C[C@H](C)O1 ZINC001594235373 998895183 /nfs/dbraw/zinc/89/51/83/998895183.db2.gz GHKDIEOJKOSEJA-UWVGGRQHSA-N -2 3 393.864 3.049 20 0 GGADHL C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)o1 ZINC001594280018 999086373 /nfs/dbraw/zinc/08/63/73/999086373.db2.gz NTMNZNNXQLKOHS-SCZZXKLOSA-N -2 3 387.816 3.372 20 0 GGADHL C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2Br)C1 ZINC001594309412 999194630 /nfs/dbraw/zinc/19/46/30/999194630.db2.gz WWTJZCSWZAWFOV-DTWKUNHWSA-N -2 3 394.262 3.001 20 0 GGADHL C[C@H]1CC[C@@]([N-]S(=O)(=O)c2c(F)cccc2F)(C(=O)[O-])c2ccccc21 ZINC001594326941 999257028 /nfs/dbraw/zinc/25/70/28/999257028.db2.gz QYGQFHUEGQGWPW-VOJFVSQTSA-N -2 3 381.400 3.121 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)[C@H]1CCC[C@@H](C)C1 ZINC001594356027 999343551 /nfs/dbraw/zinc/34/35/51/999343551.db2.gz PUEKWICOPKSLSW-UTLUCORTSA-N -2 3 394.287 3.233 20 0 GGADHL C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001594372298 999405997 /nfs/dbraw/zinc/40/59/97/999405997.db2.gz UJOOSZAZVGQOIO-ZWNOBZJWSA-N -2 3 393.864 3.051 20 0 GGADHL CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000096930713 208330094 /nfs/dbraw/zinc/33/00/94/208330094.db2.gz HOAZGGFHAPVZSM-XFFZJAGNSA-N -2 3 389.429 3.070 20 0 GGADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc(Oc4ccccc4)c3)ccc21 ZINC000097212435 208342246 /nfs/dbraw/zinc/34/22/46/208342246.db2.gz GDZLIRSGLRQZIZ-UHFFFAOYSA-N -2 3 394.408 3.163 20 0 GGADHL CCO[N-]C(=O)[C@H](C)SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000008768046 221057383 /nfs/dbraw/zinc/05/73/83/221057383.db2.gz NNADZRAEWXEPQS-NSHDSACASA-N -2 3 389.502 3.341 20 0 GGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000236427889 565938576 /nfs/dbraw/zinc/93/85/76/565938576.db2.gz PAEWQYXIPDMWLO-UHFFFAOYSA-N -2 3 384.679 3.026 20 0 GGADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000573255164 567699117 /nfs/dbraw/zinc/69/91/17/567699117.db2.gz MZZMECXWDBINET-VIFPVBQESA-N -2 3 384.679 3.024 20 0 GGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000115729855 564198428 /nfs/dbraw/zinc/19/84/28/564198428.db2.gz XQTZNXKSBPYQQZ-BDAKNGLRSA-N -2 3 384.317 3.068 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]c2c(F)cc(Br)cc2F)c1 ZINC000115896178 564200573 /nfs/dbraw/zinc/20/05/73/564200573.db2.gz OORLYCDSGIINLZ-UHFFFAOYSA-N -2 3 398.206 3.288 20 0 GGADHL Cc1cc(Cl)cc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1[O-] ZINC000116978673 564220495 /nfs/dbraw/zinc/22/04/95/564220495.db2.gz OMKGXQVIDIDNPQ-UHFFFAOYSA-N -2 3 386.857 3.276 20 0 GGADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2ccccc2SC2CCCC2)co1 ZINC000119073965 564253218 /nfs/dbraw/zinc/25/32/18/564253218.db2.gz VMJSVQFBRNIDSH-UHFFFAOYSA-N -2 3 380.491 3.475 20 0 GGADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000013346104 564276095 /nfs/dbraw/zinc/27/60/95/564276095.db2.gz JZUUASVHKPHYDY-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000024433521 564331007 /nfs/dbraw/zinc/33/10/07/564331007.db2.gz FKBLZDUCXXKRQR-UHFFFAOYSA-N -2 3 379.287 3.223 20 0 GGADHL O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1ccccc1[O-] ZINC000120940806 564343968 /nfs/dbraw/zinc/34/39/68/564343968.db2.gz UVYQGOYXWJBIKQ-UHFFFAOYSA-N -2 3 389.260 3.006 20 0 GGADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000036833115 564419417 /nfs/dbraw/zinc/41/94/17/564419417.db2.gz OWTGGWZRQAHZQY-UHFFFAOYSA-N -2 3 395.289 3.166 20 0 GGADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000036833088 564419842 /nfs/dbraw/zinc/41/98/42/564419842.db2.gz YNOYRUFHPHWKRW-UHFFFAOYSA-N -2 3 395.289 3.166 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccccc1Br)c1cccs1 ZINC000040428891 564427270 /nfs/dbraw/zinc/42/72/70/564427270.db2.gz PULZJFIIYXOWRL-JTQLQIEISA-N -2 3 390.280 3.005 20 0 GGADHL COc1cc(C(=O)[N-]c2n[n-]c(-c3ccc(C)o3)n2)sc1Br ZINC000123012064 564435186 /nfs/dbraw/zinc/43/51/86/564435186.db2.gz NUOMCFCMPDGKOF-UHFFFAOYSA-N -2 3 383.227 3.458 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])sc1Br ZINC000123582971 564453833 /nfs/dbraw/zinc/45/38/33/564453833.db2.gz RUPCVCXOSZYCMZ-UHFFFAOYSA-N -2 3 398.344 3.378 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])sc1Br ZINC000123583202 564454210 /nfs/dbraw/zinc/45/42/10/564454210.db2.gz FETVMMFAEINNRM-SCZZXKLOSA-N -2 3 398.344 3.377 20 0 GGADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1F ZINC000123768203 564461695 /nfs/dbraw/zinc/46/16/95/564461695.db2.gz YLZFTCOUHALEHM-UHFFFAOYSA-N -2 3 386.470 3.005 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1sccc1Br)c1cccs1 ZINC000048444406 564540164 /nfs/dbraw/zinc/54/01/64/564540164.db2.gz OHFMFLPHJBAPSV-QMMMGPOBSA-N -2 3 396.309 3.066 20 0 GGADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1ccc(Cl)s1 ZINC000127253559 564577789 /nfs/dbraw/zinc/57/77/89/564577789.db2.gz GEKVVCNEGLYJBP-UHFFFAOYSA-N -2 3 382.688 3.348 20 0 GGADHL Cc1ccc(Br)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000133130507 564763832 /nfs/dbraw/zinc/76/38/32/564763832.db2.gz YHRZURMRQXGZDE-UHFFFAOYSA-N -2 3 376.253 3.318 20 0 GGADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000134698014 564812987 /nfs/dbraw/zinc/81/29/87/564812987.db2.gz SQAXFAVVFLOHST-QMMMGPOBSA-N -2 3 384.317 3.068 20 0 GGADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000134697991 564812315 /nfs/dbraw/zinc/81/23/15/564812315.db2.gz SQAXFAVVFLOHST-MRVPVSSYSA-N -2 3 384.317 3.068 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)sc1Br ZINC000134700182 564812805 /nfs/dbraw/zinc/81/28/05/564812805.db2.gz LBPWEGCIECKLKJ-SECBINFHSA-N -2 3 398.344 3.377 20 0 GGADHL CC(C)c1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000135326692 564827880 /nfs/dbraw/zinc/82/78/80/564827880.db2.gz CBZXSVNDTCVCFX-UHFFFAOYSA-N -2 3 386.470 3.121 20 0 GGADHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000137253039 564860146 /nfs/dbraw/zinc/86/01/46/564860146.db2.gz IZERMBMYWFSZKU-UHFFFAOYSA-N -2 3 399.266 3.087 20 0 GGADHL Cc1sc(Br)cc1S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000149417565 564885903 /nfs/dbraw/zinc/88/59/03/564885903.db2.gz QKPOHJPUBBNPRY-UHFFFAOYSA-N -2 3 394.243 3.457 20 0 GGADHL CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000098092842 564912527 /nfs/dbraw/zinc/91/25/27/564912527.db2.gz POXQHXOUFHDYHK-UHFFFAOYSA-N -2 3 386.470 3.168 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1Br ZINC000153667052 565005333 /nfs/dbraw/zinc/00/53/33/565005333.db2.gz MCPXYJKFVLQOFS-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)o1 ZINC000291901614 565085286 /nfs/dbraw/zinc/08/52/86/565085286.db2.gz KZULDHBXQUFFRW-UHFFFAOYSA-N -2 3 393.248 3.029 20 0 GGADHL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000156576180 565095516 /nfs/dbraw/zinc/09/55/16/565095516.db2.gz ASWQUSDACLZFMF-UHFFFAOYSA-N -2 3 385.590 3.488 20 0 GGADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000157132685 565120133 /nfs/dbraw/zinc/12/01/33/565120133.db2.gz KAZBVWYGZWMQSW-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000184898216 565164852 /nfs/dbraw/zinc/16/48/52/565164852.db2.gz XHMZOQSJLMFFDZ-UWVGGRQHSA-N -2 3 383.363 3.232 20 0 GGADHL CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n1 ZINC000185006144 565170473 /nfs/dbraw/zinc/17/04/73/565170473.db2.gz CWWJMVIXFBEXHQ-UHFFFAOYSA-N -2 3 388.898 3.271 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)c1nc(C)cs1 ZINC000185008784 565171945 /nfs/dbraw/zinc/17/19/45/565171945.db2.gz KSSVZPHKZULTHB-NSHDSACASA-N -2 3 392.861 3.372 20 0 GGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)C2CC2)n1 ZINC000185064521 565175551 /nfs/dbraw/zinc/17/55/51/565175551.db2.gz LSPVQDUUBFDRNB-HNNXBMFYSA-N -2 3 380.491 3.196 20 0 GGADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)C2CC2)s1 ZINC000185067251 565176376 /nfs/dbraw/zinc/17/63/76/565176376.db2.gz ZKUIPDSNPHRVTO-OAHLLOKOSA-N -2 3 380.491 3.196 20 0 GGADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)on1 ZINC000185069896 565176637 /nfs/dbraw/zinc/17/66/37/565176637.db2.gz LCEDCVUGBHBINH-UHFFFAOYSA-N -2 3 386.857 3.408 20 0 GGADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)on1 ZINC000185069268 565176853 /nfs/dbraw/zinc/17/68/53/565176853.db2.gz ULMWSGZJZJPRQJ-UHFFFAOYSA-N -2 3 386.857 3.408 20 0 GGADHL COc1cc(Br)cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000185605884 565211320 /nfs/dbraw/zinc/21/13/20/565211320.db2.gz LBAGJORHFKYLAB-UHFFFAOYSA-N -2 3 376.203 3.103 20 0 GGADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2ccccc2SCC(F)(F)F)co1 ZINC000162476968 565317745 /nfs/dbraw/zinc/31/77/45/565317745.db2.gz TUSSGDPSYBEFJV-UHFFFAOYSA-N -2 3 394.396 3.094 20 0 GGADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCCC1 ZINC000165354875 565369718 /nfs/dbraw/zinc/36/97/18/565369718.db2.gz UILQUGYYMDOHFX-UHFFFAOYSA-N -2 3 396.690 3.026 20 0 GGADHL CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000188933099 565434346 /nfs/dbraw/zinc/43/43/46/565434346.db2.gz MIKSGNREKLJAOU-UHFFFAOYSA-N -2 3 386.470 3.121 20 0 GGADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000300189214 565461716 /nfs/dbraw/zinc/46/17/16/565461716.db2.gz ASALTQRSRWGQGI-NSHDSACASA-N -2 3 384.679 3.024 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c(Br)c1 ZINC000386430148 565548060 /nfs/dbraw/zinc/54/80/60/565548060.db2.gz OYCYQQAMEOHOKM-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1c(Br)cc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)[O-] ZINC000388206066 565550565 /nfs/dbraw/zinc/55/05/65/565550565.db2.gz PGPLNBDGGJCITO-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)o1 ZINC000388626753 565551768 /nfs/dbraw/zinc/55/17/68/565551768.db2.gz OJORPOYFMWRHOU-UHFFFAOYSA-N -2 3 384.624 3.417 20 0 GGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000389219496 565553279 /nfs/dbraw/zinc/55/32/79/565553279.db2.gz DYMQZROTFYAXBU-UWVGGRQHSA-N -2 3 396.278 3.146 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)cc1F ZINC000389184255 565553424 /nfs/dbraw/zinc/55/34/24/565553424.db2.gz RKIOYKWVTNKLAC-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000391749408 565561483 /nfs/dbraw/zinc/56/14/83/565561483.db2.gz WNIAUXPVECAPBO-MRVPVSSYSA-N -2 3 384.679 3.024 20 0 GGADHL Cc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(O)cc3C)cc2s1 ZINC000392247597 565564053 /nfs/dbraw/zinc/56/40/53/565564053.db2.gz RLAZSYFIYAUJTR-UHFFFAOYSA-N -2 3 378.431 3.118 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1C(=O)[O-] ZINC000392290126 565564316 /nfs/dbraw/zinc/56/43/16/565564316.db2.gz ONTFEUFNHFJTND-UHFFFAOYSA-N -2 3 385.825 3.246 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1C(=O)[O-] ZINC000393016230 565567471 /nfs/dbraw/zinc/56/74/71/565567471.db2.gz PGKOLLMIURGKTP-UHFFFAOYSA-N -2 3 375.324 3.002 20 0 GGADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000392765989 565567554 /nfs/dbraw/zinc/56/75/54/565567554.db2.gz SUYTVBBUXSOSLK-UHFFFAOYSA-N -2 3 387.772 3.015 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000393135674 565568369 /nfs/dbraw/zinc/56/83/69/565568369.db2.gz BLWPULTWFMOCOW-UHFFFAOYSA-N -2 3 375.324 3.235 20 0 GGADHL CSCC[C@@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(=O)[O-] ZINC000314205819 565585668 /nfs/dbraw/zinc/58/56/68/565585668.db2.gz JOAUXVDQJIIEHO-SNVBAGLBSA-N -2 3 386.322 3.095 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(F)cc1Br ZINC000314048925 565586234 /nfs/dbraw/zinc/58/62/34/565586234.db2.gz OWXCMLOIHVFDLM-UHFFFAOYSA-N -2 3 394.243 3.457 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c(F)c1 ZINC000316398702 565591333 /nfs/dbraw/zinc/59/13/33/565591333.db2.gz LXTSTPBXRRWGPN-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000316781244 565592490 /nfs/dbraw/zinc/59/24/90/565592490.db2.gz GGQXLZGOYNXZEX-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CCn1cc(S(=O)(=O)[N-]c2cc(C)ccc2Br)cc1C(=O)[O-] ZINC000316750759 565592720 /nfs/dbraw/zinc/59/27/20/565592720.db2.gz DWVPIIAOEVKJSM-UHFFFAOYSA-N -2 3 387.255 3.078 20 0 GGADHL Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000316792100 565592978 /nfs/dbraw/zinc/59/29/78/565592978.db2.gz KULADQPUWFFGER-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000317795994 565595548 /nfs/dbraw/zinc/59/55/48/565595548.db2.gz VRRZSDMEPWNICF-NXEZZACHSA-N -2 3 396.278 3.146 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1F ZINC000319580495 565599886 /nfs/dbraw/zinc/59/98/86/565599886.db2.gz SBWNWRIRAQRYQT-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)ccc1C(=O)[O-] ZINC000319775962 565600859 /nfs/dbraw/zinc/60/08/59/565600859.db2.gz YWIVSRYZCIHVPB-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])c1Cl ZINC000323324084 565613125 /nfs/dbraw/zinc/61/31/25/565613125.db2.gz JXTGWPNFCUUAKS-MRVPVSSYSA-N -2 3 394.198 3.294 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccccc1Cl ZINC000323861990 565615419 /nfs/dbraw/zinc/61/54/19/565615419.db2.gz RMQDPSBJEFCRRX-CYBMUJFWSA-N -2 3 378.208 3.237 20 0 GGADHL O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000325847651 565622293 /nfs/dbraw/zinc/62/22/93/565622293.db2.gz SNNQYWPNGBMALQ-AWEZNQCLSA-N -2 3 388.272 3.358 20 0 GGADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCCC1 ZINC000325828193 565622704 /nfs/dbraw/zinc/62/27/04/565622704.db2.gz VUASANWGEOKLAI-UHFFFAOYSA-N -2 3 385.791 3.282 20 0 GGADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-])c1Cl ZINC000326313662 565623739 /nfs/dbraw/zinc/62/37/39/565623739.db2.gz MGIANYGCURVBOM-NSHDSACASA-N -2 3 398.308 3.157 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)cc1Cl ZINC000327079576 565627423 /nfs/dbraw/zinc/62/74/23/565627423.db2.gz GCNXXUSKYIVMAS-UHFFFAOYSA-N -2 3 390.200 3.221 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000327632696 565631987 /nfs/dbraw/zinc/63/19/87/565631987.db2.gz QQGJRMAZWFRYJN-UHFFFAOYSA-N -2 3 379.287 3.223 20 0 GGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000327535180 565632221 /nfs/dbraw/zinc/63/22/21/565632221.db2.gz UHIJEIQVMNBPGK-UHFFFAOYSA-N -3 3 383.809 3.100 20 0 GGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000191879555 565638841 /nfs/dbraw/zinc/63/88/41/565638841.db2.gz PFKUNDSSKPUEIV-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2Cl)c[nH]1 ZINC000410397880 565683039 /nfs/dbraw/zinc/68/30/39/565683039.db2.gz MXFXEMRSTMXOMK-UHFFFAOYSA-N -2 3 397.609 3.069 20 0 GGADHL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1C(=O)[O-] ZINC000410424786 565685960 /nfs/dbraw/zinc/68/59/60/565685960.db2.gz UURXKQRAYWYIDY-UHFFFAOYSA-N -2 3 381.212 3.453 20 0 GGADHL Cc1c(Br)ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1F ZINC000193468729 565754330 /nfs/dbraw/zinc/75/43/30/565754330.db2.gz VOERZLGDJXYAAM-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]c2c(F)cccc2Br)c1 ZINC000227782395 565923776 /nfs/dbraw/zinc/92/37/76/565923776.db2.gz FNNJLJDVVDDUIN-UHFFFAOYSA-N -2 3 380.216 3.149 20 0 GGADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235437848 565937010 /nfs/dbraw/zinc/93/70/10/565937010.db2.gz BMPZTWHTYULUKC-MRVPVSSYSA-N -2 3 384.679 3.024 20 0 GGADHL Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)c([O-])c1 ZINC000237611785 565965122 /nfs/dbraw/zinc/96/51/22/565965122.db2.gz BYFMVZYYDTVHSB-CQSZACIVSA-N -2 3 378.222 3.409 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000238124642 565980040 /nfs/dbraw/zinc/98/00/40/565980040.db2.gz GQEQSYXWCQHLFF-UHFFFAOYSA-N -2 3 377.315 3.021 20 0 GGADHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000179616235 565994366 /nfs/dbraw/zinc/99/43/66/565994366.db2.gz PQQRZLOAWPWOLW-UHFFFAOYSA-N -2 3 399.266 3.087 20 0 GGADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(Br)ccc1[O-] ZINC000179655454 565996399 /nfs/dbraw/zinc/99/63/99/565996399.db2.gz YYUMGMYTJGLVTF-UHFFFAOYSA-N -2 3 380.242 3.096 20 0 GGADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000262448222 566153315 /nfs/dbraw/zinc/15/33/15/566153315.db2.gz QRCKZJHHXHIGJJ-UHFFFAOYSA-N -2 3 396.690 3.024 20 0 GGADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CC1 ZINC000262638180 566156783 /nfs/dbraw/zinc/15/67/83/566156783.db2.gz NSXCEJBYBUHSMI-UHFFFAOYSA-N -2 3 396.690 3.024 20 0 GGADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000575225267 566261764 /nfs/dbraw/zinc/26/17/64/566261764.db2.gz IFBSJZYIWDRZLL-SSDOTTSWSA-N -2 3 399.696 3.043 20 0 GGADHL CSc1cc(F)ccc1[N-]C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000648619532 566297882 /nfs/dbraw/zinc/29/78/82/566297882.db2.gz HHEDGJJUXKEZRU-UHFFFAOYSA-N -2 3 386.470 3.470 20 0 GGADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000462411303 566298079 /nfs/dbraw/zinc/29/80/79/566298079.db2.gz QWUMNXRKTGKTJS-LLVKDONJSA-N -2 3 384.679 3.024 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1F ZINC000509398063 566300098 /nfs/dbraw/zinc/30/00/98/566300098.db2.gz ZHKWZZZCPVWZJT-UHFFFAOYSA-N -2 3 375.324 3.235 20 0 GGADHL O=C(Nc1cc(F)ccc1[O-])c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000535413628 566302801 /nfs/dbraw/zinc/30/28/01/566302801.db2.gz DYGJHFQFGIDYEN-UHFFFAOYSA-N -2 3 377.169 3.388 20 0 GGADHL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000535687681 566319494 /nfs/dbraw/zinc/31/94/94/566319494.db2.gz DEENDXQUEKSRHQ-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000576276302 566331291 /nfs/dbraw/zinc/33/12/91/566331291.db2.gz DMYGYMVDYPHZND-JTQLQIEISA-N -2 3 394.396 3.290 20 0 GGADHL O=C(N=c1[n-]nc(-c2ccco2)s1)NCc1ccc([O-])c(Br)c1 ZINC000483008749 566352132 /nfs/dbraw/zinc/35/21/32/566352132.db2.gz IASIEKABHPZJLO-UHFFFAOYSA-N -2 3 395.238 3.010 20 0 GGADHL O=C([O-])c1cnc(C=CC2=Cc3cc(Br)ccc3OC2)[n-]c1=O ZINC000670370093 566357093 /nfs/dbraw/zinc/35/70/93/566357093.db2.gz WMMZLSMUUOAQQI-DAFODLJHSA-N -2 3 375.178 3.132 20 0 GGADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1c[n-]c2ccncc2c1=O ZINC000557636144 566404512 /nfs/dbraw/zinc/40/45/12/566404512.db2.gz VTZROVKOLZTTHS-UHFFFAOYSA-N -2 3 394.612 3.297 20 0 GGADHL O=c1[n-]c(-c2n[n-]c(-c3cccc(Br)c3)n2)nc2cccc(F)c12 ZINC000671192490 566408530 /nfs/dbraw/zinc/40/85/30/566408530.db2.gz RXJOFMMUYGKDND-UHFFFAOYSA-N -2 3 386.184 3.277 20 0 GGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000577213592 566414036 /nfs/dbraw/zinc/41/40/36/566414036.db2.gz SNXDLIJEFOKIGU-ZJUUUORDSA-N -2 3 399.843 3.499 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)c(Cl)c1Cl ZINC000577385147 566430162 /nfs/dbraw/zinc/43/01/62/566430162.db2.gz DQXRMEISQUPFFK-GZMMTYOYSA-N -2 3 384.281 3.026 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1Br ZINC000484529212 566433888 /nfs/dbraw/zinc/43/38/88/566433888.db2.gz KXQVAXSCRXLESG-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000671645026 566433986 /nfs/dbraw/zinc/43/39/86/566433986.db2.gz GZZBHLHUHKZOKG-NSHDSACASA-N -2 3 385.791 3.281 20 0 GGADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3F)cc(Cl)c2O1 ZINC000484576733 566437652 /nfs/dbraw/zinc/43/76/52/566437652.db2.gz SPNSJKMWFUDAOK-QMMMGPOBSA-N -2 3 385.800 3.302 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1cccs1 ZINC000650238566 566440695 /nfs/dbraw/zinc/44/06/95/566440695.db2.gz IKXDZWZVRDBKAI-SNVBAGLBSA-N -2 3 379.381 3.261 20 0 GGADHL C[C@@](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)(C(=O)[O-])c1ccccc1 ZINC000650234483 566440982 /nfs/dbraw/zinc/44/09/82/566440982.db2.gz FSPGDFBINDTADW-AWEZNQCLSA-N -2 3 393.408 3.088 20 0 GGADHL COc1ccc([O-])c(C(=O)N[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])c1 ZINC000537366388 566442430 /nfs/dbraw/zinc/44/24/30/566442430.db2.gz OZUUPAOFUNBSEY-CQSZACIVSA-N -2 3 384.215 3.133 20 0 GGADHL C[C@H]([C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000577720120 566459934 /nfs/dbraw/zinc/45/99/34/566459934.db2.gz FCECMSNZLIOJHI-MADCSZMMSA-N -2 3 385.791 3.136 20 0 GGADHL O=C([O-])CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000484851068 566460304 /nfs/dbraw/zinc/46/03/04/566460304.db2.gz OTKUKYGZKYRJSQ-ZDUSSCGKSA-N -2 3 385.844 3.234 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000484941914 566465006 /nfs/dbraw/zinc/46/50/06/566465006.db2.gz ZJQTVKAGTUHBLG-UHFFFAOYSA-N -2 3 375.324 3.213 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC(C)(C)c1cccc(C)c1 ZINC000578503824 566528626 /nfs/dbraw/zinc/52/86/26/566528626.db2.gz QCLKQSNQQZVWSC-UHFFFAOYSA-N -2 3 383.491 3.019 20 0 GGADHL CCC(CC)(C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000424362834 566530380 /nfs/dbraw/zinc/53/03/80/566530380.db2.gz BBCBDEWSVSCUFF-UHFFFAOYSA-N -2 3 398.706 3.272 20 0 GGADHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc(Br)c2[O-])c1 ZINC000538765818 566534809 /nfs/dbraw/zinc/53/48/09/566534809.db2.gz KXZXWYUNXWTERC-UHFFFAOYSA-N -2 3 399.266 3.087 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CC(=O)[O-])c(Cl)c1Cl ZINC000578612268 566539011 /nfs/dbraw/zinc/53/90/11/566539011.db2.gz AAWBTHQVKROFKY-NXEZZACHSA-N -2 3 396.292 3.314 20 0 GGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)c1ccccc1 ZINC000578745469 566549657 /nfs/dbraw/zinc/54/96/57/566549657.db2.gz WLZHKCOTGNCKMF-LLVKDONJSA-N -2 3 377.340 3.258 20 0 GGADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)ccc1Cl ZINC000466350106 566567852 /nfs/dbraw/zinc/56/78/52/566567852.db2.gz NZZOPQDVGABOEZ-UHFFFAOYSA-N -2 3 382.825 3.106 20 0 GGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cc(OC)ccc1Cl)C(=O)[O-] ZINC000559797713 566570341 /nfs/dbraw/zinc/57/03/41/566570341.db2.gz QLXUMCWSHRBVBU-LBPRGKRZSA-N -2 3 377.890 3.298 20 0 GGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cc(OC)ccc1Cl)C(=O)[O-] ZINC000559797712 566570762 /nfs/dbraw/zinc/57/07/62/566570762.db2.gz QLXUMCWSHRBVBU-GFCCVEGCSA-N -2 3 377.890 3.298 20 0 GGADHL COc1ccc2nc(-c3ccc(I)c([O-])c3)[n-]c(=O)c2c1 ZINC000539531543 566586847 /nfs/dbraw/zinc/58/68/47/566586847.db2.gz RSCJFBCRTOESQE-UHFFFAOYSA-N -2 3 394.168 3.321 20 0 GGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1C ZINC000539854772 566608933 /nfs/dbraw/zinc/60/89/33/566608933.db2.gz QNRRZRRJAVANHQ-UHFFFAOYSA-N -2 3 383.853 3.475 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000605496018 566610124 /nfs/dbraw/zinc/61/01/24/566610124.db2.gz IROWGXOBYWUKDG-SNVBAGLBSA-N -2 3 381.837 3.471 20 0 GGADHL CC(C)Sc1ccc([C@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000579468347 566610643 /nfs/dbraw/zinc/61/06/43/566610643.db2.gz AHGBJUGYHGRXAG-JTQLQIEISA-N -2 3 386.520 3.381 20 0 GGADHL CC(C)Sc1ccc([C@@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000579468348 566611177 /nfs/dbraw/zinc/61/11/77/566611177.db2.gz AHGBJUGYHGRXAG-SNVBAGLBSA-N -2 3 386.520 3.381 20 0 GGADHL CS(=O)(=O)[N-]c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])ccc1F ZINC000539930635 566615389 /nfs/dbraw/zinc/61/53/89/566615389.db2.gz FNIMJABQGOVQBR-UHFFFAOYSA-N -2 3 393.223 3.462 20 0 GGADHL COc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc(Cl)c1[O-] ZINC000513752038 566620506 /nfs/dbraw/zinc/62/05/06/566620506.db2.gz NFKKYHIQNKAGTF-UHFFFAOYSA-N -2 3 396.628 3.139 20 0 GGADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCC1 ZINC000560417798 566623771 /nfs/dbraw/zinc/62/37/71/566623771.db2.gz YBDQZFUIFSSOSS-UHFFFAOYSA-N -2 3 387.885 3.052 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000486872563 566631314 /nfs/dbraw/zinc/63/13/14/566631314.db2.gz ZHJPKEPEZOJQEM-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000486872563 566631318 /nfs/dbraw/zinc/63/13/18/566631318.db2.gz ZHJPKEPEZOJQEM-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL CCSc1cccc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)c1 ZINC000540293446 566642137 /nfs/dbraw/zinc/64/21/37/566642137.db2.gz WBFOTBVRMVZWJC-UHFFFAOYSA-N -2 3 381.475 3.235 20 0 GGADHL CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000629334344 566646241 /nfs/dbraw/zinc/64/62/41/566646241.db2.gz JZCXKTLBUXHXMT-CYBMUJFWSA-N -2 3 383.491 3.145 20 0 GGADHL CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000629337291 566646304 /nfs/dbraw/zinc/64/63/04/566646304.db2.gz XIRQPCSOEZESQL-UHFFFAOYSA-N -2 3 399.843 3.397 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](c1cccc(C)c1)C(C)C ZINC000629343537 566647398 /nfs/dbraw/zinc/64/73/98/566647398.db2.gz YCGVTVATNCRXMV-HNNXBMFYSA-N -2 3 383.491 3.439 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)c1 ZINC000540498016 566654604 /nfs/dbraw/zinc/65/46/04/566654604.db2.gz NLAWXRPXUSRUJP-UHFFFAOYSA-N -2 3 379.825 3.041 20 0 GGADHL CC[C@@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000514724623 566665800 /nfs/dbraw/zinc/66/58/00/566665800.db2.gz GFTPANWHTFYKTE-SECBINFHSA-N -2 3 394.396 3.290 20 0 GGADHL COc1ccc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Br)cc2)c1 ZINC000540671953 566665690 /nfs/dbraw/zinc/66/56/90/566665690.db2.gz CFGSWZKFMZGATK-AWEZNQCLSA-N -2 3 394.221 3.109 20 0 GGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000487422947 566671065 /nfs/dbraw/zinc/67/10/65/566671065.db2.gz XYDHNPLCBHVWJF-NOZJJQNGSA-N -2 3 383.363 3.171 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653495142 566671695 /nfs/dbraw/zinc/67/16/95/566671695.db2.gz WJYXNZOVHGIRAJ-INTQDDNPSA-N -2 3 380.293 3.407 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653495141 566672274 /nfs/dbraw/zinc/67/22/74/566672274.db2.gz WJYXNZOVHGIRAJ-DVVUODLYSA-N -2 3 380.293 3.407 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(Cl)cc1F ZINC000653493964 566672638 /nfs/dbraw/zinc/67/26/38/566672638.db2.gz LRRNRDLAGDBCAD-GARJFASQSA-N -2 3 377.865 3.201 20 0 GGADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)s1 ZINC000515027925 566685956 /nfs/dbraw/zinc/68/59/56/566685956.db2.gz DSWDOPNLKPZOQD-GFCCVEGCSA-N -2 3 395.289 3.117 20 0 GGADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)n1 ZINC000541001320 566685992 /nfs/dbraw/zinc/68/59/92/566685992.db2.gz WFDOFPPZPNLGFT-UHFFFAOYSA-N -2 3 396.877 3.169 20 0 GGADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc([O-])cc(Br)c1 ZINC000515367603 566708499 /nfs/dbraw/zinc/70/84/99/566708499.db2.gz UARWNKYTJPPEII-UHFFFAOYSA-N -2 3 388.287 3.350 20 0 GGADHL CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000580890977 566732389 /nfs/dbraw/zinc/73/23/89/566732389.db2.gz UKYPRSDNOURIHN-OTYXRUKQSA-N -2 3 389.882 3.154 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1C(F)(F)F ZINC000677234633 566732983 /nfs/dbraw/zinc/73/29/83/566732983.db2.gz ZHNZDNWZDAFYGD-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL COc1cc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc(Br)c1[O-] ZINC000426825752 566733360 /nfs/dbraw/zinc/73/33/60/566733360.db2.gz MWCFCXQKZRZICW-AWEZNQCLSA-N -2 3 384.201 3.218 20 0 GGADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cscc2C)c(F)c1 ZINC000451026240 566737140 /nfs/dbraw/zinc/73/71/40/566737140.db2.gz SAMYPIXUIXENKT-UHFFFAOYSA-N -2 3 392.499 3.148 20 0 GGADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)CCC2)n1 ZINC000581070285 566747817 /nfs/dbraw/zinc/74/78/17/566747817.db2.gz TZGBOCNNRXKKQU-UHFFFAOYSA-N -2 3 386.882 3.161 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)s2)cs1 ZINC000581186556 566757377 /nfs/dbraw/zinc/75/73/77/566757377.db2.gz PXFWBMPEMAFZPS-YMTOWFKASA-N -2 3 388.536 3.204 20 0 GGADHL CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)o1 ZINC000427238084 566759309 /nfs/dbraw/zinc/75/93/09/566759309.db2.gz SQNVMZYGHXDKIJ-UHFFFAOYSA-N -2 3 386.857 3.074 20 0 GGADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CCSc2ccccc2)C(=O)[O-])c1 ZINC000516693304 566778960 /nfs/dbraw/zinc/77/89/60/566778960.db2.gz PLWBUBRDRNFQHS-HNNXBMFYSA-N -2 3 383.466 3.048 20 0 GGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000562360660 566785716 /nfs/dbraw/zinc/78/57/16/566785716.db2.gz UVAMLEWXSFRAMJ-SECBINFHSA-N -2 3 398.706 3.414 20 0 GGADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CCSc1ccccc1)C(=O)[O-] ZINC000517002526 566798141 /nfs/dbraw/zinc/79/81/41/566798141.db2.gz RWKSOQACWPNKDY-OAHLLOKOSA-N -2 3 383.466 3.048 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1Cl ZINC000678478331 566802713 /nfs/dbraw/zinc/80/27/13/566802713.db2.gz IJXWSTXASBEIAR-UHFFFAOYSA-N -2 3 381.837 3.482 20 0 GGADHL CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000469895445 566824884 /nfs/dbraw/zinc/82/48/84/566824884.db2.gz BTXKRZFZEWQGAM-ZDUSSCGKSA-N -2 3 375.874 3.051 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1F ZINC000562817714 566825108 /nfs/dbraw/zinc/82/51/08/566825108.db2.gz QCOXHLMGKODMCC-LLVKDONJSA-N -2 3 383.344 3.010 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)CC(=O)[O-] ZINC000542840926 566830921 /nfs/dbraw/zinc/83/09/21/566830921.db2.gz INRRYCMWVYUSDU-JTQLQIEISA-N -2 3 396.278 3.004 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000632055893 566844837 /nfs/dbraw/zinc/84/48/37/566844837.db2.gz KWCIWGJPKNRFPA-VIFPVBQESA-N -2 3 396.412 3.306 20 0 GGADHL O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1ccc(Br)c([O-])c1 ZINC000490404039 566846915 /nfs/dbraw/zinc/84/69/15/566846915.db2.gz YSCBUHXPJKUZNG-UHFFFAOYSA-N -2 3 394.175 3.497 20 0 GGADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000582531165 566872165 /nfs/dbraw/zinc/87/21/65/566872165.db2.gz WLAYHRBAYPOUBL-VIFPVBQESA-N -2 3 384.679 3.024 20 0 GGADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000582590240 566877773 /nfs/dbraw/zinc/87/77/73/566877773.db2.gz HBJYPAFZSYIJQM-WCQYABFASA-N -2 3 379.400 3.407 20 0 GGADHL O=C([O-])[C@@H](CCSc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000518451209 566884367 /nfs/dbraw/zinc/88/43/67/566884367.db2.gz CUQWOQJHZLTXLL-LLVKDONJSA-N -2 3 391.923 3.315 20 0 GGADHL O=C([O-])[C@H](CCSc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000518451210 566884455 /nfs/dbraw/zinc/88/44/55/566884455.db2.gz CUQWOQJHZLTXLL-NSHDSACASA-N -2 3 391.923 3.315 20 0 GGADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cc(Cl)cc(Br)c2)CC1 ZINC000656508988 566905999 /nfs/dbraw/zinc/90/59/99/566905999.db2.gz HWGPFOAYYSXZTQ-UHFFFAOYSA-N -2 3 396.690 3.024 20 0 GGADHL C[C@@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000656519122 566907453 /nfs/dbraw/zinc/90/74/53/566907453.db2.gz FRAARHNAOAKDME-TVQRCGJNSA-N -2 3 393.408 3.302 20 0 GGADHL C[C@@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000656519123 566907839 /nfs/dbraw/zinc/90/78/39/566907839.db2.gz FRAARHNAOAKDME-ZANVPECISA-N -2 3 393.408 3.302 20 0 GGADHL Cc1oc(C[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc1C(=O)[O-] ZINC000543788912 566911622 /nfs/dbraw/zinc/91/16/22/566911622.db2.gz ZYBNAWVEXVPNJG-UHFFFAOYSA-N -2 3 378.233 3.380 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](c1ccc(C)cc1)C1CC1 ZINC000518972130 566913207 /nfs/dbraw/zinc/91/32/07/566913207.db2.gz NPSZKRCUHDIECO-HNNXBMFYSA-N -2 3 381.475 3.193 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](c1ccc(C)cc1)C1CC1 ZINC000518972131 566913405 /nfs/dbraw/zinc/91/34/05/566913405.db2.gz NPSZKRCUHDIECO-OAHLLOKOSA-N -2 3 381.475 3.193 20 0 GGADHL CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000563814471 566919543 /nfs/dbraw/zinc/91/95/43/566919543.db2.gz SVQRNVOZAIRLAK-UHFFFAOYSA-N -2 3 386.495 3.081 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1CCC(=O)[O-] ZINC000519096299 566920525 /nfs/dbraw/zinc/92/05/25/566920525.db2.gz QDOCWMZVGZYEKV-WCQYABFASA-N -2 3 375.874 3.051 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1(c2ccccc2)CCCC1 ZINC000519149868 566923997 /nfs/dbraw/zinc/92/39/97/566923997.db2.gz MYMGSHIMESEHCO-UHFFFAOYSA-N -2 3 381.475 3.203 20 0 GGADHL CO[C@H](CS(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-])C1CCCC1 ZINC000656624640 566926532 /nfs/dbraw/zinc/92/65/32/566926532.db2.gz RJTNRSGOWMYMSG-CYBMUJFWSA-N -2 3 375.874 3.294 20 0 GGADHL C[C@]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)(C(=O)[O-])C1CC1 ZINC000519394283 566937318 /nfs/dbraw/zinc/93/73/18/566937318.db2.gz DILPXMTYDPKNJW-QGZVFWFLSA-N -2 3 387.885 3.051 20 0 GGADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000564199968 566955170 /nfs/dbraw/zinc/95/51/70/566955170.db2.gz PHYYQWJWPQWZRQ-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3cccc(C(=O)[O-])c3)s2)cs1 ZINC000564276489 566960178 /nfs/dbraw/zinc/96/01/78/566960178.db2.gz STVYWWBJKWGPPS-UHFFFAOYSA-N -2 3 394.499 3.357 20 0 GGADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000519806985 566970264 /nfs/dbraw/zinc/97/02/64/566970264.db2.gz LGBSXWFSPNMXKU-QMMMGPOBSA-N -2 3 384.679 3.024 20 0 GGADHL CC(C)[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000583691834 566974175 /nfs/dbraw/zinc/97/41/75/566974175.db2.gz QUDWBBSAJDUIMZ-AWEZNQCLSA-N -2 3 385.816 3.109 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)c1cccs1 ZINC000681557769 566985688 /nfs/dbraw/zinc/98/56/88/566985688.db2.gz MRRYJKROLPPQJG-LBPRGKRZSA-N -2 3 394.499 3.366 20 0 GGADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000564553001 566985924 /nfs/dbraw/zinc/98/59/24/566985924.db2.gz FMZHXTPSEATVEU-NSHDSACASA-N -2 3 381.759 3.177 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1cc(F)ccc1F ZINC000681566745 566987011 /nfs/dbraw/zinc/98/70/11/566987011.db2.gz ONXOKMVRSFCOQJ-LBPRGKRZSA-N -2 3 396.198 3.376 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)CC(=O)[O-] ZINC000681576592 566988165 /nfs/dbraw/zinc/98/81/65/566988165.db2.gz RJWMQMMCPDRZID-UHFFFAOYSA-N -2 3 388.898 3.243 20 0 GGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Cc1ccccc1 ZINC000681577655 566989854 /nfs/dbraw/zinc/98/98/54/566989854.db2.gz VRCHVMNRDALXFL-GFCCVEGCSA-N -2 3 388.272 3.215 20 0 GGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)Cc1ccccc1 ZINC000681577145 566990205 /nfs/dbraw/zinc/99/02/05/566990205.db2.gz MKFFPZKWJIEBHD-GFCCVEGCSA-N -2 3 388.272 3.215 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(CSC)c2)cc1C(=O)[O-] ZINC000520256515 566993913 /nfs/dbraw/zinc/99/39/13/566993913.db2.gz JOAUNHULBYSOJP-UHFFFAOYSA-N -2 3 381.475 3.447 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1F ZINC000564699706 567000749 /nfs/dbraw/zinc/00/07/49/567000749.db2.gz KOPOWHUBCPTQEK-ZDUSSCGKSA-N -2 3 378.208 3.237 20 0 GGADHL COc1ccc(CN=c2[n-]nc(CC3CCCC3)o2)c(Br)c1[O-] ZINC000544875614 567003720 /nfs/dbraw/zinc/00/37/20/567003720.db2.gz IXKSIGJAZYQKIS-UHFFFAOYSA-N -2 3 382.258 3.313 20 0 GGADHL Cc1csc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)CCC2)n1 ZINC000544926028 567007733 /nfs/dbraw/zinc/00/77/33/567007733.db2.gz AZKPLEMATXIRRL-UHFFFAOYSA-N -2 3 386.882 3.161 20 0 GGADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000564808925 567010679 /nfs/dbraw/zinc/01/06/79/567010679.db2.gz CXYZZXGWNPJYTN-MNOVXSKESA-N -2 3 397.827 3.253 20 0 GGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000430368098 567012519 /nfs/dbraw/zinc/01/25/19/567012519.db2.gz DQRIOEKXUPJLSM-UHFFFAOYSA-N -2 3 384.679 3.026 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)c(Cl)c1Cl ZINC000564843144 567013096 /nfs/dbraw/zinc/01/30/96/567013096.db2.gz HAPIRWBIGCBLKS-SECBINFHSA-N -2 3 398.308 3.417 20 0 GGADHL COc1ccc(CN[C@H](C)c2ncc(C(=O)[O-])s2)c(Br)c1[O-] ZINC000584113796 567014197 /nfs/dbraw/zinc/01/41/97/567014197.db2.gz IQXWOLDFUORCIC-SSDOTTSWSA-N -2 3 387.255 3.169 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(Cl)ccc32)c1 ZINC000564920092 567021506 /nfs/dbraw/zinc/02/15/06/567021506.db2.gz YUQXHPAUZLMTQV-GFCCVEGCSA-N -2 3 387.866 3.292 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000584264089 567025865 /nfs/dbraw/zinc/02/58/65/567025865.db2.gz HTMZBGHAIUEXDG-GFCCVEGCSA-N -2 3 393.408 3.146 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@](C)(CC(=O)[O-])C(C)C)s2)cs1 ZINC000521039788 567037515 /nfs/dbraw/zinc/03/75/15/567037515.db2.gz PROLJTQDRUNEJX-OAHLLOKOSA-N -2 3 388.536 3.348 20 0 GGADHL O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000545444921 567051089 /nfs/dbraw/zinc/05/10/89/567051089.db2.gz SHKGVQCFGZCCFQ-UHFFFAOYSA-N -2 3 395.289 3.068 20 0 GGADHL CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)C1 ZINC000545557908 567063758 /nfs/dbraw/zinc/06/37/58/567063758.db2.gz MKTRPWNZXMRIAS-VXGBXAGGSA-N -2 3 375.487 3.175 20 0 GGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1C(F)(F)F ZINC000565419570 567064952 /nfs/dbraw/zinc/06/49/52/567064952.db2.gz UMZPPFMRWIWONB-QMMMGPOBSA-N -2 3 377.340 3.345 20 0 GGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ccccc1C(F)(F)F ZINC000565419569 567065449 /nfs/dbraw/zinc/06/54/49/567065449.db2.gz UMZPPFMRWIWONB-MRVPVSSYSA-N -2 3 377.340 3.345 20 0 GGADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC000521620519 567068525 /nfs/dbraw/zinc/06/85/25/567068525.db2.gz JCTREWZJNBMNHF-GFCCVEGCSA-N -2 3 383.388 3.039 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1c2ccccc2CC[C@@H]1C ZINC000584778307 567070953 /nfs/dbraw/zinc/07/09/53/567070953.db2.gz VCPKKCLZUKMYHG-BONVTDFDSA-N -2 3 381.475 3.057 20 0 GGADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c[n-]1 ZINC000585731002 567084232 /nfs/dbraw/zinc/08/42/32/567084232.db2.gz WXIPVLPYABYMAI-UHFFFAOYSA-N -2 3 385.854 3.255 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc(C(F)(F)F)c1 ZINC000683071828 567094400 /nfs/dbraw/zinc/09/44/00/567094400.db2.gz JSMAIYIIDSVIMS-UHFFFAOYSA-N -3 3 375.324 3.218 20 0 GGADHL CN(C)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)c1 ZINC000522056520 567096954 /nfs/dbraw/zinc/09/69/54/567096954.db2.gz QHDMGKSPZCKSMI-UHFFFAOYSA-N -2 3 399.266 3.014 20 0 GGADHL COc1ccc(CN=c2[n-]nc(-c3cccs3)o2)c(Br)c1[O-] ZINC000546208880 567115595 /nfs/dbraw/zinc/11/55/95/567115595.db2.gz FXGGZVWXGWYTES-UHFFFAOYSA-N -2 3 382.239 3.309 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCSCC1 ZINC000566007617 567117880 /nfs/dbraw/zinc/11/78/80/567117880.db2.gz JONUCTXDRKQSFE-UHFFFAOYSA-N -2 3 391.923 3.183 20 0 GGADHL CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000546265526 567119371 /nfs/dbraw/zinc/11/93/71/567119371.db2.gz GYFHDRONHNCPHD-CHWSQXEVSA-N -2 3 375.487 3.175 20 0 GGADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000566077136 567123925 /nfs/dbraw/zinc/12/39/25/567123925.db2.gz NNGDYGQTMRJLEL-ONGXEEELSA-N -2 3 397.827 3.253 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c(F)c1 ZINC000432077625 567130490 /nfs/dbraw/zinc/13/04/90/567130490.db2.gz OQTIMAFQKNSUPH-UHFFFAOYSA-N -2 3 383.784 3.107 20 0 GGADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000498009134 567142197 /nfs/dbraw/zinc/14/21/97/567142197.db2.gz NNDGMYPJJZJGKH-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000498015656 567143973 /nfs/dbraw/zinc/14/39/73/567143973.db2.gz MNIKUXPAJCRBJI-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CCc1cc(=O)[n-]c(CN(CCc2ccc(Cl)cc2Cl)CC(=O)[O-])n1 ZINC000566363560 567152494 /nfs/dbraw/zinc/15/24/94/567152494.db2.gz OLKRPVHSGVPBIJ-UHFFFAOYSA-N -2 3 384.263 3.181 20 0 GGADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000566714551 567183087 /nfs/dbraw/zinc/18/30/87/567183087.db2.gz HNQJPNAENVXYJT-MRVPVSSYSA-N -2 3 398.706 3.270 20 0 GGADHL CN(C)c1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)cc1 ZINC000432768421 567187303 /nfs/dbraw/zinc/18/73/03/567187303.db2.gz LCMGDZJNDKJBTC-UHFFFAOYSA-N -2 3 399.266 3.014 20 0 GGADHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2Cl)C(=O)[O-])c1 ZINC000547557127 567220531 /nfs/dbraw/zinc/22/05/31/567220531.db2.gz HLVNBKPGUOEPRQ-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000547572182 567223017 /nfs/dbraw/zinc/22/30/17/567223017.db2.gz IGCXNPPSYFRCQJ-SECBINFHSA-N -2 3 398.706 3.414 20 0 GGADHL Cc1cccc(C[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)C(=O)[O-])c1 ZINC000547569310 567223202 /nfs/dbraw/zinc/22/32/02/567223202.db2.gz KCPIJRZZVTYASE-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL O=C([O-])[C@@H](CCCc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000547572930 567223576 /nfs/dbraw/zinc/22/35/76/567223576.db2.gz QDQHMGLVGMTULL-OAHLLOKOSA-N -2 3 385.844 3.234 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(F)cc1 ZINC000547574022 567224817 /nfs/dbraw/zinc/22/48/17/567224817.db2.gz FMBDRDWXSFHACW-JTQLQIEISA-N -2 3 384.237 3.298 20 0 GGADHL Cc1cccc(C[C@H](C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)C(=O)[O-])c1 ZINC000547574705 567224884 /nfs/dbraw/zinc/22/48/84/567224884.db2.gz ILIBPHHUGBFEPN-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000547585793 567227607 /nfs/dbraw/zinc/22/76/07/567227607.db2.gz DDWIBMZHYWSDHI-CQSZACIVSA-N -2 3 389.807 3.421 20 0 GGADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)o1 ZINC000547614869 567231670 /nfs/dbraw/zinc/23/16/70/567231670.db2.gz PWKHZAVVFCPSGW-UHFFFAOYSA-N -2 3 398.849 3.233 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])s1 ZINC000547618108 567233406 /nfs/dbraw/zinc/23/34/06/567233406.db2.gz VGCWDYVLABGICP-IUCAKERBSA-N -2 3 398.344 3.377 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cc2[nH]ncc21 ZINC000499299429 567236602 /nfs/dbraw/zinc/23/66/02/567236602.db2.gz IMJWNBVABPMRPY-UHFFFAOYSA-N -2 3 379.825 3.332 20 0 GGADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000567345321 567238792 /nfs/dbraw/zinc/23/87/92/567238792.db2.gz CMIWRRGCIGDWIL-PRHODGIISA-N -2 3 398.706 3.126 20 0 GGADHL CSCC[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000547876847 567253176 /nfs/dbraw/zinc/25/31/76/567253176.db2.gz GPKNCVTZNLHWGU-SNVBAGLBSA-N -2 3 379.912 3.039 20 0 GGADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000547884652 567254887 /nfs/dbraw/zinc/25/48/87/567254887.db2.gz KKSFKUDLWXYCOZ-QMMMGPOBSA-N -2 3 384.679 3.024 20 0 GGADHL COc1cccc([C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C(=O)[O-])c1 ZINC000547881919 567255157 /nfs/dbraw/zinc/25/51/57/567255157.db2.gz KZRVPWROSJEGAO-LLVKDONJSA-N -2 3 396.273 3.168 20 0 GGADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)CC(=O)[O-] ZINC000547880258 567255213 /nfs/dbraw/zinc/25/52/13/567255213.db2.gz DNCARQJHRKJHTB-VIFPVBQESA-N -2 3 396.278 3.004 20 0 GGADHL CCc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)s1 ZINC000547884292 567255323 /nfs/dbraw/zinc/25/53/23/567255323.db2.gz FCSWETTXPASQBB-CQSZACIVSA-N -2 3 382.507 3.323 20 0 GGADHL COc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1Cl ZINC000433505313 567255905 /nfs/dbraw/zinc/25/59/05/567255905.db2.gz GOVSPDVCCVUWDY-UHFFFAOYSA-N -3 3 392.216 3.207 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)c(Cl)c1Cl ZINC000547895705 567258238 /nfs/dbraw/zinc/25/82/38/567258238.db2.gz XRTPCDUQJNOHGZ-JTQLQIEISA-N -2 3 398.308 3.417 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(Cl)c(F)c1 ZINC000547937014 567266529 /nfs/dbraw/zinc/26/65/29/567266529.db2.gz XSJSFKQGRZZNDG-CYBMUJFWSA-N -2 3 397.733 3.001 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]CC3(CC(=O)[O-])CCC3)s2)cs1 ZINC000547936068 567266553 /nfs/dbraw/zinc/26/65/53/567266553.db2.gz HHHKNGBTKBLFST-UHFFFAOYSA-N -2 3 386.520 3.103 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccsc2)c1Cl ZINC000547934100 567267302 /nfs/dbraw/zinc/26/73/02/567267302.db2.gz CYEJFJLFQGILGZ-NSHDSACASA-N -2 3 380.274 3.468 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccsc2)c1Cl ZINC000547934099 567267447 /nfs/dbraw/zinc/26/74/47/567267447.db2.gz CYEJFJLFQGILGZ-LLVKDONJSA-N -2 3 380.274 3.468 20 0 GGADHL COc1cc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)ccc1C(=O)[O-] ZINC000567793702 567278478 /nfs/dbraw/zinc/27/84/78/567278478.db2.gz BRKQCDQAKZJPIR-LBPRGKRZSA-N -2 3 383.388 3.039 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)c1cc(C)sc1C ZINC000567802931 567279259 /nfs/dbraw/zinc/27/92/59/567279259.db2.gz CZLVBOSDISHFRG-QMMMGPOBSA-N -2 3 375.493 3.173 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)c(Cl)c1Cl ZINC000548199323 567288838 /nfs/dbraw/zinc/28/88/38/567288838.db2.gz QZGZLBUNYNFVKC-LBPRGKRZSA-N -2 3 396.273 3.168 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2F)c(Cl)cc1F ZINC000548197413 567288967 /nfs/dbraw/zinc/28/89/67/567288967.db2.gz WJMQYLRECPPJMZ-CQSZACIVSA-N -2 3 375.780 3.031 20 0 GGADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000548214875 567291715 /nfs/dbraw/zinc/29/17/15/567291715.db2.gz YJEVHSIXHYPEHY-CYBMUJFWSA-N -2 3 392.235 3.107 20 0 GGADHL Cc1cccc(C[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2Cl)C(=O)[O-])c1 ZINC000548226001 567292531 /nfs/dbraw/zinc/29/25/31/567292531.db2.gz USVHVHJILZAJOD-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1ccccc1C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000548223965 567292607 /nfs/dbraw/zinc/29/26/07/567292607.db2.gz NKVKVBZZYSSWOS-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1cc([C@H]([N-]S(=O)(=O)c2cc(F)ccc2F)C(=O)[O-])ccc1Cl ZINC000548228120 567294177 /nfs/dbraw/zinc/29/41/77/567294177.db2.gz BWVDBMPHCLJCEN-AWEZNQCLSA-N -2 3 375.780 3.031 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(Cl)c(F)c1 ZINC000548236903 567295472 /nfs/dbraw/zinc/29/54/72/567295472.db2.gz DCUDLWLFXXJJOS-ZDUSSCGKSA-N -2 3 396.198 3.376 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)c1ccccc1F ZINC000548239588 567295776 /nfs/dbraw/zinc/29/57/76/567295776.db2.gz OXFKWCLLFOYNGS-AWEZNQCLSA-N -2 3 375.780 3.113 20 0 GGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)C2CC2)n1 ZINC000568007459 567296659 /nfs/dbraw/zinc/29/66/59/567296659.db2.gz MUQHFXOGVADOSA-AWEZNQCLSA-N -2 3 384.454 3.027 20 0 GGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCC1 ZINC000548261631 567301426 /nfs/dbraw/zinc/30/14/26/567301426.db2.gz HEYQZPPUDQZNNV-UHFFFAOYSA-N -2 3 396.690 3.026 20 0 GGADHL O=C([O-])[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000548269248 567302582 /nfs/dbraw/zinc/30/25/82/567302582.db2.gz SBSRMUJBVLYLPI-ZDUSSCGKSA-N -2 3 392.235 3.107 20 0 GGADHL O=C([O-])[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000548269247 567303048 /nfs/dbraw/zinc/30/30/48/567303048.db2.gz SBSRMUJBVLYLPI-CYBMUJFWSA-N -2 3 392.235 3.107 20 0 GGADHL CCCN(CCC)S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000548283106 567303941 /nfs/dbraw/zinc/30/39/41/567303941.db2.gz NBKFXSRNXLRHDB-UHFFFAOYSA-N -2 3 384.376 3.062 20 0 GGADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000527052210 567308933 /nfs/dbraw/zinc/30/89/33/567308933.db2.gz POELNDNOGZFGRD-CQSZACIVSA-N -2 3 389.901 3.154 20 0 GGADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000527051077 567309012 /nfs/dbraw/zinc/30/90/12/567309012.db2.gz XCZUHJVISVZFSY-ZDUSSCGKSA-N -2 3 396.877 3.362 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)c(F)c1 ZINC000476277303 567310396 /nfs/dbraw/zinc/31/03/96/567310396.db2.gz AJYGUWRIJVFMAA-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1Cl ZINC000500307952 567312132 /nfs/dbraw/zinc/31/21/32/567312132.db2.gz VKTPRKPIVMOSJZ-UHFFFAOYSA-N -2 3 381.837 3.093 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1Cl ZINC000500346499 567314932 /nfs/dbraw/zinc/31/49/32/567314932.db2.gz JZFAHGDBEYSFCW-UHFFFAOYSA-N -2 3 394.207 3.397 20 0 GGADHL Cc1cc(C)cc(C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C(=O)[O-])c1 ZINC000548527966 567322516 /nfs/dbraw/zinc/32/25/16/567322516.db2.gz QGLVZIIBXHAHJY-HNNXBMFYSA-N -2 3 385.844 3.070 20 0 GGADHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])c1 ZINC000548531802 567323248 /nfs/dbraw/zinc/32/32/48/567323248.db2.gz WRDZVGIYBLXKEP-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)sc1Br ZINC000548529558 567323406 /nfs/dbraw/zinc/32/34/06/567323406.db2.gz JWWCKBSEOPMZGI-VIFPVBQESA-N -2 3 398.344 3.234 20 0 GGADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCCC1 ZINC000548542788 567326167 /nfs/dbraw/zinc/32/61/67/567326167.db2.gz MFWLBPFSKLCSLM-UHFFFAOYSA-N -2 3 396.690 3.026 20 0 GGADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000476481011 567326909 /nfs/dbraw/zinc/32/69/09/567326909.db2.gz JPIQPPXXJTWIBT-UHFFFAOYSA-N -2 3 381.837 3.361 20 0 GGADHL Cc1ccccc1C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000548550497 567326914 /nfs/dbraw/zinc/32/69/14/567326914.db2.gz WBQPFJOLMIBAEP-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000548550501 567327075 /nfs/dbraw/zinc/32/70/75/567327075.db2.gz WBQPFJOLMIBAEP-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1ccccc1C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000548553870 567328803 /nfs/dbraw/zinc/32/88/03/567328803.db2.gz JAXQSTDLBZIHPO-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)o1 ZINC000548590595 567334637 /nfs/dbraw/zinc/33/46/37/567334637.db2.gz PUHDYTOZGLPBBX-UHFFFAOYSA-N -2 3 383.731 3.129 20 0 GGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000548593877 567335092 /nfs/dbraw/zinc/33/50/92/567335092.db2.gz VFBPPPPAJAXWJZ-ZJUUUORDSA-N -2 3 385.379 3.402 20 0 GGADHL Cc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)s1 ZINC000548589395 567335270 /nfs/dbraw/zinc/33/52/70/567335270.db2.gz PCHPFDQOBDLEBH-LLVKDONJSA-N -2 3 395.289 3.253 20 0 GGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000548596651 567336219 /nfs/dbraw/zinc/33/62/19/567336219.db2.gz RIUCVQHAZDAZSJ-OLZOCXBDSA-N -2 3 382.507 3.368 20 0 GGADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1F ZINC000548596314 567336373 /nfs/dbraw/zinc/33/63/73/567336373.db2.gz KFKSEGQBJGWKGT-AWEZNQCLSA-N -2 3 393.770 3.170 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-])c1Cl ZINC000592447939 567339640 /nfs/dbraw/zinc/33/96/40/567339640.db2.gz IUHZKZHEPYLHDM-SECBINFHSA-N -2 3 386.322 3.034 20 0 GGADHL O=C([O-])[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1F)Cc1ccccc1 ZINC000548684596 567341651 /nfs/dbraw/zinc/34/16/51/567341651.db2.gz FQQYHGLGNCVNFF-CYBMUJFWSA-N -2 3 385.844 3.091 20 0 GGADHL O=C([O-])[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1F)Cc1ccccc1 ZINC000548684597 567342165 /nfs/dbraw/zinc/34/21/65/567342165.db2.gz FQQYHGLGNCVNFF-ZDUSSCGKSA-N -2 3 385.844 3.091 20 0 GGADHL CC1CCC([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)(C(=O)[O-])CC1 ZINC000548771288 567349137 /nfs/dbraw/zinc/34/91/37/567349137.db2.gz QTIPMSQQOVMKAF-UHFFFAOYSA-N -2 3 383.363 3.156 20 0 GGADHL C[C@H]1CCC[C@@]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)(C(=O)[O-])C1 ZINC000548771031 567349990 /nfs/dbraw/zinc/34/99/90/567349990.db2.gz RFOYZKUMXTXOHQ-XPTSAGLGSA-N -2 3 383.363 3.156 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CCCC1 ZINC000548830871 567353956 /nfs/dbraw/zinc/35/39/56/567353956.db2.gz DOMMQFBZBNMUQC-UHFFFAOYSA-N -2 3 386.882 3.139 20 0 GGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Br ZINC000435721119 567385690 /nfs/dbraw/zinc/38/56/90/567385690.db2.gz HBRIZPVZTJOFSD-UHFFFAOYSA-N -2 3 396.165 3.128 20 0 GGADHL CSc1ccc(CC[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cc1 ZINC000435877403 567393956 /nfs/dbraw/zinc/39/39/56/567393956.db2.gz QKSZQUMUSOHWIU-UHFFFAOYSA-N -2 3 383.466 3.075 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2Cl)c(F)c1 ZINC000435884097 567394200 /nfs/dbraw/zinc/39/42/00/567394200.db2.gz NWGWJZKMAOOELW-NOZJJQNGSA-N -2 3 387.791 3.151 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(Cl)c3)C2)c(F)c1 ZINC000435879263 567394473 /nfs/dbraw/zinc/39/44/73/567394473.db2.gz JAXJVFZIPKWIPO-MQMHXKEQSA-N -2 3 383.828 3.402 20 0 GGADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000569329506 567396980 /nfs/dbraw/zinc/39/69/80/567396980.db2.gz LFSYPMBCCVBBTO-NSHDSACASA-N -2 3 385.816 3.109 20 0 GGADHL COC(=O)[C@H](CS(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-])c1ccccc1 ZINC000477500872 567399403 /nfs/dbraw/zinc/39/94/03/567399403.db2.gz ROUBWFFFSHRUNN-CQSZACIVSA-N -2 3 383.853 3.053 20 0 GGADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c[n-]1 ZINC000618906593 567423355 /nfs/dbraw/zinc/42/33/55/567423355.db2.gz NYISKZAWBZGHTB-UHFFFAOYSA-N -2 3 397.762 3.059 20 0 GGADHL COc1c(F)cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1F ZINC000436476143 567426403 /nfs/dbraw/zinc/42/64/03/567426403.db2.gz IPAVQVFVZKMHFI-UHFFFAOYSA-N -2 3 383.294 3.499 20 0 GGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436477249 567427015 /nfs/dbraw/zinc/42/70/15/567427015.db2.gz IENBGVJHMHCHAN-UHFFFAOYSA-N -3 3 379.287 3.049 20 0 GGADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])ccc1F ZINC000436477658 567427136 /nfs/dbraw/zinc/42/71/36/567427136.db2.gz JRNACZXWRPDGPM-UHFFFAOYSA-N -3 3 379.287 3.049 20 0 GGADHL O=c1[n-]c(-c2ccc(I)c([O-])c2)nc2ccc([O-])cc12 ZINC000436753077 567448987 /nfs/dbraw/zinc/44/89/87/567448987.db2.gz ZVZONKWVLCRGGD-UHFFFAOYSA-N -3 3 380.141 3.018 20 0 GGADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nc(CC(C)(C)C)cs2)ccc1[O-] ZINC000436748357 567449158 /nfs/dbraw/zinc/44/91/58/567449158.db2.gz FUKRPKNISMTSGT-UHFFFAOYSA-N -2 3 384.479 3.025 20 0 GGADHL O=C([N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1occc1Br ZINC000436919155 567465823 /nfs/dbraw/zinc/46/58/23/567465823.db2.gz MEKWWZGUQXVHQU-UHFFFAOYSA-N -2 3 383.589 3.439 20 0 GGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c1 ZINC000436998311 567473481 /nfs/dbraw/zinc/47/34/81/567473481.db2.gz YNRVHLNCZILXPF-UHFFFAOYSA-N -3 3 376.415 3.015 20 0 GGADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1cc(Cl)ccc1F ZINC000551208347 567488546 /nfs/dbraw/zinc/48/85/46/567488546.db2.gz XFMKTCIDXVCGPV-UHFFFAOYSA-N -2 3 394.649 3.426 20 0 GGADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000643297675 567505385 /nfs/dbraw/zinc/50/53/85/567505385.db2.gz VHPRTFVWDBAWRT-WFASDCNBSA-N -2 3 397.827 3.253 20 0 GGADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000643297674 567505646 /nfs/dbraw/zinc/50/56/46/567505646.db2.gz VHPRTFVWDBAWRT-SWLSCSKDSA-N -2 3 397.827 3.253 20 0 GGADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)(CC(=O)[O-])C1 ZINC000570704406 567506946 /nfs/dbraw/zinc/50/69/46/567506946.db2.gz BNRGKSUUCWQXGE-TVQRCGJNSA-N -2 3 385.429 3.326 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2F)oc1C(=O)[O-] ZINC000663425582 567507143 /nfs/dbraw/zinc/50/71/43/567507143.db2.gz CHTLYQKMPKVFMQ-UHFFFAOYSA-N -2 3 375.805 3.292 20 0 GGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)c1nc(C(F)(F)F)cs1 ZINC000663426222 567507620 /nfs/dbraw/zinc/50/76/20/567507620.db2.gz XCCHJYLHTKWWMC-SSDOTTSWSA-N -2 3 398.384 3.191 20 0 GGADHL Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2s1 ZINC000479276734 567520629 /nfs/dbraw/zinc/52/06/29/567520629.db2.gz YHCHXVGUKVCRNF-UHFFFAOYSA-N -2 3 385.854 3.096 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1C(F)(F)F ZINC000504298441 567528451 /nfs/dbraw/zinc/52/84/51/567528451.db2.gz GVYWDGIEOUJSOX-UHFFFAOYSA-N -3 3 379.287 3.049 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1Cl ZINC000504508806 567536922 /nfs/dbraw/zinc/53/69/22/567536922.db2.gz YRBJAUMETIUTGD-UHFFFAOYSA-N -2 3 385.825 3.003 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc1C ZINC000504686423 567544165 /nfs/dbraw/zinc/54/41/65/567544165.db2.gz DXBMKHXHRJGBJN-GFCCVEGCSA-N -2 3 381.475 3.370 20 0 GGADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C(=O)[O-])c1 ZINC000438773461 567544980 /nfs/dbraw/zinc/54/49/80/567544980.db2.gz MSNZSEZRPUYYOK-UHFFFAOYSA-N -3 3 383.809 3.154 20 0 GGADHL COc1ccc(Br)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000504713559 567545609 /nfs/dbraw/zinc/54/56/09/567545609.db2.gz XHJZTYFMWSRGBL-UTCJRWHESA-N -2 3 379.210 3.059 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc(C(=O)[O-])c1 ZINC000552025096 567550888 /nfs/dbraw/zinc/55/08/88/567550888.db2.gz GRWRXMIHGSJXBS-UHFFFAOYSA-N -2 3 375.324 3.393 20 0 GGADHL COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000552030404 567551450 /nfs/dbraw/zinc/55/14/50/567551450.db2.gz LIQZFBIBPUEUKI-UHFFFAOYSA-N -2 3 394.207 3.426 20 0 GGADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000644571811 567561303 /nfs/dbraw/zinc/56/13/03/567561303.db2.gz GIUIVGPDYUFDHG-UFBFGSQYSA-N -2 3 398.706 3.126 20 0 GGADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000530340078 567593433 /nfs/dbraw/zinc/59/34/33/567593433.db2.gz HSEWMYMTWQEDRK-LBPRGKRZSA-N -2 3 389.901 3.298 20 0 GGADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000530339577 567593877 /nfs/dbraw/zinc/59/38/77/567593877.db2.gz MBBYMFJSYAVZTP-LBPRGKRZSA-N -2 3 389.901 3.441 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccc(Cl)cc2)cc1F ZINC000505830735 567598430 /nfs/dbraw/zinc/59/84/30/567598430.db2.gz DRLIASVDDPSOMP-UHFFFAOYSA-N -2 3 393.770 3.248 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCn2ccc3cc(Cl)ccc32)c1 ZINC000505809924 567598730 /nfs/dbraw/zinc/59/87/30/567598730.db2.gz UGJNUHYPACVVLB-UHFFFAOYSA-N -2 3 384.866 3.033 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2F)sc1Cl ZINC000530435216 567601701 /nfs/dbraw/zinc/60/17/01/567601701.db2.gz FMDSNNIQRSYOFN-NSHDSACASA-N -2 3 377.846 3.343 20 0 GGADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)cc1F ZINC000530473102 567603665 /nfs/dbraw/zinc/60/36/65/567603665.db2.gz ILYRNNKNCHFFAQ-CQSZACIVSA-N -2 3 375.780 3.031 20 0 GGADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000530473413 567604024 /nfs/dbraw/zinc/60/40/24/567604024.db2.gz TTXSGYHVIYEZPW-LBPRGKRZSA-N -2 3 396.690 3.024 20 0 GGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000645075982 567604444 /nfs/dbraw/zinc/60/44/44/567604444.db2.gz XNFMBQVMWZPPMH-KOLCDFICSA-N -2 3 385.791 3.438 20 0 GGADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000530526677 567607989 /nfs/dbraw/zinc/60/79/89/567607989.db2.gz PIQFTQXVXHBJKW-LBPRGKRZSA-N -2 3 396.690 3.024 20 0 GGADHL CSc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c1C ZINC000553160853 567632100 /nfs/dbraw/zinc/63/21/00/567632100.db2.gz IZTRDSJSHYLKGT-UHFFFAOYSA-N -2 3 381.475 3.290 20 0 GGADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000572435777 567639227 /nfs/dbraw/zinc/63/92/27/567639227.db2.gz MPHGJXZKFBYCCI-NSHDSACASA-N -2 3 396.690 3.024 20 0 GGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000572770618 567664503 /nfs/dbraw/zinc/66/45/03/567664503.db2.gz ZYTVIOAFNNWDHW-QMMMGPOBSA-N -2 3 398.706 3.270 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)ccc1OCC(=O)[O-] ZINC000442221820 567686874 /nfs/dbraw/zinc/68/68/74/567686874.db2.gz ILCGRJWFSUWIKG-UHFFFAOYSA-N -2 3 391.779 3.191 20 0 GGADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC000645995743 567688623 /nfs/dbraw/zinc/68/86/23/567688623.db2.gz PQYMZTRJCPUTBS-GFCCVEGCSA-N -2 3 383.388 3.039 20 0 GGADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000507599794 567688802 /nfs/dbraw/zinc/68/88/02/567688802.db2.gz XPZRVOMTPGMKIU-UHFFFAOYSA-N -2 3 387.816 3.224 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)c(Cl)cc1F ZINC000507595149 567688817 /nfs/dbraw/zinc/68/88/17/567688817.db2.gz GWGFKFWNGWNDIW-UHFFFAOYSA-N -2 3 391.779 3.191 20 0 GGADHL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000481587038 567690622 /nfs/dbraw/zinc/69/06/22/567690622.db2.gz MRUJBMLPBGEHEH-UHFFFAOYSA-N -2 3 384.841 3.204 20 0 GGADHL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1)C(=O)[O-] ZINC000507622462 567690964 /nfs/dbraw/zinc/69/09/64/567690964.db2.gz TUYXHMAXOLVJMK-LBPRGKRZSA-N -2 3 380.491 3.119 20 0 GGADHL COc1ccsc1S(=O)(=O)[N-][C@H](CCC(=O)[O-])CC1CCCCC1 ZINC000573364517 567708340 /nfs/dbraw/zinc/70/83/40/567708340.db2.gz LZCUXWGWCKYNNS-CYBMUJFWSA-N -2 3 375.512 3.239 20 0 GGADHL COc1ccsc1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC000573364520 567708863 /nfs/dbraw/zinc/70/88/63/567708863.db2.gz LZCUXWGWCKYNNS-ZDUSSCGKSA-N -2 3 375.512 3.239 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)c1 ZINC000442835011 567711534 /nfs/dbraw/zinc/71/15/34/567711534.db2.gz CIMYQNZHKOBXML-UHFFFAOYSA-N -2 3 394.193 3.242 20 0 GGADHL COCc1cc(Cl)cc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000574733290 567794420 /nfs/dbraw/zinc/79/44/20/567794420.db2.gz YIUMMUSSBMTPDO-UHFFFAOYSA-N -2 3 391.779 3.264 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1C(=O)[O-] ZINC000048382879 570249997 /nfs/dbraw/zinc/24/99/97/570249997.db2.gz LMZZMLOKHIPZFJ-UHFFFAOYSA-N -2 3 378.425 3.233 20 0 GGADHL O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738345980 598842468 /nfs/dbraw/zinc/84/24/68/598842468.db2.gz UOYBHHROVTUQKL-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738345980 598842469 /nfs/dbraw/zinc/84/24/69/598842469.db2.gz UOYBHHROVTUQKL-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1SC(F)F ZINC000737225800 598947661 /nfs/dbraw/zinc/94/76/61/598947661.db2.gz RWJPOBVECXTMJP-UHFFFAOYSA-N -2 3 397.432 3.291 20 0 GGADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccccc1OCC(C)C ZINC000737223687 598948667 /nfs/dbraw/zinc/94/86/67/598948667.db2.gz BMMRLJXXYSFVIK-UHFFFAOYSA-N -2 3 387.465 3.011 20 0 GGADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1OCC(C)C ZINC000737223687 598948668 /nfs/dbraw/zinc/94/86/68/598948668.db2.gz BMMRLJXXYSFVIK-UHFFFAOYSA-N -2 3 387.465 3.011 20 0 GGADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000737301917 598968891 /nfs/dbraw/zinc/96/88/91/598968891.db2.gz WQJNKLCXMWDZTD-UHFFFAOYSA-N -2 3 398.473 3.099 20 0 GGADHL Cc1c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cccc1-c1nn[n-]n1 ZINC000822122792 607255930 /nfs/dbraw/zinc/25/59/30/607255930.db2.gz QRSVSLQTRCAJTE-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL O=S(=O)([N-]c1ccc(OC2CCCCC2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000738343440 599167996 /nfs/dbraw/zinc/16/79/96/599167996.db2.gz ZEYGIROSFGEEPO-UHFFFAOYSA-N -2 3 399.476 3.379 20 0 GGADHL CCOC(=O)c1sc([N-]C(=O)c2c(C)noc2C(F)F)c(C(=O)[O-])c1C ZINC000818229222 597363256 /nfs/dbraw/zinc/36/32/56/597363256.db2.gz FBBAUIGYVOBBBG-UHFFFAOYSA-N -2 3 388.348 3.418 20 0 GGADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000737295920 598425124 /nfs/dbraw/zinc/42/51/24/598425124.db2.gz BENLQMUSMDLVNJ-UHFFFAOYSA-N -2 3 398.473 3.099 20 0 GGADHL O=C([N-]c1nc(Sc2ccccc2)ns1)c1sccc1-c1nn[n-]n1 ZINC000738208715 598690619 /nfs/dbraw/zinc/69/06/19/598690619.db2.gz GSXKVSKQQJBQRV-UHFFFAOYSA-N -2 3 387.475 3.183 20 0 GGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000820178577 607374993 /nfs/dbraw/zinc/37/49/93/607374993.db2.gz ULZRBATUVUDKQV-UHFFFAOYSA-N -2 3 399.432 3.201 20 0 GGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000820178577 607374995 /nfs/dbraw/zinc/37/49/95/607374995.db2.gz ULZRBATUVUDKQV-UHFFFAOYSA-N -2 3 399.432 3.201 20 0 GGADHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000737250448 599560111 /nfs/dbraw/zinc/56/01/11/599560111.db2.gz MMOCWBFRPZFLTG-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000737250448 599560113 /nfs/dbraw/zinc/56/01/13/599560113.db2.gz MMOCWBFRPZFLTG-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1C ZINC000737362106 599561019 /nfs/dbraw/zinc/56/10/19/599561019.db2.gz NJTSZTBFIUJSBS-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL O=C([O-])c1cccc(Cc2cnc(NC(=O)c3cc4c(cc3[O-])OCO4)s2)c1 ZINC000740229168 599741625 /nfs/dbraw/zinc/74/16/25/599741625.db2.gz ZNDZQZPQIFILBW-UHFFFAOYSA-N -2 3 398.396 3.119 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCC(c2ccccc2)c2ccccc2)o1 ZINC000568717659 599765290 /nfs/dbraw/zinc/76/52/90/599765290.db2.gz YUVFVQBSAICKPP-UHFFFAOYSA-N -2 3 385.441 3.478 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(F)cc2)o1 ZINC000740174238 599771611 /nfs/dbraw/zinc/77/16/11/599771611.db2.gz WKNCGBRAZPYHDH-KRWDZBQOSA-N -2 3 375.377 3.185 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C(Cc2ccccc2)Cc2ccccc2)o1 ZINC000740174204 599776245 /nfs/dbraw/zinc/77/62/45/599776245.db2.gz VTBSYDAMCKYMFX-UHFFFAOYSA-N -2 3 385.441 3.110 20 0 GGADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1c(Cl)cccc1Cl ZINC000736606885 599777858 /nfs/dbraw/zinc/77/78/58/599777858.db2.gz MMSHBQPLOGQHIV-MRVPVSSYSA-N -2 3 378.233 3.367 20 0 GGADHL COc1ccc([C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C(=O)[O-])cc1 ZINC000737973308 599800414 /nfs/dbraw/zinc/80/04/14/599800414.db2.gz ZRJOFRRKOMWITF-LLVKDONJSA-N -2 3 396.273 3.168 20 0 GGADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000740145316 599802367 /nfs/dbraw/zinc/80/23/67/599802367.db2.gz QFEXRDUFQJMPOB-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000739765285 599853796 /nfs/dbraw/zinc/85/37/96/599853796.db2.gz BGATWDCXZBPULE-UHFFFAOYSA-N -2 3 389.351 3.403 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC[C@H]2CCCO2)cc1 ZINC000477425910 599906267 /nfs/dbraw/zinc/90/62/67/599906267.db2.gz FUTYGRQQEJPAJA-MRXNPFEDSA-N -2 3 391.445 3.052 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(Cl)c1 ZINC000477417087 599907294 /nfs/dbraw/zinc/90/72/94/599907294.db2.gz FXALOTNZHRJJPG-UHFFFAOYSA-N -2 3 391.836 3.333 20 0 GGADHL COCCCn1c(=O)[n-]nc1SCc1c2ccccc2sc1C(=O)[O-] ZINC000737761341 599908324 /nfs/dbraw/zinc/90/83/24/599908324.db2.gz GSMJENSUZHPFIW-UHFFFAOYSA-N -2 3 379.463 3.225 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCc2cccnc2)cc1 ZINC000738276879 599908343 /nfs/dbraw/zinc/90/83/43/599908343.db2.gz HDDANDTUYJOWRU-UHFFFAOYSA-N -2 3 398.440 3.468 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)cc1 ZINC000737209831 599927572 /nfs/dbraw/zinc/92/75/72/599927572.db2.gz AUYSZVKNXPXSNF-UHFFFAOYSA-N -2 3 381.475 3.204 20 0 GGADHL O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000739628386 600032315 /nfs/dbraw/zinc/03/23/15/600032315.db2.gz ZYANCCLLGCNPEF-HNNXBMFYSA-N -2 3 375.384 3.093 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CCCC2)o1 ZINC000740175245 600085218 /nfs/dbraw/zinc/08/52/18/600085218.db2.gz HMZCGCWULCUPKN-UHFFFAOYSA-N -2 3 381.475 3.361 20 0 GGADHL CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737178416 600099031 /nfs/dbraw/zinc/09/90/31/600099031.db2.gz VHGKBPZPYZFHLC-UHFFFAOYSA-N -2 3 398.412 3.132 20 0 GGADHL CSCc1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000738195478 600101041 /nfs/dbraw/zinc/10/10/41/600101041.db2.gz SOLYIHJUCLWPBL-UHFFFAOYSA-N -2 3 381.475 3.204 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)ccc1O ZINC000740090563 600102799 /nfs/dbraw/zinc/10/27/99/600102799.db2.gz XNATZAICGFCIFQ-UHFFFAOYSA-N -2 3 375.374 3.206 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)c1C(=O)[O-] ZINC000738745503 600105570 /nfs/dbraw/zinc/10/55/70/600105570.db2.gz QPUONFQFYALUDB-UHFFFAOYSA-N -2 3 380.441 3.478 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c(F)c1 ZINC000485252841 600169459 /nfs/dbraw/zinc/16/94/59/600169459.db2.gz LEVLLOXBRCHUKX-UHFFFAOYSA-N -2 3 386.360 3.044 20 0 GGADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C(=O)[O-])cc1 ZINC000738569909 600170443 /nfs/dbraw/zinc/17/04/43/600170443.db2.gz JNJKZPOSQVCQQD-CYBMUJFWSA-N -2 3 388.272 3.449 20 0 GGADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000738570365 600170848 /nfs/dbraw/zinc/17/08/48/600170848.db2.gz PHMZLMDWNPHIKL-GFCCVEGCSA-N -2 3 388.272 3.449 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1C(=O)[O-] ZINC000738746322 600236548 /nfs/dbraw/zinc/23/65/48/600236548.db2.gz WWGWMNVVEUKJJF-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)c2cccs2)o1 ZINC000740174058 600264589 /nfs/dbraw/zinc/26/45/89/600264589.db2.gz QTXHSNKWMGNNOK-CYBMUJFWSA-N -2 3 377.443 3.302 20 0 GGADHL O=C([O-])[C@H]1CC12CCN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)CC2 ZINC000739537016 600296418 /nfs/dbraw/zinc/29/64/18/600296418.db2.gz RRYAIUPCBBOYGA-GFCCVEGCSA-N -2 3 385.445 3.344 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)c1O ZINC000740226900 600392384 /nfs/dbraw/zinc/39/23/84/600392384.db2.gz FBCIMHBPTKQQEG-BQYQJAHWSA-N -2 3 398.234 3.266 20 0 GGADHL Cc1nc(C)c(CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000738847954 600392943 /nfs/dbraw/zinc/39/29/43/600392943.db2.gz REFTXKLJBGDEDK-SFHVURJKSA-N -2 3 399.491 3.361 20 0 GGADHL O=C([O-])c1ncn(Cc2nc(=O)c3c(-c4ccccc4Cl)csc3[n-]2)n1 ZINC000740281075 600474968 /nfs/dbraw/zinc/47/49/68/600474968.db2.gz ISPXUQRXULBBOZ-UHFFFAOYSA-N -2 3 387.808 3.055 20 0 GGADHL Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2)c1[O-] ZINC000738693629 600485327 /nfs/dbraw/zinc/48/53/27/600485327.db2.gz VKPZZVJPOOQZMO-QGZVFWFLSA-N -2 3 382.416 3.032 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1C ZINC000738063635 600488023 /nfs/dbraw/zinc/48/80/23/600488023.db2.gz CYMWMGRRTJHOKY-UHFFFAOYSA-N -2 3 379.434 3.048 20 0 GGADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000057123737 600543697 /nfs/dbraw/zinc/54/36/97/600543697.db2.gz XWDGDPGIXMSTJY-GFCCVEGCSA-N -2 3 379.434 3.372 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)cc1C(=O)[O-] ZINC000511279242 600543757 /nfs/dbraw/zinc/54/37/57/600543757.db2.gz HVTLFTNGJYUXCL-UHFFFAOYSA-N -3 3 393.417 3.016 20 0 GGADHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1 ZINC000739741484 600565697 /nfs/dbraw/zinc/56/56/97/600565697.db2.gz CXWRDFKXGWJLEX-UHFFFAOYSA-N -2 3 391.445 3.130 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ncc(-c2ccccc2)o1 ZINC000736671099 600588397 /nfs/dbraw/zinc/58/83/97/600588397.db2.gz SBXISCQHEFGNHJ-JTQLQIEISA-N -2 3 378.431 3.141 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ncc(-c2ccccc2)o1 ZINC000736671101 600588444 /nfs/dbraw/zinc/58/84/44/600588444.db2.gz SBXISCQHEFGNHJ-SNVBAGLBSA-N -2 3 378.431 3.141 20 0 GGADHL O=C([O-])CCc1nnc([N-]C(=O)c2cc3cc(Br)ccc3o2)s1 ZINC000739778918 600628758 /nfs/dbraw/zinc/62/87/58/600628758.db2.gz ZTHVWDGHIYMMHO-UHFFFAOYSA-N -2 3 396.222 3.316 20 0 GGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1 ZINC000481982158 600629108 /nfs/dbraw/zinc/62/91/08/600629108.db2.gz ORXWMAMPLGQIBY-UHFFFAOYSA-N -2 3 398.440 3.089 20 0 GGADHL O=C([O-])CCc1nnc([N-]C(=O)c2cc3c(s2)-c2ccccc2OC3)s1 ZINC000739776165 600630726 /nfs/dbraw/zinc/63/07/26/600630726.db2.gz DHSKCDVMFDZJCL-UHFFFAOYSA-N -2 3 387.442 3.429 20 0 GGADHL CC(C)(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736248203 600632139 /nfs/dbraw/zinc/63/21/39/600632139.db2.gz GBUJWEIZCFFWNG-UHFFFAOYSA-N -2 3 382.251 3.001 20 0 GGADHL C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736785775 600632807 /nfs/dbraw/zinc/63/28/07/600632807.db2.gz RIHKZLWRGCYBLX-PRHODGIISA-N -2 3 394.262 3.143 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2CCCC2)c(F)cc1Br ZINC000740087752 600633216 /nfs/dbraw/zinc/63/32/16/600633216.db2.gz MTXBPPNDCJKKBW-UHFFFAOYSA-N -2 3 394.262 3.145 20 0 GGADHL CCC[C@H](CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736970846 600633737 /nfs/dbraw/zinc/63/37/37/600633737.db2.gz QNNRHWBRLYMGFL-QMMMGPOBSA-N -2 3 382.251 3.143 20 0 GGADHL COc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)c(C(=O)[O-])c1 ZINC000738040586 600635523 /nfs/dbraw/zinc/63/55/23/600635523.db2.gz AWDLKCJCGIGARK-SECBINFHSA-N -2 3 397.836 3.171 20 0 GGADHL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000826669264 600673560 /nfs/dbraw/zinc/67/35/60/600673560.db2.gz FCWVDMQPJZRIJT-UHFFFAOYSA-N -2 3 383.372 3.303 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1c2nsnc2ccc1Cl ZINC000326464029 600686179 /nfs/dbraw/zinc/68/61/79/600686179.db2.gz YZRTYCNIVLRZDJ-UHFFFAOYSA-N -2 3 383.838 3.152 20 0 GGADHL C/C(=C\CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)[O-] ZINC000825792318 600727334 /nfs/dbraw/zinc/72/73/34/600727334.db2.gz CGOIYJBOKPWKDF-WEVVVXLNSA-N -2 3 376.825 3.298 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)cc1C(=O)[O-] ZINC000024427359 600808560 /nfs/dbraw/zinc/80/85/60/600808560.db2.gz KKSPIUHJNCFWQA-UHFFFAOYSA-N -2 3 391.449 3.024 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1C(=O)[O-] ZINC000066585720 600814205 /nfs/dbraw/zinc/81/42/05/600814205.db2.gz BVRJRBIKWRLCQK-UHFFFAOYSA-N -2 3 391.836 3.333 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1C(=O)[O-] ZINC000591682694 600814954 /nfs/dbraw/zinc/81/49/54/600814954.db2.gz BZQTUIADTKZDDA-UHFFFAOYSA-N -2 3 398.440 3.468 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)cc1C(=O)[O-] ZINC000832955856 600830028 /nfs/dbraw/zinc/83/00/28/600830028.db2.gz NBEDSAYMOAYBAS-UHFFFAOYSA-N -2 3 396.415 3.372 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1OCC ZINC000671657571 600886958 /nfs/dbraw/zinc/88/69/58/600886958.db2.gz HCOQRVKYMVAZTF-UHFFFAOYSA-N -2 3 379.434 3.291 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)ccc1C(=O)[O-] ZINC000506726940 600888294 /nfs/dbraw/zinc/88/82/94/600888294.db2.gz PXVWMTQUZPUGJD-UHFFFAOYSA-N -2 3 390.461 3.479 20 0 GGADHL CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737145300 600890526 /nfs/dbraw/zinc/89/05/26/600890526.db2.gz WMCRXVWBYJRBGJ-UHFFFAOYSA-N -2 3 392.433 3.087 20 0 GGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)c1 ZINC000740074845 600893867 /nfs/dbraw/zinc/89/38/67/600893867.db2.gz DQIAJTRGMPBTNG-UHFFFAOYSA-N -2 3 395.799 3.164 20 0 GGADHL Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)cc2F)c1 ZINC000506652531 600894297 /nfs/dbraw/zinc/89/42/97/600894297.db2.gz GLLJEMAMDMIPHA-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)ccc1OC(C)C ZINC000525533338 600897397 /nfs/dbraw/zinc/89/73/97/600897397.db2.gz ZRUANLZDQGTUHF-UHFFFAOYSA-N -2 3 379.434 3.046 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c(C)c1C ZINC000607030662 600900079 /nfs/dbraw/zinc/90/00/79/600900079.db2.gz PKZGNLCYZLVHNL-UHFFFAOYSA-N -2 3 377.462 3.475 20 0 GGADHL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000736418648 601046863 /nfs/dbraw/zinc/04/68/63/601046863.db2.gz HESWAKGAFUYKNH-UHFFFAOYSA-N -2 3 389.404 3.498 20 0 GGADHL O=C([O-])c1ccsc1N1CC[C@H](OC(=O)c2cc(Cl)c(Cl)[n-]2)C1=O ZINC000833351648 601096339 /nfs/dbraw/zinc/09/63/39/601096339.db2.gz OJVLPMUSSYYUEB-VIFPVBQESA-N -2 3 389.216 3.044 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000833027041 601214537 /nfs/dbraw/zinc/21/45/37/601214537.db2.gz AFFBPGCCRKXWDM-MRVPVSSYSA-N -2 3 388.239 3.088 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000833029022 601217267 /nfs/dbraw/zinc/21/72/67/601217267.db2.gz XGOKFBIGMKNBBS-GOSISDBHSA-N -2 3 389.404 3.493 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)ccc1F ZINC000738673651 601220597 /nfs/dbraw/zinc/22/05/97/601220597.db2.gz JBVOKJQIWOVYRB-ZDUSSCGKSA-N -2 3 377.315 3.106 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)ccc1F ZINC000738673632 601220646 /nfs/dbraw/zinc/22/06/46/601220646.db2.gz JBVOKJQIWOVYRB-CYBMUJFWSA-N -2 3 377.315 3.106 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2nc(-c3ccccc3)cs2)cc1C(=O)[O-] ZINC000833028921 601221143 /nfs/dbraw/zinc/22/11/43/601221143.db2.gz TZWCWAUMBXFCLE-SNVBAGLBSA-N -2 3 392.458 3.449 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)Cc2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000571320308 601221329 /nfs/dbraw/zinc/22/13/29/601221329.db2.gz FRNHJRDUBNXPCG-SECBINFHSA-N -2 3 391.367 3.215 20 0 GGADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000826687341 601230282 /nfs/dbraw/zinc/23/02/82/601230282.db2.gz GTVOGRLGZXYDAD-ZDUSSCGKSA-N -2 3 383.416 3.381 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cc3c(s2)CCCC3)c1F ZINC000833294839 601232005 /nfs/dbraw/zinc/23/20/05/601232005.db2.gz XOGTZQICZDDCGW-UHFFFAOYSA-N -2 3 387.429 3.082 20 0 GGADHL Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC000391310544 601234602 /nfs/dbraw/zinc/23/46/02/601234602.db2.gz ZZVITSRRVTVSCW-ZETCQYMHSA-N -2 3 395.289 3.496 20 0 GGADHL CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000829222556 601234895 /nfs/dbraw/zinc/23/48/95/601234895.db2.gz CYKFNYUOYLNHKV-ZDUSSCGKSA-N -2 3 383.416 3.353 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCC2)c1F ZINC000833294688 601235218 /nfs/dbraw/zinc/23/52/18/601235218.db2.gz FROKOOQHDBYYOE-QGZVFWFLSA-N -2 3 381.400 3.483 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1nc2ccccc2s1 ZINC000827760175 601235980 /nfs/dbraw/zinc/23/59/80/601235980.db2.gz FPPKMSQXHXPSFY-QMMMGPOBSA-N -2 3 398.412 3.312 20 0 GGADHL CC[C@](C)([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1nc(C)cs1 ZINC000828693406 601238114 /nfs/dbraw/zinc/23/81/14/601238114.db2.gz WGWZVYULWGKEHO-HNNXBMFYSA-N -2 3 390.433 3.032 20 0 GGADHL Cc1cc(C)cc(C[C@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000832877791 601239760 /nfs/dbraw/zinc/23/97/60/601239760.db2.gz YRABQPWNJBAJBZ-LBPRGKRZSA-N -2 3 383.416 3.189 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]CCCCCCC(=O)[O-])sc1Br ZINC000123553303 601255920 /nfs/dbraw/zinc/25/59/20/601255920.db2.gz PITIPNBNTMZREQ-UHFFFAOYSA-N -2 3 384.317 3.132 20 0 GGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)c1C ZINC000020628526 601318603 /nfs/dbraw/zinc/31/86/03/601318603.db2.gz FSFHJFBCCCNTRR-UHFFFAOYSA-N -2 3 390.461 3.397 20 0 GGADHL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1C ZINC000825878808 601326238 /nfs/dbraw/zinc/32/62/38/601326238.db2.gz CLLSEYZOPIHNIO-YRNVUSSQSA-N -2 3 388.445 3.160 20 0 GGADHL CCOC(=O)C(=Cc1ccc(C(=O)[O-])[nH]1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000829818123 601330822 /nfs/dbraw/zinc/33/08/22/601330822.db2.gz QMRVBIDBACAJJI-XFFZJAGNSA-N -2 3 387.417 3.144 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)ccc1F ZINC000738679451 601358335 /nfs/dbraw/zinc/35/83/35/601358335.db2.gz UZGNFTRGTDHXMG-UHFFFAOYSA-N -2 3 395.799 3.164 20 0 GGADHL CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000830245091 601365837 /nfs/dbraw/zinc/36/58/37/601365837.db2.gz PQUAISKTZUQDIX-UHFFFAOYSA-N -2 3 377.462 3.466 20 0 GGADHL COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(C(=O)[O-])[nH]3)nc(=O)c2c1C ZINC000831479561 601445173 /nfs/dbraw/zinc/44/51/73/601445173.db2.gz QLRIVBKODOGSGR-VMPITWQZSA-N -2 3 393.808 3.255 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1 ZINC000481973989 601475766 /nfs/dbraw/zinc/47/57/66/601475766.db2.gz RASUTADGVSXWPH-UHFFFAOYSA-N -2 3 395.408 3.021 20 0 GGADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000828671162 601480108 /nfs/dbraw/zinc/48/01/08/601480108.db2.gz AVHAAQCJLHLYME-GFCCVEGCSA-N -2 3 384.679 3.024 20 0 GGADHL Cc1cccc(-c2ccc(C[N-]S(=O)(=O)c3csnc3C(=O)[O-])cc2)c1 ZINC000832959670 601484219 /nfs/dbraw/zinc/48/42/19/601484219.db2.gz HOOBPACLXBQRIH-UHFFFAOYSA-N -2 3 388.470 3.295 20 0 GGADHL CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)ccc2[nH]1 ZINC000123255000 601485362 /nfs/dbraw/zinc/48/53/62/601485362.db2.gz MPMZWXLNARHEMG-UHFFFAOYSA-N -2 3 387.461 3.333 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)cc(F)c1F ZINC000184897755 601568473 /nfs/dbraw/zinc/56/84/73/601568473.db2.gz MBZOJQQVTGKBRL-JGVFFNPUSA-N -2 3 387.326 3.062 20 0 GGADHL CCCCC[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000236676543 601746556 /nfs/dbraw/zinc/74/65/56/601746556.db2.gz BEZDTWRTCFAOBR-ZDUSSCGKSA-N -2 3 395.253 3.054 20 0 GGADHL CCCCC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000236842421 601746624 /nfs/dbraw/zinc/74/66/24/601746624.db2.gz BEZDTWRTCFAOBR-CYBMUJFWSA-N -2 3 395.253 3.054 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)ccc1Cl ZINC000194202488 601827636 /nfs/dbraw/zinc/82/76/36/601827636.db2.gz BCOUKEJQTDYKFD-UHFFFAOYSA-N -2 3 395.799 3.164 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)ccc1Cl ZINC000730203677 601829639 /nfs/dbraw/zinc/82/96/39/601829639.db2.gz ABBQWBSKEHVXCA-UHFFFAOYSA-N -2 3 395.799 3.164 20 0 GGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c(F)c1 ZINC000827058531 601839348 /nfs/dbraw/zinc/83/93/48/601839348.db2.gz IURMWWMRGIJKJT-UHFFFAOYSA-N -2 3 388.804 3.160 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)ccc1Cl ZINC000326824702 601843669 /nfs/dbraw/zinc/84/36/69/601843669.db2.gz YPTRRINIYFTZQM-UHFFFAOYSA-N -2 3 380.853 3.439 20 0 GGADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000833294600 601855455 /nfs/dbraw/zinc/85/54/55/601855455.db2.gz MBEUBYTWZAUJKI-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1F ZINC000832887249 601882955 /nfs/dbraw/zinc/88/29/55/601882955.db2.gz KSHPGQTYHPRQMW-AWEZNQCLSA-N -2 3 375.780 3.031 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1Cl ZINC000825643948 607533963 /nfs/dbraw/zinc/53/39/63/607533963.db2.gz XTUDGSVPDJVOBD-UHFFFAOYSA-N -2 3 393.856 3.028 20 0 GGADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000776553664 601962986 /nfs/dbraw/zinc/96/29/86/601962986.db2.gz YXUBKNCGCDGHSE-UHFFFAOYSA-N -2 3 396.278 3.292 20 0 GGADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000403009465 601963527 /nfs/dbraw/zinc/96/35/27/601963527.db2.gz LKYIMMWPROIWRQ-UHFFFAOYSA-N -2 3 384.317 3.214 20 0 GGADHL O=C([O-])Nc1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc(C(F)(F)F)c1 ZINC000833283451 601986530 /nfs/dbraw/zinc/98/65/30/601986530.db2.gz JOAVVSSZLOHZHX-UHFFFAOYSA-N -2 3 392.297 3.228 20 0 GGADHL O=C([O-])Nc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc(C(F)(F)F)c1 ZINC000833284267 601996975 /nfs/dbraw/zinc/99/69/75/601996975.db2.gz SKLCHRIPNZHAFR-UHFFFAOYSA-N -2 3 381.270 3.426 20 0 GGADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc(C(F)(F)F)ccc2F)s1 ZINC000833231911 602151700 /nfs/dbraw/zinc/15/17/00/602151700.db2.gz FPHFXYHVORVCMV-UHFFFAOYSA-N -2 3 377.319 3.356 20 0 GGADHL C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000386103912 602156532 /nfs/dbraw/zinc/15/65/32/602156532.db2.gz ISMKHHCGUQGFFT-QMMMGPOBSA-N -2 3 382.276 3.233 20 0 GGADHL Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000832891310 602175967 /nfs/dbraw/zinc/17/59/67/602175967.db2.gz PZKFSBLIAANNRX-ZDUSSCGKSA-N -2 3 377.466 3.201 20 0 GGADHL CC(C)(C(=O)[O-])[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000826106306 602216151 /nfs/dbraw/zinc/21/61/51/602216151.db2.gz XRTPMCURFZMRSN-OAHLLOKOSA-N -2 3 387.379 3.234 20 0 GGADHL CC(C)(C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1 ZINC000826105614 602216836 /nfs/dbraw/zinc/21/68/36/602216836.db2.gz DRLSLIDAIYUJEG-HNNXBMFYSA-N -2 3 387.379 3.234 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC3(CCCC3)Oc3ccccc32)o1 ZINC000833324348 602222358 /nfs/dbraw/zinc/22/23/58/602222358.db2.gz FQLFTYQKSKFAIU-CYBMUJFWSA-N -2 3 377.418 3.093 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC(C)(C)Oc3cc(F)ccc32)cc1C(=O)[O-] ZINC000570839869 602225964 /nfs/dbraw/zinc/22/59/64/602225964.db2.gz RSLJQIOSBOROQC-CYBMUJFWSA-N -2 3 383.397 3.006 20 0 GGADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc2)n[nH]1 ZINC000468611134 602301195 /nfs/dbraw/zinc/30/11/95/602301195.db2.gz VFXBHOYOUCDLAI-UHFFFAOYSA-N -2 3 387.417 3.318 20 0 GGADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(OCCC(=O)[O-])cc3)ccc2O1 ZINC000828079085 602309294 /nfs/dbraw/zinc/30/92/94/602309294.db2.gz ZQRBAFGTZMZITE-UHFFFAOYSA-N -2 3 391.445 3.054 20 0 GGADHL COc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(SC)cc2)cc(OC)c1[O-] ZINC000833726725 604490129 /nfs/dbraw/zinc/49/01/29/604490129.db2.gz GWXYQAOEXOIDCG-CQSZACIVSA-N -2 3 391.445 3.077 20 0 GGADHL CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000833662028 604708364 /nfs/dbraw/zinc/70/83/64/604708364.db2.gz NTDUBRDKDRLFJI-UHFFFAOYSA-N -2 3 375.421 3.486 20 0 GGADHL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(CN3CCCC3)ccc2C)c1C(=O)[O-] ZINC000832932550 604772770 /nfs/dbraw/zinc/77/27/70/604772770.db2.gz ONVOGJZAJYXVLV-UHFFFAOYSA-N -2 3 392.477 3.300 20 0 GGADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)cc1C ZINC000831847764 604806393 /nfs/dbraw/zinc/80/63/93/604806393.db2.gz SRWDLWNJGNYADG-UHFFFAOYSA-N -2 3 399.852 3.230 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)cc1C ZINC000830094487 604806555 /nfs/dbraw/zinc/80/65/55/604806555.db2.gz HYTLGXZEOIOFJE-UHFFFAOYSA-N -2 3 399.852 3.311 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000830094588 604808390 /nfs/dbraw/zinc/80/83/90/604808390.db2.gz PIVALPZKVZDFTF-UHFFFAOYSA-N -2 3 385.825 3.003 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c(OC)c1C(=O)[O-] ZINC000833734494 604859316 /nfs/dbraw/zinc/85/93/16/604859316.db2.gz HTJXLYWWQGPTDW-UHFFFAOYSA-N -2 3 385.825 3.165 20 0 GGADHL O=C([O-])CCCc1csc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)n1 ZINC000833229663 604887898 /nfs/dbraw/zinc/88/78/98/604887898.db2.gz SGHMYVVFMFXCTH-UHFFFAOYSA-N -2 3 399.428 3.393 20 0 GGADHL Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(OCCC(=O)[O-])cc3)c[n-]c12 ZINC000832889038 604966107 /nfs/dbraw/zinc/96/61/07/604966107.db2.gz BSPWCFDRGOMUCX-UHFFFAOYSA-N -2 3 384.363 3.081 20 0 GGADHL CC(C)Cc1ccc([C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C2CC2)cc1 ZINC000833495343 605023862 /nfs/dbraw/zinc/02/38/62/605023862.db2.gz ZVNMWVTXUTUUIO-INIZCTEOSA-N -2 3 394.518 3.469 20 0 GGADHL CC1(c2ccccc2)CCC([N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000833572820 605049453 /nfs/dbraw/zinc/04/94/53/605049453.db2.gz DCPSQQLCUAXLSL-UHFFFAOYSA-N -2 3 380.491 3.020 20 0 GGADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000765649029 605118745 /nfs/dbraw/zinc/11/87/45/605118745.db2.gz VIUPUTAGFXUVFZ-UHFFFAOYSA-N -2 3 388.367 3.423 20 0 GGADHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC000833654672 605135057 /nfs/dbraw/zinc/13/50/57/605135057.db2.gz ZHEKBTRFIVVSSM-UHFFFAOYSA-N -2 3 388.489 3.450 20 0 GGADHL CN1CCCc2cc([N-]S(=O)(=O)c3cccc4c3ccnc4C(=O)[O-])ccc21 ZINC000833697118 605182523 /nfs/dbraw/zinc/18/25/23/605182523.db2.gz BBYKBLLTISKXRR-UHFFFAOYSA-N -2 3 397.456 3.116 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccc(F)cc1Cl ZINC000833459712 605203960 /nfs/dbraw/zinc/20/39/60/605203960.db2.gz KXVKNRDZZOCFNV-UHFFFAOYSA-N -2 3 375.805 3.026 20 0 GGADHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1 ZINC000833775042 605304184 /nfs/dbraw/zinc/30/41/84/605304184.db2.gz TUSYRBGWOPMQHN-UHFFFAOYSA-N -2 3 391.232 3.043 20 0 GGADHL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000542238033 605325703 /nfs/dbraw/zinc/32/57/03/605325703.db2.gz WJVSGZMCRVGAOG-UHFFFAOYSA-N -2 3 399.415 3.494 20 0 GGADHL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000833685304 605327576 /nfs/dbraw/zinc/32/75/76/605327576.db2.gz KJXCNYTYLPCLIP-UHFFFAOYSA-N -2 3 386.376 3.246 20 0 GGADHL O=C([O-])C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(C(F)(F)F)cc1 ZINC000833773365 605412705 /nfs/dbraw/zinc/41/27/05/605412705.db2.gz UZEGGZQUGBUMKB-GFCCVEGCSA-N -2 3 397.305 3.086 20 0 GGADHL CC(C)(CCC(=O)[O-])NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000833456967 605755376 /nfs/dbraw/zinc/75/53/76/605755376.db2.gz FMTLXBKSFPOYQP-GOSISDBHSA-N -2 3 398.459 3.013 20 0 GGADHL CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000821608474 606197066 /nfs/dbraw/zinc/19/70/66/606197066.db2.gz ISTPZLCYPCGLEJ-UHFFFAOYSA-N -2 3 378.219 3.151 20 0 GGADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000821417394 606590746 /nfs/dbraw/zinc/59/07/46/606590746.db2.gz MVXZBQNNQAYMSO-UHFFFAOYSA-N -2 3 395.444 3.219 20 0 GGADHL Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822184227 607026806 /nfs/dbraw/zinc/02/68/06/607026806.db2.gz PJKRORYZXQIDPT-UHFFFAOYSA-N -2 3 392.510 3.038 20 0 GGADHL CC(C)(CC(=O)[O-])CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000824152785 608287716 /nfs/dbraw/zinc/28/77/16/608287716.db2.gz MXRGVYDIXDPQLL-UHFFFAOYSA-N -2 3 393.447 3.041 20 0 GGADHL CC(C)(CC(=O)[O-])CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000824152785 608287718 /nfs/dbraw/zinc/28/77/18/608287718.db2.gz MXRGVYDIXDPQLL-UHFFFAOYSA-N -2 3 393.447 3.041 20 0 GGADHL O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000826428239 608817524 /nfs/dbraw/zinc/81/75/24/608817524.db2.gz UJEOSPVXEGHDGD-UHFFFAOYSA-N -2 3 390.230 3.298 20 0 GGADHL O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000826428239 608817528 /nfs/dbraw/zinc/81/75/28/608817528.db2.gz UJEOSPVXEGHDGD-UHFFFAOYSA-N -2 3 390.230 3.298 20 0 GGADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1Cl ZINC000826492536 609339060 /nfs/dbraw/zinc/33/90/60/609339060.db2.gz PNHBJMHPRHMUFP-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc2ccccc2o1 ZINC000826492318 609339114 /nfs/dbraw/zinc/33/91/14/609339114.db2.gz CYLSJDMNRQGUIS-UHFFFAOYSA-N -2 3 375.797 3.067 20 0 GGADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc2ccccc2o1 ZINC000826492318 609339116 /nfs/dbraw/zinc/33/91/16/609339116.db2.gz CYLSJDMNRQGUIS-UHFFFAOYSA-N -2 3 375.797 3.067 20 0 GGADHL CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825341563 609525927 /nfs/dbraw/zinc/52/59/27/609525927.db2.gz FHIAPLPUHBCRPH-UHFFFAOYSA-N -2 3 393.856 3.110 20 0 GGADHL CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825341563 609525929 /nfs/dbraw/zinc/52/59/29/609525929.db2.gz FHIAPLPUHBCRPH-UHFFFAOYSA-N -2 3 393.856 3.110 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](C(=O)[O-])c3ccccc3)c2)n1 ZINC000055149671 1406893949 /nfs/dbraw/zinc/89/39/49/1406893949.db2.gz JACBDFYJPBZRTP-GOSISDBHSA-N -2 3 391.427 3.196 20 0 GGADHL Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1Cl ZINC000013210702 1399075750 /nfs/dbraw/zinc/07/57/50/1399075750.db2.gz JYARIBYQYSVPDS-UHFFFAOYSA-N -2 3 389.260 3.394 20 0 GGADHL O=C([N-][N-]S(=O)(=O)c1cccc(Cl)c1F)C12CC3CC(CC(C3)C1)C2 ZINC000055561990 1407003474 /nfs/dbraw/zinc/00/34/74/1407003474.db2.gz YXMHCVLZZRWFQN-UHFFFAOYSA-N -2 3 386.876 3.005 20 0 GGADHL COCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c(C)c1 ZINC000055643405 1407038610 /nfs/dbraw/zinc/03/86/10/1407038610.db2.gz WKXXFEIFXWBGEO-UHFFFAOYSA-N -2 3 393.461 3.136 20 0 GGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c(C)c1 ZINC000055687708 1407057402 /nfs/dbraw/zinc/05/74/02/1407057402.db2.gz PIZIUGMRHPFMNB-UHFFFAOYSA-N -2 3 379.434 3.048 20 0 GGADHL O=C([N-][N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc2ccccc2n1 ZINC000028913628 1400210596 /nfs/dbraw/zinc/21/05/96/1400210596.db2.gz XWHXGVIBYDDMRS-UHFFFAOYSA-N -2 3 396.255 3.165 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)cc1C(=O)[O-] ZINC000042791588 1400416386 /nfs/dbraw/zinc/41/63/86/1400416386.db2.gz SIZJWKWKBZGGFP-UHFFFAOYSA-N -2 3 385.445 3.047 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)cc1C(=O)[O-] ZINC000042792212 1400416418 /nfs/dbraw/zinc/41/64/18/1400416418.db2.gz JZGNOBVOQOMRBP-UHFFFAOYSA-N -2 3 377.418 3.310 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc1C(=O)[O-] ZINC000048382557 1405172050 /nfs/dbraw/zinc/17/20/50/1405172050.db2.gz ISARWCUVNWVEFO-UHFFFAOYSA-N -2 3 385.445 3.047 20 0 GGADHL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c1 ZINC000052025370 1405904418 /nfs/dbraw/zinc/90/44/18/1405904418.db2.gz IIXUUNLFERXGMJ-UHFFFAOYSA-N -2 3 383.397 3.126 20 0 GGADHL O=S(=O)([N-]c1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1ccccc1 ZINC000057497677 1407637768 /nfs/dbraw/zinc/63/77/68/1407637768.db2.gz YHUWGSLJZQLBDX-UHFFFAOYSA-N -2 3 388.470 3.288 20 0 GGADHL O=C([N-]NC(=O)c1ccc(Cl)cc1[O-])c1ccc(COc2ccccc2)o1 ZINC000060795510 1408035137 /nfs/dbraw/zinc/03/51/37/1408035137.db2.gz WCFAAUJCXXDTDH-UHFFFAOYSA-N -2 3 386.791 3.292 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)ccc1OC(C)C ZINC000822211611 1428343536 /nfs/dbraw/zinc/34/35/36/1428343536.db2.gz HMIRMNXCFKAKIV-UHFFFAOYSA-N -2 3 387.465 3.072 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)ccc1OC(C)C ZINC000822211611 1428343540 /nfs/dbraw/zinc/34/35/40/1428343540.db2.gz HMIRMNXCFKAKIV-UHFFFAOYSA-N -2 3 387.465 3.072 20 0 GGADHL COC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)ccc1F ZINC000066587830 1408861732 /nfs/dbraw/zinc/86/17/32/1408861732.db2.gz QSTQKLOGKJGKOK-UHFFFAOYSA-N -2 3 396.396 3.120 20 0 GGADHL Cc1ccn(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3C)c2)n1 ZINC000078726076 1409935224 /nfs/dbraw/zinc/93/52/24/1409935224.db2.gz NZYDRGOUEOGFCA-UHFFFAOYSA-N -2 3 385.445 3.297 20 0 GGADHL O=C(Cc1ccccc1F)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826423844 1428808310 /nfs/dbraw/zinc/80/83/10/1428808310.db2.gz JMBCPNWCSXKARV-UHFFFAOYSA-N -2 3 380.408 3.311 20 0 GGADHL O=C(Cc1ccccc1F)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826423844 1428808313 /nfs/dbraw/zinc/80/83/13/1428808313.db2.gz JMBCPNWCSXKARV-UHFFFAOYSA-N -2 3 380.408 3.311 20 0 GGADHL CCC[C@H]1C[C@H]1NC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821034408 1428960920 /nfs/dbraw/zinc/96/09/20/1428960920.db2.gz LXOZPDHTILZNNU-DZGCQCFKSA-N -2 3 383.481 3.224 20 0 GGADHL CCC[C@H]1C[C@H]1NC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821034408 1428960923 /nfs/dbraw/zinc/96/09/23/1428960923.db2.gz LXOZPDHTILZNNU-DZGCQCFKSA-N -2 3 383.481 3.224 20 0 GGADHL C[C@@H](C(=O)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1cccnc1 ZINC000819877562 1428961126 /nfs/dbraw/zinc/96/11/26/1428961126.db2.gz YINMFXJNLFAMQH-LLVKDONJSA-N -2 3 377.433 3.127 20 0 GGADHL C[C@@H](C(=O)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)c1cccnc1 ZINC000819877562 1428961129 /nfs/dbraw/zinc/96/11/29/1428961129.db2.gz YINMFXJNLFAMQH-LLVKDONJSA-N -2 3 377.433 3.127 20 0 GGADHL Cc1ncc(C=CC(=O)[N-]c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)s1 ZINC000737490722 1428987324 /nfs/dbraw/zinc/98/73/24/1428987324.db2.gz WMURDLWUYCOXLK-VOTSOKGWSA-N -2 3 395.473 3.407 20 0 GGADHL Cc1ncc(C=CC(=O)[N-]c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)s1 ZINC000737490722 1428987327 /nfs/dbraw/zinc/98/73/27/1428987327.db2.gz WMURDLWUYCOXLK-VOTSOKGWSA-N -2 3 395.473 3.407 20 0 GGADHL CN(Cc1nc(=O)c2sccc2[n-]1)Cc1cccc(Br)c1[O-] ZINC000137006736 1417362579 /nfs/dbraw/zinc/36/25/79/1417362579.db2.gz DBBSTGDNFBXLQG-UHFFFAOYSA-N -2 3 380.267 3.085 20 0 GGADHL O=C([N-]NC(=O)c1c([O-])cccc1Cl)c1ccc(COc2ccccc2)o1 ZINC000143769398 1417647519 /nfs/dbraw/zinc/64/75/19/1417647519.db2.gz RCDVIFWGLYQYKA-UHFFFAOYSA-N -2 3 386.791 3.292 20 0 GGADHL O=C(CNc1ccc(-c2nnn[n-]2)cc1)[N-]c1cnc(-c2ccccc2)s1 ZINC000826413079 1429223815 /nfs/dbraw/zinc/22/38/15/1429223815.db2.gz PXYWROVJZFSJAS-UHFFFAOYSA-N -2 3 377.433 3.041 20 0 GGADHL O=C(CNc1ccc(-c2nn[n-]n2)cc1)[N-]c1cnc(-c2ccccc2)s1 ZINC000826413079 1429223822 /nfs/dbraw/zinc/22/38/22/1429223822.db2.gz PXYWROVJZFSJAS-UHFFFAOYSA-N -2 3 377.433 3.041 20 0 GGADHL O=C([N-]c1nc2c(s1)CCCCC2)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823238454 1429408053 /nfs/dbraw/zinc/40/80/53/1429408053.db2.gz NJTPTZWAKBZBJG-UHFFFAOYSA-N -2 3 387.444 3.053 20 0 GGADHL O=C([N-]c1nc2c(s1)CCCCC2)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823238454 1429408056 /nfs/dbraw/zinc/40/80/56/1429408056.db2.gz NJTPTZWAKBZBJG-UHFFFAOYSA-N -2 3 387.444 3.053 20 0 GGADHL O=C(CC1(O)CCCCC1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826404000 1429465498 /nfs/dbraw/zinc/46/54/98/1429465498.db2.gz KXPXGOHILVHCGU-UHFFFAOYSA-N -2 3 384.465 3.014 20 0 GGADHL O=C(CC1(O)CCCCC1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826404000 1429465502 /nfs/dbraw/zinc/46/55/02/1429465502.db2.gz KXPXGOHILVHCGU-UHFFFAOYSA-N -2 3 384.465 3.014 20 0 GGADHL Cc1cc(C(=O)Nc2cc(F)ccc2[O-])ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000179651403 1429489887 /nfs/dbraw/zinc/48/98/87/1429489887.db2.gz VNVUTCBVVHLDOI-UHFFFAOYSA-N -2 3 392.330 3.354 20 0 GGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c(C)c1 ZINC000736489843 1429531589 /nfs/dbraw/zinc/53/15/89/1429531589.db2.gz BTEYHCVLTKOCOY-UHFFFAOYSA-N -2 3 387.465 3.073 20 0 GGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c(C)c1 ZINC000736489843 1429531592 /nfs/dbraw/zinc/53/15/92/1429531592.db2.gz BTEYHCVLTKOCOY-UHFFFAOYSA-N -2 3 387.465 3.073 20 0 GGADHL Cc1ccc(-c2noc([N-]Cc3nc(-c4cccc(-c5nn[n-]n5)c4)c[nH]3)n2)cc1 ZINC000826280446 1423778148 /nfs/dbraw/zinc/77/81/48/1423778148.db2.gz BVFWRICXEGKMFW-UHFFFAOYSA-N -2 3 399.418 3.227 20 0 GGADHL Cc1ccc(-c2noc([N-]Cc3nc(-c4cccc(-c5nnn[n-]5)c4)c[nH]3)n2)cc1 ZINC000826280446 1423778153 /nfs/dbraw/zinc/77/81/53/1423778153.db2.gz BVFWRICXEGKMFW-UHFFFAOYSA-N -2 3 399.418 3.227 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-][N-]C(=O)c2ccc(Cl)cc2F)c1Cl ZINC000180001797 1429684302 /nfs/dbraw/zinc/68/43/02/1429684302.db2.gz HXNZSUOFKBOXMQ-UHFFFAOYSA-N -2 3 377.224 3.064 20 0 GGADHL Cc1cc(Br)c([O-])c(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826256674 1424527744 /nfs/dbraw/zinc/52/77/44/1424527744.db2.gz VGHRHQWEKOXYSB-UHFFFAOYSA-N -2 3 388.225 3.204 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1-c1nn[n-]n1 ZINC000826303855 1424818947 /nfs/dbraw/zinc/81/89/47/1424818947.db2.gz JCDHMPPTQRAOLR-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL CC(C)(C)c1cnc([N-]C(=O)[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819966129 1424847344 /nfs/dbraw/zinc/84/73/44/1424847344.db2.gz XIGFOQMCUCNDHX-AWEZNQCLSA-N -2 3 397.508 3.228 20 0 GGADHL CC(C)(C)c1cnc([N-]C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819966129 1424847350 /nfs/dbraw/zinc/84/73/50/1424847350.db2.gz XIGFOQMCUCNDHX-AWEZNQCLSA-N -2 3 397.508 3.228 20 0 GGADHL O=C([N-]c1nc(Sc2ccccc2)ns1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738213579 1424930264 /nfs/dbraw/zinc/93/02/64/1424930264.db2.gz ZHKSMCPHLCHWHM-UHFFFAOYSA-N -2 3 381.446 3.122 20 0 GGADHL C[C@@H]1CCN(C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C[C@@H]1C ZINC000824947048 1424959476 /nfs/dbraw/zinc/95/94/76/1424959476.db2.gz MCVAINIUVCRPGS-OLZOCXBDSA-N -2 3 397.508 3.424 20 0 GGADHL C[C@@H]1CCN(C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C[C@@H]1C ZINC000824947048 1424959477 /nfs/dbraw/zinc/95/94/77/1424959477.db2.gz MCVAINIUVCRPGS-OLZOCXBDSA-N -2 3 397.508 3.424 20 0 GGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000824334243 1425173650 /nfs/dbraw/zinc/17/36/50/1425173650.db2.gz SVCBOLBFQQVBLF-UHFFFAOYSA-N -2 3 393.856 3.108 20 0 GGADHL O=C(Cc1cccc(-c2nnn[n-]2)c1)[N-]c1ncc(Cc2cccc(F)c2)s1 ZINC000823108431 1425343345 /nfs/dbraw/zinc/34/33/45/1425343345.db2.gz NCFMLKWFNJIONC-UHFFFAOYSA-N -2 3 394.435 3.234 20 0 GGADHL O=C(Cc1cccc(-c2nn[n-]n2)c1)[N-]c1ncc(Cc2cccc(F)c2)s1 ZINC000823108431 1425343349 /nfs/dbraw/zinc/34/33/49/1425343349.db2.gz NCFMLKWFNJIONC-UHFFFAOYSA-N -2 3 394.435 3.234 20 0 GGADHL CCCc1csc([N-]C(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)n1 ZINC000825348724 1425690279 /nfs/dbraw/zinc/69/02/79/1425690279.db2.gz XZZBBLHGHOHPTO-UHFFFAOYSA-N -2 3 399.480 3.023 20 0 GGADHL CCCc1csc([N-]C(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)n1 ZINC000825348724 1425690284 /nfs/dbraw/zinc/69/02/84/1425690284.db2.gz XZZBBLHGHOHPTO-UHFFFAOYSA-N -2 3 399.480 3.023 20 0 GGADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2)cc1 ZINC000738342753 1425987380 /nfs/dbraw/zinc/98/73/80/1425987380.db2.gz PGZKGSUMAZCHEX-UHFFFAOYSA-N -2 3 395.419 3.474 20 0 GGADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2)cc1 ZINC000738342753 1425987385 /nfs/dbraw/zinc/98/73/85/1425987385.db2.gz PGZKGSUMAZCHEX-UHFFFAOYSA-N -2 3 395.419 3.474 20 0 GGADHL CC1(C)CCN(C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000820595774 1426296143 /nfs/dbraw/zinc/29/61/43/1426296143.db2.gz JIOSGPRWCPVSMP-UHFFFAOYSA-N -2 3 383.481 3.178 20 0 GGADHL CC1(C)CCN(C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000820595774 1426296148 /nfs/dbraw/zinc/29/61/48/1426296148.db2.gz JIOSGPRWCPVSMP-UHFFFAOYSA-N -2 3 383.481 3.178 20 0 GGADHL CCc1nc([N-]C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)sc1C ZINC000821508957 1426451588 /nfs/dbraw/zinc/45/15/88/1426451588.db2.gz CPDNDUORMAUHKW-UHFFFAOYSA-N -2 3 383.481 3.391 20 0 GGADHL CCc1nc([N-]C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)sc1C ZINC000821508957 1426451590 /nfs/dbraw/zinc/45/15/90/1426451590.db2.gz CPDNDUORMAUHKW-UHFFFAOYSA-N -2 3 383.481 3.391 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)c1 ZINC000822267491 1426554685 /nfs/dbraw/zinc/55/46/85/1426554685.db2.gz WUYVXTORHQGPPZ-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL O=C(C=Cc1cccnc1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826403333 1426598866 /nfs/dbraw/zinc/59/88/66/1426598866.db2.gz PCNVEXABRILZIL-VOTSOKGWSA-N -2 3 375.417 3.037 20 0 GGADHL O=C(C=Cc1cccnc1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826403333 1426598870 /nfs/dbraw/zinc/59/88/70/1426598870.db2.gz PCNVEXABRILZIL-VOTSOKGWSA-N -2 3 375.417 3.037 20 0 GGADHL O=C([N-]c1nc(C(F)(F)F)cs1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826459866 1427002780 /nfs/dbraw/zinc/00/27/80/1427002780.db2.gz CHHSQSCAJUYENX-UHFFFAOYSA-N -2 3 395.370 3.153 20 0 GGADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1Cl)c1cccc(Cl)c1F ZINC000823583440 1427175939 /nfs/dbraw/zinc/17/59/39/1427175939.db2.gz QPYAIFDXUFUAJY-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1cc(-c2nnn[n-]2)ccc1Cl)c1cccc(Cl)c1F ZINC000823583440 1427175942 /nfs/dbraw/zinc/17/59/42/1427175942.db2.gz QPYAIFDXUFUAJY-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL CN(CC(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccccc1 ZINC000825892789 1427498246 /nfs/dbraw/zinc/49/82/46/1427498246.db2.gz SVSBLEKPZNDIPC-UHFFFAOYSA-N -2 3 391.460 3.065 20 0 GGADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000826250969 1427663220 /nfs/dbraw/zinc/66/32/20/1427663220.db2.gz BACWXGVICZTHHD-UHFFFAOYSA-N -2 3 395.423 3.009 20 0 GGADHL O=C(CSc1cccc(-c2nnn[n-]2)c1)[N-]c1nc2ccc(F)cc2s1 ZINC000823070759 1427701588 /nfs/dbraw/zinc/70/15/88/1427701588.db2.gz MQJAFXKNFKEYNU-UHFFFAOYSA-N -2 3 386.437 3.346 20 0 GGADHL O=C(CSc1cccc(-c2nn[n-]n2)c1)[N-]c1nc2ccc(F)cc2s1 ZINC000823070759 1427701591 /nfs/dbraw/zinc/70/15/91/1427701591.db2.gz MQJAFXKNFKEYNU-UHFFFAOYSA-N -2 3 386.437 3.346 20 0 GGADHL O=C(CCC1CCOCC1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826405832 1427730991 /nfs/dbraw/zinc/73/09/91/1427730991.db2.gz VXBBCLPFUHXRTD-UHFFFAOYSA-N -2 3 384.465 3.136 20 0 GGADHL O=C(CCC1CCOCC1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826405832 1427730997 /nfs/dbraw/zinc/73/09/97/1427730997.db2.gz VXBBCLPFUHXRTD-UHFFFAOYSA-N -2 3 384.465 3.136 20 0 GGADHL Cc1ccc(Cc2nnc([N-]C(=O)c3ccc(-c4nn[n-]n4)cc3C)s2)cc1 ZINC000826288839 1427883794 /nfs/dbraw/zinc/88/37/94/1427883794.db2.gz YRDJPNIWLNRDSU-UHFFFAOYSA-N -2 3 391.460 3.178 20 0 GGADHL Cc1nnc([N-]C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)s1 ZINC000826336415 1427978977 /nfs/dbraw/zinc/97/89/77/1427978977.db2.gz XJIMTWYILOLBKC-UHFFFAOYSA-N -2 3 379.405 3.071 20 0 GGADHL Cc1nnc([N-]C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)s1 ZINC000826336415 1427978980 /nfs/dbraw/zinc/97/89/80/1427978980.db2.gz XJIMTWYILOLBKC-UHFFFAOYSA-N -2 3 379.405 3.071 20 0 GGADHL CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182116330 1430414603 /nfs/dbraw/zinc/41/46/03/1430414603.db2.gz FSWLWOAUJISQSA-UHFFFAOYSA-N -2 3 392.330 3.174 20 0 GGADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cc2F)c1 ZINC000182492356 1430476873 /nfs/dbraw/zinc/47/68/73/1430476873.db2.gz JOMHGCPGCUYBHI-UHFFFAOYSA-N -2 3 381.816 3.480 20 0 GGADHL N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC000182494679 1430477460 /nfs/dbraw/zinc/47/74/60/1430477460.db2.gz KHZCCCFYQHUYPS-UHFFFAOYSA-N -2 3 387.642 3.481 20 0 GGADHL CCn1c(=O)c2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)cc2[n-]c1=S ZINC000182869811 1430557956 /nfs/dbraw/zinc/55/79/56/1430557956.db2.gz NQHWJTCVVMFYHN-UHFFFAOYSA-N -2 3 375.837 3.316 20 0 GGADHL O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000184620935 1430922064 /nfs/dbraw/zinc/92/20/64/1430922064.db2.gz OXAYSYHRUGDJIC-UHFFFAOYSA-N -2 3 391.174 3.003 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)c(F)cc1F ZINC000184867406 1431007822 /nfs/dbraw/zinc/00/78/22/1431007822.db2.gz FWGLUBZURVQQSK-UHFFFAOYSA-N -2 3 395.305 3.160 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1nc(C(C)(C)C)cs1 ZINC000185010946 1431041451 /nfs/dbraw/zinc/04/14/51/1431041451.db2.gz LVHNSAJEUBKVPO-VIFPVBQESA-N -2 3 386.470 3.317 20 0 GGADHL Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)s1 ZINC000185097807 1431060207 /nfs/dbraw/zinc/06/02/07/1431060207.db2.gz WALYJLKDHBERGU-SSDOTTSWSA-N -2 3 395.289 3.496 20 0 GGADHL CCOc1cc(C(=O)NN=c2ccc(C(F)(F)F)n[n-]2)cc(Cl)c1[O-] ZINC000186940322 1431572420 /nfs/dbraw/zinc/57/24/20/1431572420.db2.gz ZZENDVAUWDGIRM-UHFFFAOYSA-N -2 3 376.722 3.010 20 0 GGADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1C ZINC000190371450 1432369025 /nfs/dbraw/zinc/36/90/25/1432369025.db2.gz IUEFJHMUWNJCIY-UHFFFAOYSA-N -2 3 385.445 3.242 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)cc(C(=O)[O-])c1F ZINC000190374680 1432369292 /nfs/dbraw/zinc/36/92/92/1432369292.db2.gz FLBZUARCQKJAIJ-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL O=S(=O)([N-]c1ccc([O-])cc1F)c1cc(Br)cnc1Cl ZINC000193340123 1432982139 /nfs/dbraw/zinc/98/21/39/1432982139.db2.gz KKTHFYBXYKVSRR-UHFFFAOYSA-N -2 3 381.610 3.143 20 0 GGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1cc(F)c(F)cc1Br ZINC000193478456 1433005776 /nfs/dbraw/zinc/00/57/76/1433005776.db2.gz ROYHELKTVOUVPZ-UHFFFAOYSA-N -2 3 379.164 3.427 20 0 GGADHL CCCC[C@@H](CC)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000230951172 1433373035 /nfs/dbraw/zinc/37/30/35/1433373035.db2.gz NUWAWGWSCFXZRJ-SECBINFHSA-N -2 3 382.276 3.235 20 0 GGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)ccc1[O-] ZINC000268762251 1434554159 /nfs/dbraw/zinc/55/41/59/1434554159.db2.gz HUVXIISCYUFZAV-UHFFFAOYSA-N -2 3 378.450 3.155 20 0 GGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)ccc1[O-] ZINC000268796275 1434558375 /nfs/dbraw/zinc/55/83/75/1434558375.db2.gz WUVBXDBJGNXIIP-UHFFFAOYSA-N -2 3 394.424 3.079 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)c(C)c1C(=O)[O-] ZINC000270049984 1434696762 /nfs/dbraw/zinc/69/67/62/1434696762.db2.gz HKILMJJTACKJOK-UHFFFAOYSA-N -2 3 388.445 3.151 20 0 GGADHL C[C@H]1CN(C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CC[C@@H]1C ZINC000824947053 1441439456 /nfs/dbraw/zinc/43/94/56/1441439456.db2.gz MCVAINIUVCRPGS-STQMWFEESA-N -2 3 397.508 3.424 20 0 GGADHL C[C@H]1CN(C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CC[C@@H]1C ZINC000824947053 1441439458 /nfs/dbraw/zinc/43/94/58/1441439458.db2.gz MCVAINIUVCRPGS-STQMWFEESA-N -2 3 397.508 3.424 20 0 GGADHL Cc1c([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000822130632 1441504106 /nfs/dbraw/zinc/50/41/06/1441504106.db2.gz XUQNIFUEACXGDD-UHFFFAOYSA-N -2 3 387.465 3.011 20 0 GGADHL Cc1c([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000822130632 1441504110 /nfs/dbraw/zinc/50/41/10/1441504110.db2.gz XUQNIFUEACXGDD-UHFFFAOYSA-N -2 3 387.465 3.011 20 0 GGADHL CSc1ccc(C)c([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000826230278 1441568312 /nfs/dbraw/zinc/56/83/12/1441568312.db2.gz MFJBFFKUFHSWOG-UHFFFAOYSA-N -2 3 375.479 3.006 20 0 GGADHL O=C(CSc1ccc(-c2nn[n-]n2)cc1)[N-]c1nc(-c2ccc[nH]2)cs1 ZINC000737949637 1441569799 /nfs/dbraw/zinc/56/97/99/1441569799.db2.gz ZZYGUEBNLRKOSY-UHFFFAOYSA-N -2 3 383.462 3.049 20 0 GGADHL O=C(CSc1ccc(-c2nnn[n-]2)cc1)[N-]c1nc(-c2ccc[nH]2)cs1 ZINC000737949637 1441569800 /nfs/dbraw/zinc/56/98/00/1441569800.db2.gz ZZYGUEBNLRKOSY-UHFFFAOYSA-N -2 3 383.462 3.049 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2Cl)c1 ZINC000826288889 1441591152 /nfs/dbraw/zinc/59/11/52/1441591152.db2.gz BANGICRUOWBRGG-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2Cl)c1 ZINC000826288889 1441591154 /nfs/dbraw/zinc/59/11/54/1441591154.db2.gz BANGICRUOWBRGG-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL CC[C@H]1C[C@H](C(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCO1 ZINC000825183465 1441642493 /nfs/dbraw/zinc/64/24/93/1441642493.db2.gz OZQOHVMXRHCUPJ-KGLIPLIRSA-N -2 3 384.465 3.134 20 0 GGADHL CC[C@H]1C[C@H](C(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCO1 ZINC000825183465 1441642496 /nfs/dbraw/zinc/64/24/96/1441642496.db2.gz OZQOHVMXRHCUPJ-KGLIPLIRSA-N -2 3 384.465 3.134 20 0 GGADHL O=C(Nc1cccc([O-])c1F)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826457183 1441714342 /nfs/dbraw/zinc/71/43/42/1441714342.db2.gz PGYIQEMDFDYUGC-UHFFFAOYSA-N -2 3 392.350 3.151 20 0 GGADHL O=C(Nc1cccc([O-])c1F)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826457183 1441714348 /nfs/dbraw/zinc/71/43/48/1441714348.db2.gz PGYIQEMDFDYUGC-UHFFFAOYSA-N -2 3 392.350 3.151 20 0 GGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826288347 1441750210 /nfs/dbraw/zinc/75/02/10/1441750210.db2.gz BZBDEYZQNLYISJ-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826288347 1441750214 /nfs/dbraw/zinc/75/02/14/1441750214.db2.gz BZBDEYZQNLYISJ-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)cc(C)c1F ZINC000737282210 1441976410 /nfs/dbraw/zinc/97/64/10/1441976410.db2.gz CAZSOUHJCPJEQN-UHFFFAOYSA-N -2 3 381.820 3.077 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)cc(C)c1F ZINC000737282210 1441976412 /nfs/dbraw/zinc/97/64/12/1441976412.db2.gz CAZSOUHJCPJEQN-UHFFFAOYSA-N -2 3 381.820 3.077 20 0 GGADHL Cc1onc(CC(=O)[N-]c2nc(-c3ccc(C)cc3)c(C)s2)c1-c1nnn[n-]1 ZINC000826273689 1441992084 /nfs/dbraw/zinc/99/20/84/1441992084.db2.gz PQQAJWMFDRWRNZ-UHFFFAOYSA-N -2 3 395.448 3.085 20 0 GGADHL Cc1onc(CC(=O)[N-]c2nc(-c3ccc(C)cc3)c(C)s2)c1-c1nn[n-]n1 ZINC000826273689 1441992086 /nfs/dbraw/zinc/99/20/86/1441992086.db2.gz PQQAJWMFDRWRNZ-UHFFFAOYSA-N -2 3 395.448 3.085 20 0 GGADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000736325120 1442109547 /nfs/dbraw/zinc/10/95/47/1442109547.db2.gz FHWRNWHPLFGSFI-CYBMUJFWSA-N -2 3 387.465 3.153 20 0 GGADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000736325120 1442109550 /nfs/dbraw/zinc/10/95/50/1442109550.db2.gz FHWRNWHPLFGSFI-CYBMUJFWSA-N -2 3 387.465 3.153 20 0 GGADHL CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000820076512 1443221150 /nfs/dbraw/zinc/22/11/50/1443221150.db2.gz KGSWOIYTWRLROW-UHFFFAOYSA-N -2 3 387.465 3.092 20 0 GGADHL CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820076512 1443221152 /nfs/dbraw/zinc/22/11/52/1443221152.db2.gz KGSWOIYTWRLROW-UHFFFAOYSA-N -2 3 387.465 3.092 20 0 GGADHL O=C(CNc1ccc(-c2nnn[n-]2)cc1)[N-]c1ncc(C2CCCCC2)s1 ZINC000826412932 1443393248 /nfs/dbraw/zinc/39/32/48/1443393248.db2.gz KAEHGIQRLLMIKV-UHFFFAOYSA-N -2 3 383.481 3.422 20 0 GGADHL O=C(CNc1ccc(-c2nn[n-]n2)cc1)[N-]c1ncc(C2CCCCC2)s1 ZINC000826412932 1443393250 /nfs/dbraw/zinc/39/32/50/1443393250.db2.gz KAEHGIQRLLMIKV-UHFFFAOYSA-N -2 3 383.481 3.422 20 0 GGADHL CC(C)(C)c1cnc([N-]C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819966177 1443422451 /nfs/dbraw/zinc/42/24/51/1443422451.db2.gz YFRABWHYMBDYPT-UHFFFAOYSA-N -2 3 388.522 3.493 20 0 GGADHL CC(C)(C)c1cnc([N-]C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819966177 1443422455 /nfs/dbraw/zinc/42/24/55/1443422455.db2.gz YFRABWHYMBDYPT-UHFFFAOYSA-N -2 3 388.522 3.493 20 0 GGADHL CC(C)[C@H](C)CNC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735704072 1443629779 /nfs/dbraw/zinc/62/97/79/1443629779.db2.gz ZOSHZMIPQCGLON-GFCCVEGCSA-N -2 3 385.497 3.328 20 0 GGADHL CC(C)[C@H](C)CNC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735704072 1443629782 /nfs/dbraw/zinc/62/97/82/1443629782.db2.gz ZOSHZMIPQCGLON-GFCCVEGCSA-N -2 3 385.497 3.328 20 0 GGADHL CCc1ncsc1[N-]C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825754708 1443859662 /nfs/dbraw/zinc/85/96/62/1443859662.db2.gz FNTVSZBUBWURMQ-UHFFFAOYSA-N -2 3 381.465 3.207 20 0 GGADHL CCc1ncsc1[N-]C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825754708 1443859664 /nfs/dbraw/zinc/85/96/64/1443859664.db2.gz FNTVSZBUBWURMQ-UHFFFAOYSA-N -2 3 381.465 3.207 20 0 GGADHL Cc1nc(SCc2ccc(-c3nn[n-]n3)cc2Br)[n-]c(=O)c1C ZINC000826327850 1446246431 /nfs/dbraw/zinc/24/64/31/1446246431.db2.gz WMTPHVKUOATZRF-UHFFFAOYSA-N -2 3 393.270 3.034 20 0 GGADHL Cc1nc(SCc2ccc(-c3nnn[n-]3)cc2Br)[n-]c(=O)c1C ZINC000826327850 1446246437 /nfs/dbraw/zinc/24/64/37/1446246437.db2.gz WMTPHVKUOATZRF-UHFFFAOYSA-N -2 3 393.270 3.034 20 0 GGADHL Cc1nc(CC(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c(C)s1 ZINC000826324847 1446313042 /nfs/dbraw/zinc/31/30/42/1446313042.db2.gz GVZQQOXWHGZRTA-UHFFFAOYSA-N -2 3 397.489 3.245 20 0 GGADHL Cc1nc(CC(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c(C)s1 ZINC000826324847 1446313047 /nfs/dbraw/zinc/31/30/47/1446313047.db2.gz GVZQQOXWHGZRTA-UHFFFAOYSA-N -2 3 397.489 3.245 20 0 GGADHL O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)cc1[O-] ZINC000826406206 1446397384 /nfs/dbraw/zinc/39/73/84/1446397384.db2.gz MNYLUCWMLMRTCC-UHFFFAOYSA-N -2 3 387.827 3.414 20 0 GGADHL O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)cc1[O-] ZINC000826406206 1446397390 /nfs/dbraw/zinc/39/73/90/1446397390.db2.gz MNYLUCWMLMRTCC-UHFFFAOYSA-N -2 3 387.827 3.414 20 0 GGADHL CCC1(C(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCOCC1 ZINC000825165256 1446450382 /nfs/dbraw/zinc/45/03/82/1446450382.db2.gz XDMAEEPPHDYOOR-UHFFFAOYSA-N -2 3 384.465 3.136 20 0 GGADHL CCC1(C(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCOCC1 ZINC000825165256 1446450386 /nfs/dbraw/zinc/45/03/86/1446450386.db2.gz XDMAEEPPHDYOOR-UHFFFAOYSA-N -2 3 384.465 3.136 20 0 GGADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000737301702 1446889745 /nfs/dbraw/zinc/88/97/45/1446889745.db2.gz QURAWNMIIDEPOY-UHFFFAOYSA-N -2 3 399.476 3.297 20 0 GGADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)cc1 ZINC000737301702 1446889750 /nfs/dbraw/zinc/88/97/50/1446889750.db2.gz QURAWNMIIDEPOY-UHFFFAOYSA-N -2 3 399.476 3.297 20 0 GGADHL C[C@H](C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)c1cccnc1 ZINC000824052349 1447298885 /nfs/dbraw/zinc/29/88/85/1447298885.db2.gz NOCMLQVFRQNULZ-NSHDSACASA-N -2 3 377.433 3.127 20 0 GGADHL C[C@H](C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1cccnc1 ZINC000824052349 1447298891 /nfs/dbraw/zinc/29/88/91/1447298891.db2.gz NOCMLQVFRQNULZ-NSHDSACASA-N -2 3 377.433 3.127 20 0 GGADHL C[C@@H]1CC[C@H](CCC(=O)[N-]c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)O1 ZINC000820689665 1447328235 /nfs/dbraw/zinc/32/82/35/1447328235.db2.gz AOMHWLBBNLNKPS-BXUZGUMPSA-N -2 3 384.465 3.276 20 0 GGADHL C[C@@H]1CC[C@H](CCC(=O)[N-]c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)O1 ZINC000820689665 1447328243 /nfs/dbraw/zinc/32/82/43/1447328243.db2.gz AOMHWLBBNLNKPS-BXUZGUMPSA-N -2 3 384.465 3.276 20 0 GGADHL CC(C)c1csc([N-]C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735939256 1449313489 /nfs/dbraw/zinc/31/34/89/1449313489.db2.gz MHMSGHMMXROGGH-OAHLLOKOSA-N -2 3 383.481 3.054 20 0 GGADHL C[C@H]1CN(C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C[C@@H]1C ZINC000820742986 1449562416 /nfs/dbraw/zinc/56/24/16/1449562416.db2.gz OVIMRJYEVQSSFR-RYUDHWBXSA-N -2 3 383.481 3.034 20 0 GGADHL C[C@H]1CN(C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C[C@@H]1C ZINC000820742986 1449562421 /nfs/dbraw/zinc/56/24/21/1449562421.db2.gz OVIMRJYEVQSSFR-RYUDHWBXSA-N -2 3 383.481 3.034 20 0 GGADHL O=C(Cc1ccc(F)cc1F)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000823082573 1449752840 /nfs/dbraw/zinc/75/28/40/1449752840.db2.gz KGSSWDPROHWXPY-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL O=C(Cc1ccc(F)cc1F)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000823082573 1449752844 /nfs/dbraw/zinc/75/28/44/1449752844.db2.gz KGSSWDPROHWXPY-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1C ZINC000822230304 1450068751 /nfs/dbraw/zinc/06/87/51/1450068751.db2.gz CCKKRPXHSOYYQL-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL C[C@H]1CC[C@H](CCC(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)O1 ZINC000820690963 1450200472 /nfs/dbraw/zinc/20/04/72/1450200472.db2.gz UNOVAVIKOGJZMY-SWLSCSKDSA-N -2 3 398.492 3.200 20 0 GGADHL C[C@H]1CC[C@H](CCC(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)O1 ZINC000820690963 1450200477 /nfs/dbraw/zinc/20/04/77/1450200477.db2.gz UNOVAVIKOGJZMY-SWLSCSKDSA-N -2 3 398.492 3.200 20 0 GGADHL CC(C)(c1nnc([N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)s1)c1ccccc1 ZINC000735680700 1450252632 /nfs/dbraw/zinc/25/26/32/1450252632.db2.gz XHWWAQDRMAGHHC-UHFFFAOYSA-N -2 3 391.460 3.296 20 0 GGADHL C[C@@H](CC(=O)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)n1cccc1 ZINC000735975800 1450297504 /nfs/dbraw/zinc/29/75/04/1450297504.db2.gz JDMGHYFZZJCLIP-LBPRGKRZSA-N -2 3 379.449 3.382 20 0 GGADHL C[C@@H](CC(=O)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)n1cccc1 ZINC000735975800 1450297507 /nfs/dbraw/zinc/29/75/07/1450297507.db2.gz JDMGHYFZZJCLIP-LBPRGKRZSA-N -2 3 379.449 3.382 20 0 GGADHL Cc1noc(C)c1[C@@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826338446 1450311257 /nfs/dbraw/zinc/31/12/57/1450311257.db2.gz VSZNIGIHBDLQIZ-SECBINFHSA-N -2 3 395.448 3.337 20 0 GGADHL Cc1noc(C)c1[C@@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826338446 1450311259 /nfs/dbraw/zinc/31/12/59/1450311259.db2.gz VSZNIGIHBDLQIZ-SECBINFHSA-N -2 3 395.448 3.337 20 0 GGADHL CCc1cnc([N-]C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000825733283 1450344573 /nfs/dbraw/zinc/34/45/73/1450344573.db2.gz ALEGLRAQXCQXLR-UHFFFAOYSA-N -2 3 381.465 3.207 20 0 GGADHL CCc1cnc([N-]C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000825733283 1450344576 /nfs/dbraw/zinc/34/45/76/1450344576.db2.gz ALEGLRAQXCQXLR-UHFFFAOYSA-N -2 3 381.465 3.207 20 0 GGADHL O=C(Cc1cccc(-c2nnn[n-]2)c1)[N-]c1ncc(Cc2ccccc2F)s1 ZINC000823109065 1450353831 /nfs/dbraw/zinc/35/38/31/1450353831.db2.gz WYLOYSIBLLGAPB-UHFFFAOYSA-N -2 3 394.435 3.234 20 0 GGADHL O=C(Cc1cccc(-c2nn[n-]n2)c1)[N-]c1ncc(Cc2ccccc2F)s1 ZINC000823109065 1450353835 /nfs/dbraw/zinc/35/38/35/1450353835.db2.gz WYLOYSIBLLGAPB-UHFFFAOYSA-N -2 3 394.435 3.234 20 0 GGADHL CCCc1csc([N-]C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000825348485 1450413778 /nfs/dbraw/zinc/41/37/78/1450413778.db2.gz MZYNYLFZOAPDNA-UHFFFAOYSA-N -2 3 386.481 3.464 20 0 GGADHL CCCc1csc([N-]C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000825348485 1450413779 /nfs/dbraw/zinc/41/37/79/1450413779.db2.gz MZYNYLFZOAPDNA-UHFFFAOYSA-N -2 3 386.481 3.464 20 0 GGADHL CC(C)[C@H]1CCN(C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000820039472 1450462746 /nfs/dbraw/zinc/46/27/46/1450462746.db2.gz XHORVQPRDKTYCP-HNNXBMFYSA-N -2 3 397.508 3.424 20 0 GGADHL CC(C)[C@H]1CCN(C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C1 ZINC000820039472 1450462751 /nfs/dbraw/zinc/46/27/51/1450462751.db2.gz XHORVQPRDKTYCP-HNNXBMFYSA-N -2 3 397.508 3.424 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)N[C@](C)(C(=O)[O-])c3ccccc3)cc2)cc(=O)[n-]1 ZINC000788317319 939148914 /nfs/dbraw/zinc/14/89/14/939148914.db2.gz CSCMNTAEFGWFGY-NRFANRHFSA-N -2 3 392.415 3.279 20 0 GGADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCSc2ccc(Cl)cc21 ZINC000322814797 970931234 /nfs/dbraw/zinc/93/12/34/970931234.db2.gz FQJXJJXIXMVQQV-SECBINFHSA-N -2 3 390.895 3.010 20 0 GGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1Cl ZINC000327358934 971391990 /nfs/dbraw/zinc/39/19/90/971391990.db2.gz HJVYBKWAMHJCSD-UHFFFAOYSA-N -2 3 385.825 3.333 20 0 GGADHL O=S(=O)([N-]c1cc(Cl)ccc1-c1nn[n-]n1)c1cc(F)ccc1Cl ZINC000826492463 948406518 /nfs/dbraw/zinc/40/65/18/948406518.db2.gz MGZJYIKHYITMDK-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc(Br)cc2F)CCCCC1 ZINC000317676425 950913151 /nfs/dbraw/zinc/91/31/51/950913151.db2.gz CJYOSEPNNNRFOG-UHFFFAOYSA-N -2 3 394.262 3.044 20 0 GGADHL O=C([O-])CC1([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCCCC1 ZINC001594984714 951013685 /nfs/dbraw/zinc/01/36/85/951013685.db2.gz MPPOYPKMUJFDLO-UHFFFAOYSA-N -2 3 380.491 3.266 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)s1 ZINC001602911076 971857194 /nfs/dbraw/zinc/85/71/94/971857194.db2.gz ICFXLCYNPZPFOT-UHFFFAOYSA-N -2 3 379.394 3.146 20 0 GGADHL CCC[C@@](C)([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000383250405 971858405 /nfs/dbraw/zinc/85/84/05/971858405.db2.gz DSKKXHMWGSAXDK-GFCCVEGCSA-N -2 3 384.679 3.024 20 0 GGADHL CCN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)[C@H](C)C(=O)[O-] ZINC000662216292 954386235 /nfs/dbraw/zinc/38/62/35/954386235.db2.gz OGDVOSRZNJYZKA-SNVBAGLBSA-N -2 3 375.425 3.086 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCCCCC1 ZINC001594883567 954448590 /nfs/dbraw/zinc/44/85/90/954448590.db2.gz ZFGWAQROFWROKC-UHFFFAOYSA-N -2 3 399.362 3.180 20 0 GGADHL O=C([O-])[C@H]1C[C@@H](NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c2ccccc21 ZINC001594726872 957014808 /nfs/dbraw/zinc/01/48/08/957014808.db2.gz PAUQCZOZHPMXRU-XJKSGUPXSA-N -2 3 382.803 3.225 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000018995699 957103493 /nfs/dbraw/zinc/10/34/93/957103493.db2.gz AWXJTPUMWMODEP-UHFFFAOYSA-N -2 3 376.434 3.089 20 0 GGADHL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)cc2)n1 ZINC000026538913 957162274 /nfs/dbraw/zinc/16/22/74/957162274.db2.gz ZVYWLJKTRXXUGF-UHFFFAOYSA-N -2 3 385.445 3.297 20 0 GGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC000048382863 957458033 /nfs/dbraw/zinc/45/80/33/957458033.db2.gz ZGLILKVJROXPOC-UHFFFAOYSA-N -2 3 399.852 3.393 20 0 GGADHL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1C ZINC000055674326 957550188 /nfs/dbraw/zinc/55/01/88/957550188.db2.gz DULHCNAIGFKWGI-UHFFFAOYSA-N -2 3 376.434 3.069 20 0 GGADHL Cc1cc(Br)sc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C ZINC001594273819 957696606 /nfs/dbraw/zinc/69/66/06/957696606.db2.gz BUQGXGCSZPMWMU-JTQLQIEISA-N -2 3 398.344 3.234 20 0 GGADHL O=C([O-])c1c(F)ccc([N-]S(=O)(=O)c2ccccc2Br)c1F ZINC000390716624 972300679 /nfs/dbraw/zinc/30/06/79/972300679.db2.gz JFZWYGHUNDKAJA-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL COc1ccc2c(c1)oc(C(=O)[N-]c1ncn(CC(=O)[O-])n1)c2-c1ccccc1 ZINC001594112988 958537527 /nfs/dbraw/zinc/53/75/27/958537527.db2.gz YUVMIKOVAGVPCM-UHFFFAOYSA-N -2 3 392.371 3.037 20 0 GGADHL Cc1cnc(Br)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000391772742 972370049 /nfs/dbraw/zinc/37/00/49/972370049.db2.gz LJQGOWQZAYMONK-QPJJXVBHSA-N -2 3 397.250 3.051 20 0 GGADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(CN3CCCC3)c2)c1 ZINC001187578765 960546922 /nfs/dbraw/zinc/54/69/22/960546922.db2.gz AOYUBDWRRRQPGR-UHFFFAOYSA-N -2 3 394.880 3.435 20 0 GGADHL CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001192729511 960562802 /nfs/dbraw/zinc/56/28/02/960562802.db2.gz QIPRPHXWCMMKDF-UHFFFAOYSA-N -2 3 377.462 3.384 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)cc1 ZINC001192712447 960563393 /nfs/dbraw/zinc/56/33/93/960563393.db2.gz IPOCYPDUOKSLDG-UHFFFAOYSA-N -2 3 384.413 3.013 20 0 GGADHL Cc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c(C)c1 ZINC001259221624 960681295 /nfs/dbraw/zinc/68/12/95/960681295.db2.gz NZUSLIXDYNTWGY-UHFFFAOYSA-N -2 3 385.844 3.315 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2c(F)cccc2Cl)c(F)cc1Cl ZINC001259221478 960681590 /nfs/dbraw/zinc/68/15/90/960681590.db2.gz IWWWKKFVKGFRDD-UHFFFAOYSA-N -2 3 396.198 3.448 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc3ncccc3c2)c(F)cc1Cl ZINC001259222075 960684235 /nfs/dbraw/zinc/68/42/35/960684235.db2.gz HAUUZHACMWGZBZ-UHFFFAOYSA-N -2 3 394.811 3.204 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)c(F)cc1Cl ZINC001259224881 960691026 /nfs/dbraw/zinc/69/10/26/960691026.db2.gz TUJTXJMHVDHJNI-UHFFFAOYSA-N -2 3 383.828 3.187 20 0 GGADHL CC(C)(CC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001588778315 961287874 /nfs/dbraw/zinc/28/78/74/961287874.db2.gz GHJSCWIVWAPDOV-UHFFFAOYSA-N -2 3 388.898 3.243 20 0 GGADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000262424722 961711953 /nfs/dbraw/zinc/71/19/53/961711953.db2.gz CGRQQPGZXJWTJR-VIFPVBQESA-N -2 3 398.706 3.128 20 0 GGADHL O=C([O-])[C@@]1(C(=O)Nc2ccc([O-])c(-c3nc4ccccc4s3)c2)CCCO1 ZINC001574633550 962315009 /nfs/dbraw/zinc/31/50/09/962315009.db2.gz VTPWLZGQEPJHDN-IBGZPJMESA-N -2 3 384.413 3.241 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(Br)c2F)CCCCCC1 ZINC001574640270 962340163 /nfs/dbraw/zinc/34/01/63/962340163.db2.gz NJUKQBQRMJFQDI-UHFFFAOYSA-N -2 3 394.262 3.044 20 0 GGADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)c1 ZINC001573345204 962928279 /nfs/dbraw/zinc/92/82/79/962928279.db2.gz LCWMTWNBJPWMHM-DMZKTXOQSA-N -2 3 394.427 3.124 20 0 GGADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000313811122 963683107 /nfs/dbraw/zinc/68/31/07/963683107.db2.gz WFIKJRVNEWZWCY-UHFFFAOYSA-N -2 3 398.706 3.416 20 0 GGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Br ZINC000316684142 964041575 /nfs/dbraw/zinc/04/15/75/964041575.db2.gz XOOBHBKNGGADOL-UHFFFAOYSA-N -2 3 388.239 3.466 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c(Br)c1 ZINC000317079676 970324470 /nfs/dbraw/zinc/32/44/70/970324470.db2.gz CDOALFRXRCBKII-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000317289000 970346108 /nfs/dbraw/zinc/34/61/08/970346108.db2.gz FJEASAAQIKINIK-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]Cc2cccc(Cl)c2)c1F ZINC000320687289 970699596 /nfs/dbraw/zinc/69/95/96/970699596.db2.gz PRHWMQTVMLXOQI-UHFFFAOYSA-N -2 3 378.208 3.309 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])sc1Br ZINC001605219930 972969433 /nfs/dbraw/zinc/96/94/33/972969433.db2.gz WMLHSIICRZNWOQ-SECBINFHSA-N -2 3 398.344 3.377 20 0 GGADHL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccc(C2CCCC2)cc1 ZINC001605974337 972991540 /nfs/dbraw/zinc/99/15/40/972991540.db2.gz MIBBZPAFBGABDD-DLBZAZTESA-N -2 3 398.425 3.440 20 0 GGADHL O=C([O-])[C@@H]1CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c2ccccc21 ZINC001606025415 973119475 /nfs/dbraw/zinc/11/94/75/973119475.db2.gz DQQDMZWDPWWADQ-GFCCVEGCSA-N -2 3 384.338 3.025 20 0 GGADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC000438801982 974104929 /nfs/dbraw/zinc/10/49/29/974104929.db2.gz OTRXGQHTCBAFBG-UHFFFAOYSA-N -2 3 399.852 3.173 20 0 GGADHL CCc1ccc([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000440812140 974117171 /nfs/dbraw/zinc/11/71/71/974117171.db2.gz USDQQKQRHAFVKK-UHFFFAOYSA-N -3 3 377.418 3.009 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1OC(C)C ZINC000447271382 974125513 /nfs/dbraw/zinc/12/55/13/974125513.db2.gz NWDULTWQWYFMBI-UHFFFAOYSA-N -2 3 379.434 3.046 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2ccnc(C)n2)c1 ZINC000466325232 974188672 /nfs/dbraw/zinc/18/86/72/974188672.db2.gz KWDFSMFCLXLTGI-UHFFFAOYSA-N -2 3 383.429 3.259 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1F ZINC000489725236 974252799 /nfs/dbraw/zinc/25/27/99/974252799.db2.gz ZSPNPCJNYIUWPF-UHFFFAOYSA-N -2 3 393.314 3.266 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000507904112 974280001 /nfs/dbraw/zinc/28/00/01/974280001.db2.gz IPDWHTHKQQGEDP-NSHDSACASA-N -3 3 377.418 3.072 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)ccc1C(=O)[O-] ZINC000530145633 974355437 /nfs/dbraw/zinc/35/54/37/974355437.db2.gz SUFFLFXLNIHFJQ-UHFFFAOYSA-N -2 3 375.446 3.388 20 0 GGADHL COc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C(=O)[O-])c1 ZINC000535599972 974379411 /nfs/dbraw/zinc/37/94/11/974379411.db2.gz WUEWNGOLSSFYBN-UHFFFAOYSA-N -2 3 391.323 3.093 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000541802972 974412858 /nfs/dbraw/zinc/41/28/58/974412858.db2.gz VQCXRJYDDJSBRC-CQSZACIVSA-N -2 3 377.462 3.458 20 0 GGADHL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1)C(=O)[O-] ZINC000541807885 974413237 /nfs/dbraw/zinc/41/32/37/974413237.db2.gz WONAECYZLXZIKU-LBPRGKRZSA-N -2 3 399.415 3.395 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C ZINC000542736917 974416359 /nfs/dbraw/zinc/41/63/59/974416359.db2.gz BFZJNKXJVPPNBT-AWEZNQCLSA-N -2 3 377.462 3.458 20 0 GGADHL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1)C(=O)[O-] ZINC000544642476 974422120 /nfs/dbraw/zinc/42/21/20/974422120.db2.gz XOILMFCENWOFBE-ZDUSSCGKSA-N -2 3 389.473 3.464 20 0 GGADHL O=C([O-])c1ccccc1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000544646900 974422219 /nfs/dbraw/zinc/42/22/19/974422219.db2.gz ZWRRWAFOGKYNIC-UHFFFAOYSA-N -2 3 376.365 3.121 20 0 GGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)ccc1C ZINC000547551556 974434892 /nfs/dbraw/zinc/43/48/92/974434892.db2.gz BVGTYAAVJJTFDT-UHFFFAOYSA-N -2 3 376.434 3.069 20 0 GGADHL CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000547875300 974444102 /nfs/dbraw/zinc/44/41/02/974444102.db2.gz BPRFTKOQJCDUDT-UHFFFAOYSA-N -2 3 376.434 3.151 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3c(F)cccc3C(=O)[O-])cc2)co1 ZINC000548565563 974470134 /nfs/dbraw/zinc/47/01/34/974470134.db2.gz PMOLRWJSIALAHB-UHFFFAOYSA-N -2 3 376.365 3.288 20 0 GGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1cccc(C(=O)[O-])c1 ZINC000548568877 974470928 /nfs/dbraw/zinc/47/09/28/974470928.db2.gz AENBINUFACOLGN-UHFFFAOYSA-N -2 3 377.393 3.100 20 0 GGADHL COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000549541940 974475474 /nfs/dbraw/zinc/47/54/74/974475474.db2.gz HJIKXRPGGGHIFC-UHFFFAOYSA-N -2 3 393.314 3.352 20 0 GGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1 ZINC000569284726 974688011 /nfs/dbraw/zinc/68/80/11/974688011.db2.gz NKZJXVFCMMAEHT-UHFFFAOYSA-N -2 3 384.413 3.302 20 0 GGADHL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc2)nn1 ZINC000607616765 975017336 /nfs/dbraw/zinc/01/73/36/975017336.db2.gz XSXWUTKAZSGAKY-UHFFFAOYSA-N -2 3 399.428 3.385 20 0 GGADHL COc1ccccc1SC[C@H](C)C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663423321 975951187 /nfs/dbraw/zinc/95/11/87/975951187.db2.gz SMUHRIOWRFOYTG-LLVKDONJSA-N -2 3 399.490 3.002 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(OCC3CC3)c(F)c2)oc1C(=O)[O-] ZINC000663424959 975951325 /nfs/dbraw/zinc/95/13/25/975951325.db2.gz PHGNWQHMAGJFPR-LLVKDONJSA-N -2 3 397.424 3.254 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1C(F)(F)F ZINC000677232793 976030743 /nfs/dbraw/zinc/03/07/43/976030743.db2.gz CHOPHZKRCJPEFL-UHFFFAOYSA-N -2 3 387.335 3.139 20 0 GGADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc3ccccc3c2)s1 ZINC000681577494 976066419 /nfs/dbraw/zinc/06/64/19/976066419.db2.gz CNGTXLITHPIVOE-HNNXBMFYSA-N -2 3 390.486 3.353 20 0 GGADHL CC(C)c1ccc(C2(C[N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])CCCC2)cc1 ZINC001591948555 976500649 /nfs/dbraw/zinc/50/06/49/976500649.db2.gz JAJTYOWFHJVRFA-UHFFFAOYSA-N -2 3 391.493 3.022 20 0 GGADHL CC(C)c1ncc(Cl)c(C(=O)[N-]c2cccnc2SCCC(=O)[O-])n1 ZINC001592037163 976753244 /nfs/dbraw/zinc/75/32/44/976753244.db2.gz DIRZGGAPOOPKNI-UHFFFAOYSA-N -2 3 380.857 3.468 20 0 GGADHL C[C@@](CC(=O)[O-])([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC001592333420 977772795 /nfs/dbraw/zinc/77/27/95/977772795.db2.gz CTZSNAJDSJLYMF-ZDUSSCGKSA-N -2 3 385.791 3.281 20 0 GGADHL C[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001592465824 978209360 /nfs/dbraw/zinc/20/93/60/978209360.db2.gz NPZBGEIFRBYCGE-QMMMGPOBSA-N -2 3 394.262 3.143 20 0 GGADHL O=C([O-])CCSCc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000739753197 978652931 /nfs/dbraw/zinc/65/29/31/978652931.db2.gz FSKCPIJASXHXMI-GZTJUZNOSA-N -2 3 382.441 3.118 20 0 GGADHL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC000740700737 978676095 /nfs/dbraw/zinc/67/60/95/978676095.db2.gz DSUZNWBKOIDXAH-UHFFFAOYSA-N -2 3 399.371 3.031 20 0 GGADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000754861809 978696500 /nfs/dbraw/zinc/69/65/00/978696500.db2.gz GYXPRRWDXWWOLI-UHFFFAOYSA-N -2 3 398.706 3.416 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000757646105 978703167 /nfs/dbraw/zinc/70/31/67/978703167.db2.gz SNOVUJMHIRBMBF-UHFFFAOYSA-N -2 3 375.233 3.383 20 0 GGADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CCC2=CCCCC2)s1 ZINC000761231930 978706055 /nfs/dbraw/zinc/70/60/55/978706055.db2.gz SKJHTWQQMGURCU-UHFFFAOYSA-N -2 3 394.312 3.378 20 0 GGADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]Nc2c(Cl)cc(F)cc2Cl)c1 ZINC000768050438 978737055 /nfs/dbraw/zinc/73/70/55/978737055.db2.gz MMQVTTZAHFHZEP-UHFFFAOYSA-N -2 3 397.186 3.275 20 0 GGADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1c(Cl)cccc1Cl ZINC001592716400 979216853 /nfs/dbraw/zinc/21/68/53/979216853.db2.gz VDHAUAPLZUGQCY-MRVPVSSYSA-N -2 3 378.233 3.367 20 0 GGADHL C[C@@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001592722471 979225399 /nfs/dbraw/zinc/22/53/99/979225399.db2.gz MKNWTQTXNGIJJY-VIFPVBQESA-N -2 3 377.340 3.079 20 0 GGADHL O=C([O-])[C@H](C[C@H]1CCCc2ccccc21)NC(=O)c1nnc2ccccc2c1[O-] ZINC000836753030 979258210 /nfs/dbraw/zinc/25/82/10/979258210.db2.gz BDWKWGOUCVDOCG-KDOFPFPSSA-N -2 3 391.427 3.029 20 0 GGADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)CC(F)F ZINC000843288050 979333969 /nfs/dbraw/zinc/33/39/69/979333969.db2.gz JPWISUSXFDLAME-ZCFIWIBFSA-N -2 3 376.208 3.261 20 0 GGADHL CCC(CC)(C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)C(F)(F)F ZINC001595084226 979374473 /nfs/dbraw/zinc/37/44/73/979374473.db2.gz KMJJEPIWJLOKKE-UHFFFAOYSA-N -2 3 389.417 3.102 20 0 GGADHL CCC(CC)([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001595101897 979413246 /nfs/dbraw/zinc/41/32/46/979413246.db2.gz QFMLAEVNVZCUPF-UHFFFAOYSA-N -2 3 388.898 3.489 20 0 GGADHL C[C@@](Cc1ccc(Cl)cc1)(NCc1nnc(-c2ccccc2[O-])o1)C(=O)[O-] ZINC001592840294 979605245 /nfs/dbraw/zinc/60/52/45/979605245.db2.gz VQYUIWMTWAATDU-IBGZPJMESA-N -2 3 387.823 3.271 20 0 GGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1C ZINC000863428177 979664335 /nfs/dbraw/zinc/66/43/35/979664335.db2.gz SIRJVQOKMDWPFP-UHFFFAOYSA-N -2 3 379.434 3.048 20 0 GGADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)Oc1cccc(Cl)c1 ZINC001595170221 979733367 /nfs/dbraw/zinc/73/33/67/979733367.db2.gz RXBPKJKWDIYVER-LBPRGKRZSA-N -2 3 387.841 3.076 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1cccc2ccccc21 ZINC001595316869 980486822 /nfs/dbraw/zinc/48/68/22/980486822.db2.gz MLFKAVMKTYBDMV-AWEZNQCLSA-N -2 3 376.459 3.424 20 0 GGADHL CCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CCCC1 ZINC001595391911 980949889 /nfs/dbraw/zinc/94/98/89/980949889.db2.gz HYNGRKXODVQSBT-UHFFFAOYSA-N -2 3 394.262 3.288 20 0 GGADHL CCC[C@@](C)([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC001595566781 981463703 /nfs/dbraw/zinc/46/37/03/981463703.db2.gz VRMSBAVPHQNPJL-GFCCVEGCSA-N -2 3 384.679 3.024 20 0 GGADHL O=C([O-])[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)C[C@H]1c1ccc(Cl)cc1 ZINC000909629073 981556947 /nfs/dbraw/zinc/55/69/47/981556947.db2.gz QUZQQDZQQUNXRZ-LSDHHAIUSA-N -2 3 377.799 3.054 20 0 GGADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC001594830211 982010037 /nfs/dbraw/zinc/01/00/37/982010037.db2.gz RYXOXOSDYYQWCC-LBPRGKRZSA-N -2 3 384.679 3.024 20 0 GGADHL CC[C@@](C)([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C1CC1 ZINC001594853698 982116144 /nfs/dbraw/zinc/11/61/44/982116144.db2.gz HIBFNHXEFKJGJD-GFCCVEGCSA-N -2 3 382.301 3.066 20 0 GGADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC001595683365 982171367 /nfs/dbraw/zinc/17/13/67/982171367.db2.gz PSQSQXGZLPHGER-LLVKDONJSA-N -2 3 398.706 3.414 20 0 GGADHL CCCCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC001595683536 982173119 /nfs/dbraw/zinc/17/31/19/982173119.db2.gz UXBJTJHGNDZKFS-SNVBAGLBSA-N -2 3 387.351 3.036 20 0 GGADHL CCCCC[C@@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC001595686472 982174670 /nfs/dbraw/zinc/17/46/70/982174670.db2.gz ALEPKRNZJVDKKE-CQSZACIVSA-N -2 3 382.507 3.430 20 0 GGADHL O=C([O-])c1cnc([C@@H]2CCN(C(=O)CCCc3ccc([O-])c(F)c3)C2)s1 ZINC000911043859 982208565 /nfs/dbraw/zinc/20/85/65/982208565.db2.gz CQQVLJPJESFKGM-GFCCVEGCSA-N -2 3 378.425 3.025 20 0 GGADHL CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001594934538 982580025 /nfs/dbraw/zinc/58/00/25/982580025.db2.gz LGSZPKURCREPHI-JGVFFNPUSA-N -2 3 384.317 3.312 20 0 GGADHL CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001594934539 982580045 /nfs/dbraw/zinc/58/00/45/982580045.db2.gz LGSZPKURCREPHI-SFYZADRCSA-N -2 3 384.317 3.312 20 0 GGADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC001594952167 982664256 /nfs/dbraw/zinc/66/42/56/982664256.db2.gz CADGUCGRNXOFPG-KWQFWETISA-N -2 3 398.706 3.270 20 0 GGADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001595008600 982929339 /nfs/dbraw/zinc/92/93/39/982929339.db2.gz PJJHABWTDLMQRE-GFCCVEGCSA-N -2 3 379.434 3.372 20 0 GGADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1 ZINC001588661482 983786745 /nfs/dbraw/zinc/78/67/45/983786745.db2.gz KBLAVBVROKRQRJ-GOSISDBHSA-N -2 3 382.416 3.099 20 0 GGADHL CCOC(=O)[C@@H](Sc1nc2nc(C)cc(C(=O)[O-])c2c(=O)[n-]1)c1ccccc1 ZINC001596545058 984403332 /nfs/dbraw/zinc/40/33/32/984403332.db2.gz WGAJSPZOXQTPSQ-AWEZNQCLSA-N -2 3 399.428 3.134 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)c1cc2ccccc2o1 ZINC001599903062 984876565 /nfs/dbraw/zinc/87/65/65/984876565.db2.gz UXYXAHHJUYKIGL-VIFPVBQESA-N -2 3 381.356 3.449 20 0 GGADHL CCO[C@@H]1C[C@@](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])(C(=O)[O-])C1(C)C ZINC001596829479 985456823 /nfs/dbraw/zinc/45/68/23/985456823.db2.gz WWDYLPFEVTUGDO-AUSIDOKSSA-N -2 3 397.471 3.371 20 0 GGADHL CCO[C@H]1C[C@](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])(C(=O)[O-])C1(C)C ZINC001596829480 985456984 /nfs/dbraw/zinc/45/69/84/985456984.db2.gz WWDYLPFEVTUGDO-CVDCTZTESA-N -2 3 397.471 3.371 20 0 GGADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001589199673 985637528 /nfs/dbraw/zinc/63/75/28/985637528.db2.gz XVEHCJVLYGMIMQ-IBGZPJMESA-N -2 3 378.384 3.060 20 0 GGADHL CC(=O)c1ccc(C(=O)N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)cc1[O-] ZINC001589273443 985974692 /nfs/dbraw/zinc/97/46/92/985974692.db2.gz HTOWNCTYSBOXSQ-UHFFFAOYSA-N -2 3 382.416 3.010 20 0 GGADHL CC(=O)c1ccc(C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1[O-] ZINC001589275607 985985179 /nfs/dbraw/zinc/98/51/79/985985179.db2.gz IMMJVNJZCBNGJZ-IBGZPJMESA-N -2 3 391.423 3.421 20 0 GGADHL CCOc1cc(CNc2ccc(C(=O)NCCC(=O)[O-])cc2)cc(Cl)c1[O-] ZINC001597038308 986484029 /nfs/dbraw/zinc/48/40/29/986484029.db2.gz KXWVPRJRTAGKKL-UHFFFAOYSA-N -2 3 392.839 3.261 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2C)cc1OCC ZINC001597137297 986875440 /nfs/dbraw/zinc/87/54/40/986875440.db2.gz JXHDXDUGULKHHH-UHFFFAOYSA-N -2 3 397.424 3.431 20 0 GGADHL C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001594654438 986884447 /nfs/dbraw/zinc/88/44/47/986884447.db2.gz DZIOYUMRRYIVPI-BONVTDFDSA-N -2 3 389.454 3.400 20 0 GGADHL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cc([O-])cc(Br)c1)c1ccccc1 ZINC001589461922 986914336 /nfs/dbraw/zinc/91/43/36/986914336.db2.gz IOHBSQUDAGUNFS-ZUZCIYMTSA-N -2 3 378.222 3.347 20 0 GGADHL CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001597258565 987270011 /nfs/dbraw/zinc/27/00/11/987270011.db2.gz OZNZEBKDOILNNP-RYUDHWBXSA-N -2 3 381.878 3.130 20 0 GGADHL CCc1ccc(C(=O)N(CC(=O)[O-])Cc2cccc(Br)c2)c([O-])c1 ZINC001597499021 988050444 /nfs/dbraw/zinc/05/04/44/988050444.db2.gz UVFLBGLVNCJHBS-UHFFFAOYSA-N -2 3 392.249 3.444 20 0 GGADHL CCc1ccc([O-])c(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)c1 ZINC001597555930 988284378 /nfs/dbraw/zinc/28/43/78/988284378.db2.gz CQVNLGIVCXYECQ-SFHVURJKSA-N -2 3 396.443 3.286 20 0 GGADHL CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC001599812668 988364289 /nfs/dbraw/zinc/36/42/89/988364289.db2.gz OLJYTFNOYJNVPM-UHFFFAOYSA-N -2 3 381.475 3.371 20 0 GGADHL CSc1ccc([O-])c(C(=O)NCc2ccccc2-c2cc(C(=O)[O-])n[nH]2)c1 ZINC001599820223 988500190 /nfs/dbraw/zinc/50/01/90/988500190.db2.gz SVVGCIVQPARWDZ-UHFFFAOYSA-N -2 3 383.429 3.132 20 0 GGADHL CCc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc3ccccc32)s1 ZINC001597703201 988938387 /nfs/dbraw/zinc/93/83/87/988938387.db2.gz YFPCASILLKXPFP-OAHLLOKOSA-N -2 3 390.486 3.353 20 0 GGADHL CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC001590481000 990071590 /nfs/dbraw/zinc/07/15/90/990071590.db2.gz ZRDGSBBWZYKPRB-HNNXBMFYSA-N -2 3 385.416 3.364 20 0 GGADHL CN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C1(C(=O)[O-])CCCCC1 ZINC001598097636 990456236 /nfs/dbraw/zinc/45/62/36/990456236.db2.gz GNQXBMYOERXJLD-UHFFFAOYSA-N -2 3 383.470 3.350 20 0 GGADHL CN(C(=O)c1cnc(C2CC2)[n-]c1=O)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598098869 990465019 /nfs/dbraw/zinc/46/50/19/990465019.db2.gz YHOWAPLCTCZFNN-CYBMUJFWSA-N -2 3 396.230 3.264 20 0 GGADHL CN(C)Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1Cl ZINC001598252976 991036131 /nfs/dbraw/zinc/03/61/31/991036131.db2.gz UBZOKYGDINAPIC-UHFFFAOYSA-N -2 3 386.832 3.040 20 0 GGADHL CC(C)C(C)(C)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001590963888 991067523 /nfs/dbraw/zinc/06/75/23/991067523.db2.gz PESDGUPFEJSBKE-UHFFFAOYSA-N -2 3 384.317 3.169 20 0 GGADHL CC(C)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001590964161 991068717 /nfs/dbraw/zinc/06/87/17/991068717.db2.gz VFNBHRUHDFQTER-UHFFFAOYSA-N -2 3 396.278 3.247 20 0 GGADHL COc1ccccc1C1(C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CCCC1 ZINC001599703832 991262332 /nfs/dbraw/zinc/26/23/32/991262332.db2.gz KCMIAWJTPQKLSW-UHFFFAOYSA-N -2 3 393.461 3.085 20 0 GGADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc(C(F)(F)F)cc1 ZINC001591033423 991348014 /nfs/dbraw/zinc/34/80/14/991348014.db2.gz ROPZPDISXULPMW-CYBMUJFWSA-N -2 3 392.355 3.067 20 0 GGADHL CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)[O-])cc1 ZINC001598330113 991367602 /nfs/dbraw/zinc/36/76/02/991367602.db2.gz HCLGTCFDGJBCFH-UHFFFAOYSA-N -2 3 399.266 3.014 20 0 GGADHL CC(C)C[C@H](NC(=O)CSc1nnc([N-]c2ccccc2F)s1)C(=O)[O-] ZINC001591178929 991979292 /nfs/dbraw/zinc/97/92/92/991979292.db2.gz YKHURDOJHNGLAL-LBPRGKRZSA-N -2 3 398.485 3.128 20 0 GGADHL CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCO1 ZINC001591204971 992027181 /nfs/dbraw/zinc/02/71/81/992027181.db2.gz DMPUQLSNEGASLC-WDEREUQCSA-N -2 3 393.864 3.049 20 0 GGADHL COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)c(C(=O)[O-])ccc2Cl)c1 ZINC001599607258 993902657 /nfs/dbraw/zinc/90/26/57/993902657.db2.gz WRPGADPHAHNAAY-UHFFFAOYSA-N -2 3 385.825 3.165 20 0 GGADHL C[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593184428 994088438 /nfs/dbraw/zinc/08/84/38/994088438.db2.gz BUYKYGSXANQTKM-WFASDCNBSA-N -2 3 398.846 3.243 20 0 GGADHL COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1scc(C(=O)[O-])c1C)=C2 ZINC001599627905 994175672 /nfs/dbraw/zinc/17/56/72/994175672.db2.gz YOLOJRWBXGKGGT-UHFFFAOYSA-N -2 3 379.459 3.492 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[C@@H](C)c1ccccc1C(F)(F)F ZINC001593327113 994885583 /nfs/dbraw/zinc/88/55/83/994885583.db2.gz VFYWPRUKAVVKKE-ZJUUUORDSA-N -2 3 391.367 3.467 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)[C@@]12C[C@@H]1CCCC2 ZINC001593327084 994885653 /nfs/dbraw/zinc/88/56/53/994885653.db2.gz VARUQPJEHVHELM-XQJJYNOISA-N -2 3 375.849 3.424 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ncc(C(=O)[O-])s1 ZINC001593330162 994891005 /nfs/dbraw/zinc/89/10/05/994891005.db2.gz FFFMVEGKVUJCIS-ZCFIWIBFSA-N -2 3 381.262 3.188 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC001593347726 994960121 /nfs/dbraw/zinc/96/01/21/994960121.db2.gz RJTRATLHCNPKJB-AWEZNQCLSA-N -2 3 385.441 3.477 20 0 GGADHL COc1cccc([O-])c1C(=O)N1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001599680411 994971415 /nfs/dbraw/zinc/97/14/15/994971415.db2.gz PHKGFORLEHGSHG-UHFFFAOYSA-N -2 3 398.234 3.079 20 0 GGADHL C[C@@H](Oc1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1F)C(=O)[O-] ZINC001593632686 995921185 /nfs/dbraw/zinc/92/11/85/995921185.db2.gz XPSJECUNHIBPAF-MRVPVSSYSA-N -2 3 398.184 3.398 20 0 GGADHL CC1(C)CCc2onc(C[N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)c2C1 ZINC001593924307 996844907 /nfs/dbraw/zinc/84/49/07/996844907.db2.gz CEXVBKZLNZVOQT-UHFFFAOYSA-N -2 3 398.868 3.020 20 0 GGADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC001599382010 996871896 /nfs/dbraw/zinc/87/18/96/996871896.db2.gz QTYCIERDZGTCQM-CQSZACIVSA-N -2 3 395.399 3.183 20 0 GGADHL COC[C@@H]([N-]S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21)c1ccc(C)o1 ZINC001599177812 996884955 /nfs/dbraw/zinc/88/49/55/996884955.db2.gz GNHCCENADVUFMU-MRXNPFEDSA-N -2 3 389.429 3.105 20 0 GGADHL COCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC001599291714 997075683 /nfs/dbraw/zinc/07/56/83/997075683.db2.gz OWQVICXGUOGBQO-CYBMUJFWSA-N -2 3 397.415 3.177 20 0 GGADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(SC)ccc2[O-])cc1OC ZINC001599514147 997353330 /nfs/dbraw/zinc/35/33/30/997353330.db2.gz DFKXGLACPFVEJI-CQSZACIVSA-N -2 3 391.445 3.077 20 0 GGADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(SC)ccc2[O-])cc1OC ZINC001599514146 997353858 /nfs/dbraw/zinc/35/38/58/997353858.db2.gz DFKXGLACPFVEJI-AWEZNQCLSA-N -2 3 391.445 3.077 20 0 GGADHL COc1ccc(C(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC001599517326 997413996 /nfs/dbraw/zinc/41/39/96/997413996.db2.gz UUSAVTYUVIVJDU-OAHLLOKOSA-N -2 3 399.777 3.391 20 0 GGADHL COc1ccc([C@H]([N-]C(=O)C(F)(F)c2cccc(Cl)c2)C(=O)[O-])c(OC)c1 ZINC001599521640 997491263 /nfs/dbraw/zinc/49/12/63/997491263.db2.gz YNHBRPMRMZVWMV-HNNXBMFYSA-N -2 3 399.777 3.391 20 0 GGADHL COc1ccc([C@@H](NC(=O)c2cc(SC)ccc2[O-])C(=O)[O-])cc1Cl ZINC001599525570 997551247 /nfs/dbraw/zinc/55/12/47/997551247.db2.gz UBXNVKYJCBZHSR-OAHLLOKOSA-N -2 3 381.837 3.332 20 0 GGADHL COc1ccc([C@H](NC(=O)c2cc(SC)ccc2[O-])C(=O)[O-])cc1Cl ZINC001599525568 997551831 /nfs/dbraw/zinc/55/18/31/997551831.db2.gz UBXNVKYJCBZHSR-HNNXBMFYSA-N -2 3 381.837 3.332 20 0 GGADHL COc1ccc([C@H](NCc2nnc(-c3ccccc3[O-])o2)C(=O)[O-])cc1Cl ZINC001599532211 997675538 /nfs/dbraw/zinc/67/55/38/997675538.db2.gz WHJGVCYSOSIARP-INIZCTEOSA-N -2 3 389.795 3.020 20 0 GGADHL CC1([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)Cc2ccccc2C1 ZINC001594061492 997850073 /nfs/dbraw/zinc/85/00/73/997850073.db2.gz IRBVYPJPYHDXJG-UHFFFAOYSA-N -2 3 383.828 3.013 20 0 GGADHL C[C@@]1([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCCC[C@@H]1C(=O)[O-] ZINC001594066046 997877084 /nfs/dbraw/zinc/87/70/84/997877084.db2.gz NFZXHKONYGELSA-YMTOWFKASA-N -2 3 399.362 3.036 20 0 GGADHL C[C@]1([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCCC[C@@H]1C(=O)[O-] ZINC001594066094 997878305 /nfs/dbraw/zinc/87/83/05/997878305.db2.gz PKPJZHVSKGSEHU-DYVFJYSZSA-N -2 3 380.491 3.122 20 0 GGADHL C[C@@]1([N-]S(=O)(=O)c2csnc2-c2ccccc2)CCCC[C@H]1C(=O)[O-] ZINC001594066142 997878654 /nfs/dbraw/zinc/87/86/54/997878654.db2.gz QQUIDAHXWXGPLW-SUMWQHHRSA-N -2 3 380.491 3.122 20 0 GGADHL COc1c(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cccc1C(=O)[O-] ZINC001599342784 997948686 /nfs/dbraw/zinc/94/86/86/997948686.db2.gz PEXQBKVJFMWMNS-UHFFFAOYSA-N -2 3 394.383 3.331 20 0 GGADHL COc1cc(S(=O)(=O)[N-]c2c(C)c(C(=O)[O-])ccc2Cl)cnc1Cl ZINC001599459421 998246073 /nfs/dbraw/zinc/24/60/73/998246073.db2.gz LDOYVQXUEKBJRO-UHFFFAOYSA-N -2 3 391.232 3.204 20 0 GGADHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1Cl ZINC001598967319 998446800 /nfs/dbraw/zinc/44/68/00/998446800.db2.gz AUAFMKLVROBMOV-UHFFFAOYSA-N -2 3 397.836 3.242 20 0 GGADHL C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)o1 ZINC001594280020 999086427 /nfs/dbraw/zinc/08/64/27/999086427.db2.gz NTMNZNNXQLKOHS-WPRPVWTQSA-N -2 3 387.816 3.372 20 0 GGADHL C[C@H]1CC[C@](NCc2nnc(-c3ccccc3[O-])o2)(C(=O)[O-])c2ccccc21 ZINC001594319600 999228658 /nfs/dbraw/zinc/22/86/58/999228658.db2.gz GRUYKYLTGWSSIM-YEJXKQKISA-N -2 3 379.416 3.409 20 0 GGADHL C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C[C@H]1C ZINC001594326020 999252752 /nfs/dbraw/zinc/25/27/52/999252752.db2.gz AJLBAUSGURTMLV-IWSPIJDZSA-N -2 3 396.328 3.312 20 0 GGADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1OC ZINC000008107246 209763194 /nfs/dbraw/zinc/76/31/94/209763194.db2.gz UARIKMRWPDWLEW-UHFFFAOYSA-N -2 3 379.434 3.128 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Br)c(F)c1 ZINC000078938559 211151357 /nfs/dbraw/zinc/15/13/57/211151357.db2.gz DACUSZABRSVLND-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c1 ZINC000013278749 564275308 /nfs/dbraw/zinc/27/53/08/564275308.db2.gz BORVXTZDDAFCLS-UHFFFAOYSA-N -2 3 383.809 3.000 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1Br ZINC000120337785 564315672 /nfs/dbraw/zinc/31/56/72/564315672.db2.gz QZIBAHKPUMTWMG-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL C[C@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000022993255 564320765 /nfs/dbraw/zinc/32/07/65/564320765.db2.gz DYLQNJKXZZQHJT-HZMBPMFUSA-N -2 3 380.853 3.441 20 0 GGADHL C[C@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000022993259 564321236 /nfs/dbraw/zinc/32/12/36/564321236.db2.gz DYLQNJKXZZQHJT-IINYFYTJSA-N -2 3 380.853 3.441 20 0 GGADHL CC(C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000121539532 564373925 /nfs/dbraw/zinc/37/39/25/564373925.db2.gz WCPXAVSFOMRVCS-UHFFFAOYSA-N -2 3 382.869 3.327 20 0 GGADHL Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000122166845 564402879 /nfs/dbraw/zinc/40/28/79/564402879.db2.gz DPPHNVIJYZWMIB-UHFFFAOYSA-N -2 3 394.243 3.457 20 0 GGADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2ccc(F)c(F)c2F)o1 ZINC000033147262 564410912 /nfs/dbraw/zinc/41/09/12/564410912.db2.gz PNVNNLSKHKPVSR-UHFFFAOYSA-N -2 3 376.356 3.026 20 0 GGADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc(-c3ccc(F)cc3)s2)s1 ZINC000047293467 564517820 /nfs/dbraw/zinc/51/78/20/564517820.db2.gz AFSIQTKEFJNXAF-UHFFFAOYSA-N -2 3 398.466 3.030 20 0 GGADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccc(-c3ccccc3Cl)o2)s1 ZINC000047293202 564518058 /nfs/dbraw/zinc/51/80/58/564518058.db2.gz VTBBHGNHBAXGPF-UHFFFAOYSA-N -2 3 398.853 3.075 20 0 GGADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1ccc(F)c(F)c1F ZINC000127269343 564578939 /nfs/dbraw/zinc/57/89/39/564578939.db2.gz RJXKGLBWQFOLGZ-UHFFFAOYSA-N -2 3 396.184 3.051 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000127330980 564580925 /nfs/dbraw/zinc/58/09/25/564580925.db2.gz YJCHJAJFHYEVAS-SECBINFHSA-N -2 3 398.706 3.128 20 0 GGADHL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC000054795414 564609383 /nfs/dbraw/zinc/60/93/83/564609383.db2.gz IWVDUGOVHYWYBD-UHFFFAOYSA-N -3 3 390.200 3.191 20 0 GGADHL CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000057115793 564659865 /nfs/dbraw/zinc/65/98/65/564659865.db2.gz DCNPKDTZXSYMCD-UHFFFAOYSA-N -2 3 386.470 3.121 20 0 GGADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1 ZINC000058377301 564682526 /nfs/dbraw/zinc/68/25/26/564682526.db2.gz FCFZBRBMSOTRKY-UHFFFAOYSA-N -2 3 381.837 3.336 20 0 GGADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Br ZINC000060800218 564701920 /nfs/dbraw/zinc/70/19/20/564701920.db2.gz ZOJTWEQFYJESMF-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1C(=O)[O-] ZINC000063180386 564714238 /nfs/dbraw/zinc/71/42/38/564714238.db2.gz XAVYAYSXOLLMRQ-UHFFFAOYSA-N -3 3 383.809 3.154 20 0 GGADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1Cl ZINC000131513008 564715118 /nfs/dbraw/zinc/71/51/18/564715118.db2.gz RPYQHAKKXADEPU-UHFFFAOYSA-N -2 3 376.768 3.083 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)sc1Br ZINC000134700159 564812886 /nfs/dbraw/zinc/81/28/86/564812886.db2.gz LBPWEGCIECKLKJ-VIFPVBQESA-N -2 3 398.344 3.377 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)cc1C(=O)[O-] ZINC000068076916 564807480 /nfs/dbraw/zinc/80/74/80/564807480.db2.gz UGKPPDVMGZUKIW-UHFFFAOYSA-N -2 3 381.475 3.447 20 0 GGADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1F ZINC000134600504 564808109 /nfs/dbraw/zinc/80/81/09/564808109.db2.gz UZXJJLUBPFOSEK-UHFFFAOYSA-N -2 3 386.470 3.087 20 0 GGADHL CCC(CC)c1nnc([N-]C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)s1 ZINC000068208555 564811693 /nfs/dbraw/zinc/81/16/93/564811693.db2.gz LKBBVSVYXVBYPL-UHFFFAOYSA-N -2 3 386.474 3.205 20 0 GGADHL CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000135327225 564828158 /nfs/dbraw/zinc/82/81/58/564828158.db2.gz HJURLJNVNFCHOR-UHFFFAOYSA-N -2 3 386.470 3.121 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])sc1Br ZINC000135573003 564835639 /nfs/dbraw/zinc/83/56/39/564835639.db2.gz XBFVHCGREJHKNI-TVQRCGJNSA-N -2 3 396.328 3.131 20 0 GGADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000136742100 564854594 /nfs/dbraw/zinc/85/45/94/564854594.db2.gz YPRQJQOCVUIIFH-LLVKDONJSA-N -2 3 398.706 3.270 20 0 GGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Br ZINC000071415298 564855803 /nfs/dbraw/zinc/85/58/03/564855803.db2.gz MMZCQHOMXZWNLR-UHFFFAOYSA-N -2 3 376.253 3.318 20 0 GGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000071415415 564855971 /nfs/dbraw/zinc/85/59/71/564855971.db2.gz AKDFIJBHXUIUQC-UHFFFAOYSA-N -2 3 394.243 3.457 20 0 GGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000071415377 564855995 /nfs/dbraw/zinc/85/59/95/564855995.db2.gz SDNFTNSWLLJQCR-UHFFFAOYSA-N -2 3 394.243 3.457 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)C(C)C)c(F)c2)c1 ZINC000137185477 564859424 /nfs/dbraw/zinc/85/94/24/564859424.db2.gz HDWIRCLROSXXTI-UHFFFAOYSA-N -2 3 386.470 3.085 20 0 GGADHL O=C(Nc1ccncc1[O-])c1cc(Br)c([O-])c(Br)c1 ZINC000153831015 565013246 /nfs/dbraw/zinc/01/32/46/565013246.db2.gz SYRUNWPGVQIHGU-UHFFFAOYSA-N -2 3 388.015 3.270 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000185010386 565171295 /nfs/dbraw/zinc/17/12/95/565171295.db2.gz OBAIWRBASQIVMO-SECBINFHSA-N -2 3 386.470 3.317 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)c1nc(C(C)(C)C)cs1 ZINC000185010648 565171995 /nfs/dbraw/zinc/17/19/95/565171995.db2.gz LXFWCEXLEGLYCK-VIFPVBQESA-N -2 3 386.470 3.317 20 0 GGADHL Cc1csc(C2([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])CCCC2)n1 ZINC000185025322 565172509 /nfs/dbraw/zinc/17/25/09/565172509.db2.gz FMQWHUTUFOIQFO-UHFFFAOYSA-N -2 3 384.479 3.107 20 0 GGADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)CCCC2)n1 ZINC000185025295 565172958 /nfs/dbraw/zinc/17/29/58/565172958.db2.gz QZKFNQQQJGMWIP-UHFFFAOYSA-N -2 3 386.520 3.267 20 0 GGADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C2CC2)s1 ZINC000185068922 565176401 /nfs/dbraw/zinc/17/64/01/565176401.db2.gz AAFVGTFZTMWDKP-CYBMUJFWSA-N -2 3 386.882 3.233 20 0 GGADHL O=C(Nc1ncccc1[O-])c1cc(Br)c([O-])c(Br)c1 ZINC000159157518 565196194 /nfs/dbraw/zinc/19/61/94/565196194.db2.gz LUIMVQLLCGQECQ-UHFFFAOYSA-N -2 3 388.015 3.270 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)cs1 ZINC000185987160 565233585 /nfs/dbraw/zinc/23/35/85/565233585.db2.gz CKDQTBZEGJKJHO-LLVKDONJSA-N -2 3 379.381 3.071 20 0 GGADHL COC(=O)c1cccc2nc(NC(=O)c3ccc(Br)c([O-])c3)[n-]c21 ZINC000162512996 565319713 /nfs/dbraw/zinc/31/97/13/565319713.db2.gz RNMNIBQLIILEJX-UHFFFAOYSA-N -2 3 390.193 3.070 20 0 GGADHL COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Br)c([O-])c3)nc21 ZINC000162512996 565319717 /nfs/dbraw/zinc/31/97/17/565319717.db2.gz RNMNIBQLIILEJX-UHFFFAOYSA-N -2 3 390.193 3.070 20 0 GGADHL Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000188465164 565403486 /nfs/dbraw/zinc/40/34/86/565403486.db2.gz VXNKBNFPKRDYJD-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])c(C3CC3)n2)sc1Cl ZINC000276434347 565449766 /nfs/dbraw/zinc/44/97/66/565449766.db2.gz LFMBMASORVCLRA-UHFFFAOYSA-N -2 3 386.882 3.159 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c(F)c1 ZINC000189305345 565457493 /nfs/dbraw/zinc/45/74/93/565457493.db2.gz QPCPLMJBKGOUMN-UHFFFAOYSA-N -2 3 377.315 3.430 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)sc1Cl ZINC000388968421 565552168 /nfs/dbraw/zinc/55/21/68/565552168.db2.gz CJSSMTGTEXQQMH-LLVKDONJSA-N -2 3 380.274 3.468 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cc1C(=O)[O-] ZINC000389443069 565555130 /nfs/dbraw/zinc/55/51/30/565555130.db2.gz OJFDXNSFJBZMLU-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCC1 ZINC000391739627 565561299 /nfs/dbraw/zinc/56/12/99/565561299.db2.gz IQIZUZCIPRVCMX-UHFFFAOYSA-N -2 3 385.791 3.282 20 0 GGADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1C(=O)[O-] ZINC000392296608 565564420 /nfs/dbraw/zinc/56/44/20/565564420.db2.gz UEGWYUBRDMLWLJ-UHFFFAOYSA-N -2 3 395.767 3.020 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1F ZINC000392991407 565566677 /nfs/dbraw/zinc/56/66/77/565566677.db2.gz YFQZNMMJSMNHFD-UHFFFAOYSA-N -2 3 379.287 3.223 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)c1F ZINC000313223897 565584623 /nfs/dbraw/zinc/58/46/23/565584623.db2.gz TVQZPCMHLCEULK-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000317796006 565595112 /nfs/dbraw/zinc/59/51/12/565595112.db2.gz VRRZSDMEPWNICF-ZJUUUORDSA-N -2 3 396.278 3.146 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)CC(=O)[O-] ZINC000318182733 565595240 /nfs/dbraw/zinc/59/52/40/565595240.db2.gz FDUHDZCMPNPEGR-JTQLQIEISA-N -2 3 396.278 3.004 20 0 GGADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Br)cc1F)CCC(=O)[O-] ZINC000317789407 565595400 /nfs/dbraw/zinc/59/54/00/565595400.db2.gz UOBJFQLRXCOGNQ-UHFFFAOYSA-N -2 3 396.278 3.148 20 0 GGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000317796002 565595987 /nfs/dbraw/zinc/59/59/87/565595987.db2.gz VRRZSDMEPWNICF-VHSXEESVSA-N -2 3 396.278 3.146 20 0 GGADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000318744148 565596795 /nfs/dbraw/zinc/59/67/95/565596795.db2.gz NZCPZAGOZVRKTO-VIFPVBQESA-N -2 3 396.278 3.146 20 0 GGADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000318654181 565597335 /nfs/dbraw/zinc/59/73/35/565597335.db2.gz SZEMMUBQJOZNTA-SNVBAGLBSA-N -2 3 396.278 3.146 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c(Br)c1 ZINC000319771473 565599131 /nfs/dbraw/zinc/59/91/31/565599131.db2.gz YZYFRIJXRLEQOZ-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1F ZINC000319574517 565599813 /nfs/dbraw/zinc/59/98/13/565599813.db2.gz RJZFDQZISFUFMT-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000320132044 565601091 /nfs/dbraw/zinc/60/10/91/565601091.db2.gz JMZPRPOPVGQCJH-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL COc1ccc(C(=O)[O-])cc1NCc1cc(Br)c([O-])c(OC)c1 ZINC000320596674 565603213 /nfs/dbraw/zinc/60/32/13/565603213.db2.gz RPYMHPFTATYYPZ-UHFFFAOYSA-N -2 3 382.210 3.482 20 0 GGADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)cc1 ZINC000321957218 565607683 /nfs/dbraw/zinc/60/76/83/565607683.db2.gz FDFWZMJSQQUQGM-UHFFFAOYSA-N -2 3 398.234 3.151 20 0 GGADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])c1Cl ZINC000323324085 565613134 /nfs/dbraw/zinc/61/31/34/565613134.db2.gz JXTGWPNFCUUAKS-QMMMGPOBSA-N -2 3 394.198 3.294 20 0 GGADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000323769937 565615390 /nfs/dbraw/zinc/61/53/90/565615390.db2.gz ZADCPRYPQYPEGL-SSDOTTSWSA-N -2 3 394.198 3.315 20 0 GGADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000325534253 565621107 /nfs/dbraw/zinc/62/11/07/565621107.db2.gz LQPHYWJJJBMZNP-UHFFFAOYSA-N -2 3 383.731 3.129 20 0 GGADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000325311323 565621344 /nfs/dbraw/zinc/62/13/44/565621344.db2.gz QCPBJARNTFWCQB-UHFFFAOYSA-N -2 3 383.731 3.129 20 0 GGADHL O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc(Br)cc(Cl)c1[O-] ZINC000174247114 565623994 /nfs/dbraw/zinc/62/39/94/565623994.db2.gz AQVGTFITRSZMFR-UHFFFAOYSA-N -2 3 394.616 3.241 20 0 GGADHL O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc(Br)cc(Cl)c1[O-] ZINC000174247114 565623999 /nfs/dbraw/zinc/62/39/99/565623999.db2.gz AQVGTFITRSZMFR-UHFFFAOYSA-N -2 3 394.616 3.241 20 0 GGADHL O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc(Br)cc(Cl)c1[O-] ZINC000174247114 565624001 /nfs/dbraw/zinc/62/40/01/565624001.db2.gz AQVGTFITRSZMFR-UHFFFAOYSA-N -2 3 394.616 3.241 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1Cl ZINC000326587053 565624934 /nfs/dbraw/zinc/62/49/34/565624934.db2.gz FMPPRVUIXDWEMP-UHFFFAOYSA-N -2 3 385.825 3.252 20 0 GGADHL Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000327412802 565630268 /nfs/dbraw/zinc/63/02/68/565630268.db2.gz HCNFNFOLFJFISY-SECBINFHSA-N -2 3 380.447 3.244 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1Cl ZINC000328100939 565634436 /nfs/dbraw/zinc/63/44/36/565634436.db2.gz WOVXBZHDNZGDGD-UHFFFAOYSA-N -2 3 377.809 3.025 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1Br ZINC000174670730 565651013 /nfs/dbraw/zinc/65/10/13/565651013.db2.gz TUXKWSMMBOBBCS-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1c(Br)ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1F ZINC000193468636 565754409 /nfs/dbraw/zinc/75/44/09/565754409.db2.gz JZOWBXLEDYYUNC-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([N-]c1nncs1)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC000176268331 565762069 /nfs/dbraw/zinc/76/20/69/565762069.db2.gz RXGGVGKVKZOXDP-UHFFFAOYSA-N -2 3 389.746 3.354 20 0 GGADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000282106599 565764593 /nfs/dbraw/zinc/76/45/93/565764593.db2.gz YLIQYSGERQOBRS-QMMMGPOBSA-N -2 3 384.679 3.024 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)cc1F ZINC000414335442 565912262 /nfs/dbraw/zinc/91/22/62/565912262.db2.gz VCPJFKHFPSLKFV-ZANVPECISA-N -2 3 383.363 3.313 20 0 GGADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235083217 565935250 /nfs/dbraw/zinc/93/52/50/565935250.db2.gz BMPZTWHTYULUKC-QMMMGPOBSA-N -2 3 384.679 3.024 20 0 GGADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCCC1 ZINC000236424817 565938185 /nfs/dbraw/zinc/93/81/85/565938185.db2.gz FHILDGYVSVOULZ-UHFFFAOYSA-N -2 3 396.690 3.026 20 0 GGADHL CCCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000262483848 566153262 /nfs/dbraw/zinc/15/32/62/566153262.db2.gz STWDGIMRUGPNDD-VIFPVBQESA-N -2 3 384.679 3.024 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3ccc(C(=O)[O-])cc3)s2)cs1 ZINC000534785027 566254793 /nfs/dbraw/zinc/25/47/93/566254793.db2.gz SDKXWSNKYRQISL-UHFFFAOYSA-N -2 3 394.499 3.357 20 0 GGADHL O=C([O-])[C@H](Cc1ccc(Cl)c(Cl)c1)[N-]S(=O)(=O)c1ccccc1F ZINC000555955116 566264129 /nfs/dbraw/zinc/26/41/29/566264129.db2.gz PNSJEXYKWJPKEV-ZDUSSCGKSA-N -2 3 392.235 3.107 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C1CCCCC1 ZINC000575294675 566264683 /nfs/dbraw/zinc/26/46/83/566264683.db2.gz VTYLTBSALCOQDL-ZDUSSCGKSA-N -2 3 375.874 3.051 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445447181 566289815 /nfs/dbraw/zinc/28/98/15/566289815.db2.gz GXLHYVRIMNAABI-MRVPVSSYSA-N -2 3 385.854 3.197 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1F ZINC000509388931 566298780 /nfs/dbraw/zinc/29/87/80/566298780.db2.gz SCYMVWMYMLOQPA-UHFFFAOYSA-N -2 3 375.324 3.235 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)[O-])c1Cl ZINC000535513334 566308036 /nfs/dbraw/zinc/30/80/36/566308036.db2.gz IYLRKCNOHBHGMI-CYBMUJFWSA-N -2 3 388.272 3.276 20 0 GGADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)C(F)(F)F ZINC000556773005 566330052 /nfs/dbraw/zinc/33/00/52/566330052.db2.gz SZGDXGUECGFCFP-SSDOTTSWSA-N -2 3 394.198 3.066 20 0 GGADHL CCCCCc1n[n-]c(=NC(=O)NCc2ccc([O-])c(Br)c2)s1 ZINC000482787797 566332845 /nfs/dbraw/zinc/33/28/45/566332845.db2.gz BDFMVQXWNQVAHU-UHFFFAOYSA-N -2 3 399.314 3.483 20 0 GGADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000421143851 566348183 /nfs/dbraw/zinc/34/81/83/566348183.db2.gz AUAJYVROXUISFZ-AWEZNQCLSA-N -2 3 389.539 3.365 20 0 GGADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000421143852 566348424 /nfs/dbraw/zinc/34/84/24/566348424.db2.gz AUAJYVROXUISFZ-CQSZACIVSA-N -2 3 389.539 3.365 20 0 GGADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000421166878 566353698 /nfs/dbraw/zinc/35/36/98/566353698.db2.gz RIQFLTQRFYSJSX-OCCSQVGLSA-N -2 3 375.512 3.055 20 0 GGADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000576522112 566353869 /nfs/dbraw/zinc/35/38/69/566353869.db2.gz FYUYBOCRCKSZSM-TZMCWYRMSA-N -2 3 383.363 3.156 20 0 GGADHL CCOc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc(Br)c1OC ZINC000670369924 566357801 /nfs/dbraw/zinc/35/78/01/566357801.db2.gz KRQIARLGMRSJLF-SNAWJCMRSA-N -2 3 395.209 3.221 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cc1 ZINC000447278011 566399103 /nfs/dbraw/zinc/39/91/03/566399103.db2.gz MHTYWQGIEZIHBD-UHFFFAOYSA-N -2 3 379.287 3.065 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Cl)c2OCC(F)F)c1 ZINC000577095041 566404496 /nfs/dbraw/zinc/40/44/96/566404496.db2.gz LNHCRCCUARNRNR-UHFFFAOYSA-N -2 3 393.795 3.499 20 0 GGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000577213585 566414684 /nfs/dbraw/zinc/41/46/84/566414684.db2.gz SNXDLIJEFOKIGU-NXEZZACHSA-N -2 3 399.843 3.499 20 0 GGADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000536990022 566416582 /nfs/dbraw/zinc/41/65/82/566416582.db2.gz ISFDTRZRRQMMSG-UHFFFAOYSA-N -2 3 391.779 3.055 20 0 GGADHL O=C(Nc1cc(Br)ccc1[O-])c1nc[n-]c1C(=O)c1ccccc1 ZINC000484195490 566419179 /nfs/dbraw/zinc/41/91/79/566419179.db2.gz BEJBSJPTQUPORC-UHFFFAOYSA-N -2 3 386.205 3.361 20 0 GGADHL O=C(Nc1cc(Br)ccc1[O-])c1[n-]cnc1C(=O)c1ccccc1 ZINC000484195490 566419183 /nfs/dbraw/zinc/41/91/83/566419183.db2.gz BEJBSJPTQUPORC-UHFFFAOYSA-N -2 3 386.205 3.361 20 0 GGADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000671645025 566433747 /nfs/dbraw/zinc/43/37/47/566433747.db2.gz GZZBHLHUHKZOKG-LLVKDONJSA-N -2 3 385.791 3.281 20 0 GGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c1 ZINC000671663234 566434755 /nfs/dbraw/zinc/43/47/55/566434755.db2.gz IXNFUMDSOBTMLX-UHFFFAOYSA-N -3 3 376.415 3.015 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(F)c1 ZINC000484547370 566435911 /nfs/dbraw/zinc/43/59/11/566435911.db2.gz SAWKHBGJBDOJSB-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(F)c1 ZINC000484575476 566436850 /nfs/dbraw/zinc/43/68/50/566436850.db2.gz QWNKJWRYSGVIQP-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000577456052 566437503 /nfs/dbraw/zinc/43/75/03/566437503.db2.gz AYGSRHSLIBXRAX-JTQLQIEISA-N -2 3 398.706 3.270 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1cccs1 ZINC000650238565 566440610 /nfs/dbraw/zinc/44/06/10/566440610.db2.gz IKXDZWZVRDBKAI-JTQLQIEISA-N -2 3 379.381 3.261 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCC[C@H](C(=O)[O-])C3)s2)cs1 ZINC000577607378 566449905 /nfs/dbraw/zinc/44/99/05/566449905.db2.gz MQSLKHHTPKWECP-WDEREUQCSA-N -2 3 386.520 3.102 20 0 GGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCC1 ZINC000650411223 566452643 /nfs/dbraw/zinc/45/26/43/566452643.db2.gz GCKIYSPVEIBHAK-UHFFFAOYSA-N -2 3 396.690 3.026 20 0 GGADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650413053 566452877 /nfs/dbraw/zinc/45/28/77/566452877.db2.gz CFQLLAXVWOAZIE-QMMMGPOBSA-N -2 3 389.779 3.018 20 0 GGADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650413052 566452989 /nfs/dbraw/zinc/45/29/89/566452989.db2.gz CFQLLAXVWOAZIE-MRVPVSSYSA-N -2 3 389.779 3.018 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1(c2ccccc2C)CCC1 ZINC000650439931 566454261 /nfs/dbraw/zinc/45/42/61/566454261.db2.gz YFEILWYGBIXNQP-UHFFFAOYSA-N -2 3 381.475 3.121 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]C2(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000650447283 566456139 /nfs/dbraw/zinc/45/61/39/566456139.db2.gz AQGRBBAPABGGLG-UHFFFAOYSA-N -2 3 391.392 3.433 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)cc1C(=O)[O-] ZINC000484809046 566456224 /nfs/dbraw/zinc/45/62/24/566456224.db2.gz NPYYEYDFGQCTON-JTQLQIEISA-N -2 3 381.837 3.471 20 0 GGADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000577720117 566460081 /nfs/dbraw/zinc/46/00/81/566460081.db2.gz FCECMSNZLIOJHI-JMCQJSRRSA-N -2 3 385.791 3.136 20 0 GGADHL O=C([O-])CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000484849336 566460124 /nfs/dbraw/zinc/46/01/24/566460124.db2.gz KPPHXQUPNDMHIX-HNNXBMFYSA-N -2 3 385.844 3.234 20 0 GGADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000485052875 566472484 /nfs/dbraw/zinc/47/24/84/566472484.db2.gz KECVVZGTJJRVQW-NSHDSACASA-N -2 3 396.278 3.146 20 0 GGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)c1ccccc1 ZINC000578745470 566550309 /nfs/dbraw/zinc/55/03/09/566550309.db2.gz WLZHKCOTGNCKMF-NSHDSACASA-N -2 3 377.340 3.258 20 0 GGADHL O=C([O-])COc1ccc(C=Cc2cc(=O)[n-]c(C3CC3)n2)cc1Br ZINC000486075131 566554474 /nfs/dbraw/zinc/55/44/74/566554474.db2.gz LSXUIWWSNOSKRK-ORCRQEGFSA-N -2 3 391.221 3.456 20 0 GGADHL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)CCC(F)(F)F ZINC000559684483 566566895 /nfs/dbraw/zinc/56/68/95/566566895.db2.gz YMIHWRVOJWSFRC-UHFFFAOYSA-N -2 3 390.177 3.150 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)c1 ZINC000539400663 566579720 /nfs/dbraw/zinc/57/97/20/566579720.db2.gz PZNNEHOYXOFYHP-UHFFFAOYSA-N -2 3 379.825 3.041 20 0 GGADHL COc1ccc(CNc2cc(C(=O)[O-])ccc2OC)c(Br)c1[O-] ZINC000559980699 566581632 /nfs/dbraw/zinc/58/16/32/566581632.db2.gz SMKBNLZNWSEYJK-UHFFFAOYSA-N -2 3 382.210 3.482 20 0 GGADHL O=c1[n-]c(-c2ccc(I)c([O-])c2)nc2ccc(F)cc12 ZINC000539532071 566587045 /nfs/dbraw/zinc/58/70/45/566587045.db2.gz AWTLUOCMXFSNMR-UHFFFAOYSA-N -2 3 382.132 3.452 20 0 GGADHL CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc3sc(C(=O)[O-])cc3c2)s1 ZINC000579232997 566591610 /nfs/dbraw/zinc/59/16/10/566591610.db2.gz OWEXYEPNYJDVKM-UHFFFAOYSA-N -2 3 397.503 3.053 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1cccs1 ZINC000579303539 566597042 /nfs/dbraw/zinc/59/70/42/566597042.db2.gz VPIVOBMOHSDXTR-NSHDSACASA-N -2 3 383.344 3.010 20 0 GGADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)Oc1ccccc1Cl ZINC000579588001 566622345 /nfs/dbraw/zinc/62/23/45/566622345.db2.gz QXXIYWSGHZLIRC-LLVKDONJSA-N -2 3 387.841 3.076 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC(C)(C)C2)c(Cl)c1Cl ZINC000560421388 566623659 /nfs/dbraw/zinc/62/36/59/566623659.db2.gz JWQMTPVGFCXFKJ-OAHLLOKOSA-N -2 3 396.292 3.314 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)cs1 ZINC000540040992 566624429 /nfs/dbraw/zinc/62/44/29/566624429.db2.gz BOCZVWMSWKVXBY-UHFFFAOYSA-N -2 3 398.206 3.288 20 0 GGADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000579662995 566629421 /nfs/dbraw/zinc/62/94/21/566629421.db2.gz YXMUVRCMUUTTLA-GFCCVEGCSA-N -2 3 388.898 3.241 20 0 GGADHL Cc1cc(Cl)ccc1OCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000560488668 566631529 /nfs/dbraw/zinc/63/15/29/566631529.db2.gz SYTFIZLYHWBRIS-UHFFFAOYSA-N -2 3 389.882 3.156 20 0 GGADHL O=C(CSc1n[n-]c(=Nc2ccccc2F)s1)Nc1ccccc1[O-] ZINC000514098720 566642758 /nfs/dbraw/zinc/64/27/58/566642758.db2.gz GFLCZFAOZSVEQP-UHFFFAOYSA-N -2 3 376.438 3.279 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCc2cc(Cl)ccc21 ZINC000629338211 566645655 /nfs/dbraw/zinc/64/56/55/566645655.db2.gz DBCSVJMFYKDLRM-LLVKDONJSA-N -2 3 387.866 3.074 20 0 GGADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000579922214 566651362 /nfs/dbraw/zinc/65/13/62/566651362.db2.gz CLTJVIRJLFYYIX-UWVGGRQHSA-N -2 3 396.328 3.213 20 0 GGADHL Cc1nc(C[N-]S(=O)(=O)c2c(C)sc3c2cccc3C)sc1C(=O)[O-] ZINC000579940410 566651887 /nfs/dbraw/zinc/65/18/87/566651887.db2.gz KIQQENGDVWDHNA-UHFFFAOYSA-N -2 3 396.515 3.460 20 0 GGADHL Cc1oc(C)c(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c1C(=O)[O-] ZINC000487421582 566671300 /nfs/dbraw/zinc/67/13/00/566671300.db2.gz RAWUMMLXZXAXPB-GHMZBOCLSA-N -2 3 383.388 3.242 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653494658 566672150 /nfs/dbraw/zinc/67/21/50/566672150.db2.gz JESQGWXNXOLBQU-KXUCPTDWSA-N -2 3 380.293 3.407 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653493529 566672577 /nfs/dbraw/zinc/67/25/77/566672577.db2.gz ZDQHEEZHMBQNFD-XHNCKOQMSA-N -2 3 385.429 3.181 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653493326 566672633 /nfs/dbraw/zinc/67/26/33/566672633.db2.gz SKCROFSFHWXSPN-DVVUODLYSA-N -2 3 380.293 3.407 20 0 GGADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1F ZINC000467949154 566677169 /nfs/dbraw/zinc/67/71/69/566677169.db2.gz ORCPWYNDKXYRFW-UHFFFAOYSA-N -2 3 377.752 3.126 20 0 GGADHL COc1ccccc1N=c1[n-]nc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)s1 ZINC000487721122 566688539 /nfs/dbraw/zinc/68/85/39/566688539.db2.gz OPCMSLDJMHHOOQ-JTQLQIEISA-N -2 3 375.479 3.370 20 0 GGADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1cc(=O)[n-]c(C2CC2)n1 ZINC000561270903 566691058 /nfs/dbraw/zinc/69/10/58/566691058.db2.gz XPKCRPHCARCVNJ-UHFFFAOYSA-N -2 3 384.617 3.433 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c2ccccc2)c1Cl ZINC000515230061 566699558 /nfs/dbraw/zinc/69/95/58/566699558.db2.gz MDQLJDDSTIDLEH-GFCCVEGCSA-N -2 3 388.272 3.449 20 0 GGADHL CC(C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000515565729 566720958 /nfs/dbraw/zinc/72/09/58/566720958.db2.gz UAPIVURNWKIHKT-UHFFFAOYSA-N -3 3 385.825 3.332 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])s1 ZINC000515575080 566722642 /nfs/dbraw/zinc/72/26/42/566722642.db2.gz ZJINQCYMUOPHMT-ZWNOBZJWSA-N -2 3 396.328 3.131 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1F ZINC000580807696 566724909 /nfs/dbraw/zinc/72/49/09/566724909.db2.gz ZSASWCLQERDKDY-SNVBAGLBSA-N -2 3 397.371 3.400 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1F ZINC000580807695 566725158 /nfs/dbraw/zinc/72/51/58/566725158.db2.gz ZSASWCLQERDKDY-JTQLQIEISA-N -2 3 397.371 3.400 20 0 GGADHL COc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)cc(Br)c1[O-] ZINC000426791548 566730268 /nfs/dbraw/zinc/73/02/68/566730268.db2.gz ISAFCXFELLZZGB-AWEZNQCLSA-N -2 3 384.201 3.218 20 0 GGADHL COc1cc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)cc(Br)c1[O-] ZINC000426794243 566730642 /nfs/dbraw/zinc/73/06/42/566730642.db2.gz QTXRFXNZUZZZIC-GFCCVEGCSA-N -2 3 384.226 3.370 20 0 GGADHL COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c(Br)c1[O-] ZINC000426799484 566731188 /nfs/dbraw/zinc/73/11/88/566731188.db2.gz LAXHKXRSFDFCOS-CQSZACIVSA-N -2 3 384.201 3.218 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)cc2OCC(F)F)c1 ZINC000561699501 566731306 /nfs/dbraw/zinc/73/13/06/566731306.db2.gz KLYOVGOXJZDCHH-UHFFFAOYSA-N -2 3 393.795 3.499 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1C(F)(F)F ZINC000677233245 566731497 /nfs/dbraw/zinc/73/14/97/566731497.db2.gz KEMZLMZZWRMRQZ-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccc(C(F)(F)F)cc1 ZINC000580890692 566732256 /nfs/dbraw/zinc/73/22/56/566732256.db2.gz OYCAOXQUJQVLKU-SECBINFHSA-N -2 3 377.340 3.079 20 0 GGADHL COc1cc(CN[C@@H](C)c2nc(C(=O)[O-])cs2)cc(Br)c1[O-] ZINC000630463561 566734921 /nfs/dbraw/zinc/73/49/21/566734921.db2.gz CJQREWWQPCWPQY-ZETCQYMHSA-N -2 3 387.255 3.169 20 0 GGADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000654780659 566753424 /nfs/dbraw/zinc/75/34/24/566753424.db2.gz ODWWVUJYFJFOEZ-VHSXEESVSA-N -2 3 385.429 3.469 20 0 GGADHL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)OC)c1 ZINC000469068097 566759367 /nfs/dbraw/zinc/75/93/67/566759367.db2.gz WLTVMQPDVUHFHD-UHFFFAOYSA-N -2 3 385.825 3.032 20 0 GGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)c1 ZINC000427242266 566759804 /nfs/dbraw/zinc/75/98/04/566759804.db2.gz MXINISVXKKDODI-NSHDSACASA-N -2 3 379.400 3.326 20 0 GGADHL Cc1oc(C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1C(=O)[O-] ZINC000541930778 566760537 /nfs/dbraw/zinc/76/05/37/566760537.db2.gz GSCNSHDLMSYCQO-UHFFFAOYSA-N -2 3 378.233 3.213 20 0 GGADHL Cc1oc(C[N-]S(=O)(=O)c2oc3ccc(Cl)cc3c2C)cc1C(=O)[O-] ZINC000541933966 566761368 /nfs/dbraw/zinc/76/13/68/566761368.db2.gz FJAHEZRHERJYPJ-UHFFFAOYSA-N -2 3 383.809 3.473 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1F ZINC000427301871 566764689 /nfs/dbraw/zinc/76/46/89/566764689.db2.gz YWARYBXBBMVJPH-UHFFFAOYSA-N -2 3 379.287 3.065 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1F ZINC000427352484 566769380 /nfs/dbraw/zinc/76/93/80/566769380.db2.gz PFGWCOHDZQRRJE-UHFFFAOYSA-N -2 3 377.315 3.430 20 0 GGADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CCSc2ccccc2)C(=O)[O-])c1 ZINC000516693308 566779188 /nfs/dbraw/zinc/77/91/88/566779188.db2.gz PLWBUBRDRNFQHS-OAHLLOKOSA-N -2 3 383.466 3.048 20 0 GGADHL COc1cc(CN[C@H](C)c2ncc(C(=O)[O-])s2)cc(Br)c1[O-] ZINC000581607886 566792639 /nfs/dbraw/zinc/79/26/39/566792639.db2.gz ARRDVXWOTZITSV-SSDOTTSWSA-N -2 3 387.255 3.169 20 0 GGADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C1 ZINC000562467166 566793418 /nfs/dbraw/zinc/79/34/18/566793418.db2.gz BXTWFJTZNDGLRD-OCCSQVGLSA-N -2 3 387.885 3.051 20 0 GGADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000517006966 566799313 /nfs/dbraw/zinc/79/93/13/566799313.db2.gz OBZZAUNYUKZLOQ-PWSUYJOCSA-N -2 3 383.363 3.156 20 0 GGADHL CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000517187318 566810047 /nfs/dbraw/zinc/81/00/47/566810047.db2.gz BEFHYVHXEYNTSH-UHFFFAOYSA-N -2 3 377.857 3.273 20 0 GGADHL CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000517187318 566810055 /nfs/dbraw/zinc/81/00/55/566810055.db2.gz BEFHYVHXEYNTSH-UHFFFAOYSA-N -2 3 377.857 3.273 20 0 GGADHL COc1cccc(N=c2[n-]nc(S[C@H](C)c3nc(C)cc(=O)[n-]3)s2)c1 ZINC000469806267 566815936 /nfs/dbraw/zinc/81/59/36/566815936.db2.gz DCEVRJBYTDOJFN-SNVBAGLBSA-N -2 3 375.479 3.370 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)c1ccccc1F ZINC000562817715 566824939 /nfs/dbraw/zinc/82/49/39/566824939.db2.gz QCOXHLMGKODMCC-NSHDSACASA-N -2 3 383.344 3.010 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)cs1 ZINC000562838479 566826658 /nfs/dbraw/zinc/82/66/58/566826658.db2.gz GNZAHUSOQCRLLR-NSHDSACASA-N -2 3 379.381 3.418 20 0 GGADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469902619 566826691 /nfs/dbraw/zinc/82/66/91/566826691.db2.gz ZBOALPDXCUQFFQ-UHFFFAOYSA-N -2 3 389.901 3.442 20 0 GGADHL CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000563073496 566851123 /nfs/dbraw/zinc/85/11/23/566851123.db2.gz YHJXZSFWGOGYCJ-CYBMUJFWSA-N -2 3 383.491 3.145 20 0 GGADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C)c1nccs1 ZINC000563072173 566851347 /nfs/dbraw/zinc/85/13/47/566851347.db2.gz LQJHOVZRXMKAIV-OAHLLOKOSA-N -2 3 388.898 3.407 20 0 GGADHL CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-])c1nc(C)cs1 ZINC000582358223 566855199 /nfs/dbraw/zinc/85/51/99/566855199.db2.gz MARFIKUZHMCCEC-HNNXBMFYSA-N -2 3 388.898 3.407 20 0 GGADHL C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655873790 566855753 /nfs/dbraw/zinc/85/57/53/566855753.db2.gz XSHKTHSIXFZKMZ-ZMLRMANQSA-N -2 3 399.285 3.089 20 0 GGADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000582531164 566872149 /nfs/dbraw/zinc/87/21/49/566872149.db2.gz WLAYHRBAYPOUBL-SECBINFHSA-N -2 3 384.679 3.024 20 0 GGADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000582590241 566876985 /nfs/dbraw/zinc/87/69/85/566876985.db2.gz HBJYPAFZSYIJQM-YPMHNXCESA-N -2 3 379.400 3.407 20 0 GGADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000582590239 566877710 /nfs/dbraw/zinc/87/77/10/566877710.db2.gz HBJYPAFZSYIJQM-DGCLKSJQSA-N -2 3 379.400 3.407 20 0 GGADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000582590238 566877757 /nfs/dbraw/zinc/87/77/57/566877757.db2.gz HBJYPAFZSYIJQM-AAEUAGOBSA-N -2 3 379.400 3.407 20 0 GGADHL Cc1ccc([C@H]([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])C(F)(F)F)o1 ZINC000656181343 566881484 /nfs/dbraw/zinc/88/14/84/566881484.db2.gz RMHHHCLFJXREQB-ZDUSSCGKSA-N -2 3 377.340 3.177 20 0 GGADHL O=C([O-])[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000563583229 566897967 /nfs/dbraw/zinc/89/79/67/566897967.db2.gz JHIMWVFSKVFPJR-CYBMUJFWSA-N -2 3 392.235 3.107 20 0 GGADHL C[C@H](c1ccccc1)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000656519120 566907757 /nfs/dbraw/zinc/90/77/57/566907757.db2.gz FRAARHNAOAKDME-NOZJJQNGSA-N -2 3 393.408 3.302 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C(C)(C)Cc1ccccc1C ZINC000518972160 566913167 /nfs/dbraw/zinc/91/31/67/566913167.db2.gz PIIZNRAAMSGIAR-UHFFFAOYSA-N -2 3 383.491 3.063 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc(C(=O)[O-])c1C ZINC000471125552 566930767 /nfs/dbraw/zinc/93/07/67/566930767.db2.gz STGMYJHRZRZZES-UHFFFAOYSA-N -3 3 383.809 3.154 20 0 GGADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)CC(=O)[O-] ZINC000519575131 566948180 /nfs/dbraw/zinc/94/81/80/566948180.db2.gz KHUFHORNCLRBRA-VIFPVBQESA-N -2 3 396.278 3.004 20 0 GGADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)CC(=O)[O-] ZINC000519575125 566948575 /nfs/dbraw/zinc/94/85/75/566948575.db2.gz KHUFHORNCLRBRA-SECBINFHSA-N -2 3 396.278 3.004 20 0 GGADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000583785067 566983665 /nfs/dbraw/zinc/98/36/65/566983665.db2.gz KPLPHGHPXPYDPU-LLVKDONJSA-N -2 3 381.759 3.177 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC000681559753 566985391 /nfs/dbraw/zinc/98/53/91/566985391.db2.gz QWZCFIVYBGPQSQ-HNNXBMFYSA-N -2 3 383.853 3.151 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(F)ccc2F)c(Cl)cc1F ZINC000681567156 566986431 /nfs/dbraw/zinc/98/64/31/566986431.db2.gz KGZWUOGIWWPXPR-AWEZNQCLSA-N -2 3 393.770 3.170 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCCC2)c1 ZINC000583826899 566987075 /nfs/dbraw/zinc/98/70/75/566987075.db2.gz GAFYQPPZJUNJNW-UHFFFAOYSA-N -2 3 383.466 3.376 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3sc(Cl)cc32)c(F)c1 ZINC000564553593 566987283 /nfs/dbraw/zinc/98/72/83/566987283.db2.gz YUAKPNZBGRKYIJ-JTQLQIEISA-N -2 3 375.830 3.205 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)c1cc(F)ccc1F ZINC000681568253 566987266 /nfs/dbraw/zinc/98/72/66/566987266.db2.gz SJLBXTYXWSAESB-ZDUSSCGKSA-N -2 3 396.198 3.376 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)c(F)c1 ZINC000564553596 566987653 /nfs/dbraw/zinc/98/76/53/566987653.db2.gz YUAKPNZBGRKYIJ-SNVBAGLBSA-N -2 3 375.830 3.205 20 0 GGADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000681573335 566987870 /nfs/dbraw/zinc/98/78/70/566987870.db2.gz TXRJREFIZIMNSK-QMMMGPOBSA-N -2 3 387.788 3.239 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccccc1Cl)c1ccc(F)cc1F ZINC000681576184 566988176 /nfs/dbraw/zinc/98/81/76/566988176.db2.gz XOGGOMZBUILROD-CYBMUJFWSA-N -2 3 375.780 3.113 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(F)cc1F ZINC000681576293 566988610 /nfs/dbraw/zinc/98/86/10/566988610.db2.gz ZXQLUFLJXBZRSM-LBPRGKRZSA-N -2 3 393.770 3.252 20 0 GGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000681577115 566989866 /nfs/dbraw/zinc/98/98/66/566989866.db2.gz LQOULRFDCQPWMJ-LBPRGKRZSA-N -2 3 388.272 3.215 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(F)(F)F)cs1 ZINC000520298213 566995818 /nfs/dbraw/zinc/99/58/18/566995818.db2.gz RHBPOQUKOHVBKA-NSHDSACASA-N -2 3 393.408 3.146 20 0 GGADHL COc1ccc(CN=c2[n-]nc(Cc3ccsc3)o2)c(Br)c1[O-] ZINC000544875498 567003908 /nfs/dbraw/zinc/00/39/08/567003908.db2.gz GJXYNMITEQOUQF-UHFFFAOYSA-N -2 3 396.266 3.233 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccccc2OC2CCCC2)c1 ZINC000544939404 567008933 /nfs/dbraw/zinc/00/89/33/567008933.db2.gz PABXHDYTFRUZQG-UHFFFAOYSA-N -2 3 381.475 3.246 20 0 GGADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000430382596 567013931 /nfs/dbraw/zinc/01/39/31/567013931.db2.gz YDMGQUPYNHQENO-JTQLQIEISA-N -2 3 384.679 3.024 20 0 GGADHL COc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)c(Br)c1[O-] ZINC000584113797 567014174 /nfs/dbraw/zinc/01/41/74/567014174.db2.gz IQXWOLDFUORCIC-ZETCQYMHSA-N -2 3 387.255 3.169 20 0 GGADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC000564851500 567015003 /nfs/dbraw/zinc/01/50/03/567015003.db2.gz JEZWANOERFVMRH-MWLCHTKSSA-N -2 3 388.536 3.348 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CC(C)(C)c2ccccc21 ZINC000584170496 567019018 /nfs/dbraw/zinc/01/90/18/567019018.db2.gz USKIGFAZJJUVID-GFCCVEGCSA-N -2 3 381.475 3.156 20 0 GGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C2CC2)n1 ZINC000564919839 567020788 /nfs/dbraw/zinc/02/07/88/567020788.db2.gz HCLNXOBFQXJHRB-CYBMUJFWSA-N -2 3 386.882 3.233 20 0 GGADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC)C(=O)[O-] ZINC000584270795 567027905 /nfs/dbraw/zinc/02/79/05/567027905.db2.gz CWHJNNCDDFBSFX-GFCCVEGCSA-N -2 3 377.890 3.298 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)CC(=O)[O-] ZINC000682536335 567056294 /nfs/dbraw/zinc/05/62/94/567056294.db2.gz LUYFBFWROUHAPZ-UHFFFAOYSA-N -2 3 389.901 3.298 20 0 GGADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)s1 ZINC000584695625 567061512 /nfs/dbraw/zinc/06/15/12/567061512.db2.gz UOWVHDDKHBDQTK-NSHDSACASA-N -2 3 395.289 3.171 20 0 GGADHL CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)C1 ZINC000545557903 567063040 /nfs/dbraw/zinc/06/30/40/567063040.db2.gz MKTRPWNZXMRIAS-NEPJUHHUSA-N -2 3 375.487 3.175 20 0 GGADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c[n-]1 ZINC000585730264 567084487 /nfs/dbraw/zinc/08/44/87/567084487.db2.gz GTSYTGRDEPVQCL-UHFFFAOYSA-N -2 3 397.762 3.059 20 0 GGADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)[n-]1 ZINC000585730264 567084494 /nfs/dbraw/zinc/08/44/94/567084494.db2.gz GTSYTGRDEPVQCL-UHFFFAOYSA-N -2 3 397.762 3.059 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)cc1Cl ZINC000521947199 567088733 /nfs/dbraw/zinc/08/87/33/567088733.db2.gz AXMICZIIGDMFKH-UHFFFAOYSA-N -2 3 375.780 3.109 20 0 GGADHL CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)o1 ZINC000565955273 567114864 /nfs/dbraw/zinc/11/48/64/567114864.db2.gz XCUUAZIHNRGJGH-UHFFFAOYSA-N -2 3 386.857 3.074 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CC2)c(F)c1 ZINC000546253784 567116871 /nfs/dbraw/zinc/11/68/71/567116871.db2.gz JRCMEQVKYRCTFX-UHFFFAOYSA-N -2 3 381.450 3.127 20 0 GGADHL CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000546265528 567119536 /nfs/dbraw/zinc/11/95/36/567119536.db2.gz GYFHDRONHNCPHD-QWHCGFSZSA-N -2 3 375.487 3.175 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cc1C(=O)[O-] ZINC000432072341 567128930 /nfs/dbraw/zinc/12/89/30/567128930.db2.gz RDUVVRDIRCDWGA-UHFFFAOYSA-N -2 3 379.821 3.276 20 0 GGADHL Cc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)sc1C ZINC000566317513 567148985 /nfs/dbraw/zinc/14/89/85/567148985.db2.gz RJWSAAKIPOZCFK-UHFFFAOYSA-N -2 3 388.536 3.296 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(OC)c2)cc1Cl ZINC000432760814 567186805 /nfs/dbraw/zinc/18/68/05/567186805.db2.gz PJDQLJQTCGCDEU-UHFFFAOYSA-N -2 3 385.825 3.165 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]C[C@H](Cc2cccc(Cl)c2)C(=O)[O-])c1F ZINC000547558184 567220114 /nfs/dbraw/zinc/22/01/14/567220114.db2.gz SSWIKFMCWVCSFC-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])c(C)n2)c1Cl ZINC000547566500 567221799 /nfs/dbraw/zinc/22/17/99/567221799.db2.gz WXLGNIMAHNUXDU-UHFFFAOYSA-N -2 3 389.260 3.182 20 0 GGADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Br ZINC000547563060 567222120 /nfs/dbraw/zinc/22/21/20/567222120.db2.gz NIKYKNBDOLIDSG-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000547568321 567223031 /nfs/dbraw/zinc/22/30/31/567223031.db2.gz HBGUXLMSFZLZBE-CQSZACIVSA-N -2 3 392.235 3.107 20 0 GGADHL Cc1cc([C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C(=O)[O-])ccc1Cl ZINC000547572284 567223409 /nfs/dbraw/zinc/22/34/09/567223409.db2.gz QNJUJEBCFYACGP-CQSZACIVSA-N -2 3 393.770 3.170 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])s1 ZINC000547576485 567224539 /nfs/dbraw/zinc/22/45/39/567224539.db2.gz LOCZBTWSQBBINB-QMMMGPOBSA-N -2 3 384.317 3.131 20 0 GGADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCCC1 ZINC000547575582 567224569 /nfs/dbraw/zinc/22/45/69/567224569.db2.gz DEPGVOLESSXEHS-UHFFFAOYSA-N -2 3 396.690 3.026 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)s1 ZINC000547573002 567224942 /nfs/dbraw/zinc/22/49/42/567224942.db2.gz UCGHNHXBGQXPAF-JTQLQIEISA-N -2 3 398.344 3.234 20 0 GGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000684655793 567225500 /nfs/dbraw/zinc/22/55/00/567225500.db2.gz UIYBMSFNDSIIJI-VIFPVBQESA-N -2 3 398.706 3.414 20 0 GGADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547581293 567226239 /nfs/dbraw/zinc/22/62/39/567226239.db2.gz NODOYGFOCZMKIB-SNVBAGLBSA-N -2 3 396.278 3.146 20 0 GGADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1F ZINC000547585792 567226821 /nfs/dbraw/zinc/22/68/21/567226821.db2.gz DDWIBMZHYWSDHI-AWEZNQCLSA-N -2 3 389.807 3.421 20 0 GGADHL O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)[N-]S(=O)(=O)c1ccccc1F ZINC000547615976 567231005 /nfs/dbraw/zinc/23/10/05/567231005.db2.gz QYMZKXNGWYCPMI-CYBMUJFWSA-N -2 3 392.235 3.107 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(F)cc1F ZINC000547614729 567231519 /nfs/dbraw/zinc/23/15/19/567231519.db2.gz KGOJJKFZJAJULM-CQSZACIVSA-N -2 3 393.770 3.170 20 0 GGADHL O=C([O-])[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000547612914 567231598 /nfs/dbraw/zinc/23/15/98/567231598.db2.gz SLDVZNUSFXPIET-JTQLQIEISA-N -2 3 380.274 3.029 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1c(Cl)cccc1Cl ZINC000547616220 567231881 /nfs/dbraw/zinc/23/18/81/567231881.db2.gz XGWWAQILPGEDJK-ZDUSSCGKSA-N -2 3 396.198 3.376 20 0 GGADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000547617855 567232969 /nfs/dbraw/zinc/23/29/69/567232969.db2.gz PGRXNHNFAAMTSU-CYBMUJFWSA-N -2 3 375.780 3.031 20 0 GGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547616912 567233825 /nfs/dbraw/zinc/23/38/25/567233825.db2.gz FDDHYOXHHHPZCR-NXEZZACHSA-N -2 3 396.278 3.146 20 0 GGADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-])C1CC1 ZINC000567293425 567234731 /nfs/dbraw/zinc/23/47/31/567234731.db2.gz DTZXFRNWVHNKFQ-JMCQJSRRSA-N -2 3 385.791 3.136 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000547638707 567234637 /nfs/dbraw/zinc/23/46/37/567234637.db2.gz GAZZCECVABQRQG-INIZCTEOSA-N -2 3 383.853 3.070 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)c1Cl ZINC000547870234 567252534 /nfs/dbraw/zinc/25/25/34/567252534.db2.gz KBYDLSRDJBKTFE-LLVKDONJSA-N -2 3 380.274 3.468 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](Cc2cccc(Cl)c2)C(=O)[O-])c(F)c1 ZINC000547878300 567253403 /nfs/dbraw/zinc/25/34/03/567253403.db2.gz GWPFCVDBNGXNSR-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000547873480 567253652 /nfs/dbraw/zinc/25/36/52/567253652.db2.gz ZFURNRPATWGVDZ-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])c(F)c1 ZINC000547878298 567254300 /nfs/dbraw/zinc/25/43/00/567254300.db2.gz GWPFCVDBNGXNSR-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c3ccccc3)s2)cs1 ZINC000547881635 567255621 /nfs/dbraw/zinc/25/56/21/567255621.db2.gz MXUHACLSKCAHQM-HNNXBMFYSA-N -2 3 394.499 3.284 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)cc1Cl ZINC000547887093 567255908 /nfs/dbraw/zinc/25/59/08/567255908.db2.gz NQARXNYBFNOZKJ-VIFPVBQESA-N -2 3 398.308 3.417 20 0 GGADHL Cc1nc(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)sc1C(=O)[O-] ZINC000547878493 567255927 /nfs/dbraw/zinc/25/59/27/567255927.db2.gz NWUUHUDPVCCOCW-UHFFFAOYSA-N -2 3 396.877 3.435 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])cc1Cl ZINC000547892073 567256571 /nfs/dbraw/zinc/25/65/71/567256571.db2.gz VYWUGRTZNIOUQL-HIFRSBDPSA-N -2 3 396.292 3.314 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])cc1Cl ZINC000547892074 567256700 /nfs/dbraw/zinc/25/67/00/567256700.db2.gz VYWUGRTZNIOUQL-UKRRQHHQSA-N -2 3 396.292 3.314 20 0 GGADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000547887886 567257111 /nfs/dbraw/zinc/25/71/11/567257111.db2.gz CRVIDGRMMLURKV-JSGCOSHPSA-N -2 3 383.363 3.156 20 0 GGADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1Cl ZINC000433529093 567257353 /nfs/dbraw/zinc/25/73/53/567257353.db2.gz HLTFNLQIHWRFRY-UHFFFAOYSA-N -3 3 385.825 3.333 20 0 GGADHL CCCSC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000547908982 567260518 /nfs/dbraw/zinc/26/05/18/567260518.db2.gz YZLBJJGDILTNOD-SNVBAGLBSA-N -2 3 386.322 3.177 20 0 GGADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1csc2ccc(Cl)cc21)C(F)F ZINC000685209782 567261293 /nfs/dbraw/zinc/26/12/93/567261293.db2.gz CKGQCFJFANIDBV-ZETCQYMHSA-N -2 3 383.825 3.189 20 0 GGADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)c1Cl ZINC000685209803 567261586 /nfs/dbraw/zinc/26/15/86/567261586.db2.gz HBTLNNWZOXJSQL-MRVPVSSYSA-N -2 3 390.235 3.245 20 0 GGADHL C[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCCC[C@H]1C(=O)[O-] ZINC000567609708 567261514 /nfs/dbraw/zinc/26/15/14/567261514.db2.gz XJXDXVUFVFZHHC-BONVTDFDSA-N -2 3 397.827 3.253 20 0 GGADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000547931541 567265318 /nfs/dbraw/zinc/26/53/18/567265318.db2.gz CYEADYUPJGXRFQ-CABZTGNLSA-N -2 3 396.278 3.146 20 0 GGADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)o1 ZINC000547935272 567267243 /nfs/dbraw/zinc/26/72/43/567267243.db2.gz YMVNTTDVTVDZBL-UHFFFAOYSA-N -2 3 383.731 3.129 20 0 GGADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000567693068 567269148 /nfs/dbraw/zinc/26/91/48/567269148.db2.gz JTODUGMLHYXSRT-KCJUWKMLSA-N -2 3 398.706 3.126 20 0 GGADHL COc1cc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F)ccc1C(=O)[O-] ZINC000567793701 567278250 /nfs/dbraw/zinc/27/82/50/567278250.db2.gz BRKQCDQAKZJPIR-GFCCVEGCSA-N -2 3 383.388 3.039 20 0 GGADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000567810372 567279861 /nfs/dbraw/zinc/27/98/61/567279861.db2.gz VQAAHXDRGWWMIA-UHFFFAOYSA-N -2 3 388.536 3.492 20 0 GGADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2c(C)sc3c2cccc3C)c[n-]1 ZINC000591497721 567285003 /nfs/dbraw/zinc/28/50/03/567285003.db2.gz QWUKUZCOBGMYHA-UHFFFAOYSA-N -2 3 379.463 3.219 20 0 GGADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2c(C)sc3c2cccc3C)[n-]1 ZINC000591497721 567285005 /nfs/dbraw/zinc/28/50/05/567285005.db2.gz QWUKUZCOBGMYHA-UHFFFAOYSA-N -2 3 379.463 3.219 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)c(Cl)c1Cl ZINC000548199322 567288293 /nfs/dbraw/zinc/28/82/93/567288293.db2.gz QZGZLBUNYNFVKC-GFCCVEGCSA-N -2 3 396.273 3.168 20 0 GGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1cccc(Cl)c1 ZINC000548208200 567290049 /nfs/dbraw/zinc/29/00/49/567290049.db2.gz ZDMOIKQDMRWXKE-JTQLQIEISA-N -2 3 394.301 3.277 20 0 GGADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000548213013 567291489 /nfs/dbraw/zinc/29/14/89/567291489.db2.gz KABDEYQHHOBRGR-CYBMUJFWSA-N -2 3 392.235 3.107 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1Cl ZINC000591683825 567292211 /nfs/dbraw/zinc/29/22/11/567292211.db2.gz WUPBAWPOWJRLPG-UHFFFAOYSA-N -2 3 395.742 3.022 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccc(Cl)c(F)c1 ZINC000548236902 567295728 /nfs/dbraw/zinc/29/57/28/567295728.db2.gz DCUDLWLFXXJJOS-CYBMUJFWSA-N -2 3 396.198 3.376 20 0 GGADHL CSc1c(F)cccc1[N-]C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000617275750 567296268 /nfs/dbraw/zinc/29/62/68/567296268.db2.gz IZYKKRYPWXAYPA-UHFFFAOYSA-N -2 3 386.470 3.470 20 0 GGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)C2CC2)n1 ZINC000568007460 567296787 /nfs/dbraw/zinc/29/67/87/567296787.db2.gz MUQHFXOGVADOSA-CQSZACIVSA-N -2 3 384.454 3.027 20 0 GGADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000526950825 567299950 /nfs/dbraw/zinc/29/99/50/567299950.db2.gz PRZSYMRFGNHUHO-UHFFFAOYSA-N -2 3 383.731 3.129 20 0 GGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000548262176 567300778 /nfs/dbraw/zinc/30/07/78/567300778.db2.gz HOTLPEKJIOEJMK-ZJUUUORDSA-N -2 3 396.278 3.146 20 0 GGADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000548265404 567300902 /nfs/dbraw/zinc/30/09/02/567300902.db2.gz AUTVNUDYYYJGEC-CABZTGNLSA-N -2 3 396.278 3.146 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CCSc2ccccc2)C(=O)[O-])c(F)c1 ZINC000685898448 567307286 /nfs/dbraw/zinc/30/72/86/567307286.db2.gz BOTGKAMZMDRFCS-HNNXBMFYSA-N -2 3 383.466 3.048 20 0 GGADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000476264269 567308922 /nfs/dbraw/zinc/30/89/22/567308922.db2.gz MGTSMLDWNVVABV-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000500319744 567313647 /nfs/dbraw/zinc/31/36/47/567313647.db2.gz BKDDUPDHGOPBJJ-UHFFFAOYSA-N -2 3 383.853 3.475 20 0 GGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000548521807 567321980 /nfs/dbraw/zinc/32/19/80/567321980.db2.gz SWKYYYJMBKVITE-UHFFFAOYSA-N -2 3 377.315 3.485 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)sc1Br ZINC000548529553 567322775 /nfs/dbraw/zinc/32/27/75/567322775.db2.gz JWWCKBSEOPMZGI-SECBINFHSA-N -2 3 398.344 3.234 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1F ZINC000476426268 567322671 /nfs/dbraw/zinc/32/26/71/567322671.db2.gz FNUMDKJPVGJOFO-UHFFFAOYSA-N -2 3 395.742 3.022 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1F ZINC000548527459 567323295 /nfs/dbraw/zinc/32/32/95/567323295.db2.gz GPUSRZKUUAXHHR-ZDUSSCGKSA-N -2 3 378.208 3.237 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)ccc1F ZINC000476423251 567323322 /nfs/dbraw/zinc/32/33/22/567323322.db2.gz MUAOGOMQQZSESK-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CCc1nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1C(=O)[O-] ZINC000548540273 567324665 /nfs/dbraw/zinc/32/46/65/567324665.db2.gz GUXKPPIRLOHSQS-UHFFFAOYSA-N -2 3 389.260 3.128 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)s1 ZINC000548544819 567325559 /nfs/dbraw/zinc/32/55/59/567325559.db2.gz XLDBFHQVTFSGMV-SECBINFHSA-N -2 3 398.344 3.234 20 0 GGADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000548541611 567325619 /nfs/dbraw/zinc/32/56/19/567325619.db2.gz ZGBMUJOHBYBART-CQSZACIVSA-N -2 3 392.235 3.107 20 0 GGADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC000476485661 567327349 /nfs/dbraw/zinc/32/73/49/567327349.db2.gz QLMWSGAZPGFJAJ-UHFFFAOYSA-N -2 3 383.809 3.050 20 0 GGADHL Cc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000548553996 567328387 /nfs/dbraw/zinc/32/83/87/567328387.db2.gz JAXQSTDLBZIHPO-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)CC(=O)[O-] ZINC000548556109 567328575 /nfs/dbraw/zinc/32/85/75/567328575.db2.gz LFYFBEKOUNSLNX-JTQLQIEISA-N -2 3 396.278 3.004 20 0 GGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000548551424 567328637 /nfs/dbraw/zinc/32/86/37/567328637.db2.gz JOITZQCIJLTONV-VIFPVBQESA-N -2 3 398.706 3.414 20 0 GGADHL Cc1ccc(C[C@@H](C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)C(=O)[O-])cc1 ZINC000548557122 567328782 /nfs/dbraw/zinc/32/87/82/567328782.db2.gz UGRLHJFGXKQLCF-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000527301315 567329079 /nfs/dbraw/zinc/32/90/79/567329079.db2.gz GGMGTWUFQJEGMU-LLVKDONJSA-N -2 3 375.874 3.051 20 0 GGADHL CC(C)(CC[N-]S(=O)(=O)c1cc(Br)ccc1F)CCC(=O)[O-] ZINC000548587802 567332982 /nfs/dbraw/zinc/33/29/82/567332982.db2.gz ALCIUJIPGMTLLP-UHFFFAOYSA-N -2 3 396.278 3.148 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)Cc1ccccc1F)c1c(Cl)cccc1Cl ZINC000548588526 567334353 /nfs/dbraw/zinc/33/43/53/567334353.db2.gz PJAFMEIPFPSBAS-CQSZACIVSA-N -2 3 392.235 3.378 20 0 GGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000548593875 567334755 /nfs/dbraw/zinc/33/47/55/567334755.db2.gz VFBPPPPAJAXWJZ-UWVGGRQHSA-N -2 3 385.379 3.402 20 0 GGADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000548588189 567334824 /nfs/dbraw/zinc/33/48/24/567334824.db2.gz KIDVEAKUQWBKPJ-RKDXNWHRSA-N -2 3 384.317 3.068 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)Cc1ccccc1F)c1c(Cl)cccc1Cl ZINC000548588525 567335009 /nfs/dbraw/zinc/33/50/09/567335009.db2.gz PJAFMEIPFPSBAS-AWEZNQCLSA-N -2 3 392.235 3.378 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1cccc(Cl)c1 ZINC000548591446 567335105 /nfs/dbraw/zinc/33/51/05/567335105.db2.gz JQKONPSNGGBIQT-ZDUSSCGKSA-N -2 3 378.208 3.237 20 0 GGADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000527490862 567339243 /nfs/dbraw/zinc/33/92/43/567339243.db2.gz NLSVHTSREKNXJA-UHFFFAOYSA-N -2 3 383.731 3.129 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC[C@@H](C)C2)s1 ZINC000548770418 567349893 /nfs/dbraw/zinc/34/98/93/567349893.db2.gz AUCLCIWBHVNQCR-AMIZOPFISA-N -2 3 396.328 3.131 20 0 GGADHL COc1ccccc1-c1cc(=NC(=O)c2cccc(Br)c2[O-])[nH][n-]1 ZINC000592862638 567369845 /nfs/dbraw/zinc/36/98/45/567369845.db2.gz RUUYUQALYCQCNX-UHFFFAOYSA-N -2 3 388.221 3.228 20 0 GGADHL O=C([N-]c1n[n-]c(-c2c(F)cccc2F)n1)c1ncsc1C(F)(F)F ZINC000549274014 567384161 /nfs/dbraw/zinc/38/41/61/567384161.db2.gz JVYJCOLDPFUQMD-UHFFFAOYSA-N -2 3 375.282 3.478 20 0 GGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000435876076 567393055 /nfs/dbraw/zinc/39/30/55/567393055.db2.gz GXHJHNMXMMMPPA-GXTWGEPZSA-N -2 3 383.828 3.320 20 0 GGADHL O=C([N-]c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)c1ccc(Cl)o1 ZINC000477461833 567396810 /nfs/dbraw/zinc/39/68/10/567396810.db2.gz PTAZZDQCDVTGAU-UHFFFAOYSA-N -2 3 393.223 3.419 20 0 GGADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c[n-]1 ZINC000618906640 567423148 /nfs/dbraw/zinc/42/31/48/567423148.db2.gz RRBAQYICTALFIE-UHFFFAOYSA-N -2 3 398.655 3.347 20 0 GGADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000436664042 567442388 /nfs/dbraw/zinc/44/23/88/567442388.db2.gz KOMAIGPNGLNJEQ-UHFFFAOYSA-N -2 3 376.217 3.286 20 0 GGADHL COc1ccc2nc(-c3ccc([O-])c(I)c3)[n-]c(=O)c2c1 ZINC000436752348 567449537 /nfs/dbraw/zinc/44/95/37/567449537.db2.gz RFJUZAQQUZBJGX-UHFFFAOYSA-N -2 3 394.168 3.321 20 0 GGADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3s2)ccc1[O-] ZINC000436743904 567449679 /nfs/dbraw/zinc/44/96/79/567449679.db2.gz ICMUUNDYJSZVKD-UHFFFAOYSA-N -2 3 398.849 3.243 20 0 GGADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc([O-])c1Br ZINC000641693129 567450387 /nfs/dbraw/zinc/45/03/87/567450387.db2.gz UNYXSRGCXAFYEH-UHFFFAOYSA-N -2 3 388.287 3.350 20 0 GGADHL CCCCn1cc(S(=O)(=O)[N-]c2cccc([O-])c2Br)c(C)n1 ZINC000641687392 567450948 /nfs/dbraw/zinc/45/09/48/567450948.db2.gz AMOKYZXXGSTRKN-UHFFFAOYSA-N -2 3 388.287 3.261 20 0 GGADHL CCSCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000436930331 567467155 /nfs/dbraw/zinc/46/71/55/567467155.db2.gz WYXOGGWIGPGXPH-UHFFFAOYSA-N -2 3 381.475 3.453 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1F ZINC000642092478 567467622 /nfs/dbraw/zinc/46/76/22/567467622.db2.gz RGIYNGOIZNAUOW-AWEZNQCLSA-N -2 3 375.780 3.113 20 0 GGADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000570232137 567469297 /nfs/dbraw/zinc/46/92/97/567469297.db2.gz VFNWNMXLLMQBRG-NSHDSACASA-N -2 3 398.706 3.270 20 0 GGADHL Cc1ccc(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2[O-])c([O-])c1 ZINC000436982654 567472422 /nfs/dbraw/zinc/47/24/22/567472422.db2.gz YCYXCPJOCGNWQO-UHFFFAOYSA-N -2 3 383.231 3.472 20 0 GGADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(F)(F)F ZINC000663293775 567491729 /nfs/dbraw/zinc/49/17/29/567491729.db2.gz LZARGKMAPBNONK-LURJTMIESA-N -2 3 399.334 3.089 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]CCCCOc2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000663420666 567505503 /nfs/dbraw/zinc/50/55/03/567505503.db2.gz HMVPSVVTGRNHFA-UHFFFAOYSA-N -2 3 387.841 3.077 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc(C(F)(F)F)c2)oc1C(=O)[O-] ZINC000663420573 567505528 /nfs/dbraw/zinc/50/55/28/567505528.db2.gz SEFYIZZCKJRNNS-SECBINFHSA-N -2 3 377.340 3.345 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(Cl)ccc32)oc1C(=O)[O-] ZINC000663423716 567506819 /nfs/dbraw/zinc/50/68/19/567506819.db2.gz DSDISXIVDOSYNU-GFCCVEGCSA-N -2 3 385.825 3.132 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@]1(c2ccccc2)CC1(C)C ZINC000663434269 567507090 /nfs/dbraw/zinc/50/70/90/567507090.db2.gz HABGEUMOFPBSKB-KRWDZBQOSA-N -2 3 381.475 3.059 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc(OC3CCCC3)cc2)c1 ZINC000551614372 567523157 /nfs/dbraw/zinc/52/31/57/567523157.db2.gz CBMTUGAWWMSTKZ-UHFFFAOYSA-N -2 3 381.475 3.246 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC(C)(C)C2)s1 ZINC000551911385 567541640 /nfs/dbraw/zinc/54/16/40/567541640.db2.gz APLUEVUNVYTXAT-CYBMUJFWSA-N -2 3 396.328 3.131 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000504703730 567545637 /nfs/dbraw/zinc/54/56/37/567545637.db2.gz PISDCAQOGRCBSN-LBPRGKRZSA-N -2 3 381.475 3.451 20 0 GGADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(Br)c1 ZINC000504713960 567545795 /nfs/dbraw/zinc/54/57/95/567545795.db2.gz ZIHQTPSRDBUYMN-GQCTYLIASA-N -2 3 379.210 3.059 20 0 GGADHL COc1ccc(CN=c2[n-]nc(Cc3ccccc3)o2)c(Br)c1[O-] ZINC000479768043 567557667 /nfs/dbraw/zinc/55/76/67/567557667.db2.gz BYBBZGNMDWCLIU-UHFFFAOYSA-N -2 3 390.237 3.171 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)cc1Cl ZINC000644572000 567560799 /nfs/dbraw/zinc/56/07/99/567560799.db2.gz RXAGYLCSWXIRHI-ISVAXAHUSA-N -2 3 384.281 3.026 20 0 GGADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000644571809 567561234 /nfs/dbraw/zinc/56/12/34/567561234.db2.gz GIUIVGPDYUFDHG-PRHODGIISA-N -2 3 398.706 3.126 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC000479884901 567566741 /nfs/dbraw/zinc/56/67/41/567566741.db2.gz ITYSVZNAUZHYSY-MQMHXKEQSA-N -2 3 383.828 3.402 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](c1ccccc1C)C1CC1 ZINC000571555914 567572342 /nfs/dbraw/zinc/57/23/42/567572342.db2.gz FNVUJISMYOURNC-OAHLLOKOSA-N -2 3 381.475 3.193 20 0 GGADHL COc1ccsc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000571585900 567573860 /nfs/dbraw/zinc/57/38/60/567573860.db2.gz DPVLYEIZUXPSRF-HNNXBMFYSA-N -2 3 377.443 3.014 20 0 GGADHL Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000480220012 567590023 /nfs/dbraw/zinc/59/00/23/567590023.db2.gz DURJNOHJNHKABG-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]CC[C@@H](Cc2ccccc2)C(=O)[O-])sc1Cl ZINC000530382859 567598149 /nfs/dbraw/zinc/59/81/49/567598149.db2.gz IFLJKVYZAUGNFZ-ZDUSSCGKSA-N -2 3 387.910 3.322 20 0 GGADHL CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000505808914 567598266 /nfs/dbraw/zinc/59/82/66/567598266.db2.gz KAAQCWIFZFCEOQ-UHFFFAOYSA-N -2 3 389.857 3.378 20 0 GGADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000505832495 567598723 /nfs/dbraw/zinc/59/87/23/567598723.db2.gz LVROCHBQTWCFSI-UHFFFAOYSA-N -2 3 379.768 3.010 20 0 GGADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000530420299 567599894 /nfs/dbraw/zinc/59/98/94/567599894.db2.gz XBFIXDRAGALHSC-LLVKDONJSA-N -2 3 396.690 3.024 20 0 GGADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000530473567 567604510 /nfs/dbraw/zinc/60/45/10/567604510.db2.gz WSDWXYJIBCIRSH-SNVBAGLBSA-N -2 3 396.690 3.024 20 0 GGADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000530476520 567605985 /nfs/dbraw/zinc/60/59/85/567605985.db2.gz RQCXYSHXNWQWJF-NSHDSACASA-N -2 3 396.690 3.024 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2C)cc1CC(=O)[O-] ZINC000552814550 567610673 /nfs/dbraw/zinc/61/06/73/567610673.db2.gz WXSDVXPVDNTVKZ-UHFFFAOYSA-N -2 3 381.475 3.153 20 0 GGADHL Cc1nc(C)c(CC(=O)Nc2cc(Cl)cc(Br)c2[O-])c(=O)[n-]1 ZINC000530656401 567616655 /nfs/dbraw/zinc/61/66/55/567616655.db2.gz DEDMRBSCPIAKNS-UHFFFAOYSA-N -2 3 386.633 3.102 20 0 GGADHL O=S(=O)([N-]c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccsc1 ZINC000506707139 567640439 /nfs/dbraw/zinc/64/04/39/567640439.db2.gz JKNGURXSCWWFEX-UHFFFAOYSA-N -2 3 394.499 3.350 20 0 GGADHL O=C(Nc1ccc(Br)cc1[O-])c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000531226885 567648159 /nfs/dbraw/zinc/64/81/59/567648159.db2.gz PGXLWLHYCYQFIN-UHFFFAOYSA-N -2 3 392.184 3.437 20 0 GGADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000572637091 567654977 /nfs/dbraw/zinc/65/49/77/567654977.db2.gz OHCOFRQSOJSXFJ-SNVBAGLBSA-N -2 3 394.396 3.290 20 0 GGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)c1 ZINC000531433719 567658827 /nfs/dbraw/zinc/65/88/27/567658827.db2.gz NEBUVADHECDDDF-UHFFFAOYSA-N -3 3 378.793 3.093 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)cc1CC(=O)[O-] ZINC000442233200 567685730 /nfs/dbraw/zinc/68/57/30/567685730.db2.gz ZHTJVWXGDVIHHC-UHFFFAOYSA-N -2 3 383.853 3.393 20 0 GGADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])on1 ZINC000645983090 567686632 /nfs/dbraw/zinc/68/66/32/567686632.db2.gz TXKBIZGEZLAHKV-UHFFFAOYSA-N -2 3 386.857 3.408 20 0 GGADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442237820 567688187 /nfs/dbraw/zinc/68/81/87/567688187.db2.gz PMCVLEQDCZHKQG-UHFFFAOYSA-N -2 3 377.752 3.131 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F)cc1C(=O)[O-] ZINC000645995755 567688668 /nfs/dbraw/zinc/68/86/68/567688668.db2.gz RXKAYSCDONICNU-LBPRGKRZSA-N -2 3 383.388 3.039 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1Cl ZINC000481587521 567690451 /nfs/dbraw/zinc/69/04/51/567690451.db2.gz PRWLFUDWNVOHNW-UHFFFAOYSA-N -2 3 384.841 3.204 20 0 GGADHL COc1cc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c(Cl)cc1C(=O)[O-] ZINC000507757556 567703076 /nfs/dbraw/zinc/70/30/76/567703076.db2.gz VBOAPTHRXMIMSK-SECBINFHSA-N -2 3 397.827 3.151 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2Br)c(F)c1 ZINC000554531130 567733211 /nfs/dbraw/zinc/73/32/11/567733211.db2.gz VAMINBWZMNINIJ-UHFFFAOYSA-N -2 3 388.214 3.228 20 0 GGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000554532672 567734401 /nfs/dbraw/zinc/73/44/01/567734401.db2.gz UZXVDYKUGZXQEI-VIFPVBQESA-N -2 3 387.351 3.036 20 0 GGADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000532847449 567738626 /nfs/dbraw/zinc/73/86/26/567738626.db2.gz JSKOFZZHPKVQJA-UHFFFAOYSA-N -2 3 375.324 3.213 20 0 GGADHL O=C(N=c1[n-]nc(C(F)F)s1)c1cc2cc(Br)sc2[n-]1 ZINC000646756530 567740190 /nfs/dbraw/zinc/74/01/90/567740190.db2.gz YAHGLGLFWHRZMW-UHFFFAOYSA-N -2 3 379.211 3.455 20 0 GGADHL COc1c(Br)cccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443455287 567758922 /nfs/dbraw/zinc/75/89/22/567758922.db2.gz RCRWUKBCBFBAMH-VURMDHGXSA-N -2 3 393.237 3.449 20 0 GGADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1cc(F)c(F)c(F)c1 ZINC000443510204 567764103 /nfs/dbraw/zinc/76/41/03/567764103.db2.gz PARXJVGQOAWFHI-UHFFFAOYSA-N -2 3 396.184 3.051 20 0 GGADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000574781579 567797138 /nfs/dbraw/zinc/79/71/38/567797138.db2.gz OCWTWUBVHGITPH-CQSZACIVSA-N -2 3 387.885 3.051 20 0 GGADHL CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000647922919 567806721 /nfs/dbraw/zinc/80/67/21/567806721.db2.gz UZXAHOVLKIOEIN-QWHCGFSZSA-N -2 3 381.372 3.103 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)ccc1F ZINC000048382876 570249917 /nfs/dbraw/zinc/24/99/17/570249917.db2.gz VORYBZYLAYAKMP-UHFFFAOYSA-N -2 3 382.388 3.064 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ncccc3[O-])cc2)cc1C ZINC000022265347 570311600 /nfs/dbraw/zinc/31/16/00/570311600.db2.gz HVPPTZRAHXWEAZ-UHFFFAOYSA-N -2 3 397.456 3.457 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000007055705 570775016 /nfs/dbraw/zinc/77/50/16/570775016.db2.gz DUNHEBFJESTDIQ-UHFFFAOYSA-N -2 3 375.402 3.227 20 0 GGADHL CC(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735819453 598842539 /nfs/dbraw/zinc/84/25/39/598842539.db2.gz VVOMICGHLBIRRX-UHFFFAOYSA-N -2 3 389.456 3.395 20 0 GGADHL CC(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735819453 598842542 /nfs/dbraw/zinc/84/25/42/598842542.db2.gz VVOMICGHLBIRRX-UHFFFAOYSA-N -2 3 389.456 3.395 20 0 GGADHL CCCCC[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000829346680 601404338 /nfs/dbraw/zinc/40/43/38/601404338.db2.gz CJSMUQHOLVFBJI-JTQLQIEISA-N -2 3 384.317 3.131 20 0 GGADHL CC(C)(CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C(=O)[O-] ZINC000735664669 599098739 /nfs/dbraw/zinc/09/87/39/599098739.db2.gz NKEOCPTVRGLDOV-UHFFFAOYSA-N -2 3 381.392 3.098 20 0 GGADHL CC(C)(CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C(=O)[O-] ZINC000735664669 599098742 /nfs/dbraw/zinc/09/87/42/599098742.db2.gz NKEOCPTVRGLDOV-UHFFFAOYSA-N -2 3 381.392 3.098 20 0 GGADHL CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000736702837 599558959 /nfs/dbraw/zinc/55/89/59/599558959.db2.gz WSVKAEWIUYWIGP-UHFFFAOYSA-N -2 3 397.382 3.249 20 0 GGADHL CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000736702837 599558961 /nfs/dbraw/zinc/55/89/61/599558961.db2.gz WSVKAEWIUYWIGP-UHFFFAOYSA-N -2 3 397.382 3.249 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)cc1 ZINC000730768122 599739337 /nfs/dbraw/zinc/73/93/37/599739337.db2.gz CDDWTAOLIQKCNI-UHFFFAOYSA-N -2 3 380.853 3.439 20 0 GGADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(Cl)c1 ZINC000740242752 599740462 /nfs/dbraw/zinc/74/04/62/599740462.db2.gz SXZABKIHXMFUOD-UHFFFAOYSA-N -2 3 380.853 3.439 20 0 GGADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000738565026 599743217 /nfs/dbraw/zinc/74/32/17/599743217.db2.gz CXIGRHSUOMOGRH-UHFFFAOYSA-N -2 3 398.706 3.416 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(OCc3ccccc3)c2)o1 ZINC000313618523 599770445 /nfs/dbraw/zinc/77/04/45/599770445.db2.gz FHJWZWWOCVYNHT-UHFFFAOYSA-N -2 3 387.413 3.035 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccc(F)cc2)o1 ZINC000740174383 599771422 /nfs/dbraw/zinc/77/14/22/599771422.db2.gz WKNCGBRAZPYHDH-QGZVFWFLSA-N -2 3 375.377 3.185 20 0 GGADHL COc1ccc(C2(C[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)CCCCC2)cc1 ZINC000737984609 599774410 /nfs/dbraw/zinc/77/44/10/599774410.db2.gz ZMCCGSBRGGEJOI-UHFFFAOYSA-N -2 3 393.461 3.167 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccccc2-c2ccccc2)o1 ZINC000740176830 599774785 /nfs/dbraw/zinc/77/47/85/599774785.db2.gz SJKSVELFCPTRPM-UHFFFAOYSA-N -2 3 387.413 3.002 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3c(F)cccc3F)CCCC2)o1 ZINC000740175258 599777011 /nfs/dbraw/zinc/77/70/11/599777011.db2.gz IHTGTTRUXIKGIQ-UHFFFAOYSA-N -2 3 385.388 3.046 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000740175808 599778466 /nfs/dbraw/zinc/77/84/66/599778466.db2.gz ZZCSSQQHDDKJLM-UHFFFAOYSA-N -2 3 389.351 3.007 20 0 GGADHL Cc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2cccc(Br)c2)c([O-])c1 ZINC000738514448 599837936 /nfs/dbraw/zinc/83/79/36/599837936.db2.gz DARIYAKWSPRHCW-QGZVFWFLSA-N -2 3 378.222 3.193 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c1C(=O)[O-] ZINC000738744077 599865094 /nfs/dbraw/zinc/86/50/94/599865094.db2.gz IMJMMNHWIITKIP-UHFFFAOYSA-N -2 3 391.836 3.333 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1OCC ZINC000066290382 599925681 /nfs/dbraw/zinc/92/56/81/599925681.db2.gz JDUSQBSESJAPQH-UHFFFAOYSA-N -2 3 379.434 3.291 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000466257983 599926665 /nfs/dbraw/zinc/92/66/65/599926665.db2.gz QHPCXTMMCJIJEO-UHFFFAOYSA-N -2 3 398.444 3.157 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)cc1C ZINC000738069508 599927485 /nfs/dbraw/zinc/92/74/85/599927485.db2.gz CXMBBWBCNLLFPC-UHFFFAOYSA-N -2 3 381.475 3.122 20 0 GGADHL O=C([O-])c1ccc(OCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000740167257 599940321 /nfs/dbraw/zinc/94/03/21/599940321.db2.gz ACQRCFKUTCVZTN-UHFFFAOYSA-N -2 3 390.244 3.049 20 0 GGADHL CC(=O)c1cc(F)cc(F)c1OCc1nc(=O)c2c(C)c(C(=O)[O-])sc2[n-]1 ZINC000736185865 600029667 /nfs/dbraw/zinc/02/96/67/600029667.db2.gz RJOQNUDUJKAKGZ-UHFFFAOYSA-N -2 3 394.355 3.051 20 0 GGADHL O=C([O-])[C@H]1Cc2ccccc2CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000739628389 600032213 /nfs/dbraw/zinc/03/22/13/600032213.db2.gz ZYANCCLLGCNPEF-OAHLLOKOSA-N -2 3 375.384 3.093 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCc3ccc(C(=O)[O-])cc3)c2)n1 ZINC000237110523 600039104 /nfs/dbraw/zinc/03/91/04/600039104.db2.gz CXNWJDRBGVLJRU-UHFFFAOYSA-N -2 3 391.427 3.269 20 0 GGADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(Cl)c1 ZINC000740241069 600100147 /nfs/dbraw/zinc/10/01/47/600100147.db2.gz NYSVIUFOJGLRDO-UHFFFAOYSA-N -2 3 377.809 3.025 20 0 GGADHL O=C([O-])c1ccc(COC(=O)c2n[n-]c(-c3ccccc3)c2Br)o1 ZINC000740135155 600101126 /nfs/dbraw/zinc/10/11/26/600101126.db2.gz YRMAAJGDPCYMMK-UHFFFAOYSA-N -2 3 391.177 3.487 20 0 GGADHL CN(C)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])cc1 ZINC000737374932 600103037 /nfs/dbraw/zinc/10/30/37/600103037.db2.gz CRBWANWPNADTRT-UHFFFAOYSA-N -2 3 388.367 3.270 20 0 GGADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000548524515 600168768 /nfs/dbraw/zinc/16/87/68/600168768.db2.gz KWDUIAZVATXONS-UHFFFAOYSA-N -2 3 388.470 3.029 20 0 GGADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C(=O)[O-])cc1 ZINC000738569916 600170299 /nfs/dbraw/zinc/17/02/99/600170299.db2.gz JNJKZPOSQVCQQD-ZDUSSCGKSA-N -2 3 388.272 3.449 20 0 GGADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000738570366 600170766 /nfs/dbraw/zinc/17/07/66/600170766.db2.gz PHMZLMDWNPHIKL-LBPRGKRZSA-N -2 3 388.272 3.449 20 0 GGADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C(=O)[O-])cc1 ZINC000738569015 600171096 /nfs/dbraw/zinc/17/10/96/600171096.db2.gz PJQINSILYDSFOZ-LBPRGKRZSA-N -2 3 388.272 3.449 20 0 GGADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C(=O)[O-])cc1 ZINC000738569012 600171309 /nfs/dbraw/zinc/17/13/09/600171309.db2.gz PJQINSILYDSFOZ-GFCCVEGCSA-N -2 3 388.272 3.449 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000738277215 600179297 /nfs/dbraw/zinc/17/92/97/600179297.db2.gz IJVLKXIOMWNLTD-UHFFFAOYSA-N -2 3 378.425 3.233 20 0 GGADHL O=C([O-])CCc1nc(CSc2nnc([N-]c3ccccc3F)s2)no1 ZINC000739771224 600183898 /nfs/dbraw/zinc/18/38/98/600183898.db2.gz IBXPLCBMKJEBNY-UHFFFAOYSA-N -2 3 381.414 3.113 20 0 GGADHL CCN(c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1)C(C)C ZINC000737107841 600243993 /nfs/dbraw/zinc/24/39/93/600243993.db2.gz BFEAEAKWBZSQEM-UHFFFAOYSA-N -2 3 376.478 3.349 20 0 GGADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1C ZINC000737839401 600300631 /nfs/dbraw/zinc/30/06/31/600300631.db2.gz LPPKTJTUJRASHK-UHFFFAOYSA-N -2 3 378.450 3.223 20 0 GGADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000736447655 600302351 /nfs/dbraw/zinc/30/23/51/600302351.db2.gz DLQGOFUFJPRLFO-UHFFFAOYSA-N -2 3 378.450 3.290 20 0 GGADHL O=C([O-])NCc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000740000890 600303519 /nfs/dbraw/zinc/30/35/19/600303519.db2.gz IJHRSWHGSVROTK-UHFFFAOYSA-N -2 3 390.339 3.154 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(CN(C)C)c1 ZINC000738632478 600361863 /nfs/dbraw/zinc/36/18/63/600361863.db2.gz AENGXGASDJLMJX-UHFFFAOYSA-N -2 3 382.869 3.209 20 0 GGADHL CC(C)(C)c1ccc([C@H](CC(=O)[O-])N/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000736296975 600394832 /nfs/dbraw/zinc/39/48/32/600394832.db2.gz AZAOJVPPVYGLAR-LJLZWOEMSA-N -2 3 392.455 3.401 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1OC1CCOCC1 ZINC000265628822 600395954 /nfs/dbraw/zinc/39/59/54/600395954.db2.gz MFFGLZUENZROKF-UHFFFAOYSA-N -2 3 391.445 3.052 20 0 GGADHL O=C([O-])CCc1nnc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])s1 ZINC000739777238 600464870 /nfs/dbraw/zinc/46/48/70/600464870.db2.gz LVJJVKKAFBMWNO-UHFFFAOYSA-N -2 3 399.428 3.092 20 0 GGADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1C ZINC000737839827 600487980 /nfs/dbraw/zinc/48/79/80/600487980.db2.gz PHWBAZWCFDHODO-UHFFFAOYSA-N -2 3 393.461 3.356 20 0 GGADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCCCC(=O)[O-])cc3)ccc2O1 ZINC000736826524 600488797 /nfs/dbraw/zinc/48/87/97/600488797.db2.gz VBIISEWOSGRUNE-ZDUSSCGKSA-N -2 3 391.445 3.054 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c(C)c1 ZINC000738064129 600489054 /nfs/dbraw/zinc/48/90/54/600489054.db2.gz TWRBIFBMKRHWAG-UHFFFAOYSA-N -2 3 379.434 3.048 20 0 GGADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc(Br)cs2)s1 ZINC000739710853 600536470 /nfs/dbraw/zinc/53/64/70/600536470.db2.gz KNLRQWKJBNLKCQ-UHFFFAOYSA-N -2 3 376.257 3.022 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1C(=O)[O-] ZINC000048382740 600543328 /nfs/dbraw/zinc/54/33/28/600543328.db2.gz MYTZAKNTPZYYQG-UHFFFAOYSA-N -2 3 390.442 3.318 20 0 GGADHL COc1ccc(C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)[O-])c([O-])c1 ZINC000737921602 600607639 /nfs/dbraw/zinc/60/76/39/600607639.db2.gz ZLXQKBIDDDUDKZ-UHFFFAOYSA-N -2 3 398.242 3.477 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CCCCC2)c(F)cc1Br ZINC000740088378 600632189 /nfs/dbraw/zinc/63/21/89/600632189.db2.gz VAOBUZODNPTIMV-UHFFFAOYSA-N -2 3 394.262 3.145 20 0 GGADHL CCC(CC)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736894085 600633635 /nfs/dbraw/zinc/63/36/35/600633635.db2.gz FELPWFHBWVLYKA-UHFFFAOYSA-N -2 3 382.251 3.001 20 0 GGADHL CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736970845 600633681 /nfs/dbraw/zinc/63/36/81/600633681.db2.gz QNNRHWBRLYMGFL-MRVPVSSYSA-N -2 3 382.251 3.143 20 0 GGADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CCCC1 ZINC000736739119 600634603 /nfs/dbraw/zinc/63/46/03/600634603.db2.gz WCOAOMKDZBYKIT-UHFFFAOYSA-N -2 3 394.262 3.145 20 0 GGADHL CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000606826072 600634733 /nfs/dbraw/zinc/63/47/33/600634733.db2.gz SEUSHRDANLDGNX-UHFFFAOYSA-N -2 3 377.462 3.466 20 0 GGADHL Cc1cnn(-c2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)cc2F)c1 ZINC000477427792 600635885 /nfs/dbraw/zinc/63/58/85/600635885.db2.gz VXYNOVLJYLRXAY-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C(C)(C)C ZINC000736603955 600635968 /nfs/dbraw/zinc/63/59/68/600635968.db2.gz GYJZNARRNGTFDE-QMMMGPOBSA-N -2 3 396.278 3.247 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)ccc1C(F)(F)F ZINC000438774599 600686344 /nfs/dbraw/zinc/68/63/44/600686344.db2.gz DWNQAOZPMDYWMP-UHFFFAOYSA-N -2 3 389.351 3.278 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1 ZINC000438763744 600686447 /nfs/dbraw/zinc/68/64/47/600686447.db2.gz HZJYHWISNBABIU-UHFFFAOYSA-N -2 3 389.351 3.056 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccc1C(F)(F)F ZINC000832899068 600686933 /nfs/dbraw/zinc/68/69/33/600686933.db2.gz CGTUCZJXGOTBID-UHFFFAOYSA-N -2 3 375.324 3.218 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)c2ccccc2F)o1 ZINC000740172763 600726924 /nfs/dbraw/zinc/72/69/24/600726924.db2.gz GWXHAVQKHVUZTN-INIZCTEOSA-N -2 3 389.404 3.379 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000827768699 600756408 /nfs/dbraw/zinc/75/64/08/600756408.db2.gz WOTZNWZYNNGGFW-SNVBAGLBSA-N -2 3 378.431 3.141 20 0 GGADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)on1 ZINC000185069143 600770354 /nfs/dbraw/zinc/77/03/54/600770354.db2.gz JJLCGKYKMCPVBM-UHFFFAOYSA-N -2 3 386.857 3.408 20 0 GGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C2CC2)n1 ZINC000185063098 600770424 /nfs/dbraw/zinc/77/04/24/600770424.db2.gz CZPIWVMLMXFVOU-ZDUSSCGKSA-N -2 3 386.882 3.233 20 0 GGADHL CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000828738315 600782351 /nfs/dbraw/zinc/78/23/51/600782351.db2.gz NREUWXSGDKKVTE-BDAKNGLRSA-N -2 3 396.278 3.389 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1OCC ZINC000013349676 600807969 /nfs/dbraw/zinc/80/79/69/600807969.db2.gz VLLBGJVJOGAPJX-UHFFFAOYSA-N -2 3 379.434 3.291 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1C(=O)[O-] ZINC000024432241 600808409 /nfs/dbraw/zinc/80/84/09/600808409.db2.gz PKARDEOHKDPYPQ-UHFFFAOYSA-N -2 3 390.461 3.479 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1C(=O)[O-] ZINC000013028091 600808719 /nfs/dbraw/zinc/80/87/19/600808719.db2.gz HBOYIOJFWGUGQT-UHFFFAOYSA-N -2 3 375.233 3.383 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1C(=O)[O-] ZINC000832955900 600828120 /nfs/dbraw/zinc/82/81/20/600828120.db2.gz UNECEVNTDHGAOX-UHFFFAOYSA-N -2 3 391.836 3.333 20 0 GGADHL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000467760751 600868041 /nfs/dbraw/zinc/86/80/41/600868041.db2.gz VNEMXQNHPIIHOQ-UHFFFAOYSA-N -2 3 389.351 3.278 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)ccc1C(=O)[O-] ZINC000738477114 600886902 /nfs/dbraw/zinc/88/69/02/600886902.db2.gz QGERJSYJSDSESD-UHFFFAOYSA-N -2 3 375.233 3.383 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)ccc1C(=O)[O-] ZINC000506584981 600887649 /nfs/dbraw/zinc/88/76/49/600887649.db2.gz OTNMEYFAIYGXQM-UHFFFAOYSA-N -2 3 389.351 3.435 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1 ZINC000607615664 600896407 /nfs/dbraw/zinc/89/64/07/600896407.db2.gz JTOXMEKUTJOITC-UHFFFAOYSA-N -2 3 389.351 3.056 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1C ZINC000524812751 600899568 /nfs/dbraw/zinc/89/95/68/600899568.db2.gz LHFVZCTVKFBWHL-UHFFFAOYSA-N -2 3 377.462 3.475 20 0 GGADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(C)(C)C(=O)[O-])cc3)ccc2O1 ZINC000484988084 600899991 /nfs/dbraw/zinc/89/99/91/600899991.db2.gz PLBFEVZLQSVARR-GFCCVEGCSA-N -2 3 375.446 3.173 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c(C)c1 ZINC000607030682 600900191 /nfs/dbraw/zinc/90/01/91/600900191.db2.gz SCKMHORCJSZVCX-UHFFFAOYSA-N -2 3 377.462 3.475 20 0 GGADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000738997047 600934091 /nfs/dbraw/zinc/93/40/91/600934091.db2.gz RVGJUXNXTPVFTR-UHFFFAOYSA-N -2 3 394.431 3.166 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)c1F ZINC000833293914 600991687 /nfs/dbraw/zinc/99/16/87/600991687.db2.gz HSSAVPGWZYURHK-UHFFFAOYSA-N -2 3 395.305 3.160 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2CCCc3ccccc32)c1F ZINC000833294351 600993704 /nfs/dbraw/zinc/99/37/04/600993704.db2.gz QXMPMFIKWSULQS-GFCCVEGCSA-N -2 3 381.400 3.061 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc(C)c1F ZINC000738477358 601049007 /nfs/dbraw/zinc/04/90/07/601049007.db2.gz YPTJXYFHXCCGMQ-UHFFFAOYSA-N -2 3 381.425 3.487 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)ccc1O ZINC000740089202 601051378 /nfs/dbraw/zinc/05/13/78/601051378.db2.gz AMFXOJXATCRWLO-UHFFFAOYSA-N -2 3 395.408 3.352 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]c2ccccc2Br)c1F ZINC000314197724 601120042 /nfs/dbraw/zinc/12/00/42/601120042.db2.gz PGOUBJYEWMSZMX-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccccc2Br)cc1C(=O)[O-] ZINC000833027571 601214622 /nfs/dbraw/zinc/21/46/22/601214622.db2.gz HBTOSZNNNXVPHW-QMMMGPOBSA-N -2 3 388.239 3.088 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)c(Cl)cc1Cl ZINC000833303331 601214774 /nfs/dbraw/zinc/21/47/74/601214774.db2.gz HBOMJSKYKNQIKT-YFKPBYRVSA-N -2 3 393.075 3.164 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000833029023 601217275 /nfs/dbraw/zinc/21/72/75/601217275.db2.gz XGOKFBIGMKNBBS-SFHVURJKSA-N -2 3 389.404 3.493 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]Cc2ccccc2OC2CCCC2)cc1C(=O)[O-] ZINC000565301567 601217498 /nfs/dbraw/zinc/21/74/98/601217498.db2.gz YPZQKRXNNMUGSX-UHFFFAOYSA-N -2 3 379.434 3.086 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)cc1C(=O)[O-] ZINC000833026696 601219223 /nfs/dbraw/zinc/21/92/23/601219223.db2.gz IDPQHXYQNRQQIZ-UHFFFAOYSA-N -2 3 386.838 3.028 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]C(c2cccs2)c2cccs2)cc1C(=O)[O-] ZINC000833028736 601222960 /nfs/dbraw/zinc/22/29/60/601222960.db2.gz PPUZMSONGRVRSQ-UHFFFAOYSA-N -2 3 383.472 3.477 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000566853715 601223824 /nfs/dbraw/zinc/22/38/24/601223824.db2.gz RSJNHOCLNQNYES-QAPCUYQASA-N -2 3 393.461 3.041 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2csc3ccccc23)c1F ZINC000833294030 601231859 /nfs/dbraw/zinc/23/18/59/601231859.db2.gz LQWMYDBPYFYFOX-UHFFFAOYSA-N -2 3 383.397 3.356 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2csc3ccccc23)c1F ZINC000833293707 601232028 /nfs/dbraw/zinc/23/20/28/601232028.db2.gz FCDPYROMGUMOQK-UHFFFAOYSA-N -2 3 397.424 3.399 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)c1F ZINC000833293991 601234257 /nfs/dbraw/zinc/23/42/57/601234257.db2.gz KOKXYWPUXIUIEB-UHFFFAOYSA-N -2 3 396.198 3.448 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCc2cccc(Cl)c2)c1F ZINC000833293724 601234398 /nfs/dbraw/zinc/23/43/98/601234398.db2.gz GNRXCRRRRIJERF-UHFFFAOYSA-N -2 3 389.807 3.228 20 0 GGADHL Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832980561 601235104 /nfs/dbraw/zinc/23/51/04/601235104.db2.gz GXQALNXSMZSNMC-UHFFFAOYSA-N -2 3 383.416 3.271 20 0 GGADHL Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832923432 601235237 /nfs/dbraw/zinc/23/52/37/601235237.db2.gz IVNJDXDUROTXFW-UHFFFAOYSA-N -2 3 383.416 3.228 20 0 GGADHL CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827139501 601235987 /nfs/dbraw/zinc/23/59/87/601235987.db2.gz MMBULDVCLYZYHB-UHFFFAOYSA-N -2 3 399.415 3.144 20 0 GGADHL Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c(C)c1 ZINC000832929111 601236484 /nfs/dbraw/zinc/23/64/84/601236484.db2.gz MTISUCSWPUZJBH-LBPRGKRZSA-N -2 3 383.416 3.189 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccccc2OC2CCC2)c1F ZINC000833293719 601237760 /nfs/dbraw/zinc/23/77/60/601237760.db2.gz GHMBCDJFIQBYGL-UHFFFAOYSA-N -2 3 397.399 3.073 20 0 GGADHL C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Sc1ccccc1 ZINC000827507997 601239308 /nfs/dbraw/zinc/23/93/08/601239308.db2.gz RXRWCTZYNOQIPS-SNVBAGLBSA-N -2 3 387.429 3.122 20 0 GGADHL CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000830157972 601240602 /nfs/dbraw/zinc/24/06/02/601240602.db2.gz PUMLJUCQAUQVQF-UWVGGRQHSA-N -2 3 379.450 3.006 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)ccc1F ZINC000007055988 601317920 /nfs/dbraw/zinc/31/79/20/601317920.db2.gz MDDQTOYYYLYWSM-UHFFFAOYSA-N -2 3 379.287 3.223 20 0 GGADHL CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000024432466 601321152 /nfs/dbraw/zinc/32/11/52/601321152.db2.gz UJQCZBCGNLEAGR-UHFFFAOYSA-N -2 3 394.424 3.309 20 0 GGADHL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2)n1 ZINC000026538827 601321268 /nfs/dbraw/zinc/32/12/68/601321268.db2.gz PFSZPIUFFMQKAH-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1C ZINC000825907959 601322212 /nfs/dbraw/zinc/32/22/12/601322212.db2.gz IIJWCPAMWSBTPT-UHFFFAOYSA-N -2 3 376.434 3.069 20 0 GGADHL Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])cc1 ZINC000832922689 601324056 /nfs/dbraw/zinc/32/40/56/601324056.db2.gz FECNDTNQQVOGLZ-UHFFFAOYSA-N -2 3 389.351 3.278 20 0 GGADHL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1 ZINC000614822491 601324533 /nfs/dbraw/zinc/32/45/33/601324533.db2.gz YBDSFIXLDPWDGS-UHFFFAOYSA-N -2 3 376.434 3.151 20 0 GGADHL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1C ZINC000614872875 601326006 /nfs/dbraw/zinc/32/60/06/601326006.db2.gz ITGCPPAMKAGHDY-UHFFFAOYSA-N -2 3 390.461 3.378 20 0 GGADHL CSCCc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000832766515 601330368 /nfs/dbraw/zinc/33/03/68/601330368.db2.gz BFROFFKGRAAWSC-WDZFZDKYSA-N -2 3 377.487 3.491 20 0 GGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)c1C ZINC000327225987 601332260 /nfs/dbraw/zinc/33/22/60/601332260.db2.gz ACNCHMZYMLFWHG-UHFFFAOYSA-N -2 3 397.865 3.461 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1OCC ZINC000484811743 601334371 /nfs/dbraw/zinc/33/43/71/601334371.db2.gz SDEMRKIEZUILBO-UHFFFAOYSA-N -2 3 379.434 3.291 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)ccc1N1CCCC1 ZINC000832900052 601360395 /nfs/dbraw/zinc/36/03/95/601360395.db2.gz ZTHHXFAQPCFLNG-IZZDOVSWSA-N -2 3 386.473 3.494 20 0 GGADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)c1C ZINC000832868184 601360496 /nfs/dbraw/zinc/36/04/96/601360496.db2.gz GYZABEPVZQKVNX-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(Cl)cc1 ZINC000013344283 601394335 /nfs/dbraw/zinc/39/43/35/601394335.db2.gz DZSRANTUIQADKN-NSHDSACASA-N -2 3 393.770 3.252 20 0 GGADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Oc1ccccc1C ZINC000828883574 601399730 /nfs/dbraw/zinc/39/97/30/601399730.db2.gz HQHLMYVOLRQVLS-LBPRGKRZSA-N -2 3 399.415 3.107 20 0 GGADHL O=C([O-])Nc1ccc(C(=O)Nc2cc(I)ccc2[O-])cc1 ZINC000833282681 601438272 /nfs/dbraw/zinc/43/82/72/601438272.db2.gz NTVMDQSQMFQGIN-UHFFFAOYSA-N -2 3 398.156 3.339 20 0 GGADHL CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000830158640 601443955 /nfs/dbraw/zinc/44/39/55/601443955.db2.gz YRGXAMXDHLALAO-MNOVXSKESA-N -2 3 379.450 3.006 20 0 GGADHL Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(F)cc1F ZINC000832959402 601475198 /nfs/dbraw/zinc/47/51/98/601475198.db2.gz FGDPJGABISCLGF-UHFFFAOYSA-N -2 3 378.356 3.320 20 0 GGADHL Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc2)n1 ZINC000441727239 601558284 /nfs/dbraw/zinc/55/82/84/601558284.db2.gz IHGDQNQZXZPXBA-UHFFFAOYSA-N -2 3 399.428 3.385 20 0 GGADHL Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)cc2)n1 ZINC000441760166 601558541 /nfs/dbraw/zinc/55/85/41/601558541.db2.gz IQOSHAKSWRRGEQ-UHFFFAOYSA-N -2 3 399.428 3.385 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccc(F)c2)cc1C(=O)[O-] ZINC000833028262 601596979 /nfs/dbraw/zinc/59/69/79/601596979.db2.gz NFCNHUSOUSZJFB-GOSISDBHSA-N -2 3 389.404 3.493 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CCCCC1 ZINC000833169533 601597004 /nfs/dbraw/zinc/59/70/04/601597004.db2.gz RZXKHCDWGVBLJB-ZDUSSCGKSA-N -2 3 383.363 3.156 20 0 GGADHL COC(=O)c1sc2[n-]c(C(Cl)=Cc3c[nH]c(C(=O)[O-])c3)nc(=O)c2c1C ZINC000831478631 601791156 /nfs/dbraw/zinc/79/11/56/601791156.db2.gz BGVTZLJSYIYTPP-FPYGCLRLSA-N -2 3 393.808 3.255 20 0 GGADHL COC(=O)c1sc2[n-]c(C(Cl)=Cc3c[nH]c(C(=O)[O-])c3)nc(=O)c2c1C ZINC000831478630 601791277 /nfs/dbraw/zinc/79/12/77/601791277.db2.gz BGVTZLJSYIYTPP-BAQGIRSFSA-N -2 3 393.808 3.255 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)ccc1Cl ZINC000739673469 601829861 /nfs/dbraw/zinc/82/98/61/601829861.db2.gz CJTRQTHMKKSXCN-CYBMUJFWSA-N -2 3 397.836 3.007 20 0 GGADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3C)cc2F)c1 ZINC000548538689 601856221 /nfs/dbraw/zinc/85/62/21/601856221.db2.gz IKEAQSOWYNOHAO-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C(=O)[O-])cc2F)c1 ZINC000832952889 601858205 /nfs/dbraw/zinc/85/82/05/601858205.db2.gz JXVMSWYUDJEJJL-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000833294537 601861639 /nfs/dbraw/zinc/86/16/39/601861639.db2.gz IVPWHJJORPGGMC-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C(=O)[O-])c3)cc2F)c1 ZINC000466247661 601862230 /nfs/dbraw/zinc/86/22/30/601862230.db2.gz DGHXCUWEBVNRRW-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1F ZINC000832887250 601883099 /nfs/dbraw/zinc/88/30/99/601883099.db2.gz KSHPGQTYHPRQMW-CQSZACIVSA-N -2 3 375.780 3.031 20 0 GGADHL Cc1nc(C)c(CC(=O)O[C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)c(=O)[n-]1 ZINC000832994609 602083640 /nfs/dbraw/zinc/08/36/40/602083640.db2.gz NLBQZEHMMIATTM-AWEZNQCLSA-N -2 3 385.203 3.017 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc(C(=O)[O-])c1C ZINC000832904318 602113348 /nfs/dbraw/zinc/11/33/48/602113348.db2.gz GYASOOOOOCOWLF-UHFFFAOYSA-N -3 3 382.369 3.031 20 0 GGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000484170695 602174916 /nfs/dbraw/zinc/17/49/16/602174916.db2.gz IUJLWFBLCLQWIB-UHFFFAOYSA-N -2 3 394.412 3.124 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2cccc(Cl)c2)c2ccccn2)o1 ZINC000833324537 602175405 /nfs/dbraw/zinc/17/54/05/602175405.db2.gz GMQAMELASQBCRI-MRXNPFEDSA-N -2 3 392.820 3.094 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1C(=O)[O-] ZINC000361268127 602201474 /nfs/dbraw/zinc/20/14/74/602201474.db2.gz FPMXHMRHPSUOJO-UHFFFAOYSA-N -2 3 388.401 3.158 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1-c1ncco1 ZINC000164676950 602202913 /nfs/dbraw/zinc/20/29/13/602202913.db2.gz AFSLPSVZMOUKLA-UHFFFAOYSA-N -2 3 376.365 3.288 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000832914756 602239617 /nfs/dbraw/zinc/23/96/17/602239617.db2.gz FRYHXKNUNLVEDH-UHFFFAOYSA-N -2 3 379.210 3.483 20 0 GGADHL O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1ccc(F)cc1[O-] ZINC000826455520 607563632 /nfs/dbraw/zinc/56/36/32/607563632.db2.gz RVXDBABDXULCDV-UHFFFAOYSA-N -2 3 392.350 3.151 20 0 GGADHL O=C([O-])Cc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000833265442 604328946 /nfs/dbraw/zinc/32/89/46/604328946.db2.gz AYYDOMXOGBXBBR-UHFFFAOYSA-N -2 3 379.210 3.104 20 0 GGADHL COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccco1 ZINC000832597430 604363843 /nfs/dbraw/zinc/36/38/43/604363843.db2.gz XHRRTRLJFDAYNN-MRXNPFEDSA-N -2 3 393.442 3.116 20 0 GGADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000776553567 604488795 /nfs/dbraw/zinc/48/87/95/604488795.db2.gz XIBPEOJWWBMNOU-UHFFFAOYSA-N -2 3 396.278 3.292 20 0 GGADHL COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(SC)cc2)cc(OC)c1[O-] ZINC000833726724 604490203 /nfs/dbraw/zinc/49/02/03/604490203.db2.gz GWXYQAOEXOIDCG-AWEZNQCLSA-N -2 3 391.445 3.077 20 0 GGADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(SCCC(=O)[O-])c3)ccc2O1 ZINC000833633393 604538066 /nfs/dbraw/zinc/53/80/66/604538066.db2.gz VFWXVRLWNOETJP-LBPRGKRZSA-N -2 3 393.486 3.378 20 0 GGADHL CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000833504520 604732738 /nfs/dbraw/zinc/73/27/38/604732738.db2.gz QZNWKGWFBJZGFL-LJQANCHMSA-N -2 3 385.460 3.128 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)c(C)c1C ZINC000832468843 604806307 /nfs/dbraw/zinc/80/63/07/604806307.db2.gz QONQTAUZEKBORW-UHFFFAOYSA-N -2 3 399.852 3.230 20 0 GGADHL O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl ZINC000833259126 604807443 /nfs/dbraw/zinc/80/74/43/604807443.db2.gz INGVZOLWQAZCRN-UHFFFAOYSA-N -2 3 395.864 3.483 20 0 GGADHL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000540039072 604860258 /nfs/dbraw/zinc/86/02/58/604860258.db2.gz XQMUQDGOJRHEBD-UHFFFAOYSA-N -2 3 375.446 3.175 20 0 GGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000833506629 605006065 /nfs/dbraw/zinc/00/60/65/605006065.db2.gz HTJDSCWXWIFMJR-UHFFFAOYSA-N -2 3 399.852 3.391 20 0 GGADHL CC(C)CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833483999 605022786 /nfs/dbraw/zinc/02/27/86/605022786.db2.gz HQMCKQZKIZSDSL-LBPRGKRZSA-N -2 3 398.506 3.306 20 0 GGADHL CC(C)([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000833460933 605023535 /nfs/dbraw/zinc/02/35/35/605023535.db2.gz PMRALWBDMPTMCB-UHFFFAOYSA-N -2 3 394.396 3.074 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1csnc1C(=O)[O-])Cc1cccc(Cl)c1 ZINC000833459483 605045916 /nfs/dbraw/zinc/04/59/16/605045916.db2.gz DNRJTTHJOIUISL-UHFFFAOYSA-N -2 3 388.898 3.042 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c(C)c1 ZINC000833662883 605124693 /nfs/dbraw/zinc/12/46/93/605124693.db2.gz LLAKJRPHRIDQDT-UHFFFAOYSA-N -2 3 375.446 3.311 20 0 GGADHL CC1(C)CC[C@H]2C[C@@H]([N-]S(=O)(=O)c3csnc3C(=O)[O-])c3cccc1c32 ZINC000833559095 605144886 /nfs/dbraw/zinc/14/48/86/605144886.db2.gz UQHKGSVZZRXAIT-GXFFZTMASA-N -2 3 392.502 3.420 20 0 GGADHL Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833745876 605163098 /nfs/dbraw/zinc/16/30/98/605163098.db2.gz GBFFXOXEEWKDFM-UHFFFAOYSA-N -2 3 378.425 3.233 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1OCC ZINC000833662928 605183775 /nfs/dbraw/zinc/18/37/75/605183775.db2.gz NAJLSAYQQZVLAO-UHFFFAOYSA-N -2 3 379.434 3.291 20 0 GGADHL CSc1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1Cl ZINC000821983358 606163316 /nfs/dbraw/zinc/16/33/16/606163316.db2.gz HAUQUAPGJQOPRH-UHFFFAOYSA-N -2 3 381.870 3.043 20 0 GGADHL CSc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1Cl ZINC000821983358 606163317 /nfs/dbraw/zinc/16/33/17/606163317.db2.gz HAUQUAPGJQOPRH-UHFFFAOYSA-N -2 3 381.870 3.043 20 0 GGADHL CCSc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821461186 606866071 /nfs/dbraw/zinc/86/60/71/606866071.db2.gz LXXLAVYPTWOFSD-UHFFFAOYSA-N -2 3 397.432 3.058 20 0 GGADHL CCSc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821461186 606866073 /nfs/dbraw/zinc/86/60/73/606866073.db2.gz LXXLAVYPTWOFSD-UHFFFAOYSA-N -2 3 397.432 3.058 20 0 GGADHL O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823583457 606870813 /nfs/dbraw/zinc/87/08/13/606870813.db2.gz QVZQFXPSONVHHY-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823583457 606870814 /nfs/dbraw/zinc/87/08/14/606870814.db2.gz QVZQFXPSONVHHY-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(C)C)sc1C ZINC000826272358 608293264 /nfs/dbraw/zinc/29/32/64/608293264.db2.gz FSGMAOIRJQXLFT-UHFFFAOYSA-N -2 3 393.494 3.133 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nnn[n-]3)c2)sc1C ZINC000826272674 608293979 /nfs/dbraw/zinc/29/39/79/608293979.db2.gz WFVOFEWDHYZHEW-UHFFFAOYSA-N -2 3 393.494 3.133 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nn[n-]n3)c2)sc1C ZINC000826272674 608293981 /nfs/dbraw/zinc/29/39/81/608293981.db2.gz WFVOFEWDHYZHEW-UHFFFAOYSA-N -2 3 393.494 3.133 20 0 GGADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1scnc1-c1ccccc1 ZINC000826256568 608308334 /nfs/dbraw/zinc/30/83/34/608308334.db2.gz PUDXIMYGEAYFGC-UHFFFAOYSA-N -2 3 398.473 3.099 20 0 GGADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1scnc1-c1ccccc1 ZINC000826256568 608308335 /nfs/dbraw/zinc/30/83/35/608308335.db2.gz PUDXIMYGEAYFGC-UHFFFAOYSA-N -2 3 398.473 3.099 20 0 GGADHL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824334533 609524766 /nfs/dbraw/zinc/52/47/66/609524766.db2.gz XDODCHCGDHXDOP-UHFFFAOYSA-N -2 3 393.856 3.108 20 0 GGADHL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824334533 609524768 /nfs/dbraw/zinc/52/47/68/609524768.db2.gz XDODCHCGDHXDOP-UHFFFAOYSA-N -2 3 393.856 3.108 20 0 GGADHL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825615960 609526091 /nfs/dbraw/zinc/52/60/91/609526091.db2.gz QUVCORPCCNZZTI-UHFFFAOYSA-N -2 3 393.856 3.028 20 0 GGADHL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825615960 609526092 /nfs/dbraw/zinc/52/60/92/609526092.db2.gz QUVCORPCCNZZTI-UHFFFAOYSA-N -2 3 393.856 3.028 20 0 GGADHL O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493013 609526320 /nfs/dbraw/zinc/52/63/20/609526320.db2.gz OUVHZBKTDZOACF-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493013 609526323 /nfs/dbraw/zinc/52/63/23/609526323.db2.gz OUVHZBKTDZOACF-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc3c(cccc3Cl)s2)s1 ZINC000615885304 651881787 /nfs/dbraw/zinc/88/17/87/651881787.db2.gz WBHQXIDCTQDXBH-UHFFFAOYSA-N -2 3 388.883 3.030 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H](C(=O)[O-])c3ccccc3)c2)n1 ZINC000055149668 1406893939 /nfs/dbraw/zinc/89/39/39/1406893939.db2.gz JACBDFYJPBZRTP-SFHVURJKSA-N -2 3 391.427 3.196 20 0 GGADHL COc1cc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc(OC)c1[O-] ZINC000007587089 1398710463 /nfs/dbraw/zinc/71/04/63/1398710463.db2.gz CXFHTWPPGMKPMP-ZROIWOOFSA-N -2 3 379.368 3.152 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCCO3)c(C)c1 ZINC000010657343 1398908714 /nfs/dbraw/zinc/90/87/14/1398908714.db2.gz JUVQWCLVRUQZDN-UHFFFAOYSA-N -2 3 391.445 3.272 20 0 GGADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1CCCCC1 ZINC000014048812 1399084232 /nfs/dbraw/zinc/08/42/32/1399084232.db2.gz XLKODHYHJYPDBS-UHFFFAOYSA-N -2 3 394.880 3.473 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c2ccccc12 ZINC000055581678 1407012147 /nfs/dbraw/zinc/01/21/47/1407012147.db2.gz PRQVEVLBUCMWDD-UHFFFAOYSA-N -2 3 375.377 3.487 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccccc3Cl)c2)n1 ZINC000055621129 1407027270 /nfs/dbraw/zinc/02/72/70/1407027270.db2.gz IFUJGYPOMLYCKZ-UHFFFAOYSA-N -2 3 389.864 3.454 20 0 GGADHL CCCCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000022196742 1399443726 /nfs/dbraw/zinc/44/37/26/1399443726.db2.gz FAWYSJRKVNMRSU-UHFFFAOYSA-N -2 3 378.450 3.330 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ncccc3[O-])c2)c1 ZINC000022264559 1399448848 /nfs/dbraw/zinc/44/88/48/1399448848.db2.gz FUDJIGBYVBPCMU-UHFFFAOYSA-N -2 3 383.429 3.149 20 0 GGADHL CCOc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ncccc2[O-])cc1 ZINC000022264369 1399448934 /nfs/dbraw/zinc/44/89/34/1399448934.db2.gz JQTUPWDJETZKQB-UHFFFAOYSA-N -2 3 385.449 3.136 20 0 GGADHL CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000042791683 1400416458 /nfs/dbraw/zinc/41/64/58/1400416458.db2.gz DRJUMYNBHCSCOK-UHFFFAOYSA-N -2 3 376.434 3.069 20 0 GGADHL Cn1c2ccccc2c2cc(S(=O)(=O)[N-][N-]C(=O)c3ccccc3F)ccc21 ZINC000048231789 1405108632 /nfs/dbraw/zinc/10/86/32/1405108632.db2.gz VOTBQAALFFEZTH-UHFFFAOYSA-N -2 3 397.431 3.094 20 0 GGADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nccs2)c1 ZINC000048382721 1405173332 /nfs/dbraw/zinc/17/33/32/1405173332.db2.gz KMLNFUYITINBDT-UHFFFAOYSA-N -2 3 390.442 3.323 20 0 GGADHL COc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1[N-]S(C)(=O)=O ZINC000052281145 1406006815 /nfs/dbraw/zinc/00/68/15/1406006815.db2.gz VXSSZAQEZKTYGZ-UHFFFAOYSA-N -2 3 378.450 3.148 20 0 GGADHL COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000057125379 1407529026 /nfs/dbraw/zinc/52/90/26/1407529026.db2.gz OUAGFRQERWXKPE-UHFFFAOYSA-N -2 3 392.433 3.005 20 0 GGADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000060417641 1407974070 /nfs/dbraw/zinc/97/40/70/1407974070.db2.gz MKYJNWTXQVKLIF-UHFFFAOYSA-N -2 3 393.314 3.358 20 0 GGADHL O=C([N-]Cc1ccccc1[N-]S(=O)(=O)c1ccccc1)C(F)(F)C(F)F ZINC000176380618 1428286784 /nfs/dbraw/zinc/28/67/84/1428286784.db2.gz JAFAIMGOUDQAQX-UHFFFAOYSA-N -2 3 390.358 3.004 20 0 GGADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)ccc1Cl ZINC000063443839 1408355535 /nfs/dbraw/zinc/35/55/35/1408355535.db2.gz AEIVUTVHFFVCGA-UHFFFAOYSA-N -2 3 396.852 3.414 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1OCC(=O)[O-] ZINC000063476258 1408361052 /nfs/dbraw/zinc/36/10/52/1408361052.db2.gz SEHKRABOCVLFQM-UHFFFAOYSA-N -2 3 389.351 3.278 20 0 GGADHL Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000065223980 1408655278 /nfs/dbraw/zinc/65/52/78/1408655278.db2.gz SWHLVTYIZSKSSD-UHFFFAOYSA-N -2 3 385.401 3.076 20 0 GGADHL O=C([N-][N-]S(=O)(=O)c1ccc(OCC2CCCCC2)cc1)NC1CCCC1 ZINC000065832986 1408738006 /nfs/dbraw/zinc/73/80/06/1408738006.db2.gz PBETYHAODJVNKW-UHFFFAOYSA-N -2 3 395.525 3.081 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cc1CO ZINC000067660078 1409200655 /nfs/dbraw/zinc/20/06/55/1409200655.db2.gz GWNLIACEINCQQQ-UHFFFAOYSA-N -2 3 393.461 3.200 20 0 GGADHL O=C(CC1CCSCC1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826404521 1428804260 /nfs/dbraw/zinc/80/42/60/1428804260.db2.gz CTATWIYWWWEAJU-UHFFFAOYSA-N -2 3 386.506 3.462 20 0 GGADHL O=C(CC1CCSCC1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826404521 1428804262 /nfs/dbraw/zinc/80/42/62/1428804262.db2.gz CTATWIYWWWEAJU-UHFFFAOYSA-N -2 3 386.506 3.462 20 0 GGADHL O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826492827 1428991091 /nfs/dbraw/zinc/99/10/91/1428991091.db2.gz GPVSHKDWJFNHLT-UHFFFAOYSA-N -2 3 375.841 3.198 20 0 GGADHL O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826492827 1428991095 /nfs/dbraw/zinc/99/10/95/1428991095.db2.gz GPVSHKDWJFNHLT-UHFFFAOYSA-N -2 3 375.841 3.198 20 0 GGADHL CC1(C)C[C@@H]1CNC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736212414 1429039814 /nfs/dbraw/zinc/03/98/14/1429039814.db2.gz YDMIARBCYWDIIA-CYBMUJFWSA-N -2 3 383.481 3.082 20 0 GGADHL CC1(C)C[C@@H]1CNC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736212414 1429039819 /nfs/dbraw/zinc/03/98/19/1429039819.db2.gz YDMIARBCYWDIIA-CYBMUJFWSA-N -2 3 383.481 3.082 20 0 GGADHL Cc1cc(C(=O)Nc2cccc([O-])c2F)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000129592055 1416233850 /nfs/dbraw/zinc/23/38/50/1416233850.db2.gz COGGMVIQKFPGHC-UHFFFAOYSA-N -2 3 392.330 3.354 20 0 GGADHL C[C@@H](CC(=O)[N-]c1ncc(-c2nn[n-]n2)s1)c1ccc(C(F)(F)F)cc1 ZINC000820225563 1429308060 /nfs/dbraw/zinc/30/80/60/1429308060.db2.gz LJBLUQQYSWKPHB-QMMMGPOBSA-N -2 3 382.371 3.474 20 0 GGADHL C[C@@H](CC(=O)[N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(C(F)(F)F)cc1 ZINC000820225563 1429308073 /nfs/dbraw/zinc/30/80/73/1429308073.db2.gz LJBLUQQYSWKPHB-QMMMGPOBSA-N -2 3 382.371 3.474 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2Cl)c1Cl ZINC000826303776 1429346890 /nfs/dbraw/zinc/34/68/90/1429346890.db2.gz DYQARSFLVXEJET-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2Cl)c1Cl ZINC000826303776 1429346891 /nfs/dbraw/zinc/34/68/91/1429346891.db2.gz DYQARSFLVXEJET-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL CCCCc1ccc2nc([N-]C(=O)Cc3noc(C)c3-c3nnn[n-]3)sc2c1 ZINC000825296443 1429540199 /nfs/dbraw/zinc/54/01/99/1429540199.db2.gz JDWQEBYTSONNDD-UHFFFAOYSA-N -2 3 397.464 3.297 20 0 GGADHL CCCCc1ccc2nc([N-]C(=O)Cc3noc(C)c3-c3nn[n-]n3)sc2c1 ZINC000825296443 1429540208 /nfs/dbraw/zinc/54/02/08/1429540208.db2.gz JDWQEBYTSONNDD-UHFFFAOYSA-N -2 3 397.464 3.297 20 0 GGADHL O=C(CCn1c(=O)c2ccccc2[n-]c1=S)Nc1ccc(Cl)cc1[O-] ZINC000153653058 1422679818 /nfs/dbraw/zinc/67/98/18/1422679818.db2.gz WDEWYZSHSYTUJR-UHFFFAOYSA-N -2 3 375.837 3.073 20 0 GGADHL Cc1ncc(C=CC(=O)[N-]c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)s1 ZINC000737490720 1429629858 /nfs/dbraw/zinc/62/98/58/1429629858.db2.gz WMURDLWUYCOXLK-SREVYHEPSA-N -2 3 395.473 3.407 20 0 GGADHL Cc1ncc(C=CC(=O)[N-]c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)s1 ZINC000737490720 1429629861 /nfs/dbraw/zinc/62/98/61/1429629861.db2.gz WMURDLWUYCOXLK-SREVYHEPSA-N -2 3 395.473 3.407 20 0 GGADHL Cc1noc(C)c1[C@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826338447 1424523336 /nfs/dbraw/zinc/52/33/36/1424523336.db2.gz VSZNIGIHBDLQIZ-VIFPVBQESA-N -2 3 395.448 3.337 20 0 GGADHL Cc1noc(C)c1[C@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826338447 1424523340 /nfs/dbraw/zinc/52/33/40/1424523340.db2.gz VSZNIGIHBDLQIZ-VIFPVBQESA-N -2 3 395.448 3.337 20 0 GGADHL Cc1c(C(=O)[N-]N=c2cnc3ccccc3[n-]2)nnn1-c1ccc(F)c(Cl)c1 ZINC000163561146 1425018402 /nfs/dbraw/zinc/01/84/02/1425018402.db2.gz AXKAYDHKVCVEEQ-UHFFFAOYSA-N -2 3 397.801 3.068 20 0 GGADHL CC(C)(C)c1csc([N-]C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735657186 1425190223 /nfs/dbraw/zinc/19/02/23/1425190223.db2.gz QHDGBTXDHXXCNM-AWEZNQCLSA-N -2 3 397.508 3.228 20 0 GGADHL O=C(Cc1cccc(-c2nn[n-]n2)c1)[N-]c1nc(Cc2ccccc2)cs1 ZINC000826423143 1425475080 /nfs/dbraw/zinc/47/50/80/1425475080.db2.gz AEAVEXRLOUIXHB-UHFFFAOYSA-N -2 3 376.445 3.095 20 0 GGADHL O=C(Cc1cccc(-c2nnn[n-]2)c1)[N-]c1nc(Cc2ccccc2)cs1 ZINC000826423143 1425475083 /nfs/dbraw/zinc/47/50/83/1425475083.db2.gz AEAVEXRLOUIXHB-UHFFFAOYSA-N -2 3 376.445 3.095 20 0 GGADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]c1nc(-c2ccc(O)cc2)cs1 ZINC000737855081 1426248238 /nfs/dbraw/zinc/24/82/38/1426248238.db2.gz YTJAWGDUWBGOAH-UHFFFAOYSA-N -2 3 392.444 3.267 20 0 GGADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]c1nc(-c2ccc(O)cc2)cs1 ZINC000737855081 1426248240 /nfs/dbraw/zinc/24/82/40/1426248240.db2.gz YTJAWGDUWBGOAH-UHFFFAOYSA-N -2 3 392.444 3.267 20 0 GGADHL CCCCCc1nnc([N-]C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000825276447 1426368644 /nfs/dbraw/zinc/36/86/44/1426368644.db2.gz XWTPGXYZWGJCCZ-UHFFFAOYSA-N -2 3 377.861 3.357 20 0 GGADHL CCc1nnc([N-]C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)s1 ZINC000825767847 1426965707 /nfs/dbraw/zinc/96/57/07/1426965707.db2.gz QRVTZEYPOFWKLE-UHFFFAOYSA-N -2 3 393.432 3.325 20 0 GGADHL CCc1nnc([N-]C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)s1 ZINC000825767847 1426965709 /nfs/dbraw/zinc/96/57/09/1426965709.db2.gz QRVTZEYPOFWKLE-UHFFFAOYSA-N -2 3 393.432 3.325 20 0 GGADHL O=C(Cc1c(F)cccc1F)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000823074819 1427289979 /nfs/dbraw/zinc/28/99/79/1427289979.db2.gz XQPMULCYIDIOHD-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL O=C(Cc1c(F)cccc1F)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000823074819 1427289985 /nfs/dbraw/zinc/28/99/85/1427289985.db2.gz XQPMULCYIDIOHD-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823382950 1427439233 /nfs/dbraw/zinc/43/92/33/1427439233.db2.gz HRIZPXDQVHBEPI-UHFFFAOYSA-N -2 3 397.851 3.215 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1C(F)(F)F ZINC000737362948 1427512443 /nfs/dbraw/zinc/51/24/43/1427512443.db2.gz ZLEHZRMBNGSDMH-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL CC(C)(c1nnc([N-]C(=O)c2cccc(-c3nn[n-]n3)c2)s1)c1ccccc1 ZINC000735679574 1427521149 /nfs/dbraw/zinc/52/11/49/1427521149.db2.gz LEFYTLKMGFQHLN-UHFFFAOYSA-N -2 3 391.460 3.296 20 0 GGADHL C[C@H]1CCC[C@@H]1NC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736260453 1427580158 /nfs/dbraw/zinc/58/01/58/1427580158.db2.gz HQAJLSFAMLBEEL-NHYWBVRUSA-N -2 3 383.481 3.224 20 0 GGADHL C[C@H]1CCC[C@@H]1NC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736260453 1427580163 /nfs/dbraw/zinc/58/01/63/1427580163.db2.gz HQAJLSFAMLBEEL-NHYWBVRUSA-N -2 3 383.481 3.224 20 0 GGADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000736326257 1427601558 /nfs/dbraw/zinc/60/15/58/1427601558.db2.gz HTGYNWKYSQDINQ-ZDUSSCGKSA-N -2 3 387.465 3.153 20 0 GGADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000736326257 1427601563 /nfs/dbraw/zinc/60/15/63/1427601563.db2.gz HTGYNWKYSQDINQ-ZDUSSCGKSA-N -2 3 387.465 3.153 20 0 GGADHL Cc1ccc(CCC(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)o1 ZINC000826287536 1429782244 /nfs/dbraw/zinc/78/22/44/1429782244.db2.gz SRMUAQWMIPJNIR-UHFFFAOYSA-N -2 3 380.433 3.463 20 0 GGADHL Cc1ccc(CCC(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)o1 ZINC000826287536 1429782247 /nfs/dbraw/zinc/78/22/47/1429782247.db2.gz SRMUAQWMIPJNIR-UHFFFAOYSA-N -2 3 380.433 3.463 20 0 GGADHL CSc1cccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1C ZINC000826230681 1430103695 /nfs/dbraw/zinc/10/36/95/1430103695.db2.gz FJCKRMBPLUXBFS-UHFFFAOYSA-N -2 3 375.479 3.006 20 0 GGADHL CSc1cccc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1C ZINC000826230681 1430103698 /nfs/dbraw/zinc/10/36/98/1430103698.db2.gz FJCKRMBPLUXBFS-UHFFFAOYSA-N -2 3 375.479 3.006 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c(C)c1CC(=O)[O-] ZINC000181237908 1430254501 /nfs/dbraw/zinc/25/45/01/1430254501.db2.gz CSMYBSQMCKOGHX-UHFFFAOYSA-N -2 3 399.472 3.430 20 0 GGADHL O=C(CCn1c(=O)c2ccccc2[n-]c1=S)Nc1ccc([O-])c(Cl)c1 ZINC000182866955 1430556743 /nfs/dbraw/zinc/55/67/43/1430556743.db2.gz LCVNWMDWCYHBHB-UHFFFAOYSA-N -2 3 375.837 3.073 20 0 GGADHL Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)o1 ZINC000189031843 1432030757 /nfs/dbraw/zinc/03/07/57/1432030757.db2.gz JGYFDKQXSFFWLH-UHFFFAOYSA-N -2 3 398.868 3.044 20 0 GGADHL Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000190374531 1432369275 /nfs/dbraw/zinc/36/92/75/1432369275.db2.gz MXCLEUJDXAUMSW-UHFFFAOYSA-N -2 3 397.456 3.168 20 0 GGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)cc1C(=O)[O-] ZINC000190374730 1432369360 /nfs/dbraw/zinc/36/93/60/1432369360.db2.gz FTWGXNBVANLGPI-UHFFFAOYSA-N -2 3 385.445 3.242 20 0 GGADHL Cc1nc(C=Cc2ccccc2OCc2cccnc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000193403220 1432991820 /nfs/dbraw/zinc/99/18/20/1432991820.db2.gz OPZHSSKIMPEGAQ-CSKARUKUSA-N -2 3 391.427 3.240 20 0 GGADHL Cc1nn(-c2ccccc2)c(C)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000193404917 1432992470 /nfs/dbraw/zinc/99/24/70/1432992470.db2.gz ORNMIQRBROWMPE-PKNBQFBNSA-N -2 3 378.432 3.068 20 0 GGADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1cccc([N+](=O)[O-])c1Br ZINC000193474417 1433005201 /nfs/dbraw/zinc/00/52/01/1433005201.db2.gz PIPDODXSNSQNJQ-UHFFFAOYSA-N -2 3 388.181 3.057 20 0 GGADHL CCCC[C@H](CC)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000230951177 1433372935 /nfs/dbraw/zinc/37/29/35/1433372935.db2.gz NUWAWGWSCFXZRJ-VIFPVBQESA-N -2 3 382.276 3.235 20 0 GGADHL O=C([O-])[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H]1C(F)(F)F ZINC000263435065 1434006643 /nfs/dbraw/zinc/00/66/43/1434006643.db2.gz OIZUBYINZCVISM-HZPDHXFCSA-N -2 3 393.361 3.318 20 0 GGADHL COc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(F)c2)c(C)c1 ZINC000264146258 1434075744 /nfs/dbraw/zinc/07/57/44/1434075744.db2.gz VGMNQLMIPRBLNP-UHFFFAOYSA-N -2 3 397.424 3.187 20 0 GGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC(C)(C)C)ccc1[O-] ZINC000268789607 1434557829 /nfs/dbraw/zinc/55/78/29/1434557829.db2.gz UDAWGNSKCWMEDO-UHFFFAOYSA-N -2 3 378.450 3.329 20 0 GGADHL CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1C(=O)[O-] ZINC000269701009 1434670452 /nfs/dbraw/zinc/67/04/52/1434670452.db2.gz YGSCUERZDIDEPL-UHFFFAOYSA-N -2 3 388.445 3.023 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c(C)c1O ZINC000272753529 1434928128 /nfs/dbraw/zinc/92/81/28/1434928128.db2.gz MTLSKHFOSCSRMA-UHFFFAOYSA-N -2 3 377.462 3.362 20 0 GGADHL COc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1OC ZINC000272768960 1434929436 /nfs/dbraw/zinc/92/94/36/1434929436.db2.gz SOSTWMODMZGUBL-UHFFFAOYSA-N -2 3 393.461 3.057 20 0 GGADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1Cl ZINC000823583132 1441442478 /nfs/dbraw/zinc/44/24/78/1441442478.db2.gz IJEOYJQHLWFCMA-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=C(Cc1cccc(-c2nnn[n-]2)c1)[N-]c1nc(-c2ccc(F)c(F)c2)cs1 ZINC000823108726 1442082493 /nfs/dbraw/zinc/08/24/93/1442082493.db2.gz QIMPTRHOUDJIPG-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL O=C(Cc1cccc(-c2nn[n-]n2)c1)[N-]c1nc(-c2ccc(F)c(F)c2)cs1 ZINC000823108726 1442082499 /nfs/dbraw/zinc/08/24/99/1442082499.db2.gz QIMPTRHOUDJIPG-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL C[C@H]1CC[C@H](CCC(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)O1 ZINC000824906476 1442259025 /nfs/dbraw/zinc/25/90/25/1442259025.db2.gz BXHFLAHPGWLTNB-SMDDNHRTSA-N -2 3 384.465 3.276 20 0 GGADHL C[C@H]1CC[C@H](CCC(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)O1 ZINC000824906476 1442259030 /nfs/dbraw/zinc/25/90/30/1442259030.db2.gz BXHFLAHPGWLTNB-SMDDNHRTSA-N -2 3 384.465 3.276 20 0 GGADHL O=C(Cc1cccc(-c2nnn[n-]2)c1)[N-]c1nc(-c2cc(F)ccc2F)cs1 ZINC000823107971 1442275241 /nfs/dbraw/zinc/27/52/41/1442275241.db2.gz HLPQOPUAKBHFRZ-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL O=C(Cc1cccc(-c2nn[n-]n2)c1)[N-]c1nc(-c2cc(F)ccc2F)cs1 ZINC000823107971 1442275242 /nfs/dbraw/zinc/27/52/42/1442275242.db2.gz HLPQOPUAKBHFRZ-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL CC1(NC(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCCC1 ZINC000736224165 1442275314 /nfs/dbraw/zinc/27/53/14/1442275314.db2.gz QKFLOCXQPNVLMA-UHFFFAOYSA-N -2 3 383.481 3.368 20 0 GGADHL CC1(NC(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCCC1 ZINC000736224165 1442275319 /nfs/dbraw/zinc/27/53/19/1442275319.db2.gz QKFLOCXQPNVLMA-UHFFFAOYSA-N -2 3 383.481 3.368 20 0 GGADHL Cc1nc([N-]C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)sc1C ZINC000737482495 1443429349 /nfs/dbraw/zinc/42/93/49/1443429349.db2.gz MDUXWAPMXBWTHJ-UHFFFAOYSA-N -2 3 399.480 3.015 20 0 GGADHL Cc1nc([N-]C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)sc1C ZINC000737482495 1443429353 /nfs/dbraw/zinc/42/93/53/1443429353.db2.gz MDUXWAPMXBWTHJ-UHFFFAOYSA-N -2 3 399.480 3.015 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)N[C@@H]1CC=CCC1 ZINC000738208955 1443493830 /nfs/dbraw/zinc/49/38/30/1443493830.db2.gz PTKJSMSFFZJAJG-CQSZACIVSA-N -2 3 381.465 3.144 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)N[C@@H]1CC=CCC1 ZINC000738208955 1443493831 /nfs/dbraw/zinc/49/38/31/1443493831.db2.gz PTKJSMSFFZJAJG-CQSZACIVSA-N -2 3 381.465 3.144 20 0 GGADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]c1cc(-c2ccccc2)ns1 ZINC000823043594 1443521385 /nfs/dbraw/zinc/52/13/85/1443521385.db2.gz BNKYAAXWRYMZCN-UHFFFAOYSA-N -2 3 378.417 3.008 20 0 GGADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]c1cc(-c2ccccc2)ns1 ZINC000823043594 1443521390 /nfs/dbraw/zinc/52/13/90/1443521390.db2.gz BNKYAAXWRYMZCN-UHFFFAOYSA-N -2 3 378.417 3.008 20 0 GGADHL COc1cc(F)cc2sc([N-]C(=O)C=Cc3ccccc3-c3nnn[n-]3)nc21 ZINC000737053713 1443544372 /nfs/dbraw/zinc/54/43/72/1443544372.db2.gz KZJYBXHVSLGXPW-SREVYHEPSA-N -2 3 396.407 3.276 20 0 GGADHL COc1cc(F)cc2sc([N-]C(=O)C=Cc3ccccc3-c3nn[n-]n3)nc21 ZINC000737053713 1443544376 /nfs/dbraw/zinc/54/43/76/1443544376.db2.gz KZJYBXHVSLGXPW-SREVYHEPSA-N -2 3 396.407 3.276 20 0 GGADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000823582837 1443591668 /nfs/dbraw/zinc/59/16/68/1443591668.db2.gz BTCWSJIDIOPQAD-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1F)c1cc(Cl)cc(Cl)c1 ZINC000823582837 1443591670 /nfs/dbraw/zinc/59/16/70/1443591670.db2.gz BTCWSJIDIOPQAD-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL C[C@@H]1CC[C@H](C)N1C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820683742 1443659973 /nfs/dbraw/zinc/65/99/73/1443659973.db2.gz GPRHJJXWEGROLF-TXEJJXNPSA-N -2 3 383.481 3.319 20 0 GGADHL C[C@@H]1CC[C@H](C)N1C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820683742 1443659975 /nfs/dbraw/zinc/65/99/75/1443659975.db2.gz GPRHJJXWEGROLF-TXEJJXNPSA-N -2 3 383.481 3.319 20 0 GGADHL O=C([N-]c1nc2c(s1)CCCC2)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826459856 1443869548 /nfs/dbraw/zinc/86/95/48/1443869548.db2.gz BYKFGHQYVWRUNP-UHFFFAOYSA-N -2 3 381.465 3.013 20 0 GGADHL O=C([N-]c1nc2c(s1)CCCC2)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826459856 1443869551 /nfs/dbraw/zinc/86/95/51/1443869551.db2.gz BYKFGHQYVWRUNP-UHFFFAOYSA-N -2 3 381.465 3.013 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)[C@H]1CC12CCCC2 ZINC000823382665 1443908611 /nfs/dbraw/zinc/90/86/11/1443908611.db2.gz CIUZQYNUCMSBTO-OAHLLOKOSA-N -2 3 380.477 3.433 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)[C@H]1CC12CCCC2 ZINC000823382665 1443908612 /nfs/dbraw/zinc/90/86/12/1443908612.db2.gz CIUZQYNUCMSBTO-OAHLLOKOSA-N -2 3 380.477 3.433 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1C(F)(F)F ZINC000737360860 1446304880 /nfs/dbraw/zinc/30/48/80/1446304880.db2.gz CSJNZBNBVZMWDI-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1C(F)(F)F ZINC000737360860 1446304886 /nfs/dbraw/zinc/30/48/86/1446304886.db2.gz CSJNZBNBVZMWDI-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL O=C(COc1ccc(-c2nnn[n-]2)cc1)[N-]c1cnc(-c2ccccc2)s1 ZINC000826417245 1446316340 /nfs/dbraw/zinc/31/63/40/1446316340.db2.gz JUCTWJMIJMVRSJ-UHFFFAOYSA-N -2 3 378.417 3.008 20 0 GGADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]c1cnc(-c2ccccc2)s1 ZINC000826417245 1446316345 /nfs/dbraw/zinc/31/63/45/1446316345.db2.gz JUCTWJMIJMVRSJ-UHFFFAOYSA-N -2 3 378.417 3.008 20 0 GGADHL Cc1ccc(Sc2nsc([N-]C(=O)c3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000822271114 1446374086 /nfs/dbraw/zinc/37/40/86/1446374086.db2.gz MZEMTGBGYGIQOW-UHFFFAOYSA-N -2 3 395.473 3.430 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)[C@@H]1CC12CCCC2 ZINC000823382664 1446455874 /nfs/dbraw/zinc/45/58/74/1446455874.db2.gz CIUZQYNUCMSBTO-HNNXBMFYSA-N -2 3 380.477 3.433 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)[C@@H]1CC12CCCC2 ZINC000823382664 1446455876 /nfs/dbraw/zinc/45/58/76/1446455876.db2.gz CIUZQYNUCMSBTO-HNNXBMFYSA-N -2 3 380.477 3.433 20 0 GGADHL CC(C)C[C@H](C)NC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824228603 1446482281 /nfs/dbraw/zinc/48/22/81/1446482281.db2.gz KAVPYUIXAJCRJY-LBPRGKRZSA-N -2 3 385.497 3.470 20 0 GGADHL CC(C)C[C@H](C)NC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824228603 1446482284 /nfs/dbraw/zinc/48/22/84/1446482284.db2.gz KAVPYUIXAJCRJY-LBPRGKRZSA-N -2 3 385.497 3.470 20 0 GGADHL C[C@H](NC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C1CCC1 ZINC000824506201 1446688519 /nfs/dbraw/zinc/68/85/19/1446688519.db2.gz MNXJVKDSOWJTBZ-NSHDSACASA-N -2 3 383.481 3.224 20 0 GGADHL C[C@H](NC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C1CCC1 ZINC000824506201 1446688527 /nfs/dbraw/zinc/68/85/27/1446688527.db2.gz MNXJVKDSOWJTBZ-NSHDSACASA-N -2 3 383.481 3.224 20 0 GGADHL CC(C)c1csc([N-]C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000824352943 1446712146 /nfs/dbraw/zinc/71/21/46/1446712146.db2.gz RQDYCPKVWACWHK-OAHLLOKOSA-N -2 3 399.480 3.052 20 0 GGADHL O=C(Cc1cccc(F)c1F)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826423472 1446747295 /nfs/dbraw/zinc/74/72/95/1446747295.db2.gz QJFOHJMEHDTMIH-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL O=C(Cc1cccc(F)c1F)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826423472 1446747297 /nfs/dbraw/zinc/74/72/97/1446747297.db2.gz QJFOHJMEHDTMIH-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL O=C(CSc1ccc(-c2nn[n-]n2)cc1F)[N-]c1nc2c(s1)CCCC2 ZINC000737949003 1446781449 /nfs/dbraw/zinc/78/14/49/1446781449.db2.gz VIBYQNZKZXABGC-UHFFFAOYSA-N -2 3 390.469 3.072 20 0 GGADHL O=C(CSc1ccc(-c2nnn[n-]2)cc1F)[N-]c1nc2c(s1)CCCC2 ZINC000737949003 1446781452 /nfs/dbraw/zinc/78/14/52/1446781452.db2.gz VIBYQNZKZXABGC-UHFFFAOYSA-N -2 3 390.469 3.072 20 0 GGADHL Cc1ccc(Sc2nsc([N-]C(=O)c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000822271147 1447198104 /nfs/dbraw/zinc/19/81/04/1447198104.db2.gz OCJPOJBQPXWUSX-UHFFFAOYSA-N -2 3 395.473 3.430 20 0 GGADHL Cc1cc(=O)[n-]c([C@@H](C)Sc2nc(C)cc(C(F)(F)F)c2-c2nn[n-]n2)n1 ZINC000822210585 1447263720 /nfs/dbraw/zinc/26/37/20/1447263720.db2.gz JDGGBFCERMDVMG-MRVPVSSYSA-N -2 3 397.386 3.246 20 0 GGADHL Cc1cc(=O)[n-]c([C@@H](C)Sc2nc(C)cc(C(F)(F)F)c2-c2nnn[n-]2)n1 ZINC000822210585 1447263727 /nfs/dbraw/zinc/26/37/27/1447263727.db2.gz JDGGBFCERMDVMG-MRVPVSSYSA-N -2 3 397.386 3.246 20 0 GGADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]c1cc(-c2ccccc2)ns1 ZINC000736169313 1447328712 /nfs/dbraw/zinc/32/87/12/1447328712.db2.gz MSAYOJHCGBACKH-GFCCVEGCSA-N -2 3 392.444 3.396 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)[C@@H]1Cc2ccccc21 ZINC000738205796 1449193469 /nfs/dbraw/zinc/19/34/69/1449193469.db2.gz DFHYIYGAEHYYTO-QGZVFWFLSA-N -2 3 388.456 3.192 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)[C@@H]1Cc2ccccc21 ZINC000738205796 1449193476 /nfs/dbraw/zinc/19/34/76/1449193476.db2.gz DFHYIYGAEHYYTO-QGZVFWFLSA-N -2 3 388.456 3.192 20 0 GGADHL Cc1nc(C)c(-c2csc([N-]C(=O)Cc3cccc(-c4nn[n-]n4)c3)n2)s1 ZINC000822427293 1449221093 /nfs/dbraw/zinc/22/10/93/1449221093.db2.gz IPTPVQAABFLDSG-UHFFFAOYSA-N -2 3 397.489 3.245 20 0 GGADHL Cc1nc(C)c(-c2csc([N-]C(=O)Cc3cccc(-c4nnn[n-]4)c3)n2)s1 ZINC000822427293 1449221098 /nfs/dbraw/zinc/22/10/98/1449221098.db2.gz IPTPVQAABFLDSG-UHFFFAOYSA-N -2 3 397.489 3.245 20 0 GGADHL O=C([N-]c1nnc(-c2ccsc2)s1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826460600 1449416573 /nfs/dbraw/zinc/41/65/73/1449416573.db2.gz JQPSSRVMDWGOSN-UHFFFAOYSA-N -2 3 389.853 3.352 20 0 GGADHL CC[C@H]1C[C@@H](C(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCO1 ZINC000825183464 1449548221 /nfs/dbraw/zinc/54/82/21/1449548221.db2.gz OZQOHVMXRHCUPJ-KBPBESRZSA-N -2 3 384.465 3.134 20 0 GGADHL CC[C@H]1C[C@@H](C(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCO1 ZINC000825183464 1449548225 /nfs/dbraw/zinc/54/82/25/1449548225.db2.gz OZQOHVMXRHCUPJ-KBPBESRZSA-N -2 3 384.465 3.134 20 0 GGADHL Cc1cc(C)cc(-c2nnc([N-]C(=O)c3ccc(-c4nn[n-]n4)cc3)s2)c1 ZINC000737251266 1449570562 /nfs/dbraw/zinc/57/05/62/1449570562.db2.gz DKDLHJFJXFFPQI-UHFFFAOYSA-N -2 3 377.433 3.254 20 0 GGADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000826251322 1449654956 /nfs/dbraw/zinc/65/49/56/1449654956.db2.gz LZIIBODTGLPHFO-UHFFFAOYSA-N -2 3 383.481 3.402 20 0 GGADHL C[C@@H]1CC[C@H](CCC(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)O1 ZINC000820690962 1449701569 /nfs/dbraw/zinc/70/15/69/1449701569.db2.gz UNOVAVIKOGJZMY-IUODEOHRSA-N -2 3 398.492 3.200 20 0 GGADHL C[C@@H]1CC[C@H](CCC(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)O1 ZINC000820690962 1449701575 /nfs/dbraw/zinc/70/15/75/1449701575.db2.gz UNOVAVIKOGJZMY-IUODEOHRSA-N -2 3 398.492 3.200 20 0 GGADHL Cc1cc(OCCCC(=O)[N-]c2ncc(-c3nn[n-]n3)s2)ccc1Cl ZINC000822210717 1449994580 /nfs/dbraw/zinc/99/45/80/1449994580.db2.gz OKYDRMVZVNENCO-UHFFFAOYSA-N -2 3 378.845 3.083 20 0 GGADHL Cc1cc(OCCCC(=O)[N-]c2ncc(-c3nnn[n-]3)s2)ccc1Cl ZINC000822210717 1449994583 /nfs/dbraw/zinc/99/45/83/1449994583.db2.gz OKYDRMVZVNENCO-UHFFFAOYSA-N -2 3 378.845 3.083 20 0 GGADHL Cc1ncc(C=CC(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)s1 ZINC000826329616 1450086036 /nfs/dbraw/zinc/08/60/36/1450086036.db2.gz LCLQRNSWLLGJFW-WAYWQWQTSA-N -2 3 395.473 3.407 20 0 GGADHL Cc1ncc(C=CC(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)s1 ZINC000826329616 1450086040 /nfs/dbraw/zinc/08/60/40/1450086040.db2.gz LCLQRNSWLLGJFW-WAYWQWQTSA-N -2 3 395.473 3.407 20 0 GGADHL O=C(CNc1ccc(-c2nnn[n-]2)cc1)[N-]c1scnc1-c1ccccc1 ZINC000737898260 1450198086 /nfs/dbraw/zinc/19/80/86/1450198086.db2.gz GXDJTGMSUJOFNT-UHFFFAOYSA-N -2 3 377.433 3.041 20 0 GGADHL O=C(CNc1ccc(-c2nn[n-]n2)cc1)[N-]c1scnc1-c1ccccc1 ZINC000737898260 1450198093 /nfs/dbraw/zinc/19/80/93/1450198093.db2.gz GXDJTGMSUJOFNT-UHFFFAOYSA-N -2 3 377.433 3.041 20 0 GGADHL Cc1nc(CC(C)C)c([N-]C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822436263 1450206968 /nfs/dbraw/zinc/20/69/68/1450206968.db2.gz KDZQUMUFASJRHA-LLVKDONJSA-N -2 3 386.481 3.236 20 0 GGADHL Cc1nc(CC(C)C)c([N-]C(=O)[C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822436263 1450206971 /nfs/dbraw/zinc/20/69/71/1450206971.db2.gz KDZQUMUFASJRHA-LLVKDONJSA-N -2 3 386.481 3.236 20 0 GGADHL CCOc1ccccc1C(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c1ccc(OC)c(F)c1 ZINC000262944125 939088388 /nfs/dbraw/zinc/08/83/88/939088388.db2.gz GWZJAHQZGXGNNS-MRXNPFEDSA-N -2 3 397.349 3.267 20 0 GGADHL CC[C@](NC(=O)c1nnc2ccccc2c1[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC000795539768 939156763 /nfs/dbraw/zinc/15/67/63/939156763.db2.gz KIURXBMIPKHCKQ-LJQANCHMSA-N -2 3 385.807 3.109 20 0 GGADHL CSCCCCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000322943192 970948904 /nfs/dbraw/zinc/94/89/04/970948904.db2.gz BMGCMKXLMINXOQ-UHFFFAOYSA-N -2 3 383.894 3.379 20 0 GGADHL O=C([O-])[C@H](Cc1ccncc1)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC001601659929 971039205 /nfs/dbraw/zinc/03/92/05/971039205.db2.gz MGWQUSYKVVMAPI-LBPRGKRZSA-N -2 3 389.185 3.292 20 0 GGADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000326881726 971339839 /nfs/dbraw/zinc/33/98/39/971339839.db2.gz GTTSDESCHWDCHB-UHFFFAOYSA-N -2 3 388.760 3.195 20 0 GGADHL O=S(=O)(Cc1ccc(Cl)c(Cl)c1)[N-]c1ccccc1-c1nn[n-]n1 ZINC000826486621 948401120 /nfs/dbraw/zinc/40/11/20/948401120.db2.gz JTFNJBCNMLYIMP-UHFFFAOYSA-N -2 3 384.248 3.115 20 0 GGADHL O=C([O-])c1ccccc1C1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC001595250502 949553384 /nfs/dbraw/zinc/55/33/84/949553384.db2.gz PHCJURIPRAFREN-UHFFFAOYSA-N -2 3 376.412 3.246 20 0 GGADHL O=C([O-])C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000379080480 971598697 /nfs/dbraw/zinc/59/86/97/971598697.db2.gz XNHXGTAXDODBBE-SCZZXKLOSA-N -2 3 385.791 3.281 20 0 GGADHL CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001573881965 950757775 /nfs/dbraw/zinc/75/77/75/950757775.db2.gz LRBRHYIYYJKNCY-UHFFFAOYSA-N -2 3 377.448 3.463 20 0 GGADHL O=C([O-])CC1([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCCCC1 ZINC001594984856 951016402 /nfs/dbraw/zinc/01/64/02/951016402.db2.gz VIQNZFKOEVTKBI-UHFFFAOYSA-N -2 3 399.362 3.180 20 0 GGADHL O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC001595024996 951337349 /nfs/dbraw/zinc/33/73/49/951337349.db2.gz VZTYXFIRWWECHX-ZDUSSCGKSA-N -2 3 377.400 3.019 20 0 GGADHL O=C([O-])CCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CCOCC1 ZINC001595055465 951490369 /nfs/dbraw/zinc/49/03/69/951490369.db2.gz PDKJHRQPOCXKKF-UHFFFAOYSA-N -2 3 385.416 3.280 20 0 GGADHL C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC001575190265 952461096 /nfs/dbraw/zinc/46/10/96/952461096.db2.gz RRPCCJJWAAXEES-SECBINFHSA-N -2 3 375.791 3.182 20 0 GGADHL CC[C@@H](C(=O)[O-])N(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000650517463 954025890 /nfs/dbraw/zinc/02/58/90/954025890.db2.gz MMPHZHVEWAKRSV-ZDUSSCGKSA-N -2 3 375.425 3.086 20 0 GGADHL O=C([O-])[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C1CC1 ZINC001594842656 954093931 /nfs/dbraw/zinc/09/39/31/954093931.db2.gz FOZSDEHTGJHSMD-LBPRGKRZSA-N -2 3 376.825 3.130 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2c3ncsc3ccc2Cl)CCCCCC1 ZINC001594883375 954447100 /nfs/dbraw/zinc/44/71/00/954447100.db2.gz OUMVTNLSXZHFOG-UHFFFAOYSA-N -2 3 388.898 3.406 20 0 GGADHL Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)c2)cs1 ZINC000013066929 956922534 /nfs/dbraw/zinc/92/25/34/956922534.db2.gz CGONZWLXCQFUCP-UHFFFAOYSA-N -2 3 390.442 3.323 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)ccc1O ZINC000013346458 957034288 /nfs/dbraw/zinc/03/42/88/957034288.db2.gz XDELCRRDFWGEIP-UHFFFAOYSA-N -2 3 393.751 3.146 20 0 GGADHL CCCn1ccc2cc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)ccc21 ZINC000050532993 957494818 /nfs/dbraw/zinc/49/48/18/957494818.db2.gz LVQZBCCTEUSVDZ-UHFFFAOYSA-N -2 3 388.445 3.316 20 0 GGADHL O=C([O-])Cc1sc(NC(=O)c2cc3c(cc2[O-])OCO3)nc1-c1ccccc1 ZINC000054232862 957525582 /nfs/dbraw/zinc/52/55/82/957525582.db2.gz ORHWECNAXKFYKT-UHFFFAOYSA-N -2 3 398.396 3.124 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c2cccnc12 ZINC000055612327 957548788 /nfs/dbraw/zinc/54/87/88/957548788.db2.gz WLJGLIOUPHDQIP-UHFFFAOYSA-N -2 3 394.355 3.021 20 0 GGADHL Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)c(Br)c1 ZINC001594307036 957978100 /nfs/dbraw/zinc/97/81/00/957978100.db2.gz CTZBBDDISMCSEL-SECBINFHSA-N -2 3 398.706 3.046 20 0 GGADHL Cc1cc(Cl)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)c(Br)c1 ZINC001594307814 957983931 /nfs/dbraw/zinc/98/39/31/957983931.db2.gz VQLOOGIWMUIGHK-UHFFFAOYSA-N -2 3 396.690 3.087 20 0 GGADHL CCC(CC)(CC)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000391110589 972317807 /nfs/dbraw/zinc/31/78/07/972317807.db2.gz ZTUSAMHWJRIVSJ-UHFFFAOYSA-N -2 3 382.276 3.235 20 0 GGADHL C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001603236991 972376392 /nfs/dbraw/zinc/37/63/92/972376392.db2.gz UUGOPUCPVYVREC-BYPYZUCNSA-N -2 3 395.700 3.197 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1Br ZINC000153668554 959038421 /nfs/dbraw/zinc/03/84/21/959038421.db2.gz PNWMSGKKOMSBCD-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)C2CC2)n1 ZINC000185065404 959495469 /nfs/dbraw/zinc/49/54/69/959495469.db2.gz AAKAIJQPQRQICD-CQSZACIVSA-N -2 3 384.454 3.027 20 0 GGADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3F)CCCC2)n1 ZINC000185025205 959495965 /nfs/dbraw/zinc/49/59/65/959495965.db2.gz AZFQTZWCUNEGLX-UHFFFAOYSA-N -2 3 398.481 3.345 20 0 GGADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000185987114 959500277 /nfs/dbraw/zinc/50/02/77/959500277.db2.gz IDPCQSHXMSBYFE-GFCCVEGCSA-N -2 3 391.342 3.148 20 0 GGADHL Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000190374605 959512613 /nfs/dbraw/zinc/51/26/13/959512613.db2.gz BNJVJVMCKKBVOM-UHFFFAOYSA-N -2 3 391.836 3.333 20 0 GGADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000232210205 960253705 /nfs/dbraw/zinc/25/37/05/960253705.db2.gz YLBWEPLMWWPTRI-UHFFFAOYSA-N -2 3 394.243 3.457 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1C(=O)[O-] ZINC001184695693 960517836 /nfs/dbraw/zinc/51/78/36/960517836.db2.gz DHXJKXOGPSXMCX-UHFFFAOYSA-N -2 3 382.441 3.480 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2ccc3[nH]ccc3c2)c(F)cc1Cl ZINC001238801252 960632375 /nfs/dbraw/zinc/63/23/75/960632375.db2.gz QJNNBYZMAYZOJU-UHFFFAOYSA-N -2 3 396.827 3.180 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCc2cccs2)c(F)cc1Cl ZINC001259221930 960684559 /nfs/dbraw/zinc/68/45/59/960684559.db2.gz AGGKWGOCGJGFBE-UHFFFAOYSA-N -2 3 377.846 3.150 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCc2ccccc2F)c(F)cc1Cl ZINC001259222712 960687021 /nfs/dbraw/zinc/68/70/21/960687021.db2.gz CRMFSSAIPROZOR-UHFFFAOYSA-N -2 3 389.807 3.228 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)c1c(F)cccc1F ZINC001259224371 960690453 /nfs/dbraw/zinc/69/04/53/960690453.db2.gz DODOAYAJGRWTHV-ZETCQYMHSA-N -2 3 393.770 3.495 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)c(F)cc1Cl ZINC001259224905 960690542 /nfs/dbraw/zinc/69/05/42/960690542.db2.gz UTSPHMWGVJLYAS-OAHLLOKOSA-N -2 3 384.816 3.002 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCCc2ccccc2)c(F)cc1Cl ZINC001259224979 960690816 /nfs/dbraw/zinc/69/08/16/960690816.db2.gz VXIJVGZYWPVAGI-UHFFFAOYSA-N -2 3 385.844 3.479 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CC2)c(F)cc1Cl ZINC001259224732 960691057 /nfs/dbraw/zinc/69/10/57/960691057.db2.gz OGHCWQXRHNDNCJ-UHFFFAOYSA-N -2 3 387.791 3.284 20 0 GGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(-n3cccc3)ccc2F)c1 ZINC001319000600 960920411 /nfs/dbraw/zinc/92/04/11/960920411.db2.gz HFDOVIIIKRNMOD-UHFFFAOYSA-N -2 3 378.356 3.255 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)s1 ZINC001588727170 961075752 /nfs/dbraw/zinc/07/57/52/961075752.db2.gz GWABNNODTOLAQM-GFCCVEGCSA-N -2 3 395.412 3.185 20 0 GGADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC001573942381 961615249 /nfs/dbraw/zinc/61/52/49/961615249.db2.gz GQKRBDMAIFGPMO-ZANVPECISA-N -2 3 388.898 3.241 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)CC(=O)[O-] ZINC001588898690 962238671 /nfs/dbraw/zinc/23/86/71/962238671.db2.gz VSIGRSOBLOLADY-ZDUSSCGKSA-N -2 3 382.507 3.225 20 0 GGADHL Cc1nc(C=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)[n-]c(=O)c1CC(=O)[O-] ZINC001345366821 962266860 /nfs/dbraw/zinc/26/68/60/962266860.db2.gz GUOZIDVXQVOAFU-VQHVLOKHSA-N -3 3 380.356 3.246 20 0 GGADHL O=C([O-])C1(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)CCCCCC1 ZINC001574641060 962353813 /nfs/dbraw/zinc/35/38/13/962353813.db2.gz MBNPDMPBRWNNAC-UHFFFAOYSA-N -2 3 379.420 3.384 20 0 GGADHL O=C([O-])CC[C@@H]1Cc2ccccc2N(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC001574693275 962658903 /nfs/dbraw/zinc/65/89/03/962658903.db2.gz HSYHDEWFPCZMNC-CQSZACIVSA-N -2 3 379.416 3.486 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c(C)c1CC(=O)[O-] ZINC000272751754 962785473 /nfs/dbraw/zinc/78/54/73/962785473.db2.gz MEFWUGTZIAZXMD-UHFFFAOYSA-N -3 3 391.445 3.046 20 0 GGADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)c1 ZINC001573345205 962929045 /nfs/dbraw/zinc/92/90/45/962929045.db2.gz LCWMTWNBJPWMHM-MCMMXHMISA-N -2 3 394.427 3.124 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Br)cc2F)CCCCCC1 ZINC000317626560 970374196 /nfs/dbraw/zinc/37/41/96/970374196.db2.gz UTKUNPNMXGASRY-UHFFFAOYSA-N -2 3 394.262 3.044 20 0 GGADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCCCC1 ZINC001605961587 972932253 /nfs/dbraw/zinc/93/22/53/972932253.db2.gz GTHDAAXNBNFVDX-UHFFFAOYSA-N -2 3 396.690 3.168 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])sc1Br ZINC001605219932 972969866 /nfs/dbraw/zinc/96/98/66/972969866.db2.gz WMLHSIICRZNWOQ-VIFPVBQESA-N -2 3 398.344 3.377 20 0 GGADHL O=C([O-])[C@H]1CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c2ccccc21 ZINC001606025417 973119705 /nfs/dbraw/zinc/11/97/05/973119705.db2.gz DQQDMZWDPWWADQ-LBPRGKRZSA-N -2 3 384.338 3.025 20 0 GGADHL O=C([O-])C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000405231857 973794605 /nfs/dbraw/zinc/79/46/05/973794605.db2.gz WLKJNIWAWDCMBX-GZMMTYOYSA-N -2 3 396.690 3.024 20 0 GGADHL COc1cc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)ccc1C(=O)[O-] ZINC000432780412 974095355 /nfs/dbraw/zinc/09/53/55/974095355.db2.gz NLCPSFWTBWEHFG-UHFFFAOYSA-N -2 3 379.434 3.229 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)cc1 ZINC000466327582 974189102 /nfs/dbraw/zinc/18/91/02/974189102.db2.gz YNVOSHFOXOMNPU-UHFFFAOYSA-N -2 3 389.351 3.435 20 0 GGADHL Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466339693 974189180 /nfs/dbraw/zinc/18/91/80/974189180.db2.gz IWNWTOVAEBUWNX-UHFFFAOYSA-N -2 3 390.461 3.397 20 0 GGADHL Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)c2)n1 ZINC000466337204 974189401 /nfs/dbraw/zinc/18/94/01/974189401.db2.gz KMXVLPGWEWCVRL-UHFFFAOYSA-N -2 3 385.445 3.297 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000466353754 974190612 /nfs/dbraw/zinc/19/06/12/974190612.db2.gz OSICZBYEEDTFLE-UHFFFAOYSA-N -2 3 375.446 3.421 20 0 GGADHL CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1 ZINC000475826461 974203077 /nfs/dbraw/zinc/20/30/77/974203077.db2.gz CIJAHBYTNYHAFH-UHFFFAOYSA-N -2 3 397.836 3.440 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000507632859 974278309 /nfs/dbraw/zinc/27/83/09/974278309.db2.gz BZNHMSYUCVNDLT-LLVKDONJSA-N -3 3 395.458 3.059 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000507638982 974278326 /nfs/dbraw/zinc/27/83/26/974278326.db2.gz VAGHYOVHOYMAHJ-LLVKDONJSA-N -3 3 395.458 3.059 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000507904109 974279635 /nfs/dbraw/zinc/27/96/35/974279635.db2.gz IPDWHTHKQQGEDP-LLVKDONJSA-N -3 3 377.418 3.072 20 0 GGADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000511687350 974285210 /nfs/dbraw/zinc/28/52/10/974285210.db2.gz LSGYXHOHFLKEOB-CYBMUJFWSA-N -2 3 379.434 3.128 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC000512776414 974288624 /nfs/dbraw/zinc/28/86/24/974288624.db2.gz NOUPKMTUGDZYFE-UHFFFAOYSA-N -3 3 391.445 3.165 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1C(=O)OC(C)C ZINC000519645808 974332524 /nfs/dbraw/zinc/33/25/24/974332524.db2.gz YNVCGQGQVFFHFO-UHFFFAOYSA-N -2 3 391.445 3.368 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC000542741111 974416113 /nfs/dbraw/zinc/41/61/13/974416113.db2.gz YKYWYFJWCIDLDZ-GFCCVEGCSA-N -3 3 391.445 3.066 20 0 GGADHL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1)C(=O)[O-] ZINC000542736570 974416203 /nfs/dbraw/zinc/41/62/03/974416203.db2.gz ZEJDLGFBWLOGOV-CHWSQXEVSA-N -2 3 375.446 3.074 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC000542741115 974416694 /nfs/dbraw/zinc/41/66/94/974416694.db2.gz YKYWYFJWCIDLDZ-LBPRGKRZSA-N -3 3 391.445 3.066 20 0 GGADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccccc1F ZINC000547865873 974443337 /nfs/dbraw/zinc/44/33/37/974443337.db2.gz XIMULLSCESBYKF-HNNXBMFYSA-N -2 3 381.356 3.124 20 0 GGADHL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC000547936124 974452441 /nfs/dbraw/zinc/45/24/41/974452441.db2.gz AEUROSOIRDPYIJ-UHFFFAOYSA-N -2 3 383.372 3.303 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1C ZINC000551945075 974479073 /nfs/dbraw/zinc/47/90/73/974479073.db2.gz IZAPFXBSIYIWPX-UHFFFAOYSA-N -2 3 379.434 3.048 20 0 GGADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)c1 ZINC000576510712 974816579 /nfs/dbraw/zinc/81/65/79/974816579.db2.gz JJVVGNXCLKVRRE-UHFFFAOYSA-N -2 3 398.440 3.089 20 0 GGADHL COc1ccc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000643203201 975301064 /nfs/dbraw/zinc/30/10/64/975301064.db2.gz JVCPNXSZMQYQCN-UHFFFAOYSA-N -2 3 389.351 3.354 20 0 GGADHL CC(C)Oc1c(F)cc([N-]S(=O)(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1F ZINC001591741406 975753586 /nfs/dbraw/zinc/75/35/86/975753586.db2.gz XNXFTNUQGCKEEY-CQSZACIVSA-N -2 3 399.415 3.362 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]CCCO[C@@H]2CCCc3ccccc32)oc1C(=O)[O-] ZINC000663422251 975949492 /nfs/dbraw/zinc/94/94/92/975949492.db2.gz IAZBBEVCPHNLIG-MRXNPFEDSA-N -2 3 393.461 3.049 20 0 GGADHL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1C ZINC000675093741 976012986 /nfs/dbraw/zinc/01/29/86/976012986.db2.gz ZOGPPOFEBVVGIC-UHFFFAOYSA-N -2 3 376.434 3.069 20 0 GGADHL CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])c2ccccc21 ZINC001591845873 976125167 /nfs/dbraw/zinc/12/51/67/976125167.db2.gz DLJGNQYJTBVXIY-FZMZJTMJSA-N -2 3 380.491 3.047 20 0 GGADHL C[C@@](CC(=O)[O-])(NC(=O)c1cc(Cc2ccccc2)ccc1[O-])c1ccncc1 ZINC001592302517 977651180 /nfs/dbraw/zinc/65/11/80/977651180.db2.gz AUEFSMNDODVQRZ-QHCPKHFHSA-N -2 3 390.439 3.498 20 0 GGADHL C[C@](CC(=O)[O-])([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC001592333419 977772571 /nfs/dbraw/zinc/77/25/71/977772571.db2.gz CTZSNAJDSJLYMF-CYBMUJFWSA-N -2 3 385.791 3.281 20 0 GGADHL C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001592485388 978264388 /nfs/dbraw/zinc/26/43/88/978264388.db2.gz QHVBWVARCYXFQB-ZETCQYMHSA-N -2 3 375.315 3.062 20 0 GGADHL O=C([O-])CCSCc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000739754083 978653457 /nfs/dbraw/zinc/65/34/57/978653457.db2.gz KODOGDGOWDYYAF-UHFFFAOYSA-N -2 3 382.441 3.488 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(F)c1 ZINC000757649616 978703112 /nfs/dbraw/zinc/70/31/12/978703112.db2.gz FDPFTEGQTIROHO-UHFFFAOYSA-N -2 3 378.425 3.233 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000759100571 978705275 /nfs/dbraw/zinc/70/52/75/978705275.db2.gz DAAYHAQEMXBZCE-UHFFFAOYSA-N -3 3 383.809 3.154 20 0 GGADHL CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761263189 978707537 /nfs/dbraw/zinc/70/75/37/978707537.db2.gz FXELSAOMSYEVPG-SCZZXKLOSA-N -2 3 396.328 3.456 20 0 GGADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1 ZINC000761264127 978708137 /nfs/dbraw/zinc/70/81/37/978708137.db2.gz BPFLASUULGXTCX-SFYZADRCSA-N -2 3 382.301 3.066 20 0 GGADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]C2CCC3(CC3)CC2)s1 ZINC000766052523 978724427 /nfs/dbraw/zinc/72/44/27/978724427.db2.gz PFPMWFGIQGFXOH-UHFFFAOYSA-N -2 3 394.312 3.210 20 0 GGADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC1CCCC1 ZINC000776554258 978752965 /nfs/dbraw/zinc/75/29/65/978752965.db2.gz CPCMFUGOGVZAED-LLVKDONJSA-N -2 3 397.390 3.404 20 0 GGADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CC1 ZINC000785725034 978794485 /nfs/dbraw/zinc/79/44/85/978794485.db2.gz KZHZCFHJZABKJY-BDAKNGLRSA-N -2 3 396.328 3.456 20 0 GGADHL C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CC1 ZINC000785725037 978794681 /nfs/dbraw/zinc/79/46/81/978794681.db2.gz KZHZCFHJZABKJY-IUCAKERBSA-N -2 3 396.328 3.456 20 0 GGADHL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)ccc1OC ZINC000793364167 978804596 /nfs/dbraw/zinc/80/45/96/978804596.db2.gz SLCBYAFGKRBFIT-UHFFFAOYSA-N -2 3 383.397 3.040 20 0 GGADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000793406512 978807594 /nfs/dbraw/zinc/80/75/94/978807594.db2.gz CFLQDMLEBDJCQQ-SNVBAGLBSA-N -3 3 395.408 3.211 20 0 GGADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000793412054 978808026 /nfs/dbraw/zinc/80/80/26/978808026.db2.gz OGLSBIQPDYVANY-UHFFFAOYSA-N -3 3 395.408 3.040 20 0 GGADHL COC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1C ZINC000793433707 978809718 /nfs/dbraw/zinc/80/97/18/978809718.db2.gz VQUYGAWOVCILKR-UHFFFAOYSA-N -2 3 396.396 3.120 20 0 GGADHL C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)[C@H]1C ZINC000794919566 978829115 /nfs/dbraw/zinc/82/91/15/978829115.db2.gz OGHUJSHJFZOQAI-KXUCPTDWSA-N -2 3 394.287 3.091 20 0 GGADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000798407018 978836005 /nfs/dbraw/zinc/83/60/05/978836005.db2.gz XMSGLXABVUYLAM-UHFFFAOYSA-N -2 3 396.278 3.292 20 0 GGADHL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1 ZINC000829864639 979008577 /nfs/dbraw/zinc/00/85/77/979008577.db2.gz UHCQBTOBCWWLFN-UHFFFAOYSA-N -2 3 375.446 3.391 20 0 GGADHL C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)c1ccc(F)cc1 ZINC001592722832 979227231 /nfs/dbraw/zinc/22/72/31/979227231.db2.gz LSPZAPNTHOYJIA-VIFPVBQESA-N -2 3 389.807 3.398 20 0 GGADHL O=C([O-])[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)c1nnc2ccccc2c1[O-] ZINC000836753032 979258320 /nfs/dbraw/zinc/25/83/20/979258320.db2.gz BDWKWGOUCVDOCG-RDTXWAMCSA-N -2 3 391.427 3.029 20 0 GGADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001595056853 979294545 /nfs/dbraw/zinc/29/45/45/979294545.db2.gz FSCVILGJPZHXNR-UHFFFAOYSA-N -2 3 388.795 3.066 20 0 GGADHL CCC(CC)(C[N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccc(F)cc1 ZINC001595084239 979374799 /nfs/dbraw/zinc/37/47/99/979374799.db2.gz LBVKPNNQSLUAIE-UHFFFAOYSA-N -2 3 386.470 3.017 20 0 GGADHL C[C@@H](COc1ccc(C(C)(C)C)cc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001592780976 979412847 /nfs/dbraw/zinc/41/28/47/979412847.db2.gz RBAHGCQUJBUGIH-LBPRGKRZSA-N -2 3 381.450 3.021 20 0 GGADHL CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001595213375 980006526 /nfs/dbraw/zinc/00/65/26/980006526.db2.gz QBSZPKCELPCGIE-GFCCVEGCSA-N -2 3 385.844 3.477 20 0 GGADHL CCC1(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCCC1 ZINC001595379767 980920438 /nfs/dbraw/zinc/92/04/38/980920438.db2.gz UKLLUKRDUFYDDB-UHFFFAOYSA-N -2 3 396.328 3.458 20 0 GGADHL CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001595441931 981081072 /nfs/dbraw/zinc/08/10/72/981081072.db2.gz WAESFPYXXOCFEV-KCJUWKMLSA-N -2 3 394.262 3.143 20 0 GGADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000908596030 981326513 /nfs/dbraw/zinc/32/65/13/981326513.db2.gz WPSREBXFVQBJOR-KRWDZBQOSA-N -2 3 375.396 3.195 20 0 GGADHL CCC[C@H](C)CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001595574647 981492346 /nfs/dbraw/zinc/49/23/46/981492346.db2.gz SGSBWGCFJIXHMQ-QMMMGPOBSA-N -2 3 384.317 3.313 20 0 GGADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc(Cl)c(Cl)c1 ZINC001595600145 981577957 /nfs/dbraw/zinc/57/79/57/981577957.db2.gz GMPVXYFVQWQEJZ-LLVKDONJSA-N -2 3 393.248 3.499 20 0 GGADHL CCCC1(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCC1 ZINC001595616957 981648115 /nfs/dbraw/zinc/64/81/15/981648115.db2.gz LCETWAPEJAEDQY-UHFFFAOYSA-N -2 3 396.328 3.458 20 0 GGADHL CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001594796711 981880779 /nfs/dbraw/zinc/88/07/79/981880779.db2.gz JBRDNDGDQKWMFV-MRVPVSSYSA-N -2 3 396.278 3.389 20 0 GGADHL CCC(C)(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001594801069 981893620 /nfs/dbraw/zinc/89/36/20/981893620.db2.gz ZELBBZOFDHMRJK-UHFFFAOYSA-N -2 3 396.278 3.391 20 0 GGADHL CCCC[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC001595635053 981897889 /nfs/dbraw/zinc/89/78/89/981897889.db2.gz VDGJWYWTRZGWRN-RBUKOAKNSA-N -2 3 398.459 3.013 20 0 GGADHL CCCC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(C)cc1Br)C(=O)[O-] ZINC001595640478 981963050 /nfs/dbraw/zinc/96/30/50/981963050.db2.gz GVGFEAGKWYATNG-NSHDSACASA-N -2 3 398.706 3.333 20 0 GGADHL CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)c1nccs1 ZINC001594853199 982109107 /nfs/dbraw/zinc/10/91/07/982109107.db2.gz LESKZBUYGJOUPA-AWEZNQCLSA-N -2 3 392.861 3.238 20 0 GGADHL CC[C@](C)([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C1CC1 ZINC001594853699 982116008 /nfs/dbraw/zinc/11/60/08/982116008.db2.gz HIBFNHXEFKJGJD-LBPRGKRZSA-N -2 3 382.301 3.066 20 0 GGADHL CCCCC[C@@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C(=O)[O-] ZINC001595683151 982169569 /nfs/dbraw/zinc/16/95/69/982169569.db2.gz KJNRUJCBTZVPMR-SNVBAGLBSA-N -2 3 376.887 3.262 20 0 GGADHL CCCCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC001595683366 982171424 /nfs/dbraw/zinc/17/14/24/982171424.db2.gz PSQSQXGZLPHGER-NSHDSACASA-N -2 3 398.706 3.414 20 0 GGADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-])C(F)(F)F ZINC001594919467 982456493 /nfs/dbraw/zinc/45/64/93/982456493.db2.gz AMGVECKUWZCZRX-XPTSAGLGSA-N -2 3 390.383 3.188 20 0 GGADHL CCCCOc1ccc(C(=O)N2CCOc3c(cccc3C(=O)[O-])C2)c([O-])c1 ZINC001595774500 982532198 /nfs/dbraw/zinc/53/21/98/982532198.db2.gz VDVKZJHLIXHLIH-UHFFFAOYSA-N -2 3 385.416 3.304 20 0 GGADHL CCCCOc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c([O-])c1 ZINC001595776900 982545882 /nfs/dbraw/zinc/54/58/82/982545882.db2.gz MJCZBHHVXAJFSR-QGZVFWFLSA-N -2 3 375.396 3.308 20 0 GGADHL CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001594934540 982579550 /nfs/dbraw/zinc/57/95/50/982579550.db2.gz LGSZPKURCREPHI-YUMQZZPRSA-N -2 3 384.317 3.312 20 0 GGADHL CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001594934532 982580150 /nfs/dbraw/zinc/58/01/50/982580150.db2.gz KYBCCHAUKKEBAL-DTWKUNHWSA-N -2 3 396.278 3.389 20 0 GGADHL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001595941595 983094846 /nfs/dbraw/zinc/09/48/46/983094846.db2.gz GFYHAMJEXQJSBX-UHFFFAOYSA-N -2 3 399.371 3.031 20 0 GGADHL CCCc1c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)[nH]c(C)c1C(=O)[O-] ZINC001596045574 983334882 /nfs/dbraw/zinc/33/48/82/983334882.db2.gz RWDSWDUUTYGVPA-UHFFFAOYSA-N -2 3 394.431 3.285 20 0 GGADHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)cc1 ZINC001596292033 983711456 /nfs/dbraw/zinc/71/14/56/983711456.db2.gz BKARCVDYCHJXAL-UHFFFAOYSA-N -2 3 380.441 3.100 20 0 GGADHL CC(=O)c1ccc(C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1[O-] ZINC001589275615 985984710 /nfs/dbraw/zinc/98/47/10/985984710.db2.gz IMMJVNJZCBNGJZ-LJQANCHMSA-N -2 3 391.423 3.421 20 0 GGADHL Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001599970785 986002535 /nfs/dbraw/zinc/00/25/35/986002535.db2.gz CQZAMFOGZDPGKG-UHFFFAOYSA-N -2 3 380.194 3.179 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)cc1Cl ZINC001597126031 986834872 /nfs/dbraw/zinc/83/48/72/986834872.db2.gz PHDSQWFZZIRDDA-UHFFFAOYSA-N -2 3 399.852 3.393 20 0 GGADHL C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001594654437 986884613 /nfs/dbraw/zinc/88/46/13/986884613.db2.gz DZIOYUMRRYIVPI-BMIGLBTASA-N -2 3 389.454 3.400 20 0 GGADHL CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c1 ZINC001594716743 987189853 /nfs/dbraw/zinc/18/98/53/987189853.db2.gz CONPFCZVSYLSAR-UHFFFAOYSA-N -2 3 382.825 3.135 20 0 GGADHL CC(C)(C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccccc1 ZINC001589600961 987424001 /nfs/dbraw/zinc/42/40/01/987424001.db2.gz BHBWRUGRXXDZNU-ZDUSSCGKSA-N -2 3 386.832 3.005 20 0 GGADHL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001589611957 987470244 /nfs/dbraw/zinc/47/02/44/987470244.db2.gz KIHMQDTVUHSJDK-LLVKDONJSA-N -2 3 376.840 3.145 20 0 GGADHL CCc1cc(=O)[n-]c(-c2ccc(N3CCc4c(cccc4C(=O)[O-])C3)nc2)n1 ZINC001597421394 987739866 /nfs/dbraw/zinc/73/98/66/987739866.db2.gz OBALLHXDQODXLV-UHFFFAOYSA-N -2 3 376.416 3.068 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccsc3CC(=O)[O-])c2)n1 ZINC001597421774 987743084 /nfs/dbraw/zinc/74/30/84/987743084.db2.gz XVTNAZVWNLEPCF-UHFFFAOYSA-N -2 3 383.429 3.353 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)c2)n1 ZINC001597421806 987743422 /nfs/dbraw/zinc/74/34/22/987743422.db2.gz ZGDDPRFTXZEVTG-UHFFFAOYSA-N -2 3 380.404 3.307 20 0 GGADHL CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001589699471 987785775 /nfs/dbraw/zinc/78/57/75/987785775.db2.gz FTGJBGAJOXUETB-UHFFFAOYSA-N -2 3 384.317 3.312 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)s1 ZINC001590319302 989754817 /nfs/dbraw/zinc/75/48/17/989754817.db2.gz BACDGEGJCXGADX-VIFPVBQESA-N -2 3 397.478 3.497 20 0 GGADHL CC(C)(C)OC(=O)N=c1[n-]cc(-c2nc(-c3cc(C(=O)[O-])co3)no2)s1 ZINC001590319788 989757868 /nfs/dbraw/zinc/75/78/68/989757868.db2.gz OAZQXDURYHFXDX-UHFFFAOYSA-N -2 3 378.366 3.498 20 0 GGADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc(SCCC(=O)[O-])c2)no1 ZINC001590464307 990041348 /nfs/dbraw/zinc/04/13/48/990041348.db2.gz ZRGMCSWCCSWTSH-UHFFFAOYSA-N -2 3 398.506 3.481 20 0 GGADHL CC(C)([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-])C(F)(F)F ZINC001590879308 990792684 /nfs/dbraw/zinc/79/26/84/990792684.db2.gz WTUBTQURQARPNF-UHFFFAOYSA-N -2 3 379.278 3.023 20 0 GGADHL CC(C)C([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C(C)C ZINC001591032944 991343496 /nfs/dbraw/zinc/34/34/96/991343496.db2.gz HKCSFJWVITYAAK-UHFFFAOYSA-N -2 3 396.278 3.245 20 0 GGADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1cccc(C(F)(F)F)c1 ZINC001591034067 991351540 /nfs/dbraw/zinc/35/15/40/991351540.db2.gz YOHMKNSBWIGKDQ-CYBMUJFWSA-N -2 3 392.355 3.067 20 0 GGADHL CC(C)C([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C(C)C ZINC001591036872 991367181 /nfs/dbraw/zinc/36/71/81/991367181.db2.gz ZHYOBIUIJNQCLG-UHFFFAOYSA-N -2 3 384.317 3.168 20 0 GGADHL COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001599719047 991505615 /nfs/dbraw/zinc/50/56/15/991505615.db2.gz CHSMXYQVRPNPQT-IINYFYTJSA-N -2 3 399.827 3.020 20 0 GGADHL CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC001591089356 991632802 /nfs/dbraw/zinc/63/28/02/991632802.db2.gz WMJNDWJUTKKAAP-NXEZZACHSA-N -2 3 394.287 3.233 20 0 GGADHL CC(C)CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2Br)CC1 ZINC001591198167 992024300 /nfs/dbraw/zinc/02/43/00/992024300.db2.gz ZGSKHWMZXLUTPT-UHFFFAOYSA-N -2 3 394.262 3.143 20 0 GGADHL COc1ccc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c(OCc2ccccc2)c1 ZINC001599597954 993773628 /nfs/dbraw/zinc/77/36/28/993773628.db2.gz JMNDGMDOSOQKQD-UHFFFAOYSA-N -2 3 393.461 3.127 20 0 GGADHL COc1cccc(-c2cc(C(=O)[N-]c3c(F)c(OC)ccc3C(=O)[O-])on2)c1 ZINC001599639290 994334835 /nfs/dbraw/zinc/33/48/35/994334835.db2.gz NLYQMGIDNITVDG-UHFFFAOYSA-N -2 3 386.335 3.448 20 0 GGADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)[C@]12C[C@H]1CCCC2 ZINC001593331281 994901015 /nfs/dbraw/zinc/90/10/15/994901015.db2.gz WEECGFLQUWFJJE-IEVXNVSRSA-N -2 3 375.849 3.424 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC001593347964 994962661 /nfs/dbraw/zinc/96/26/61/994962661.db2.gz VTBYJDSYEYXGHJ-SECBINFHSA-N -2 3 395.487 3.004 20 0 GGADHL CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCS1 ZINC001593859823 996651932 /nfs/dbraw/zinc/65/19/32/996651932.db2.gz KKWCKDGTSKSVAT-QMMMGPOBSA-N -2 3 381.878 3.130 20 0 GGADHL CC1(C)CC[C@H](CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)OC1 ZINC001593877280 996699686 /nfs/dbraw/zinc/69/96/86/996699686.db2.gz XKEIIBPTSUTPCM-SNVBAGLBSA-N -2 3 393.864 3.051 20 0 GGADHL CC1(C)CCC[C@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001593903318 996772324 /nfs/dbraw/zinc/77/23/24/996772324.db2.gz PXJNOZSNGMCUMF-QMMMGPOBSA-N -2 3 396.328 3.313 20 0 GGADHL CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC001593903500 996774117 /nfs/dbraw/zinc/77/41/17/996774117.db2.gz CJZOGCZSTBZGTA-SNVBAGLBSA-N -2 3 396.328 3.456 20 0 GGADHL COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC(F)(F)F)cc2)c([O-])c1 ZINC001599484228 996818119 /nfs/dbraw/zinc/81/81/19/996818119.db2.gz ZSAXZJDDCWTIPL-AWEZNQCLSA-N -2 3 399.321 3.245 20 0 GGADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(C)=O)ccc1Cl ZINC001599382889 996888038 /nfs/dbraw/zinc/88/80/38/996888038.db2.gz LPNSRXCQHBCHHS-UHFFFAOYSA-N -2 3 383.809 3.050 20 0 GGADHL COc1cc(CN(CC(=O)[O-])C(=O)c2ccc(C(C)C)cc2[O-])cc(OC)c1 ZINC001599405082 997282667 /nfs/dbraw/zinc/28/26/67/997282667.db2.gz OCVTYMQGRQDDDB-UHFFFAOYSA-N -2 3 387.432 3.260 20 0 GGADHL COc1cc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1F ZINC001599423679 997636661 /nfs/dbraw/zinc/63/66/61/997636661.db2.gz AMHYRIAYRZUSJM-MRXNPFEDSA-N -2 3 399.415 3.104 20 0 GGADHL C[C@]1([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCCC[C@@H]1C(=O)[O-] ZINC001594066044 997877241 /nfs/dbraw/zinc/87/72/41/997877241.db2.gz NFZXHKONYGELSA-OTYXRUKQSA-N -2 3 399.362 3.036 20 0 GGADHL COc1cc(-c2nc3ccc(Br)cc3c(=O)[n-]2)ccc1C(=O)[O-] ZINC001599346415 998014849 /nfs/dbraw/zinc/01/48/49/998014849.db2.gz DMHOKVFFJYLCCG-UHFFFAOYSA-N -2 3 375.178 3.472 20 0 GGADHL COc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)ccc1C(=O)[O-] ZINC001599460214 998261246 /nfs/dbraw/zinc/26/12/46/998261246.db2.gz VDPKLBRLVFVPNF-UHFFFAOYSA-N -2 3 393.314 3.352 20 0 GGADHL COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]C(C)(C)c1cc(C(=O)[O-])on1 ZINC001599580157 998515804 /nfs/dbraw/zinc/51/58/04/998515804.db2.gz VKTSIWCBALZKRH-UHFFFAOYSA-N -2 3 388.754 3.178 20 0 GGADHL C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)C[C@H](C)O1 ZINC001594235371 998894870 /nfs/dbraw/zinc/89/48/70/998894870.db2.gz GHKDIEOJKOSEJA-JGPRNRPPSA-N -2 3 393.864 3.049 20 0 GGADHL C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2Br)C1 ZINC001594309414 999194647 /nfs/dbraw/zinc/19/46/47/999194647.db2.gz WWTJZCSWZAWFOV-RKDXNWHRSA-N -2 3 394.262 3.001 20 0 GGADHL C[C@H]1CC[C@]([N-]S(=O)(=O)c2c(F)cccc2F)(C(=O)[O-])c2ccccc21 ZINC001594326940 999257096 /nfs/dbraw/zinc/25/70/96/999257096.db2.gz QYGQFHUEGQGWPW-BBATYDOGSA-N -2 3 381.400 3.121 20 0 GGADHL C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001594372297 999405982 /nfs/dbraw/zinc/40/59/82/999405982.db2.gz UJOOSZAZVGQOIO-MFKMUULPSA-N -2 3 393.864 3.051 20 0 GGADHL COCCCn1c(=O)c2ccc(C(=O)Nc3ccc(C)cc3[O-])cc2[n-]c1=S ZINC000012737917 221222362 /nfs/dbraw/zinc/22/23/62/221222362.db2.gz WPKMOPRWFPINJM-UHFFFAOYSA-N -2 3 399.472 3.362 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1Br ZINC000012946733 221250460 /nfs/dbraw/zinc/25/04/60/221250460.db2.gz PDDPVJJXHDVTQJ-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000013348864 221265986 /nfs/dbraw/zinc/26/59/86/221265986.db2.gz MVDSGAIJBCYBCM-UHFFFAOYSA-N -2 3 375.324 3.393 20 0 GGADHL CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000013278674 221264328 /nfs/dbraw/zinc/26/43/28/221264328.db2.gz HOAZGGFHAPVZSM-YRNVUSSQSA-N -2 3 389.429 3.070 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)cc1 ZINC000072312971 222224496 /nfs/dbraw/zinc/22/44/96/222224496.db2.gz GHSYYHKDJAAMQX-UHFFFAOYSA-N -2 3 383.385 3.322 20 0 GGADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000569443682 567404922 /nfs/dbraw/zinc/40/49/22/567404922.db2.gz NWXQDEXMLVJLBL-MRVPVSSYSA-N -2 3 384.679 3.024 20 0 GGADHL O=C(Nc1ccc([O-])cc1F)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000119489437 564273074 /nfs/dbraw/zinc/27/30/74/564273074.db2.gz CSZUSSSZTGAVRH-UHFFFAOYSA-N -2 3 377.169 3.388 20 0 GGADHL C[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000022993257 564320954 /nfs/dbraw/zinc/32/09/54/564320954.db2.gz DYLQNJKXZZQHJT-QMTHXVAHSA-N -2 3 380.853 3.441 20 0 GGADHL C[C@@H]1C[C@@H]1C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000022993253 564321135 /nfs/dbraw/zinc/32/11/35/564321135.db2.gz DYLQNJKXZZQHJT-YGRLFVJLSA-N -2 3 380.853 3.441 20 0 GGADHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000032595876 564403762 /nfs/dbraw/zinc/40/37/62/564403762.db2.gz YTFJEZVUYDJBSK-UHFFFAOYSA-N -2 3 382.507 3.057 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000036413005 564417778 /nfs/dbraw/zinc/41/77/78/564417778.db2.gz DHEFCKXYXCIOPH-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000036833094 564419505 /nfs/dbraw/zinc/41/95/05/564419505.db2.gz HVTYRFFWHNHBNE-ZDUSSCGKSA-N -2 3 382.507 3.372 20 0 GGADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)c1C ZINC000036833118 564419771 /nfs/dbraw/zinc/41/97/71/564419771.db2.gz BVVJWMCIYVGBGG-UHFFFAOYSA-N -2 3 382.507 3.093 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccccc1Br)c1cccs1 ZINC000040428893 564427135 /nfs/dbraw/zinc/42/71/35/564427135.db2.gz PULZJFIIYXOWRL-SNVBAGLBSA-N -2 3 390.280 3.005 20 0 GGADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000057115602 564660027 /nfs/dbraw/zinc/66/00/27/564660027.db2.gz XARNZXXCHXVCFW-UHFFFAOYSA-N -2 3 390.244 3.430 20 0 GGADHL CCN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000132323409 564740856 /nfs/dbraw/zinc/74/08/56/564740856.db2.gz HCBVGYUONGSQHA-UHFFFAOYSA-N -2 3 382.869 3.328 20 0 GGADHL CCSc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c1 ZINC000071091783 564855244 /nfs/dbraw/zinc/85/52/44/564855244.db2.gz PIOHSHUOOWPSFP-UHFFFAOYSA-N -2 3 381.475 3.371 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)C(C)C)c(F)c2)cc1 ZINC000137187524 564859284 /nfs/dbraw/zinc/85/92/84/564859284.db2.gz YXZOAKRQANIKSO-UHFFFAOYSA-N -2 3 386.470 3.085 20 0 GGADHL Cc1cscc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000137703698 564863989 /nfs/dbraw/zinc/86/39/89/564863989.db2.gz ZTOILELMWQWUQN-UHFFFAOYSA-N -2 3 392.499 3.147 20 0 GGADHL CSc1ncc(Cl)c(C(=O)[N-]c2n[n-]c(-c3c(F)cccc3F)n2)n1 ZINC000530883601 564897067 /nfs/dbraw/zinc/89/70/67/564897067.db2.gz DOROPWLEKYHVHI-UHFFFAOYSA-N -2 3 382.783 3.168 20 0 GGADHL O=S(=O)(CCOc1ccc(F)cc1)[N-]c1cc(Br)ccc1[O-] ZINC000153993814 565021071 /nfs/dbraw/zinc/02/10/71/565021071.db2.gz BEHGUQAIOREOOJ-UHFFFAOYSA-N -2 3 390.230 3.115 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cs1 ZINC000113250387 565068867 /nfs/dbraw/zinc/06/88/67/565068867.db2.gz VLYOGPYXDVYHSN-UHFFFAOYSA-N -2 3 380.216 3.149 20 0 GGADHL Cc1ccc(C(=O)NCCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c([O-])c1 ZINC000183609628 565082100 /nfs/dbraw/zinc/08/21/00/565082100.db2.gz ZXEYULYNTCBDTR-UHFFFAOYSA-N -2 3 383.231 3.472 20 0 GGADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)o1 ZINC000291987664 565089702 /nfs/dbraw/zinc/08/97/02/565089702.db2.gz VYURUWVCPFLHKZ-UHFFFAOYSA-N -2 3 393.248 3.029 20 0 GGADHL CC[C@@H](C)CO[N-]C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000292590188 565123715 /nfs/dbraw/zinc/12/37/15/565123715.db2.gz CXBCNXWDEKCVLF-LLVKDONJSA-N -2 3 384.483 3.043 20 0 GGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000184898196 565164789 /nfs/dbraw/zinc/16/47/89/565164789.db2.gz XHMZOQSJLMFFDZ-VHSXEESVSA-N -2 3 383.363 3.232 20 0 GGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1)c1nc(C)cs1 ZINC000185008634 565171882 /nfs/dbraw/zinc/17/18/82/565171882.db2.gz XBWJNEUWPAMLLL-LLVKDONJSA-N -2 3 392.861 3.372 20 0 GGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C2CC2)n1 ZINC000185065273 565174869 /nfs/dbraw/zinc/17/48/69/565174869.db2.gz AARSCQMAIARPBW-CYBMUJFWSA-N -2 3 386.882 3.233 20 0 GGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)C2CC2)n1 ZINC000185063579 565175518 /nfs/dbraw/zinc/17/55/18/565175518.db2.gz NBRSBPAAAMKNAH-AWEZNQCLSA-N -2 3 384.454 3.027 20 0 GGADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)C2CC2)n1 ZINC000185065180 565175633 /nfs/dbraw/zinc/17/56/33/565175633.db2.gz NWROAJDMNQWGAT-OAHLLOKOSA-N -2 3 380.491 3.196 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000185987322 565234253 /nfs/dbraw/zinc/23/42/53/565234253.db2.gz COKUWVAXUDBFMQ-LLVKDONJSA-N -2 3 379.381 3.071 20 0 GGADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC000295932303 565293995 /nfs/dbraw/zinc/29/39/95/565293995.db2.gz KJWBETFANNQVJG-UHFFFAOYSA-N -2 3 380.491 3.045 20 0 GGADHL Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000188328678 565395559 /nfs/dbraw/zinc/39/55/59/565395559.db2.gz MIDGINNLVWGERC-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000388223531 565550362 /nfs/dbraw/zinc/55/03/62/565550362.db2.gz XFGVKXSTTADYTH-NXEZZACHSA-N -2 3 396.278 3.146 20 0 GGADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000389219500 565553590 /nfs/dbraw/zinc/55/35/90/565553590.db2.gz DYMQZROTFYAXBU-ZJUUUORDSA-N -2 3 396.278 3.146 20 0 GGADHL Cc1oc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1C(=O)[O-] ZINC000392299230 565564410 /nfs/dbraw/zinc/56/44/10/565564410.db2.gz YUCCJSCTJJYHQI-UHFFFAOYSA-N -2 3 397.758 3.437 20 0 GGADHL CCn1cc(S(=O)(=O)[N-]c2ccc(C)cc2Br)cc1C(=O)[O-] ZINC000315213296 565589118 /nfs/dbraw/zinc/58/91/18/565589118.db2.gz NYUPWJSUSHFVAO-UHFFFAOYSA-N -2 3 387.255 3.078 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(Br)c1 ZINC000316703523 565592990 /nfs/dbraw/zinc/59/29/90/565592990.db2.gz CMAWTRXJJCXNKC-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1cccs1 ZINC000317995491 565595881 /nfs/dbraw/zinc/59/58/81/565595881.db2.gz GPWNZCHLQRZQAL-NSHDSACASA-N -2 3 384.237 3.298 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cc1F ZINC000319457385 565599617 /nfs/dbraw/zinc/59/96/17/565599617.db2.gz AYAUOQDTXSNXTE-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)c1Cl ZINC000321745335 565606578 /nfs/dbraw/zinc/60/65/78/565606578.db2.gz VBDKDJROFXFRQK-UHFFFAOYSA-N -2 3 378.233 3.380 20 0 GGADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)o1 ZINC000325353610 565621448 /nfs/dbraw/zinc/62/14/48/565621448.db2.gz AVEXIISDZDHZJO-UHFFFAOYSA-N -2 3 383.731 3.129 20 0 GGADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCCC1 ZINC000325880641 565622167 /nfs/dbraw/zinc/62/21/67/565622167.db2.gz NXXAFZYRLNDBNM-UHFFFAOYSA-N -2 3 385.791 3.282 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000327358385 565629286 /nfs/dbraw/zinc/62/92/86/565629286.db2.gz WJAITJOLCURXIX-UHFFFAOYSA-N -2 3 375.324 3.393 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C(=O)[O-])c1 ZINC000327316626 565629651 /nfs/dbraw/zinc/62/96/51/565629651.db2.gz SRUKWIHDNFNMHJ-UHFFFAOYSA-N -2 3 375.324 3.393 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])sc1Cl ZINC000327506025 565630516 /nfs/dbraw/zinc/63/05/16/565630516.db2.gz HRFIZYJJRZPERV-ZDUSSCGKSA-N -2 3 398.893 3.165 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cs1 ZINC000191879588 565639113 /nfs/dbraw/zinc/63/91/13/565639113.db2.gz YIKAYEJUMTUAGB-UHFFFAOYSA-N -2 3 398.206 3.288 20 0 GGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000174670748 565651359 /nfs/dbraw/zinc/65/13/59/565651359.db2.gz XFKNKLUMBGWHFS-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL CC(C)Sc1nc([N-]S(=O)(=O)Cc2ccc(Br)cc2)n[n-]1 ZINC000194593755 565825267 /nfs/dbraw/zinc/82/52/67/565825267.db2.gz DWHHZRIPKTVXMW-UHFFFAOYSA-N -2 3 391.316 3.010 20 0 GGADHL CSCC1CCC([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)CC1 ZINC000414324952 565910946 /nfs/dbraw/zinc/91/09/46/565910946.db2.gz JLTCZQFOHOBKHC-UHFFFAOYSA-N -2 3 375.487 3.032 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2Br)sc1C(=O)[O-] ZINC000227782389 565923264 /nfs/dbraw/zinc/92/32/64/565923264.db2.gz GWWPHKKKLINPBV-UHFFFAOYSA-N -2 3 394.243 3.457 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cs1 ZINC000229583137 565926145 /nfs/dbraw/zinc/92/61/45/565926145.db2.gz UAEKDYOHQLGUSJ-UHFFFAOYSA-N -2 3 380.216 3.149 20 0 GGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000229583544 565926260 /nfs/dbraw/zinc/92/62/60/565926260.db2.gz TYFWNIRBXMALAQ-UHFFFAOYSA-N -2 3 394.243 3.457 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000232611110 565932808 /nfs/dbraw/zinc/93/28/08/565932808.db2.gz WTWSIMWVLGZOBZ-SECBINFHSA-N -2 3 398.706 3.128 20 0 GGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)CCC1 ZINC000236428679 565938167 /nfs/dbraw/zinc/93/81/67/565938167.db2.gz PLHXTUVRUHJFHC-UHFFFAOYSA-N -2 3 396.690 3.026 20 0 GGADHL Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)c([O-])c1 ZINC000237602080 565965154 /nfs/dbraw/zinc/96/51/54/565965154.db2.gz BYFMVZYYDTVHSB-AWEZNQCLSA-N -2 3 378.222 3.409 20 0 GGADHL Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Br)cc2)c([O-])c1 ZINC000237610608 565965540 /nfs/dbraw/zinc/96/55/40/565965540.db2.gz FQQRMYVGXBZYEB-CQSZACIVSA-N -2 3 378.222 3.409 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000238124231 565980055 /nfs/dbraw/zinc/98/00/55/565980055.db2.gz IVXVAAKWLTWSHQ-UHFFFAOYSA-N -2 3 377.315 3.021 20 0 GGADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000179655524 565997822 /nfs/dbraw/zinc/99/78/22/565997822.db2.gz DNNQIOJRSITUBZ-UHFFFAOYSA-N -2 3 399.266 3.169 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000261707616 566130581 /nfs/dbraw/zinc/13/05/81/566130581.db2.gz OXNBGTXYBBXINR-SECBINFHSA-N -2 3 398.706 3.128 20 0 GGADHL CCc1n[n-]c([N-]C(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)n1 ZINC000182236695 566192061 /nfs/dbraw/zinc/19/20/61/566192061.db2.gz OFNTWYKRTFGRGA-UHFFFAOYSA-N -2 3 382.207 3.493 20 0 GGADHL Cc1cc(Br)c([O-])c(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000182919102 566230374 /nfs/dbraw/zinc/23/03/74/566230374.db2.gz YOWDZSLOIRTTMH-UHFFFAOYSA-N -2 3 399.266 3.087 20 0 GGADHL CS(=O)(=O)[N-]c1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)ccc1F ZINC000445447539 566289574 /nfs/dbraw/zinc/28/95/74/566289574.db2.gz SQSMYUBGFWQVCD-UHFFFAOYSA-N -2 3 383.788 3.273 20 0 GGADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000462389807 566294035 /nfs/dbraw/zinc/29/40/35/566294035.db2.gz WSIYMULIFCXNKM-SNVBAGLBSA-N -2 3 384.679 3.024 20 0 GGADHL CC(C)(C)CC[C@@](C)([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000556416669 566299003 /nfs/dbraw/zinc/29/90/03/566299003.db2.gz QAYVQRHUAOCFNX-CQSZACIVSA-N -2 3 382.404 3.048 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@](C)(CCC(C)(C)C)C(=O)[O-] ZINC000556416290 566299009 /nfs/dbraw/zinc/29/90/09/566299009.db2.gz LODHMQZGPSAJQJ-INIZCTEOSA-N -2 3 377.890 3.297 20 0 GGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000576332895 566336356 /nfs/dbraw/zinc/33/63/56/566336356.db2.gz QYGALHRZQHMQDD-SECBINFHSA-N -2 3 398.706 3.414 20 0 GGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000576332896 566337254 /nfs/dbraw/zinc/33/72/54/566337254.db2.gz QYGALHRZQHMQDD-VIFPVBQESA-N -2 3 398.706 3.414 20 0 GGADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1c(C)c(Br)ccc1[O-] ZINC000421164200 566351586 /nfs/dbraw/zinc/35/15/86/566351586.db2.gz JYOKBEKVMMTJRJ-LLVKDONJSA-N -2 3 380.304 3.266 20 0 GGADHL CCOc1ccc(F)c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1F ZINC000536103825 566351889 /nfs/dbraw/zinc/35/18/89/566351889.db2.gz NNHRTMLLNGIGEE-UHFFFAOYSA-N -2 3 377.390 3.232 20 0 GGADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000576522111 566353027 /nfs/dbraw/zinc/35/30/27/566353027.db2.gz FYUYBOCRCKSZSM-OCCSQVGLSA-N -2 3 383.363 3.156 20 0 GGADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000421166877 566353134 /nfs/dbraw/zinc/35/31/34/566353134.db2.gz RIQFLTQRFYSJSX-JSGCOSHPSA-N -2 3 375.512 3.055 20 0 GGADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000421166876 566353843 /nfs/dbraw/zinc/35/38/43/566353843.db2.gz RIQFLTQRFYSJSX-GXTWGEPZSA-N -2 3 375.512 3.055 20 0 GGADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000576947897 566392635 /nfs/dbraw/zinc/39/26/35/566392635.db2.gz IAVPYNLUUFADLY-VIFPVBQESA-N -2 3 398.706 3.414 20 0 GGADHL O=C([O-])[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000577062021 566401960 /nfs/dbraw/zinc/40/19/60/566401960.db2.gz CNZAXEXFVBLWRA-RKDXNWHRSA-N -2 3 396.690 3.024 20 0 GGADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000557685878 566409308 /nfs/dbraw/zinc/40/93/08/566409308.db2.gz OUQKCANIAMEKFR-JTQLQIEISA-N -2 3 398.344 3.460 20 0 GGADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3F)cc(Cl)c2O1 ZINC000484576732 566437210 /nfs/dbraw/zinc/43/72/10/566437210.db2.gz SPNSJKMWFUDAOK-MRVPVSSYSA-N -2 3 385.800 3.302 20 0 GGADHL COc1ccc([O-])c(C(=O)N[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)[O-])c1 ZINC000537366353 566441450 /nfs/dbraw/zinc/44/14/50/566441450.db2.gz OZUUPAOFUNBSEY-AWEZNQCLSA-N -2 3 384.215 3.133 20 0 GGADHL CCC(CC)(CC(=O)[O-])NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000537371832 566442368 /nfs/dbraw/zinc/44/23/68/566442368.db2.gz PWBJOEWPRPQLSE-UHFFFAOYSA-N -2 3 395.253 3.054 20 0 GGADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650413231 566453203 /nfs/dbraw/zinc/45/32/03/566453203.db2.gz XUTCGOFVQDIZBM-LBPRGKRZSA-N -2 3 389.779 3.018 20 0 GGADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000650421240 566454812 /nfs/dbraw/zinc/45/48/12/566454812.db2.gz PUGYYHIHQRGOEV-VIFPVBQESA-N -2 3 389.779 3.160 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)cc1C(=O)[O-] ZINC000484801428 566456685 /nfs/dbraw/zinc/45/66/85/566456685.db2.gz ALSFKCVBACBITG-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000577720119 566459139 /nfs/dbraw/zinc/45/91/39/566459139.db2.gz FCECMSNZLIOJHI-KRTXAFLBSA-N -2 3 385.791 3.136 20 0 GGADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000577720118 566460183 /nfs/dbraw/zinc/46/01/83/566460183.db2.gz FCECMSNZLIOJHI-JVXZTZIISA-N -2 3 385.791 3.136 20 0 GGADHL O=C([O-])CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000484854718 566460310 /nfs/dbraw/zinc/46/03/10/566460310.db2.gz GPQYJLQUGDHPDY-CQSZACIVSA-N -2 3 385.844 3.234 20 0 GGADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000485036714 566470525 /nfs/dbraw/zinc/47/05/25/566470525.db2.gz TYSHKDLQMNBUPJ-QMMMGPOBSA-N -2 3 384.317 3.068 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC000485056140 566472429 /nfs/dbraw/zinc/47/24/29/566472429.db2.gz OUTAGBRMDQSMOV-JTQLQIEISA-N -2 3 398.344 3.377 20 0 GGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)c1 ZINC000485266348 566487934 /nfs/dbraw/zinc/48/79/34/566487934.db2.gz WWKCDRQPXPXPRI-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1OC(F)F ZINC000578190344 566499675 /nfs/dbraw/zinc/49/96/75/566499675.db2.gz CVZOHGKQEIODAM-NSHDSACASA-N -2 3 375.349 3.009 20 0 GGADHL O=C([O-])[C@H](CCC[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1ccccc1 ZINC000558734912 566504029 /nfs/dbraw/zinc/50/40/29/566504029.db2.gz BIEBSFOGMWSTCP-CYBMUJFWSA-N -2 3 387.910 3.404 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c1 ZINC000538298427 566504672 /nfs/dbraw/zinc/50/46/72/566504672.db2.gz MDPSTCNTBRKMQW-UHFFFAOYSA-N -2 3 377.340 3.143 20 0 GGADHL O=S(=O)([N-]c1nccs1)c1cccc(NCc2cc([O-])cc(F)c2)c1 ZINC000512653091 566547791 /nfs/dbraw/zinc/54/77/91/566547791.db2.gz ULOZWEAMIJNDSR-UHFFFAOYSA-N -2 3 379.438 3.401 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000466468800 566578566 /nfs/dbraw/zinc/57/85/66/566578566.db2.gz LDKCPIHSFXRUAK-UHFFFAOYSA-N -2 3 394.193 3.242 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)c1 ZINC000539397953 566578830 /nfs/dbraw/zinc/57/88/30/566578830.db2.gz BZFDBUFXODAAFZ-UHFFFAOYSA-N -2 3 395.487 3.204 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)c1cccs1 ZINC000579303538 566596916 /nfs/dbraw/zinc/59/69/16/566596916.db2.gz VPIVOBMOHSDXTR-LLVKDONJSA-N -2 3 383.344 3.010 20 0 GGADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)Oc1ccccc1Cl ZINC000579588002 566622417 /nfs/dbraw/zinc/62/24/17/566622417.db2.gz QXXIYWSGHZLIRC-NSHDSACASA-N -2 3 387.841 3.076 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCCCc2ccccc21 ZINC000579829254 566643547 /nfs/dbraw/zinc/64/35/47/566643547.db2.gz AXVXKNJZEXCIQG-CYBMUJFWSA-N -2 3 381.475 3.201 20 0 GGADHL O=C(CSc1n[n-]c(=Nc2cccc(F)c2)s1)Nc1ccccc1[O-] ZINC000514106205 566643530 /nfs/dbraw/zinc/64/35/30/566643530.db2.gz WFPGWIGVTIPVBA-UHFFFAOYSA-N -2 3 376.438 3.279 20 0 GGADHL CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000629334345 566646546 /nfs/dbraw/zinc/64/65/46/566646546.db2.gz JZCXKTLBUXHXMT-ZDUSSCGKSA-N -2 3 383.491 3.145 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000540500863 566654657 /nfs/dbraw/zinc/65/46/57/566654657.db2.gz AOMVJXBNMRYICM-UHFFFAOYSA-N -2 3 376.203 3.103 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)c(F)c1 ZINC000487422750 566671195 /nfs/dbraw/zinc/67/11/95/566671195.db2.gz WQHAHWLIUYACCK-GHMZBOCLSA-N -2 3 383.363 3.171 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]Cc3cc(C(=O)[O-])c(C)o3)s2)cs1 ZINC000541000446 566685884 /nfs/dbraw/zinc/68/58/84/566685884.db2.gz ZBLXKSFTRQCFGI-UHFFFAOYSA-N -2 3 398.487 3.258 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC(C)(C)CC1 ZINC000541002080 566686184 /nfs/dbraw/zinc/68/61/84/566686184.db2.gz NXGXJKQXPGWEQQ-UHFFFAOYSA-N -2 3 375.874 3.051 20 0 GGADHL Cc1oc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000540999901 566686832 /nfs/dbraw/zinc/68/68/32/566686832.db2.gz MRBBAMYYMKFQFU-UHFFFAOYSA-N -2 3 397.758 3.437 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C(C)(C)CCc1ccccc1 ZINC000580428084 566692537 /nfs/dbraw/zinc/69/25/37/566692537.db2.gz XPNMHABHYFLXRI-UHFFFAOYSA-N -2 3 383.491 3.145 20 0 GGADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)ccc1Cl ZINC000541307903 566714189 /nfs/dbraw/zinc/71/41/89/566714189.db2.gz VHEJJFIYFQWEIO-UHFFFAOYSA-N -2 3 391.779 3.483 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C)c1c(C)noc1C ZINC000580772077 566721224 /nfs/dbraw/zinc/72/12/24/566721224.db2.gz UBFXNWWXHRELIG-ZDUSSCGKSA-N -2 3 386.857 3.381 20 0 GGADHL CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000580890979 566732480 /nfs/dbraw/zinc/73/24/80/566732480.db2.gz UKYPRSDNOURIHN-XPTSAGLGSA-N -2 3 389.882 3.154 20 0 GGADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccc(C(F)(F)F)cc1 ZINC000515839409 566735758 /nfs/dbraw/zinc/73/57/58/566735758.db2.gz JADAIBBVEZFDDQ-SECBINFHSA-N -2 3 377.340 3.079 20 0 GGADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000654780660 566752740 /nfs/dbraw/zinc/75/27/40/566752740.db2.gz ODWWVUJYFJFOEZ-ZJUUUORDSA-N -2 3 385.429 3.469 20 0 GGADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000654780658 566752973 /nfs/dbraw/zinc/75/29/73/566752973.db2.gz ODWWVUJYFJFOEZ-UWVGGRQHSA-N -2 3 385.429 3.469 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)s2)cs1 ZINC000581186550 566756955 /nfs/dbraw/zinc/75/69/55/566756955.db2.gz PXFWBMPEMAFZPS-LKFCYVNXSA-N -2 3 388.536 3.204 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1F ZINC000427296159 566763808 /nfs/dbraw/zinc/76/38/08/566763808.db2.gz RZVKQRWBCIGEOY-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1F ZINC000427299388 566764202 /nfs/dbraw/zinc/76/42/02/566764202.db2.gz MHNUSCXVQFXJEG-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1F ZINC000427322034 566766235 /nfs/dbraw/zinc/76/62/35/566766235.db2.gz RPSFUSVFWRDMGV-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3F)cc(Cl)c2O1 ZINC000427334307 566768147 /nfs/dbraw/zinc/76/81/47/566768147.db2.gz IECADYNRUNZOAW-MRVPVSSYSA-N -2 3 385.800 3.302 20 0 GGADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CCC1 ZINC000562360593 566785513 /nfs/dbraw/zinc/78/55/13/566785513.db2.gz ABCKADUOWZTTTF-UHFFFAOYSA-N -2 3 396.690 3.026 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1Cl ZINC000562409755 566789883 /nfs/dbraw/zinc/78/98/83/566789883.db2.gz UFVGHYJAYZXUJC-UHFFFAOYSA-N -2 3 391.779 3.434 20 0 GGADHL COc1cc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)cc(Br)c1[O-] ZINC000581607887 566793683 /nfs/dbraw/zinc/79/36/83/566793683.db2.gz ARRDVXWOTZITSV-ZETCQYMHSA-N -2 3 387.255 3.169 20 0 GGADHL COc1ccc([O-])c(C(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)c1 ZINC000678975943 566827948 /nfs/dbraw/zinc/82/79/48/566827948.db2.gz RCBPOVTUGDDURU-CQSZACIVSA-N -2 3 394.221 3.109 20 0 GGADHL CC(C)(CC[N-]S(=O)(=O)c1cccc(Br)c1F)CCC(=O)[O-] ZINC000542841927 566831093 /nfs/dbraw/zinc/83/10/93/566831093.db2.gz GZRHUMPURIHLAV-UHFFFAOYSA-N -2 3 396.278 3.148 20 0 GGADHL Cc1oc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1C(=O)[O-] ZINC000542857641 566832950 /nfs/dbraw/zinc/83/29/50/566832950.db2.gz AQKOMCLNDVXIBP-UHFFFAOYSA-N -2 3 397.758 3.437 20 0 GGADHL CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C)c1nccs1 ZINC000563072172 566850923 /nfs/dbraw/zinc/85/09/23/566850923.db2.gz LQJHOVZRXMKAIV-HNNXBMFYSA-N -2 3 388.898 3.407 20 0 GGADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1Br ZINC000470266442 566861740 /nfs/dbraw/zinc/86/17/40/566861740.db2.gz YZCKQJUCKRJYII-XQRVVYSFSA-N -2 3 379.210 3.059 20 0 GGADHL Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])C(F)(F)F)o1 ZINC000656181338 566881725 /nfs/dbraw/zinc/88/17/25/566881725.db2.gz RMHHHCLFJXREQB-CYBMUJFWSA-N -2 3 377.340 3.177 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)cc1Cl ZINC000680361480 566904237 /nfs/dbraw/zinc/90/42/37/566904237.db2.gz JCLDXEAYUDQTGT-UHFFFAOYSA-N -2 3 390.244 3.179 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c1ccccc1 ZINC000582944079 566907201 /nfs/dbraw/zinc/90/72/01/566907201.db2.gz FGUVYAGVTZFFMU-AWEZNQCLSA-N -2 3 383.853 3.233 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CCC(=O)[O-])c1ccccc1 ZINC000582944080 566907280 /nfs/dbraw/zinc/90/72/80/566907280.db2.gz FGUVYAGVTZFFMU-CQSZACIVSA-N -2 3 383.853 3.233 20 0 GGADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1Cl ZINC000583118653 566922072 /nfs/dbraw/zinc/92/20/72/566922072.db2.gz XGDJEOOTXZYVRC-CQSZACIVSA-N -2 3 390.244 3.106 20 0 GGADHL CO[C@@H](CS(=O)(=O)[N-]c1c([O-])ccc(Br)c1C)C1CCCC1 ZINC000656631919 566928260 /nfs/dbraw/zinc/92/82/60/566928260.db2.gz RDBSHONSNQCMOG-AWEZNQCLSA-N -2 3 392.315 3.410 20 0 GGADHL Cc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)s1 ZINC000519510419 566942995 /nfs/dbraw/zinc/94/29/95/566942995.db2.gz SIFIGHUOVRMYSY-CQSZACIVSA-N -2 3 382.507 3.243 20 0 GGADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000519615676 566951462 /nfs/dbraw/zinc/95/14/62/566951462.db2.gz MZKHEDAIJQCXEW-NXEZZACHSA-N -2 3 385.379 3.402 20 0 GGADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000519615684 566951884 /nfs/dbraw/zinc/95/18/84/566951884.db2.gz MZKHEDAIJQCXEW-VHSXEESVSA-N -2 3 385.379 3.402 20 0 GGADHL COC[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)[O-])c1ccc(Cl)cc1 ZINC000519650504 566954788 /nfs/dbraw/zinc/95/47/88/566954788.db2.gz YAUAFZDQBDHJII-GFCCVEGCSA-N -2 3 389.882 3.074 20 0 GGADHL O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1c(F)ccc([O-])c1F ZINC000583532234 566960593 /nfs/dbraw/zinc/96/05/93/566960593.db2.gz RTTBCSVPYFAGFQ-UHFFFAOYSA-N -2 3 395.163 3.470 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccn2)c1 ZINC000471582376 566963132 /nfs/dbraw/zinc/96/31/32/566963132.db2.gz VRJISYSJNWILKA-UHFFFAOYSA-N -2 3 379.825 3.041 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])s1 ZINC000519740021 566963584 /nfs/dbraw/zinc/96/35/84/566963584.db2.gz BZEGREZOFOYHJY-KOLCDFICSA-N -2 3 396.328 3.131 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)Cc1cc(Cl)ccc1F)c1cccs1 ZINC000681556662 566985287 /nfs/dbraw/zinc/98/52/87/566985287.db2.gz CNPPFMWKXLGFIJ-GFCCVEGCSA-N -2 3 377.846 3.176 20 0 GGADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(F)ccc2F)s1 ZINC000681567372 566986833 /nfs/dbraw/zinc/98/68/33/566986833.db2.gz MPWAWVRZKVQQKN-AWEZNQCLSA-N -2 3 389.445 3.428 20 0 GGADHL CC(C)Sc1nc([N-]S(=O)(=O)Cc2ccccc2Br)n[n-]1 ZINC000564733443 567004604 /nfs/dbraw/zinc/00/46/04/567004604.db2.gz SBERURZNXGZRGR-UHFFFAOYSA-N -2 3 391.316 3.010 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000430378456 567014469 /nfs/dbraw/zinc/01/44/69/567014469.db2.gz SBSMCEJYJOKULA-SECBINFHSA-N -2 3 398.706 3.128 20 0 GGADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC000564851501 567014669 /nfs/dbraw/zinc/01/46/69/567014669.db2.gz JEZWANOERFVMRH-ONGXEEELSA-N -2 3 388.536 3.348 20 0 GGADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000657144866 567024001 /nfs/dbraw/zinc/02/40/01/567024001.db2.gz VXTPCTQZZDFSEU-BDAKNGLRSA-N -2 3 385.429 3.325 20 0 GGADHL COc1ccc(CN=c2[n-]nc(-c3ccoc3C)o2)c(Br)c1[O-] ZINC000545501915 567057979 /nfs/dbraw/zinc/05/79/79/567057979.db2.gz ZHPJFSILAGZAGK-UHFFFAOYSA-N -2 3 380.198 3.149 20 0 GGADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)s1 ZINC000584695619 567061501 /nfs/dbraw/zinc/06/15/01/567061501.db2.gz UOWVHDDKHBDQTK-LLVKDONJSA-N -2 3 395.289 3.171 20 0 GGADHL CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)C1 ZINC000545557905 567063244 /nfs/dbraw/zinc/06/32/44/567063244.db2.gz MKTRPWNZXMRIAS-NWDGAFQWSA-N -2 3 375.487 3.175 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]CCCCOc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000565421449 567066843 /nfs/dbraw/zinc/06/68/43/567066843.db2.gz UKMFANKHRTZWGI-UHFFFAOYSA-N -2 3 387.841 3.077 20 0 GGADHL CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000546265530 567118818 /nfs/dbraw/zinc/11/88/18/567118818.db2.gz GYFHDRONHNCPHD-STQMWFEESA-N -2 3 375.487 3.175 20 0 GGADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c1 ZINC000432073581 567129066 /nfs/dbraw/zinc/12/90/66/567129066.db2.gz XIBGLCRMPPWZTB-UHFFFAOYSA-N -2 3 383.784 3.107 20 0 GGADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C2CC2)s1 ZINC000566176339 567133525 /nfs/dbraw/zinc/13/35/25/567133525.db2.gz LHNIOZLEOIYJJL-CYBMUJFWSA-N -2 3 386.882 3.233 20 0 GGADHL Cc1c([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)cccc1C(=O)[O-] ZINC000522882198 567134893 /nfs/dbraw/zinc/13/48/93/567134893.db2.gz LEDNXUUBMRYHEU-SECBINFHSA-N -2 3 381.837 3.471 20 0 GGADHL O=C(N=c1[n-]nc([C@H]2CCCO2)s1)c1cc2cc(Br)sc2[n-]1 ZINC000636352369 567146098 /nfs/dbraw/zinc/14/60/98/567146098.db2.gz KHGIVIYGDKJYRK-MRVPVSSYSA-N -2 3 399.295 3.369 20 0 GGADHL O=C(N=c1[n-]nc([C@@H]2CCCO2)s1)c1cc2cc(Br)sc2[n-]1 ZINC000636352372 567146920 /nfs/dbraw/zinc/14/69/20/567146920.db2.gz KHGIVIYGDKJYRK-QMMMGPOBSA-N -2 3 399.295 3.369 20 0 GGADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])o1 ZINC000474428101 567169638 /nfs/dbraw/zinc/16/96/38/567169638.db2.gz CKYICIZZFQYZRD-UHFFFAOYSA-N -2 3 390.820 3.107 20 0 GGADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Br)c(C)c2F)c1 ZINC000432645869 567175965 /nfs/dbraw/zinc/17/59/65/567175965.db2.gz QBKLTIXRHUIJQH-UHFFFAOYSA-N -2 3 390.230 3.412 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)c(Cl)c1Cl ZINC000547552788 567218860 /nfs/dbraw/zinc/21/88/60/567218860.db2.gz MIZJZCDXBFWJDK-MGCOHNPYSA-N -2 3 396.292 3.171 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)C(C)(C)c1ccccc1 ZINC000567107874 567219082 /nfs/dbraw/zinc/21/90/82/567219082.db2.gz VVMBVEQFUGMCQM-NSHDSACASA-N -2 3 383.491 3.100 20 0 GGADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000547560668 567220060 /nfs/dbraw/zinc/22/00/60/567220060.db2.gz CAFXPEANQWJDFI-SNVBAGLBSA-N -2 3 388.898 3.385 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)c(Cl)c1Cl ZINC000547559601 567220224 /nfs/dbraw/zinc/22/02/24/567220224.db2.gz CGSOWUUGDUGCAF-CQSZACIVSA-N -2 3 390.244 3.106 20 0 GGADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000547557420 567220238 /nfs/dbraw/zinc/22/02/38/567220238.db2.gz LZSUDUQMDDGPNZ-MGCOHNPYSA-N -2 3 383.363 3.014 20 0 GGADHL Cc1cccc(C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC000547565629 567221649 /nfs/dbraw/zinc/22/16/49/567221649.db2.gz NVRQSFOKOWZCLU-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL CC[C@](C)(C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000547566942 567221988 /nfs/dbraw/zinc/22/19/88/567221988.db2.gz ASRIGSPNESXRJL-OAHLLOKOSA-N -2 3 388.898 3.243 20 0 GGADHL Cc1ccc(C[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)C(=O)[O-])cc1 ZINC000547575132 567224599 /nfs/dbraw/zinc/22/45/99/567224599.db2.gz JXQDYBJSEBRENZ-CYBMUJFWSA-N -2 3 385.844 3.009 20 0 GGADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1 ZINC000684654588 567224952 /nfs/dbraw/zinc/22/49/52/567224952.db2.gz IJBBKNDWYVXFSP-LBPRGKRZSA-N -2 3 388.272 3.215 20 0 GGADHL O=C([O-])[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000547608906 567229859 /nfs/dbraw/zinc/22/98/59/567229859.db2.gz BWSDOMCQTOCMHA-ZDUSSCGKSA-N -2 3 392.235 3.107 20 0 GGADHL O=C([O-])[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000547612915 567231236 /nfs/dbraw/zinc/23/12/36/567231236.db2.gz SLDVZNUSFXPIET-SNVBAGLBSA-N -2 3 380.274 3.029 20 0 GGADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000547616125 567231753 /nfs/dbraw/zinc/23/17/53/567231753.db2.gz YMLVGLBJSRLDMO-GFCCVEGCSA-N -2 3 388.898 3.099 20 0 GGADHL CCCCN(CCCC)S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])cc1OC ZINC000547615762 567231904 /nfs/dbraw/zinc/23/19/04/567231904.db2.gz ZADWXWDXSRNGKQ-UHFFFAOYSA-N -2 3 376.450 3.091 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000547638708 567235130 /nfs/dbraw/zinc/23/51/30/567235130.db2.gz GAZZCECVABQRQG-MRXNPFEDSA-N -2 3 383.853 3.070 20 0 GGADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000567345323 567238608 /nfs/dbraw/zinc/23/86/08/567238608.db2.gz CMIWRRGCIGDWIL-UFBFGSQYSA-N -2 3 398.706 3.126 20 0 GGADHL O=C([O-])[C@H](CC[N-]S(=O)(=O)c1ccc(F)cc1Cl)Cc1ccccc1 ZINC000547701063 567240461 /nfs/dbraw/zinc/24/04/61/567240461.db2.gz VETZOIDHTSDQSH-CYBMUJFWSA-N -2 3 385.844 3.091 20 0 GGADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000547822335 567249059 /nfs/dbraw/zinc/24/90/59/567249059.db2.gz YELXPAMNUMBNIW-UHFFFAOYSA-N -2 3 389.832 3.401 20 0 GGADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)C2CC2)n1 ZINC000567468590 567250416 /nfs/dbraw/zinc/25/04/16/567250416.db2.gz XLLUIZCMKSTAAA-ZDUSSCGKSA-N -2 3 386.882 3.233 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000547868691 567252053 /nfs/dbraw/zinc/25/20/53/567252053.db2.gz FEJGUGLISXGTQU-UHFFFAOYSA-N -2 3 377.315 3.485 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)c1cccs1 ZINC000547870194 567252068 /nfs/dbraw/zinc/25/20/68/567252068.db2.gz GCWXEEHIPDIQGK-LLVKDONJSA-N -2 3 383.344 3.010 20 0 GGADHL COc1cccc([C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])c1 ZINC000547872614 567253228 /nfs/dbraw/zinc/25/32/28/567253228.db2.gz HACLUXQSIBEKLP-ZDUSSCGKSA-N -2 3 390.244 3.106 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)c1Cl ZINC000547870235 567253310 /nfs/dbraw/zinc/25/33/10/567253310.db2.gz KBYDLSRDJBKTFE-NSHDSACASA-N -2 3 380.274 3.468 20 0 GGADHL COc1cccc([C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])c1 ZINC000547872612 567253446 /nfs/dbraw/zinc/25/34/46/567253446.db2.gz HACLUXQSIBEKLP-CYBMUJFWSA-N -2 3 390.244 3.106 20 0 GGADHL Cc1cc(C)cc(C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)C(=O)[O-])c1 ZINC000547874455 567254346 /nfs/dbraw/zinc/25/43/46/567254346.db2.gz ACZMIMGRJHACNU-OAHLLOKOSA-N -2 3 385.844 3.070 20 0 GGADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)CC(=O)[O-] ZINC000547880257 567255004 /nfs/dbraw/zinc/25/50/04/567255004.db2.gz DNCARQJHRKJHTB-SECBINFHSA-N -2 3 396.278 3.004 20 0 GGADHL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433508362 567255564 /nfs/dbraw/zinc/25/55/64/567255564.db2.gz WCLXAMHVRCCARL-UHFFFAOYSA-N -3 3 375.324 3.218 20 0 GGADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000547887885 567256681 /nfs/dbraw/zinc/25/66/81/567256681.db2.gz CRVIDGRMMLURKV-GXTWGEPZSA-N -2 3 383.363 3.156 20 0 GGADHL Cc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000547891148 567256859 /nfs/dbraw/zinc/25/68/59/567256859.db2.gz QCVPJVMBZDWSRR-ZDUSSCGKSA-N -2 3 385.844 3.009 20 0 GGADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000547887888 567256950 /nfs/dbraw/zinc/25/69/50/567256950.db2.gz CRVIDGRMMLURKV-TZMCWYRMSA-N -2 3 383.363 3.156 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000547895325 567257696 /nfs/dbraw/zinc/25/76/96/567257696.db2.gz SYPKUXTVCPMZOF-LBPRGKRZSA-N -2 3 378.208 3.237 20 0 GGADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547896409 567257728 /nfs/dbraw/zinc/25/77/28/567257728.db2.gz MYIYZWYXYYVLSJ-JSGCOSHPSA-N -2 3 383.363 3.156 20 0 GGADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(OC(F)F)cc1F ZINC000567568497 567258343 /nfs/dbraw/zinc/25/83/43/567258343.db2.gz GSMSRFMSFDNNNJ-UHFFFAOYSA-N -2 3 399.343 3.435 20 0 GGADHL CSCC[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000547910366 567260746 /nfs/dbraw/zinc/26/07/46/567260746.db2.gz GPKNCVTZNLHWGU-JTQLQIEISA-N -2 3 379.912 3.039 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)s1 ZINC000547907634 567260877 /nfs/dbraw/zinc/26/08/77/567260877.db2.gz ZHTSOMHLZSWWEG-SECBINFHSA-N -2 3 398.344 3.377 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1F ZINC000547916770 567262588 /nfs/dbraw/zinc/26/25/88/567262588.db2.gz NUXFWWFLEKAHTD-CYBMUJFWSA-N -2 3 375.780 3.113 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cccc(Cl)c1 ZINC000547917100 567263924 /nfs/dbraw/zinc/26/39/24/567263924.db2.gz SQCUAHAKIOFEMU-ZDUSSCGKSA-N -2 3 393.770 3.252 20 0 GGADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1cccc(Cl)c1 ZINC000547923283 567264222 /nfs/dbraw/zinc/26/42/22/567264222.db2.gz VAVWALSWVFYVCG-GFCCVEGCSA-N -2 3 375.780 3.113 20 0 GGADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000547931844 567265169 /nfs/dbraw/zinc/26/51/69/567265169.db2.gz KZPXSDMHYMXFQD-KWQFWETISA-N -2 3 398.344 3.377 20 0 GGADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000547931543 567265360 /nfs/dbraw/zinc/26/53/60/567265360.db2.gz CYEADYUPJGXRFQ-SKDRFNHKSA-N -2 3 396.278 3.146 20 0 GGADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000547931542 567265486 /nfs/dbraw/zinc/26/54/86/567265486.db2.gz CYEADYUPJGXRFQ-JOYOIKCWSA-N -2 3 396.278 3.146 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccc(Cl)c1 ZINC000547936190 567267145 /nfs/dbraw/zinc/26/71/45/567267145.db2.gz DMUPWTVYLYTXMF-LBPRGKRZSA-N -2 3 378.208 3.237 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)c1cc(C)sc1C ZINC000567802930 567278602 /nfs/dbraw/zinc/27/86/02/567278602.db2.gz CZLVBOSDISHFRG-MRVPVSSYSA-N -2 3 375.493 3.173 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(C)C ZINC000567805514 567280065 /nfs/dbraw/zinc/28/00/65/567280065.db2.gz ICWUAGQJYXBERN-ZDUSSCGKSA-N -2 3 383.491 3.173 20 0 GGADHL O=C([O-])CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000526061181 567287779 /nfs/dbraw/zinc/28/77/79/567287779.db2.gz VGLAGJMFDVZHHI-UHFFFAOYSA-N -2 3 375.874 3.052 20 0 GGADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C1CCC1 ZINC000526061281 567287864 /nfs/dbraw/zinc/28/78/64/567287864.db2.gz ISXSZGZGJAXSRS-INIZCTEOSA-N -2 3 387.885 3.051 20 0 GGADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccccc1 ZINC000548197676 567289073 /nfs/dbraw/zinc/28/90/73/567289073.db2.gz LNHJXFLOUYNLPS-GFCCVEGCSA-N -2 3 393.770 3.463 20 0 GGADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC(=O)[O-] ZINC000548226003 567292452 /nfs/dbraw/zinc/29/24/52/567292452.db2.gz USYCUGRWTLQOMR-VIFPVBQESA-N -2 3 385.379 3.260 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)CC(=O)[O-] ZINC000548222021 567292918 /nfs/dbraw/zinc/29/29/18/567292918.db2.gz FXSAIMPRVMQYKE-JTQLQIEISA-N -2 3 385.379 3.260 20 0 GGADHL Cc1cc([C@H]([N-]S(=O)(=O)c2cccc(F)c2F)C(=O)[O-])ccc1Cl ZINC000548230056 567293889 /nfs/dbraw/zinc/29/38/89/567293889.db2.gz WNCHOEITIDRACD-AWEZNQCLSA-N -2 3 375.780 3.031 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)c1 ZINC000548250320 567298199 /nfs/dbraw/zinc/29/81/99/567298199.db2.gz SQYNEUIOTRNEHS-UHFFFAOYSA-N -2 3 375.874 3.052 20 0 GGADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)[O-])c1Cl ZINC000548246744 567298505 /nfs/dbraw/zinc/29/85/05/567298505.db2.gz IYLRKCNOHBHGMI-ZDUSSCGKSA-N -2 3 388.272 3.276 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)s2)cs1 ZINC000548263448 567300646 /nfs/dbraw/zinc/30/06/46/567300646.db2.gz BSKKAKOSGJQZJG-GFCCVEGCSA-N -2 3 388.536 3.348 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)s2)cs1 ZINC000548263449 567300702 /nfs/dbraw/zinc/30/07/02/567300702.db2.gz BSKKAKOSGJQZJG-LBPRGKRZSA-N -2 3 388.536 3.348 20 0 GGADHL O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000548265183 567301039 /nfs/dbraw/zinc/30/10/39/567301039.db2.gz WZRRBTFPRTURDX-GFCCVEGCSA-N -2 3 385.850 3.122 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000548262905 567301252 /nfs/dbraw/zinc/30/12/52/567301252.db2.gz POGOWQGLHSWEQG-BZNIZROVSA-N -2 3 383.853 3.089 20 0 GGADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548262174 567301299 /nfs/dbraw/zinc/30/12/99/567301299.db2.gz HOTLPEKJIOEJMK-UWVGGRQHSA-N -2 3 396.278 3.146 20 0 GGADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000548292601 567305378 /nfs/dbraw/zinc/30/53/78/567305378.db2.gz ZEYLCGZYIOLNJX-QMMMGPOBSA-N -2 3 398.706 3.270 20 0 GGADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000527051692 567309444 /nfs/dbraw/zinc/30/94/44/567309444.db2.gz GOAAFZIHHRPKJA-QGZVFWFLSA-N -2 3 389.901 3.298 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1Cl ZINC000500328396 567314031 /nfs/dbraw/zinc/31/40/31/567314031.db2.gz LPQUMKWAYTYYTF-UHFFFAOYSA-N -2 3 395.742 3.022 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1Cl ZINC000500333946 567314844 /nfs/dbraw/zinc/31/48/44/567314844.db2.gz XYGWPNUIHSVAOT-UHFFFAOYSA-N -2 3 394.207 3.397 20 0 GGADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cc(Cl)sc1Cl ZINC000476327270 567315116 /nfs/dbraw/zinc/31/51/16/567315116.db2.gz VKICNPINYZAMCG-UHFFFAOYSA-N -2 3 376.250 3.036 20 0 GGADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cc(Cl)sc1Cl ZINC000476327270 567315123 /nfs/dbraw/zinc/31/51/23/567315123.db2.gz VKICNPINYZAMCG-UHFFFAOYSA-N -2 3 376.250 3.036 20 0 GGADHL Cc1cc(C)cc(C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C(=O)[O-])c1 ZINC000548527967 567322872 /nfs/dbraw/zinc/32/28/72/567322872.db2.gz QGLVZIIBXHAHJY-OAHLLOKOSA-N -2 3 385.844 3.070 20 0 GGADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000548543657 567326128 /nfs/dbraw/zinc/32/61/28/567326128.db2.gz WQOXQTGBZSUKMP-CXAGYDPISA-N -2 3 380.491 3.122 20 0 GGADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000527287628 567328208 /nfs/dbraw/zinc/32/82/08/567328208.db2.gz KFMCOWJCYIVYDX-JTQLQIEISA-N -2 3 389.832 3.399 20 0 GGADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000548551423 567328808 /nfs/dbraw/zinc/32/88/08/567328808.db2.gz JOITZQCIJLTONV-SECBINFHSA-N -2 3 398.706 3.414 20 0 GGADHL C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)CC(=O)[O-] ZINC000527301771 567330015 /nfs/dbraw/zinc/33/00/15/567330015.db2.gz UFAKUKCZEDPOEA-GFCCVEGCSA-N -2 3 389.901 3.298 20 0 GGADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000548578295 567332354 /nfs/dbraw/zinc/33/23/54/567332354.db2.gz OKGYFBUQQJAKKL-ZDUSSCGKSA-N -2 3 375.780 3.113 20 0 GGADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000548588187 567333466 /nfs/dbraw/zinc/33/34/66/567333466.db2.gz KIDVEAKUQWBKPJ-DTWKUNHWSA-N -2 3 384.317 3.068 20 0 GGADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)s1 ZINC000548589396 567334385 /nfs/dbraw/zinc/33/43/85/567334385.db2.gz PCHPFDQOBDLEBH-NSHDSACASA-N -2 3 395.289 3.253 20 0 GGADHL Cc1cc([C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C(=O)[O-])ccc1Cl ZINC000548588876 567334556 /nfs/dbraw/zinc/33/45/56/567334556.db2.gz ZBUAXEWRYSJGFD-CQSZACIVSA-N -2 3 393.770 3.170 20 0 GGADHL C[C@@H](CC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)CC(=O)[O-] ZINC000548593652 567335134 /nfs/dbraw/zinc/33/51/34/567335134.db2.gz JRWMXWXJOWNAKF-JTQLQIEISA-N -2 3 388.898 3.243 20 0 GGADHL C[C@@H](CSCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000592449545 567339546 /nfs/dbraw/zinc/33/95/46/567339546.db2.gz IYCBIQXDNQUNRR-VIFPVBQESA-N -2 3 393.939 3.287 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC[C@@H](C)C2)c(Cl)c1Cl ZINC000548769949 567349171 /nfs/dbraw/zinc/34/91/71/567349171.db2.gz LAPLXZMUSUWDGZ-RFAUZJTJSA-N -2 3 396.292 3.314 20 0 GGADHL O=S(=O)(CCc1ccc2c(c1)CCO2)[N-]c1cc(Br)ccc1[O-] ZINC000568706085 567349106 /nfs/dbraw/zinc/34/91/06/567349106.db2.gz JEZMGAVRGPQWJG-UHFFFAOYSA-N -2 3 398.278 3.074 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC[C@H](C)C2)c(Cl)c1Cl ZINC000548769947 567349474 /nfs/dbraw/zinc/34/94/74/567349474.db2.gz LAPLXZMUSUWDGZ-BJOHPYRUSA-N -2 3 396.292 3.314 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC[C@H](C)C2)s1 ZINC000548770419 567349571 /nfs/dbraw/zinc/34/95/71/567349571.db2.gz AUCLCIWBHVNQCR-ISVAXAHUSA-N -2 3 396.328 3.131 20 0 GGADHL C[C@H]1CCC[C@]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)(C(=O)[O-])C1 ZINC000548771029 567349832 /nfs/dbraw/zinc/34/98/32/567349832.db2.gz RFOYZKUMXTXOHQ-LKFCYVNXSA-N -2 3 383.363 3.156 20 0 GGADHL CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000477425212 567393985 /nfs/dbraw/zinc/39/39/85/567393985.db2.gz NFALUYCPYBYZPH-UHFFFAOYSA-N -2 3 382.825 3.106 20 0 GGADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000435880598 567394322 /nfs/dbraw/zinc/39/43/22/567394322.db2.gz KCMTUYVAUNBMTJ-GXTWGEPZSA-N -2 3 383.828 3.320 20 0 GGADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000435878281 567394450 /nfs/dbraw/zinc/39/44/50/567394450.db2.gz AXEXLDJWUCRJCS-JOYOIKCWSA-N -2 3 375.830 3.073 20 0 GGADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000569329505 567396102 /nfs/dbraw/zinc/39/61/02/567396102.db2.gz LFSYPMBCCVBBTO-LLVKDONJSA-N -2 3 385.816 3.109 20 0 GGADHL O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)c1 ZINC000569537009 567412799 /nfs/dbraw/zinc/41/27/99/567412799.db2.gz GGPMVGUSQFYUMY-UHFFFAOYSA-N -2 3 379.821 3.358 20 0 GGADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c[n-]1 ZINC000618906256 567423718 /nfs/dbraw/zinc/42/37/18/567423718.db2.gz CFNIUZJSKIQMQJ-UHFFFAOYSA-N -2 3 397.762 3.059 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])ccc1C(=O)[O-] ZINC000436474134 567426651 /nfs/dbraw/zinc/42/66/51/567426651.db2.gz BHMAOPFSRJSSLQ-UHFFFAOYSA-N -3 3 375.324 3.218 20 0 GGADHL Cc1c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cccc1C(=O)[O-] ZINC000436480069 567426855 /nfs/dbraw/zinc/42/68/55/567426855.db2.gz YQMHKSGFWXKHMX-UHFFFAOYSA-N -3 3 375.324 3.218 20 0 GGADHL O=C(Nc1ccc(Br)cc1[O-])c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550220615 567435406 /nfs/dbraw/zinc/43/54/06/567435406.db2.gz QDVXKIIVWHFCGL-UHFFFAOYSA-N -2 3 392.184 3.437 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000569840993 567436557 /nfs/dbraw/zinc/43/65/57/567436557.db2.gz MDJPMTZKPAJCRV-LLVKDONJSA-N -2 3 387.866 3.074 20 0 GGADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1OC ZINC000436687420 567443434 /nfs/dbraw/zinc/44/34/34/567443434.db2.gz QUXLETBHZWOIEV-UHFFFAOYSA-N -2 3 384.841 3.068 20 0 GGADHL Cc1ccc(-c2nnc(NC(=O)c3cc(F)cc(Br)c3[O-])[n-]2)o1 ZINC000436859582 567461794 /nfs/dbraw/zinc/46/17/94/567461794.db2.gz STPTVHGUQRKQFI-UHFFFAOYSA-N -2 3 381.161 3.233 20 0 GGADHL Cc1ccc(-c2n[n-]c(NC(=O)c3cc(F)cc(Br)c3[O-])n2)o1 ZINC000436859582 567461800 /nfs/dbraw/zinc/46/18/00/567461800.db2.gz STPTVHGUQRKQFI-UHFFFAOYSA-N -2 3 381.161 3.233 20 0 GGADHL Cc1ccc(-c2nc(NC(=O)c3cc(F)cc(Br)c3[O-])n[n-]2)o1 ZINC000436859582 567461805 /nfs/dbraw/zinc/46/18/05/567461805.db2.gz STPTVHGUQRKQFI-UHFFFAOYSA-N -2 3 381.161 3.233 20 0 GGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c1 ZINC000436892484 567464592 /nfs/dbraw/zinc/46/45/92/567464592.db2.gz JUSDHIXNQWOIAA-UHFFFAOYSA-N -3 3 376.415 3.015 20 0 GGADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000436891274 567464819 /nfs/dbraw/zinc/46/48/19/567464819.db2.gz FQQMYPOEROBYQM-UHFFFAOYSA-N -3 3 393.751 3.146 20 0 GGADHL O=c1[n-]c(-c2ccc(I)c([O-])c2)nc2cccc(F)c12 ZINC000619584250 567466666 /nfs/dbraw/zinc/46/66/66/567466666.db2.gz FYJJQCLFWDMZSR-UHFFFAOYSA-N -2 3 382.132 3.452 20 0 GGADHL COc1cc(/C=C/c2nc(C(=O)[O-])c(Br)s2)cc(OC)c1[O-] ZINC000436936040 567468055 /nfs/dbraw/zinc/46/80/55/567468055.db2.gz YAEXAUKBUMTKMJ-ONEGZZNKSA-N -2 3 386.223 3.497 20 0 GGADHL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC000436986198 567472530 /nfs/dbraw/zinc/47/25/30/567472530.db2.gz QLSLZPRHORMTDM-UHFFFAOYSA-N -2 3 377.752 3.131 20 0 GGADHL Cc1cccc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)[n-]c(=O)c12 ZINC000551231410 567491020 /nfs/dbraw/zinc/49/10/20/567491020.db2.gz PNKCILBVKVGTCW-UHFFFAOYSA-N -2 3 382.221 3.446 20 0 GGADHL O=c1[n-]c(-c2n[n-]c(-c3cccc(Br)c3)n2)nc2ccc(F)cc12 ZINC000551244993 567491959 /nfs/dbraw/zinc/49/19/59/567491959.db2.gz OUCUZKFOZFHXET-UHFFFAOYSA-N -2 3 386.184 3.277 20 0 GGADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1csc2ccccc21)C(F)(F)F ZINC000663294404 567492358 /nfs/dbraw/zinc/49/23/58/567492358.db2.gz QEENGUUPXKBQAZ-VIFPVBQESA-N -2 3 381.397 3.223 20 0 GGADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)(CC(=O)[O-])C1 ZINC000570704403 567506834 /nfs/dbraw/zinc/50/68/34/567506834.db2.gz BNRGKSUUCWQXGE-NOZJJQNGSA-N -2 3 385.429 3.326 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]CCCCc2ccc(Cl)s2)oc1C(=O)[O-] ZINC000663425915 567507429 /nfs/dbraw/zinc/50/74/29/567507429.db2.gz FBKQFJXXMXYBQB-UHFFFAOYSA-N -2 3 377.871 3.302 20 0 GGADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)Oc1ccccc1Cl ZINC000663425825 567507479 /nfs/dbraw/zinc/50/74/79/567507479.db2.gz UQWQPSWLQPWSBK-NSHDSACASA-N -2 3 387.841 3.076 20 0 GGADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cc1F ZINC000479444383 567536621 /nfs/dbraw/zinc/53/66/21/567536621.db2.gz XRTMHILNODDECX-UHFFFAOYSA-N -2 3 391.779 3.434 20 0 GGADHL COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c(C(=O)[O-])c1 ZINC000504666063 567542747 /nfs/dbraw/zinc/54/27/47/567542747.db2.gz NYIPDNZFFBRZLL-UHFFFAOYSA-N -2 3 385.825 3.165 20 0 GGADHL Cc1nc(C=Cc2c(F)ccc(Br)c2F)[n-]c(=O)c1CC(=O)[O-] ZINC000504722586 567545660 /nfs/dbraw/zinc/54/56/60/567545660.db2.gz WDQWPPSNAHXCFY-GORDUTHDSA-N -2 3 385.164 3.329 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000479599279 567547443 /nfs/dbraw/zinc/54/74/43/567547443.db2.gz GJXMGJMZIUQPOJ-SECBINFHSA-N -2 3 398.706 3.128 20 0 GGADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000479626225 567549216 /nfs/dbraw/zinc/54/92/16/567549216.db2.gz ZJDFGWCBQQCBIR-SECBINFHSA-N -2 3 398.706 3.128 20 0 GGADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)cc1Cl ZINC000644572002 567561127 /nfs/dbraw/zinc/56/11/27/567561127.db2.gz RXAGYLCSWXIRHI-OQPBUACISA-N -2 3 384.281 3.026 20 0 GGADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000644571810 567561137 /nfs/dbraw/zinc/56/11/37/567561137.db2.gz GIUIVGPDYUFDHG-QPUJVOFHSA-N -2 3 398.706 3.126 20 0 GGADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC000530368336 567596338 /nfs/dbraw/zinc/59/63/38/567596338.db2.gz PXJXILNXUKHNRX-CQSZACIVSA-N -2 3 390.244 3.106 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]CCCc2nc(C)c(C(=O)[O-])s2)sc1Cl ZINC000530382827 567598597 /nfs/dbraw/zinc/59/85/97/567598597.db2.gz DPLGKRWXEMPDMG-UHFFFAOYSA-N -2 3 394.927 3.084 20 0 GGADHL Cc1cc(S(=O)(=O)[N-][C@H](Cc2cccc(Cl)c2)C(=O)[O-])sc1Cl ZINC000530435707 567602400 /nfs/dbraw/zinc/60/24/00/567602400.db2.gz KAJSXDYGXNAOJE-LLVKDONJSA-N -2 3 394.301 3.338 20 0 GGADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000530473412 567604281 /nfs/dbraw/zinc/60/42/81/567604281.db2.gz TTXSGYHVIYEZPW-GFCCVEGCSA-N -2 3 396.690 3.024 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](Cc2cccc(C)c2)C(=O)[O-])sc1Cl ZINC000530487946 567606043 /nfs/dbraw/zinc/60/60/43/567606043.db2.gz NZYGDEVFGPQFHW-CYBMUJFWSA-N -2 3 387.910 3.240 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CC3CCC3)C(=O)[O-])s2)cs1 ZINC000530526365 567607825 /nfs/dbraw/zinc/60/78/25/567607825.db2.gz KUXZWRAORKBKBI-LLVKDONJSA-N -2 3 386.520 3.102 20 0 GGADHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccsc1 ZINC000506554595 567630935 /nfs/dbraw/zinc/63/09/35/567630935.db2.gz JQJLPUQIOKCSJR-UHFFFAOYSA-N -2 3 394.499 3.350 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(Br)c1 ZINC000530907291 567631809 /nfs/dbraw/zinc/63/18/09/567631809.db2.gz XYFPBWDBKHDGIB-UHFFFAOYSA-N -2 3 388.214 3.396 20 0 GGADHL CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000506676646 567638786 /nfs/dbraw/zinc/63/87/86/567638786.db2.gz QJPIIHVNBXXEPI-UHFFFAOYSA-N -2 3 382.825 3.106 20 0 GGADHL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000481454630 567679707 /nfs/dbraw/zinc/67/97/07/567679707.db2.gz SSHMRKXFAMMVJB-UHFFFAOYSA-N -2 3 385.800 3.327 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000645944586 567684099 /nfs/dbraw/zinc/68/40/99/567684099.db2.gz GKAGRIRXYWIRIA-QMMMGPOBSA-N -2 3 377.340 3.345 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000645944585 567684227 /nfs/dbraw/zinc/68/42/27/567684227.db2.gz GKAGRIRXYWIRIA-MRVPVSSYSA-N -2 3 377.340 3.345 20 0 GGADHL CC(C)c1cc(C[N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])on1 ZINC000645970715 567684523 /nfs/dbraw/zinc/68/45/23/567684523.db2.gz VWWZTDOSTPEWME-UHFFFAOYSA-N -2 3 380.447 3.189 20 0 GGADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000645979081 567686307 /nfs/dbraw/zinc/68/63/07/567686307.db2.gz UVDVAFHTNXRBCF-UHFFFAOYSA-N -2 3 387.866 3.076 20 0 GGADHL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1)C(=O)[O-] ZINC000507622460 567690431 /nfs/dbraw/zinc/69/04/31/567690431.db2.gz TUYXHMAXOLVJMK-GFCCVEGCSA-N -2 3 380.491 3.119 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)ccc1C(=O)[O-] ZINC000507937965 567716889 /nfs/dbraw/zinc/71/68/89/567716889.db2.gz NEBAVNOBELUNAV-UHFFFAOYSA-N -2 3 375.324 3.235 20 0 GGADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2ccccc2Br)c1 ZINC000554531502 567733696 /nfs/dbraw/zinc/73/36/96/567733696.db2.gz FRHOZWNBMLJTFC-UHFFFAOYSA-N -2 3 388.214 3.228 20 0 GGADHL COc1ccc(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])c(Cl)c1Cl ZINC000574019632 567751392 /nfs/dbraw/zinc/75/13/92/567751392.db2.gz DJSCCUBPWPHKRX-ZJUUUORDSA-N -2 3 396.292 3.314 20 0 GGADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000555119570 567769222 /nfs/dbraw/zinc/76/92/22/567769222.db2.gz OAMPYJRURAYSRE-UHFFFAOYSA-N -2 3 388.214 3.016 20 0 GGADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000574282107 567769260 /nfs/dbraw/zinc/76/92/60/567769260.db2.gz OGQKHGRIEZMPLE-UHFFFAOYSA-N -2 3 381.372 3.256 20 0 GGADHL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000534235806 567804376 /nfs/dbraw/zinc/80/43/76/567804376.db2.gz QEQBHYMWCYZFEU-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3c(O)cccc3Cl)c1)CCCC2 ZINC000647919380 567806693 /nfs/dbraw/zinc/80/66/93/567806693.db2.gz ZXIBPGZBOWAHMR-UHFFFAOYSA-N -2 3 381.837 3.423 20 0 GGADHL Cc1cc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(C)c1 ZINC000737249041 598867376 /nfs/dbraw/zinc/86/73/76/598867376.db2.gz QSLHBORGGLABPS-UHFFFAOYSA-N -2 3 377.857 3.246 20 0 GGADHL Cc1cc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c(C)c1 ZINC000737249041 598867377 /nfs/dbraw/zinc/86/73/77/598867377.db2.gz QSLHBORGGLABPS-UHFFFAOYSA-N -2 3 377.857 3.246 20 0 GGADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccccc1OCC(C)C ZINC000737301069 598930056 /nfs/dbraw/zinc/93/00/56/598930056.db2.gz HFHAKJCEMHGWDU-UHFFFAOYSA-N -2 3 387.465 3.011 20 0 GGADHL COc1ccc(C=C(CC(=O)[O-])c2nc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000737083865 599153883 /nfs/dbraw/zinc/15/38/83/599153883.db2.gz PWKFFHCLEYYCOM-WQLSENKSSA-N -2 3 377.360 3.032 20 0 GGADHL COc1ccc(C=C(CC(=O)[O-])c2nc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000737083865 599153884 /nfs/dbraw/zinc/15/38/84/599153884.db2.gz PWKFFHCLEYYCOM-WQLSENKSSA-N -2 3 377.360 3.032 20 0 GGADHL Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3-c3nnn[n-]3)cc2)cs1 ZINC000737463427 598513108 /nfs/dbraw/zinc/51/31/08/598513108.db2.gz RPPXKLNQNBBHIP-UHFFFAOYSA-N -2 3 398.473 3.099 20 0 GGADHL Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)cc2)cs1 ZINC000737463427 598513109 /nfs/dbraw/zinc/51/31/09/598513109.db2.gz RPPXKLNQNBBHIP-UHFFFAOYSA-N -2 3 398.473 3.099 20 0 GGADHL CCC(CC)(CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)[O-] ZINC000820881923 599300400 /nfs/dbraw/zinc/30/04/00/599300400.db2.gz FPEWDMSNUXWBKW-UHFFFAOYSA-N -2 3 385.346 3.105 20 0 GGADHL CCC(CC)(CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)[O-] ZINC000820881923 599300403 /nfs/dbraw/zinc/30/04/03/599300403.db2.gz FPEWDMSNUXWBKW-UHFFFAOYSA-N -2 3 385.346 3.105 20 0 GGADHL O=C([O-])CC1(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCC1 ZINC000823387813 599301194 /nfs/dbraw/zinc/30/11/94/599301194.db2.gz YWUDASIVOWVLQT-UHFFFAOYSA-N -2 3 397.357 3.249 20 0 GGADHL O=C([O-])CC1(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCC1 ZINC000823387813 599301197 /nfs/dbraw/zinc/30/11/97/599301197.db2.gz YWUDASIVOWVLQT-UHFFFAOYSA-N -2 3 397.357 3.249 20 0 GGADHL C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820396565 599553041 /nfs/dbraw/zinc/55/30/41/599553041.db2.gz GWDXGVZVFZMBPL-QMMMGPOBSA-N -2 3 378.219 3.370 20 0 GGADHL C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820396565 599553042 /nfs/dbraw/zinc/55/30/42/599553042.db2.gz GWDXGVZVFZMBPL-QMMMGPOBSA-N -2 3 378.219 3.370 20 0 GGADHL CCC[C@](C)([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000736958383 599743168 /nfs/dbraw/zinc/74/31/68/599743168.db2.gz AEADDCOGSZZNFZ-LBPRGKRZSA-N -2 3 384.679 3.024 20 0 GGADHL CC(C)COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000736446535 599778952 /nfs/dbraw/zinc/77/89/52/599778952.db2.gz VKSZCBJQEWEWDO-UHFFFAOYSA-N -2 3 395.477 3.269 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](COc2ccccc2)c2ccccc2)o1 ZINC000740174442 599780581 /nfs/dbraw/zinc/78/05/81/599780581.db2.gz YTYODHIASNEQIX-MRXNPFEDSA-N -2 3 387.413 3.076 20 0 GGADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)c1 ZINC000591683114 599850542 /nfs/dbraw/zinc/85/05/42/599850542.db2.gz MKIJKOCVENGLRB-UHFFFAOYSA-N -2 3 384.413 3.160 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1 ZINC000519217842 599851083 /nfs/dbraw/zinc/85/10/83/599851083.db2.gz YYBNXOVRHOKUIE-UHFFFAOYSA-N -2 3 384.413 3.160 20 0 GGADHL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000738202258 599852203 /nfs/dbraw/zinc/85/22/03/599852203.db2.gz ARHNBJHEVRXQQR-MRXNPFEDSA-N -2 3 382.441 3.196 20 0 GGADHL O=C([O-])c1sc2ccccc2c1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000739435453 599872738 /nfs/dbraw/zinc/87/27/38/599872738.db2.gz CTQQMSUMHMJVIJ-UHFFFAOYSA-N -2 3 378.409 3.371 20 0 GGADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(NC(=O)C(C)C)cc1 ZINC000477422086 599905116 /nfs/dbraw/zinc/90/51/16/599905116.db2.gz KXZBPDVZQCOEAP-UHFFFAOYSA-N -2 3 376.434 3.089 20 0 GGADHL COCCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1Cl ZINC000477430597 599906973 /nfs/dbraw/zinc/90/69/73/599906973.db2.gz HEDKKFIPGUSJEK-UHFFFAOYSA-N -2 3 399.852 3.173 20 0 GGADHL Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477430374 599907267 /nfs/dbraw/zinc/90/72/67/599907267.db2.gz ZACIGVMHJQZNSW-UHFFFAOYSA-N -2 3 399.428 3.385 20 0 GGADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(SC(=O)N(C)C)c1 ZINC000738348242 599924489 /nfs/dbraw/zinc/92/44/89/599924489.db2.gz ZBYBJZGNSSVGLR-UHFFFAOYSA-N -2 3 394.474 3.268 20 0 GGADHL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000740120077 600057729 /nfs/dbraw/zinc/05/77/29/600057729.db2.gz DFDVMDHWDCUHGQ-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cccnc1Cl ZINC000740122369 600058040 /nfs/dbraw/zinc/05/80/40/600058040.db2.gz AQYLIQZSAYOACC-UHFFFAOYSA-N -2 3 380.731 3.253 20 0 GGADHL Cc1nc(C)c(CCC(=O)Nc2cccc(CSCCC(=O)[O-])c2)c(=O)[n-]1 ZINC000738846537 600068213 /nfs/dbraw/zinc/06/82/13/600068213.db2.gz DRDUPGPZOLUATC-UHFFFAOYSA-N -2 3 389.477 3.078 20 0 GGADHL CCc1cc(=O)[n-]c(-c2ccc(NCc3ccc(OC)c(C(=O)[O-])c3)nc2)n1 ZINC000737250365 600074992 /nfs/dbraw/zinc/07/49/92/600074992.db2.gz FZYVSIAFLUWUJG-UHFFFAOYSA-N -2 3 380.404 3.126 20 0 GGADHL Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738409305 600092803 /nfs/dbraw/zinc/09/28/03/600092803.db2.gz SMXOTGDRCLKHDY-UHFFFAOYSA-N -2 3 378.425 3.233 20 0 GGADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000740143053 600093425 /nfs/dbraw/zinc/09/34/25/600093425.db2.gz ASMZUJDJLIHYGD-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000738546347 600179112 /nfs/dbraw/zinc/17/91/12/600179112.db2.gz VGSHPMMVFUXDHK-UHFFFAOYSA-N -2 3 378.425 3.233 20 0 GGADHL CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000265313495 600210945 /nfs/dbraw/zinc/21/09/45/600210945.db2.gz YIAGDOHDOKKAPT-VWLOTQADSA-N -2 3 395.502 3.233 20 0 GGADHL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000036751796 600235839 /nfs/dbraw/zinc/23/58/39/600235839.db2.gz TZONMPVCRHJCST-UHFFFAOYSA-N -2 3 380.216 3.149 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c(C)c1C ZINC000738064238 600299499 /nfs/dbraw/zinc/29/94/99/600299499.db2.gz ZXUSDKIEGWNQCW-UHFFFAOYSA-N -2 3 393.461 3.356 20 0 GGADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])c(F)cc3F)cc2)co1 ZINC000738829628 600300121 /nfs/dbraw/zinc/30/01/21/600300121.db2.gz OTGGBLCGUMHQCZ-UHFFFAOYSA-N -2 3 394.355 3.427 20 0 GGADHL CN(C)c1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)cc1 ZINC000737375869 600360550 /nfs/dbraw/zinc/36/05/50/600360550.db2.gz OEHVRVDQSUMKNY-UHFFFAOYSA-N -2 3 399.266 3.014 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1OCC(F)(F)F ZINC000606343176 600394962 /nfs/dbraw/zinc/39/49/62/600394962.db2.gz HCHXLOCVFGZOCT-UHFFFAOYSA-N -2 3 389.351 3.435 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc1OCC(F)(F)F ZINC000738463841 600395139 /nfs/dbraw/zinc/39/51/39/600395139.db2.gz PTLHBCYCEZJDPO-UHFFFAOYSA-N -2 3 389.351 3.435 20 0 GGADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000565750977 600451724 /nfs/dbraw/zinc/45/17/24/600451724.db2.gz PCNKYWUGPBYCJG-HNNXBMFYSA-N -2 3 380.466 3.083 20 0 GGADHL Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)c([O-])c1 ZINC000262818874 600485311 /nfs/dbraw/zinc/48/53/11/600485311.db2.gz PKIMMPLHCUXWLB-KRWDZBQOSA-N -2 3 382.416 3.032 20 0 GGADHL Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)c1[O-] ZINC000738693628 600485407 /nfs/dbraw/zinc/48/54/07/600485407.db2.gz VKPZZVJPOOQZMO-KRWDZBQOSA-N -2 3 382.416 3.032 20 0 GGADHL CC(C)Oc1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1-c1nnn[n-]1 ZINC000820173362 607447333 /nfs/dbraw/zinc/44/73/33/607447333.db2.gz BPIUNQMNCWNSAG-UHFFFAOYSA-N -2 3 396.432 3.336 20 0 GGADHL CC(C)Oc1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1-c1nn[n-]n1 ZINC000820173362 607447335 /nfs/dbraw/zinc/44/73/35/607447335.db2.gz BPIUNQMNCWNSAG-UHFFFAOYSA-N -2 3 396.432 3.336 20 0 GGADHL Cc1ccc([O-])c(C(=O)Nc2cccc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2)c1 ZINC000738635975 600487249 /nfs/dbraw/zinc/48/72/49/600487249.db2.gz KEIGVHBPOAKDAI-KRWDZBQOSA-N -2 3 382.416 3.032 20 0 GGADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000738997137 600487531 /nfs/dbraw/zinc/48/75/31/600487531.db2.gz UQSBBEKZCCNIGG-UHFFFAOYSA-N -2 3 386.795 3.155 20 0 GGADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC000737210066 600488662 /nfs/dbraw/zinc/48/86/62/600488662.db2.gz IDLFBQIGXZZBQI-UHFFFAOYSA-N -2 3 379.434 3.130 20 0 GGADHL O=C([O-])CCCCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000238129848 600537086 /nfs/dbraw/zinc/53/70/86/600537086.db2.gz MGVODBCIIFOHBS-UHFFFAOYSA-N -2 3 395.253 3.056 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)cc1C(=O)[O-] ZINC000055574102 600541132 /nfs/dbraw/zinc/54/11/32/600541132.db2.gz WHZHYGUKWDVDED-UHFFFAOYSA-N -2 3 391.232 3.083 20 0 GGADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)CCCC2)n1 ZINC000185025533 600543230 /nfs/dbraw/zinc/54/32/30/600543230.db2.gz GAQNTHVSZIXTID-UHFFFAOYSA-N -2 3 384.454 3.037 20 0 GGADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c(C)c1 ZINC000055687683 600543813 /nfs/dbraw/zinc/54/38/13/600543813.db2.gz LDRLBNQKPOVFBU-UHFFFAOYSA-N -2 3 379.434 3.291 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000060417614 600544093 /nfs/dbraw/zinc/54/40/93/600544093.db2.gz YQHSQHJSHMXCLE-UHFFFAOYSA-N -2 3 393.314 3.352 20 0 GGADHL CCOC(=O)c1sc2[n-]c([C@H](C)S[C@@H](C)CC(=O)[O-])nc(=O)c2c1C ZINC000737157731 600594787 /nfs/dbraw/zinc/59/47/87/600594787.db2.gz WXZHOZMDROLSHP-CBAPKCEASA-N -2 3 384.479 3.127 20 0 GGADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)cc1 ZINC000739886692 600629561 /nfs/dbraw/zinc/62/95/61/600629561.db2.gz VJLCXEXMNJETOH-UHFFFAOYSA-N -2 3 398.440 3.089 20 0 GGADHL CC(=O)c1ccc(-c2ccc(C(=O)[N-]c3nnc(CCC(=O)[O-])s3)o2)cc1 ZINC000736186079 600630415 /nfs/dbraw/zinc/63/04/15/600630415.db2.gz UDMIATMTSQHWEU-UHFFFAOYSA-N -2 3 385.401 3.270 20 0 GGADHL C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736785774 600632670 /nfs/dbraw/zinc/63/26/70/600632670.db2.gz RIHKZLWRGCYBLX-PELKAZGASA-N -2 3 394.262 3.143 20 0 GGADHL CCC(C)(CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736859651 600635060 /nfs/dbraw/zinc/63/50/60/600635060.db2.gz XYVWIOAVSPZHHM-UHFFFAOYSA-N -2 3 382.251 3.143 20 0 GGADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3c2ccc(Cl)c3Cl)o1 ZINC000740175732 600651785 /nfs/dbraw/zinc/65/17/85/600651785.db2.gz XMTFDHAWWCQMLZ-JTQLQIEISA-N -2 3 376.217 3.250 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-]CCCCCCC(=O)[O-])s1 ZINC000776441356 600699943 /nfs/dbraw/zinc/69/99/43/600699943.db2.gz JHPKWPCSVUOQFH-UHFFFAOYSA-N -2 3 384.317 3.132 20 0 GGADHL Cc1cc(Br)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)s1 ZINC000832859355 600701700 /nfs/dbraw/zinc/70/17/00/600701700.db2.gz ZHZVRAQQOYYTIC-UHFFFAOYSA-N -2 3 396.328 3.275 20 0 GGADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)c1 ZINC000833297489 600702518 /nfs/dbraw/zinc/70/25/18/600702518.db2.gz OTXCOEFQVBBPIG-UHFFFAOYSA-N -2 3 377.809 3.025 20 0 GGADHL C/C(=C/CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)[O-] ZINC000825792317 600727257 /nfs/dbraw/zinc/72/72/57/600727257.db2.gz CGOIYJBOKPWKDF-UITAMQMPSA-N -2 3 376.825 3.298 20 0 GGADHL CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000828738327 600782366 /nfs/dbraw/zinc/78/23/66/600782366.db2.gz NREUWXSGDKKVTE-RKDXNWHRSA-N -2 3 396.278 3.389 20 0 GGADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000042793679 600810349 /nfs/dbraw/zinc/81/03/49/600810349.db2.gz ZAGQWJNWFBTTJL-UHFFFAOYSA-N -2 3 378.406 3.062 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC[C@@H]3CCCO3)cc2)cc1C(=O)[O-] ZINC000055631609 600811683 /nfs/dbraw/zinc/81/16/83/600811683.db2.gz PUSATIPOFSUDPR-INIZCTEOSA-N -2 3 391.445 3.052 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)cc1C(=O)[O-] ZINC000728514350 600814844 /nfs/dbraw/zinc/81/48/44/600814844.db2.gz IUHYKZJEWBTVGK-UHFFFAOYSA-N -2 3 398.440 3.468 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)C)c(F)c2)cc1C(=O)[O-] ZINC000832955793 600829563 /nfs/dbraw/zinc/82/95/63/600829563.db2.gz HHRFPMSKOPLRMF-UHFFFAOYSA-N -2 3 380.441 3.478 20 0 GGADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1Cl ZINC000506710107 600890134 /nfs/dbraw/zinc/89/01/34/600890134.db2.gz CRRGLOZHIZDHJW-UHFFFAOYSA-N -2 3 399.852 3.173 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)ccc1C(=O)[O-] ZINC000738477095 600890487 /nfs/dbraw/zinc/89/04/87/600890487.db2.gz LTSKMYLZZSCTNX-UHFFFAOYSA-N -2 3 378.425 3.233 20 0 GGADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000739686987 600894752 /nfs/dbraw/zinc/89/47/52/600894752.db2.gz JSKUWLIVTRRZQO-UHFFFAOYSA-N -2 3 386.429 3.279 20 0 GGADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000525532709 600896274 /nfs/dbraw/zinc/89/62/74/600896274.db2.gz BVVLIKASGZYCTB-UHFFFAOYSA-N -2 3 389.351 3.299 20 0 GGADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1 ZINC000738546132 600897190 /nfs/dbraw/zinc/89/71/90/600897190.db2.gz HMSPMDJDFKEGCK-UHFFFAOYSA-N -2 3 392.502 3.047 20 0 GGADHL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)nn1 ZINC000607616707 600897297 /nfs/dbraw/zinc/89/72/97/600897297.db2.gz VOGKPIKMYCCBKR-UHFFFAOYSA-N -2 3 385.401 3.076 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)ccc1OC(C)C ZINC000738463898 600898417 /nfs/dbraw/zinc/89/84/17/600898417.db2.gz SOGDYXVYUJJBGH-UHFFFAOYSA-N -2 3 393.461 3.437 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)c(N3CCCC3)c(F)c2)ccc1C(=O)[O-] ZINC000832903499 600981160 /nfs/dbraw/zinc/98/11/60/600981160.db2.gz JSVUHAJXBRPRSQ-UHFFFAOYSA-N -2 3 396.415 3.372 20 0 GGADHL CN1CCCc2cc([N-]S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)ccc21 ZINC000830946414 600981428 /nfs/dbraw/zinc/98/14/28/600981428.db2.gz MKJHHPWQDUSOLN-UHFFFAOYSA-N -2 3 380.853 3.221 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)c1F ZINC000833294310 600990691 /nfs/dbraw/zinc/99/06/91/600990691.db2.gz QKGGDSXCPUCCNV-UHFFFAOYSA-N -2 3 396.198 3.448 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2CCCc3ccccc32)c1F ZINC000833294355 600993763 /nfs/dbraw/zinc/99/37/63/600993763.db2.gz QXMPMFIKWSULQS-LBPRGKRZSA-N -2 3 381.400 3.061 20 0 GGADHL O=C([O-])c1ccsc1N1CC[C@@H](OC(=O)c2cc(Cl)c(Cl)[n-]2)C1=O ZINC000833351647 601096619 /nfs/dbraw/zinc/09/66/19/601096619.db2.gz OJVLPMUSSYYUEB-SECBINFHSA-N -2 3 389.216 3.044 20 0 GGADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cccc(C(F)(F)F)c2F)s1 ZINC000833232403 601159314 /nfs/dbraw/zinc/15/93/14/601159314.db2.gz RDAWXRAGLBUDPB-UHFFFAOYSA-N -2 3 377.319 3.356 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000833027042 601214558 /nfs/dbraw/zinc/21/45/58/601214558.db2.gz AFFBPGCCRKXWDM-QMMMGPOBSA-N -2 3 388.239 3.088 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccccc2Br)cc1C(=O)[O-] ZINC000833027568 601214595 /nfs/dbraw/zinc/21/45/95/601214595.db2.gz HBTOSZNNNXVPHW-MRVPVSSYSA-N -2 3 388.239 3.088 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(OC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000570206973 601215946 /nfs/dbraw/zinc/21/59/46/601215946.db2.gz HMHOXTPLVPBTFZ-QMMMGPOBSA-N -2 3 393.339 3.224 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cc1C(=O)[O-] ZINC000577748675 601219580 /nfs/dbraw/zinc/21/95/80/601219580.db2.gz LIQSLZMHRJPOJG-WCQYABFASA-N -2 3 389.351 3.139 20 0 GGADHL Cc1oc(S(=O)(=O)[N-]Cc2cc(Cl)ccc2OC(F)F)cc1C(=O)[O-] ZINC000833027068 601224198 /nfs/dbraw/zinc/22/41/98/601224198.db2.gz OBJULFLLFSTGLB-UHFFFAOYSA-N -2 3 395.767 3.020 20 0 GGADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(-c3cccnc3)cc2)cc1C(=O)[O-] ZINC000833028172 601225792 /nfs/dbraw/zinc/22/57/92/601225792.db2.gz LBJZZOOUIDZVMA-GFCCVEGCSA-N -2 3 386.429 3.388 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)c1F ZINC000326937405 601229035 /nfs/dbraw/zinc/22/90/35/601229035.db2.gz WQTDXINKHQDGDU-LLVKDONJSA-N -2 3 385.413 3.178 20 0 GGADHL Cc1ccc(OCCCC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832952554 601231888 /nfs/dbraw/zinc/23/18/88/601231888.db2.gz RCZRUZUPJDCSGZ-UHFFFAOYSA-N -2 3 399.415 3.109 20 0 GGADHL Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832964415 601232999 /nfs/dbraw/zinc/23/29/99/601232999.db2.gz DCFLYVLGTNIFNV-GFCCVEGCSA-N -2 3 399.415 3.026 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCC2)c1F ZINC000833295611 601233234 /nfs/dbraw/zinc/23/32/34/601233234.db2.gz WQZZLIQKCOLGKI-UHFFFAOYSA-N -2 3 385.363 3.160 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCCCc3ccccc32)c1F ZINC000833295195 601234289 /nfs/dbraw/zinc/23/42/89/601234289.db2.gz OKNKLOZTFLQIPO-CQSZACIVSA-N -2 3 381.400 3.409 20 0 GGADHL CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000829222553 601234806 /nfs/dbraw/zinc/23/48/06/601234806.db2.gz CYKFNYUOYLNHKV-CYBMUJFWSA-N -2 3 383.416 3.353 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CC2)c1F ZINC000833294714 601236494 /nfs/dbraw/zinc/23/64/94/601236494.db2.gz GOQPLXIQFZAKLR-UHFFFAOYSA-N -2 3 387.791 3.284 20 0 GGADHL CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Cc1ccccc1 ZINC000826611500 601236814 /nfs/dbraw/zinc/23/68/14/601236814.db2.gz IKKXLDGCOXWWSO-UHFFFAOYSA-N -2 3 383.416 3.210 20 0 GGADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2Cc2ccccc2)c1F ZINC000833295336 601237595 /nfs/dbraw/zinc/23/75/95/601237595.db2.gz QRYIGEVODMVQLT-ZFWWWQNUSA-N -2 3 395.427 3.353 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1OCC ZINC000007050932 601318139 /nfs/dbraw/zinc/31/81/39/601318139.db2.gz LLRGTZLFPDIKIU-UHFFFAOYSA-N -2 3 383.397 3.122 20 0 GGADHL Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000832891628 601319355 /nfs/dbraw/zinc/31/93/55/601319355.db2.gz UHMPSDSNWQSZHE-IZZDOVSWSA-N -2 3 386.473 3.494 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)ccc1F ZINC000067946044 601329354 /nfs/dbraw/zinc/32/93/54/601329354.db2.gz KXPBRCBBPWQJHU-UHFFFAOYSA-N -2 3 381.278 3.483 20 0 GGADHL CSCCc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000832766512 601330540 /nfs/dbraw/zinc/33/05/40/601330540.db2.gz BFROFFKGRAAWSC-IZZDOVSWSA-N -2 3 377.487 3.491 20 0 GGADHL CCOC(=O)C(=Cc1ccc(C(=O)[O-])[nH]1)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000829818124 601330854 /nfs/dbraw/zinc/33/08/54/601330854.db2.gz QMRVBIDBACAJJI-YRNVUSSQSA-N -2 3 387.417 3.144 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)ccc1F ZINC000314384537 601331194 /nfs/dbraw/zinc/33/11/94/601331194.db2.gz URUUOPYFTKWYKX-UHFFFAOYSA-N -2 3 392.177 3.226 20 0 GGADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000484810945 601334480 /nfs/dbraw/zinc/33/44/80/601334480.db2.gz QGRBSZXBHAZYCF-UHFFFAOYSA-N -2 3 389.351 3.435 20 0 GGADHL CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1F ZINC000737635780 601360088 /nfs/dbraw/zinc/36/00/88/601360088.db2.gz GICFEKMZHDPKHT-UHFFFAOYSA-N -2 3 384.404 3.308 20 0 GGADHL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)ccc1N1CCCC1 ZINC000832900053 601360329 /nfs/dbraw/zinc/36/03/29/601360329.db2.gz ZTHHXFAQPCFLNG-WDZFZDKYSA-N -2 3 386.473 3.494 20 0 GGADHL O=C([O-])Nc1cccc(C(=O)Nc2cc(I)ccc2[O-])c1 ZINC000833291606 601383715 /nfs/dbraw/zinc/38/37/15/601383715.db2.gz MYVDJXZLZBEGQZ-UHFFFAOYSA-N -2 3 398.156 3.339 20 0 GGADHL COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(C(=O)[O-])[nH]3)nc(=O)c2c1C ZINC000831479562 601445228 /nfs/dbraw/zinc/44/52/28/601445228.db2.gz QLRIVBKODOGSGR-YVMONPNESA-N -2 3 393.808 3.255 20 0 GGADHL COc1ccc(F)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC000832373680 601492329 /nfs/dbraw/zinc/49/23/29/601492329.db2.gz FQYLIRMNQYTHDV-UHFFFAOYSA-N -2 3 393.314 3.352 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)cc(F)c1F ZINC000184897812 601568358 /nfs/dbraw/zinc/56/83/58/601568358.db2.gz MBZOJQQVTGKBRL-SFYZADRCSA-N -2 3 387.326 3.062 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc(F)c1F ZINC000184897796 601568513 /nfs/dbraw/zinc/56/85/13/601568513.db2.gz MBZOJQQVTGKBRL-HTQZYQBOSA-N -2 3 387.326 3.062 20 0 GGADHL Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])cc(C)c1OCC(=O)[O-] ZINC000832865112 601675731 /nfs/dbraw/zinc/67/57/31/601675731.db2.gz MSJXKLPREHNKPD-UHFFFAOYSA-N -2 3 394.221 3.487 20 0 GGADHL CC1(C)Cc2ccc(C(=O)Nc3nc(CCCC(=O)[O-])cs3)c([O-])c2O1 ZINC000828081844 601801827 /nfs/dbraw/zinc/80/18/27/601801827.db2.gz CMUKSPCCDUHJRW-UHFFFAOYSA-N -2 3 376.434 3.222 20 0 GGADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000831779295 601829676 /nfs/dbraw/zinc/82/96/76/601829676.db2.gz HPNAOPCEKVDWNO-UHFFFAOYSA-N -2 3 399.852 3.173 20 0 GGADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(CCC(=O)[O-])cc3)ccc2O1 ZINC000828082922 601830671 /nfs/dbraw/zinc/83/06/71/601830671.db2.gz YPFFZLBNAIBDJO-UHFFFAOYSA-N -2 3 375.446 3.218 20 0 GGADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1 ZINC000833293875 601847944 /nfs/dbraw/zinc/84/79/44/601847944.db2.gz BZPCPMIFYXVJCY-UHFFFAOYSA-N -2 3 378.425 3.315 20 0 GGADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(C)c3)cc2F)c1 ZINC000466257154 601860360 /nfs/dbraw/zinc/86/03/60/601860360.db2.gz PFSOWWAIGTZYFA-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL Cc1nc(-c2ccc(NC(=O)NCc3cccc(C(=O)[O-])c3)cc2)cc(=O)[n-]1 ZINC000821152546 601885222 /nfs/dbraw/zinc/88/52/22/601885222.db2.gz FSBBSIVUDQMLRU-UHFFFAOYSA-N -2 3 378.388 3.178 20 0 GGADHL O=C([O-])C[C@H]1CSCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000833222844 601888604 /nfs/dbraw/zinc/88/86/04/601888604.db2.gz BXAIEGLYRJLBCY-JTQLQIEISA-N -2 3 391.474 3.049 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)c1-c1nnn[n-]1 ZINC000826304031 607536554 /nfs/dbraw/zinc/53/65/54/607536554.db2.gz SEOSZVFHNHTEOO-UHFFFAOYSA-N -2 3 397.432 3.291 20 0 GGADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)c1-c1nn[n-]n1 ZINC000826304031 607536556 /nfs/dbraw/zinc/53/65/56/607536556.db2.gz SEOSZVFHNHTEOO-UHFFFAOYSA-N -2 3 397.432 3.291 20 0 GGADHL Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)ccc2C)n1 ZINC000832988036 601989562 /nfs/dbraw/zinc/98/95/62/601989562.db2.gz QWBQGXYPLLAQTO-UHFFFAOYSA-N -2 3 388.401 3.163 20 0 GGADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(Cl)n1 ZINC000769637428 602106414 /nfs/dbraw/zinc/10/64/14/602106414.db2.gz GHNCQQGCEDEROI-UHFFFAOYSA-N -2 3 395.195 3.035 20 0 GGADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1F ZINC000832011372 602122224 /nfs/dbraw/zinc/12/22/24/602122224.db2.gz VNBNEMOMZLCWSL-UHFFFAOYSA-N -2 3 377.752 3.126 20 0 GGADHL Cc1ccccc1[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000237506809 602141243 /nfs/dbraw/zinc/14/12/43/602141243.db2.gz JXUVKVZQVVGCNH-VIFPVBQESA-N -2 3 388.239 3.088 20 0 GGADHL Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)s1 ZINC000055329775 602146636 /nfs/dbraw/zinc/14/66/36/602146636.db2.gz GSAKAKXPANTHPA-SSDOTTSWSA-N -2 3 394.268 3.150 20 0 GGADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccccc1 ZINC000315466873 602149341 /nfs/dbraw/zinc/14/93/41/602149341.db2.gz XZENDZBCIYBVIL-SNVBAGLBSA-N -2 3 388.239 3.170 20 0 GGADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccccc1 ZINC000315466872 602149380 /nfs/dbraw/zinc/14/93/80/602149380.db2.gz XZENDZBCIYBVIL-JTQLQIEISA-N -2 3 388.239 3.170 20 0 GGADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)ccc1F ZINC000833306022 602169201 /nfs/dbraw/zinc/16/92/01/602169201.db2.gz KZZADHDGJVFRLB-UHFFFAOYSA-N -2 3 389.408 3.469 20 0 GGADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000833334780 602175872 /nfs/dbraw/zinc/17/58/72/602175872.db2.gz GVBIONJKNONECR-UHFFFAOYSA-N -2 3 394.412 3.124 20 0 GGADHL CC(C)(C(=O)[O-])[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1 ZINC000826105615 602216792 /nfs/dbraw/zinc/21/67/92/602216792.db2.gz DRLSLIDAIYUJEG-OAHLLOKOSA-N -2 3 387.379 3.234 20 0 GGADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1F ZINC000677234954 602322669 /nfs/dbraw/zinc/32/26/69/602322669.db2.gz VFRDFFMGIRQZPV-UHFFFAOYSA-N -2 3 393.314 3.266 20 0 GGADHL Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@H](CC(=O)[O-])c4ccccc43)c[n-]c12 ZINC000832888697 604287114 /nfs/dbraw/zinc/28/71/14/604287114.db2.gz ZOSBLKXFWMQELD-LBPRGKRZSA-N -2 3 380.375 3.194 20 0 GGADHL COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccco1 ZINC000832597429 604363950 /nfs/dbraw/zinc/36/39/50/604363950.db2.gz XHRRTRLJFDAYNN-INIZCTEOSA-N -2 3 393.442 3.116 20 0 GGADHL Cc1oc(CN(C)C(=O)NCc2ccc([O-])c(Br)c2)cc1C(=O)[O-] ZINC000833025332 604540585 /nfs/dbraw/zinc/54/05/85/604540585.db2.gz HMRSYDJVIVVFCR-UHFFFAOYSA-N -2 3 397.225 3.096 20 0 GGADHL CC1=C(C(=O)[O-])[C@@H](c2ccc([O-])c(F)c2)NC(=O)N1CCc1cccs1 ZINC000833577002 604556774 /nfs/dbraw/zinc/55/67/74/604556774.db2.gz NVJVQGUOCSQORD-MRXNPFEDSA-N -2 3 376.409 3.260 20 0 GGADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000829538099 604806610 /nfs/dbraw/zinc/80/66/10/604806610.db2.gz ZOLSMEMYBDNQHS-UHFFFAOYSA-N -2 3 399.852 3.393 20 0 GGADHL COC(=O)c1cccc2[n-]c(NC(=O)c3ccccc3S[C@@H](C)C(=O)[O-])nc21 ZINC000833717353 604869874 /nfs/dbraw/zinc/86/98/74/604869874.db2.gz ZLSSFPKKOMKEHI-JTQLQIEISA-N -2 3 399.428 3.167 20 0 GGADHL O=C([O-])CCc1csc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)n1 ZINC000833240962 604889799 /nfs/dbraw/zinc/88/97/99/604889799.db2.gz SUOZCAXEOHHSEV-UHFFFAOYSA-N -2 3 385.401 3.003 20 0 GGADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000833506454 605006206 /nfs/dbraw/zinc/00/62/06/605006206.db2.gz CQKKVWWWFKTNDJ-UHFFFAOYSA-N -2 3 378.450 3.384 20 0 GGADHL Cc1cccc(C2(C[N-]S(=O)(=O)c3csnc3C(=O)[O-])CCCCC2)c1 ZINC000833752290 605018577 /nfs/dbraw/zinc/01/85/77/605018577.db2.gz GJAZIJQDFBKXJC-UHFFFAOYSA-N -2 3 394.518 3.330 20 0 GGADHL CC(C)CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833483998 605022840 /nfs/dbraw/zinc/02/28/40/605022840.db2.gz HQMCKQZKIZSDSL-GFCCVEGCSA-N -2 3 398.506 3.306 20 0 GGADHL CC(C)COc1ccc(C(C)(C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833489707 605026538 /nfs/dbraw/zinc/02/65/38/605026538.db2.gz ZGASMFICQNIVRB-UHFFFAOYSA-N -2 3 398.506 3.090 20 0 GGADHL CC(C)(CCCc1ccccc1)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833457385 605027726 /nfs/dbraw/zinc/02/77/26/605027726.db2.gz YBYOZIINYNYICG-UHFFFAOYSA-N -2 3 382.507 3.169 20 0 GGADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC000833507074 605123863 /nfs/dbraw/zinc/12/38/63/605123863.db2.gz ZNXJRJPVARDAQG-UHFFFAOYSA-N -2 3 375.446 3.391 20 0 GGADHL CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000821613441 606196850 /nfs/dbraw/zinc/19/68/50/606196850.db2.gz NOYIJTHNHGTQPM-UHFFFAOYSA-N -2 3 378.219 3.151 20 0 GGADHL O=S(=O)([N-]c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cc2ccccc2o1 ZINC000823588726 606632940 /nfs/dbraw/zinc/63/29/40/606632940.db2.gz AGLOELZOVPUVHP-UHFFFAOYSA-N -2 3 375.797 3.067 20 0 GGADHL O=S(=O)([N-]c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc2ccccc2o1 ZINC000823588726 606632941 /nfs/dbraw/zinc/63/29/41/606632941.db2.gz AGLOELZOVPUVHP-UHFFFAOYSA-N -2 3 375.797 3.067 20 0 GGADHL O=C(c1c([O-])cc(Cl)cc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826468753 607961994 /nfs/dbraw/zinc/96/19/94/607961994.db2.gz GHOHZYHSCXTRCW-UHFFFAOYSA-N -2 3 376.203 3.082 20 0 GGADHL O=C(c1c([O-])cc(Cl)cc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826468753 607961995 /nfs/dbraw/zinc/96/19/95/607961995.db2.gz GHOHZYHSCXTRCW-UHFFFAOYSA-N -2 3 376.203 3.082 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC3(C(=O)[O-])CCCCC3)c2)n1 ZINC000055149667 1406893885 /nfs/dbraw/zinc/89/38/85/1406893885.db2.gz ZNKLBWKOOHAQQU-UHFFFAOYSA-N -2 3 383.448 3.363 20 0 GGADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1 ZINC000013278683 1399077661 /nfs/dbraw/zinc/07/76/61/1399077661.db2.gz WJCOYBAQLFSBRB-UHFFFAOYSA-N -2 3 390.200 3.221 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3c(F)cccc3F)c2)n1 ZINC000055621130 1407027768 /nfs/dbraw/zinc/02/77/68/1407027768.db2.gz PYWCHOPVNFXMNK-UHFFFAOYSA-N -2 3 391.399 3.078 20 0 GGADHL O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)Nc1ncccc1[O-] ZINC000022264967 1399448826 /nfs/dbraw/zinc/44/88/26/1399448826.db2.gz ZQFQCTACVHREHY-UHFFFAOYSA-N -2 3 384.461 3.359 20 0 GGADHL CC[C@@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000022415547 1399462190 /nfs/dbraw/zinc/46/21/90/1399462190.db2.gz MBLNSYUSXXWLKO-GFCCVEGCSA-N -2 3 378.450 3.186 20 0 GGADHL CC[C@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000022415549 1399462280 /nfs/dbraw/zinc/46/22/80/1399462280.db2.gz MBLNSYUSXXWLKO-LBPRGKRZSA-N -2 3 378.450 3.186 20 0 GGADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1C(=O)[O-] ZINC000055644794 1407040050 /nfs/dbraw/zinc/04/00/50/1407040050.db2.gz ULJFITJYGJVKLV-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2F)n1 ZINC000055649523 1407041598 /nfs/dbraw/zinc/04/15/98/1407041598.db2.gz CAEIPTLMIWGKBS-UHFFFAOYSA-N -2 3 389.408 3.127 20 0 GGADHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)ccc1[O-] ZINC000026545435 1399898550 /nfs/dbraw/zinc/89/85/50/1399898550.db2.gz OVHMWRSYVRKVCL-UHFFFAOYSA-N -2 3 376.362 3.416 20 0 GGADHL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)ccc1OC ZINC000042795569 1400417108 /nfs/dbraw/zinc/41/71/08/1400417108.db2.gz YCADLDKFRHCKPL-UHFFFAOYSA-N -2 3 379.434 3.210 20 0 GGADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000826250680 1428060247 /nfs/dbraw/zinc/06/02/47/1428060247.db2.gz MNPGIYAMHWYPHJ-UHFFFAOYSA-N -2 3 381.396 3.085 20 0 GGADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000059362134 1407920765 /nfs/dbraw/zinc/92/07/65/1407920765.db2.gz DDKHCINHMBFEHA-UHFFFAOYSA-N -2 3 392.452 3.244 20 0 GGADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000060417576 1407973858 /nfs/dbraw/zinc/97/38/58/1407973858.db2.gz OSBGDFAVQSXUCC-UHFFFAOYSA-N -2 3 393.314 3.109 20 0 GGADHL CC(C)(C)n1nc(C(=O)[N-]NC(=O)c2cc3ccccc3cc2[O-])cc1C1CC1 ZINC000060633441 1408015518 /nfs/dbraw/zinc/01/55/18/1408015518.db2.gz WSMDAZDYRUNYOL-UHFFFAOYSA-N -2 3 392.459 3.449 20 0 GGADHL O=C([N-]NC(=O)c1ccc(Cl)cc1[O-])c1cccnc1SC(F)(F)F ZINC000063096708 1408303692 /nfs/dbraw/zinc/30/36/92/1408303692.db2.gz NFZLGXYQHFGUAX-UHFFFAOYSA-N -2 3 391.758 3.127 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1OCC(=O)[O-] ZINC000063476316 1408360751 /nfs/dbraw/zinc/36/07/51/1408360751.db2.gz LJOMFXGUEIHRKX-UHFFFAOYSA-N -2 3 389.351 3.278 20 0 GGADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000063849258 1408427500 /nfs/dbraw/zinc/42/75/00/1408427500.db2.gz OZGAOPVUIXGLNN-UHFFFAOYSA-N -2 3 379.434 3.125 20 0 GGADHL CCOCc1cccc([N-]S(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)c1 ZINC000068076821 1409293667 /nfs/dbraw/zinc/29/36/67/1409293667.db2.gz GOXJOAAKVFHFCL-UHFFFAOYSA-N -2 3 379.434 3.121 20 0 GGADHL CC1(C)CCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000094167397 1410309251 /nfs/dbraw/zinc/30/92/51/1410309251.db2.gz QWNBTCKFZJIUCO-UHFFFAOYSA-N -2 3 394.880 3.471 20 0 GGADHL CCn1c(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2[n-]c1=S ZINC000107348845 1411363580 /nfs/dbraw/zinc/36/35/80/1411363580.db2.gz FQIXIJBVQWJOSU-UHFFFAOYSA-N -2 3 375.837 3.316 20 0 GGADHL O=C(c1ccccc1[O-])N1CCN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC1 ZINC000177056570 1428571836 /nfs/dbraw/zinc/57/18/36/1428571836.db2.gz LCJKHNBOZTWGGL-UHFFFAOYSA-N -2 3 395.242 3.003 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1C(C)C ZINC000432760592 1428785143 /nfs/dbraw/zinc/78/51/43/1428785143.db2.gz OOGYSSVLFYXESZ-UHFFFAOYSA-N -2 3 387.465 3.108 20 0 GGADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1C(C)C ZINC000432760592 1428785149 /nfs/dbraw/zinc/78/51/49/1428785149.db2.gz OOGYSSVLFYXESZ-UHFFFAOYSA-N -2 3 387.465 3.108 20 0 GGADHL Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc(Br)ccc3[O-])c[n-]c12 ZINC000121552904 1414174144 /nfs/dbraw/zinc/17/41/44/1414174144.db2.gz HZJMLSKLGJRIKY-UHFFFAOYSA-N -2 3 392.184 3.091 20 0 GGADHL Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc(C(=O)[O-])c1F ZINC000133531005 1416898914 /nfs/dbraw/zinc/89/89/14/1416898914.db2.gz HKJHYZXOGVBFBU-UHFFFAOYSA-N -2 3 396.415 3.372 20 0 GGADHL Cc1ccc(-c2csc([N-]C(=O)Cc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000822214274 1429142507 /nfs/dbraw/zinc/14/25/07/1429142507.db2.gz XJRHCOVKOBWFLQ-UHFFFAOYSA-N -2 3 376.445 3.480 20 0 GGADHL Cc1ccc(-c2csc([N-]C(=O)Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000822214274 1429142509 /nfs/dbraw/zinc/14/25/09/1429142509.db2.gz XJRHCOVKOBWFLQ-UHFFFAOYSA-N -2 3 376.445 3.480 20 0 GGADHL Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000826341176 1429185845 /nfs/dbraw/zinc/18/58/45/1429185845.db2.gz YZEMWYDFOINGSV-UHFFFAOYSA-N -2 3 384.783 3.170 20 0 GGADHL Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000826341176 1429185851 /nfs/dbraw/zinc/18/58/51/1429185851.db2.gz YZEMWYDFOINGSV-UHFFFAOYSA-N -2 3 384.783 3.170 20 0 GGADHL CCCCc1ccc([N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)cc1 ZINC000147674589 1417750795 /nfs/dbraw/zinc/75/07/95/1417750795.db2.gz VWZUAOMOIIJHCK-UHFFFAOYSA-N -2 3 391.445 3.299 20 0 GGADHL Cc1cc(=O)[n-]c(CN[C@H](C)c2ccc(-c3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826271809 1423708365 /nfs/dbraw/zinc/70/83/65/1423708365.db2.gz IPXBQSQEXWQNHL-CQSZACIVSA-N -2 3 387.447 3.189 20 0 GGADHL COc1cc(F)cc2sc([N-]C(=O)CCc3ccc(-c4nnn[n-]4)cc3)nc21 ZINC000737052924 1424298680 /nfs/dbraw/zinc/29/86/80/1424298680.db2.gz DIAGLOLDMAYQIW-UHFFFAOYSA-N -2 3 398.423 3.195 20 0 GGADHL COc1cc(F)cc2sc([N-]C(=O)CCc3ccc(-c4nn[n-]n4)cc3)nc21 ZINC000737052924 1424298685 /nfs/dbraw/zinc/29/86/85/1424298685.db2.gz DIAGLOLDMAYQIW-UHFFFAOYSA-N -2 3 398.423 3.195 20 0 GGADHL COc1ccc2nc([N-]C(=O)CSc3cccc(-c4nnn[n-]4)c3)sc2c1 ZINC000821854166 1424371667 /nfs/dbraw/zinc/37/16/67/1424371667.db2.gz GZOXXCSTADQJRF-UHFFFAOYSA-N -2 3 398.473 3.216 20 0 GGADHL COc1ccc2nc([N-]C(=O)CSc3cccc(-c4nn[n-]n4)c3)sc2c1 ZINC000821854166 1424371674 /nfs/dbraw/zinc/37/16/74/1424371674.db2.gz GZOXXCSTADQJRF-UHFFFAOYSA-N -2 3 398.473 3.216 20 0 GGADHL C[C@H]1CCC[C@H]1NC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736260456 1429745987 /nfs/dbraw/zinc/74/59/87/1429745987.db2.gz HQAJLSFAMLBEEL-XHDPSFHLSA-N -2 3 383.481 3.224 20 0 GGADHL C[C@H]1CCC[C@H]1NC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736260456 1429745992 /nfs/dbraw/zinc/74/59/92/1429745992.db2.gz HQAJLSFAMLBEEL-XHDPSFHLSA-N -2 3 383.481 3.224 20 0 GGADHL Cc1nc(-c2ccccc2)sc1[N-]C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826323229 1424982480 /nfs/dbraw/zinc/98/24/80/1424982480.db2.gz VTZCMCVZAXBETL-UHFFFAOYSA-N -2 3 392.444 3.316 20 0 GGADHL Cc1nc(-c2ccccc2)sc1[N-]C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826323229 1424982484 /nfs/dbraw/zinc/98/24/84/1424982484.db2.gz VTZCMCVZAXBETL-UHFFFAOYSA-N -2 3 392.444 3.316 20 0 GGADHL O=C(CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[N-]c1nccs1 ZINC000826420389 1424987627 /nfs/dbraw/zinc/98/76/27/1424987627.db2.gz KSGZWYOPFMWTPS-UHFFFAOYSA-N -2 3 386.384 3.073 20 0 GGADHL O=C(CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[N-]c1nccs1 ZINC000826420389 1424987639 /nfs/dbraw/zinc/98/76/39/1424987639.db2.gz KSGZWYOPFMWTPS-UHFFFAOYSA-N -2 3 386.384 3.073 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C(C1CC1)C1CC1 ZINC000826460154 1425096486 /nfs/dbraw/zinc/09/64/86/1425096486.db2.gz PBZGCSQAOOCPJL-UHFFFAOYSA-N -2 3 380.477 3.289 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C(C1CC1)C1CC1 ZINC000826460154 1425096494 /nfs/dbraw/zinc/09/64/94/1425096494.db2.gz PBZGCSQAOOCPJL-UHFFFAOYSA-N -2 3 380.477 3.289 20 0 GGADHL O=C([N-]c1nc(Sc2ccccc2)ns1)c1cccc(-c2nn[n-]n2)c1 ZINC000738213519 1425105105 /nfs/dbraw/zinc/10/51/05/1425105105.db2.gz XIOQAMRXVGLMMQ-UHFFFAOYSA-N -2 3 381.446 3.122 20 0 GGADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)nc2)n1 ZINC000821469626 1425240859 /nfs/dbraw/zinc/24/08/59/1425240859.db2.gz HNJAXUQOVGFENE-LBPRGKRZSA-N -2 3 388.435 3.160 20 0 GGADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)nc2)n1 ZINC000821469626 1425240865 /nfs/dbraw/zinc/24/08/65/1425240865.db2.gz HNJAXUQOVGFENE-LBPRGKRZSA-N -2 3 388.435 3.160 20 0 GGADHL O=C([N-]c1nc2c(s1)CCC2)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826460345 1425263844 /nfs/dbraw/zinc/26/38/44/1425263844.db2.gz YSOIOJNFSWWBNZ-UHFFFAOYSA-N -2 3 393.476 3.133 20 0 GGADHL O=C([N-]c1nc2c(s1)CCC2)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826460345 1425263850 /nfs/dbraw/zinc/26/38/50/1425263850.db2.gz YSOIOJNFSWWBNZ-UHFFFAOYSA-N -2 3 393.476 3.133 20 0 GGADHL CCCc1cnc([N-]C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)s1 ZINC000825348020 1425436155 /nfs/dbraw/zinc/43/61/55/1425436155.db2.gz AORAYCCMOYWVOG-UHFFFAOYSA-N -2 3 386.481 3.464 20 0 GGADHL CCCc1cnc([N-]C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)s1 ZINC000825348020 1425436160 /nfs/dbraw/zinc/43/61/60/1425436160.db2.gz AORAYCCMOYWVOG-UHFFFAOYSA-N -2 3 386.481 3.464 20 0 GGADHL O=S(=O)([N-]c1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1ccccc1 ZINC000738340987 1425486034 /nfs/dbraw/zinc/48/60/34/1425486034.db2.gz AYAQEFYXPQSLNN-UHFFFAOYSA-N -2 3 393.428 3.460 20 0 GGADHL O=S(=O)([N-]c1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1ccccc1 ZINC000738340987 1425486039 /nfs/dbraw/zinc/48/60/39/1425486039.db2.gz AYAQEFYXPQSLNN-UHFFFAOYSA-N -2 3 393.428 3.460 20 0 GGADHL Cc1nc(-c2ccccc2)sc1[N-]C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826323028 1425972467 /nfs/dbraw/zinc/97/24/67/1425972467.db2.gz MSHBBZDMDPUCJZ-UHFFFAOYSA-N -2 3 392.444 3.316 20 0 GGADHL Cc1nc(-c2ccccc2)sc1[N-]C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826323028 1425972470 /nfs/dbraw/zinc/97/24/70/1425972470.db2.gz MSHBBZDMDPUCJZ-UHFFFAOYSA-N -2 3 392.444 3.316 20 0 GGADHL O=C([N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)[C@@H]1COc2ccccc21 ZINC000738210130 1426015514 /nfs/dbraw/zinc/01/55/14/1426015514.db2.gz LCYUYUDBJJHWGE-CQSZACIVSA-N -2 3 390.428 3.105 20 0 GGADHL O=C([N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)[C@@H]1COc2ccccc21 ZINC000738210130 1426015519 /nfs/dbraw/zinc/01/55/19/1426015519.db2.gz LCYUYUDBJJHWGE-CQSZACIVSA-N -2 3 390.428 3.105 20 0 GGADHL CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1CCC1 ZINC000172702651 1426150743 /nfs/dbraw/zinc/15/07/43/1426150743.db2.gz HMNNYFATRYWETF-UHFFFAOYSA-N -2 3 394.880 3.471 20 0 GGADHL C[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824470605 1426302117 /nfs/dbraw/zinc/30/21/17/1426302117.db2.gz JYLMQKUXSUMVMO-VIFPVBQESA-N -2 3 379.317 3.114 20 0 GGADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000824753442 1426493520 /nfs/dbraw/zinc/49/35/20/1426493520.db2.gz DAZSBTLAUMBFDU-GFCCVEGCSA-N -2 3 392.444 3.396 20 0 GGADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000824753442 1426493522 /nfs/dbraw/zinc/49/35/22/1426493522.db2.gz DAZSBTLAUMBFDU-GFCCVEGCSA-N -2 3 392.444 3.396 20 0 GGADHL C[C@H]1CCN(C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C[C@H]1C ZINC000824947051 1426854922 /nfs/dbraw/zinc/85/49/22/1426854922.db2.gz MCVAINIUVCRPGS-QWHCGFSZSA-N -2 3 397.508 3.424 20 0 GGADHL C[C@H]1CCN(C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)C[C@H]1C ZINC000824947051 1426854937 /nfs/dbraw/zinc/85/49/37/1426854937.db2.gz MCVAINIUVCRPGS-QWHCGFSZSA-N -2 3 397.508 3.424 20 0 GGADHL O=C(CCCOc1cccc(Cl)c1Cl)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000822959175 1427184710 /nfs/dbraw/zinc/18/47/10/1427184710.db2.gz USCATXFZSARPTN-UHFFFAOYSA-N -2 3 399.263 3.428 20 0 GGADHL O=C(CCCOc1cccc(Cl)c1Cl)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822959175 1427184713 /nfs/dbraw/zinc/18/47/13/1427184713.db2.gz USCATXFZSARPTN-UHFFFAOYSA-N -2 3 399.263 3.428 20 0 GGADHL C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000175424096 1427747117 /nfs/dbraw/zinc/74/71/17/1427747117.db2.gz AMZPWZGZIYBMAR-LBPRGKRZSA-N -2 3 394.880 3.471 20 0 GGADHL C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000175424075 1427747168 /nfs/dbraw/zinc/74/71/68/1427747168.db2.gz AMZPWZGZIYBMAR-GFCCVEGCSA-N -2 3 394.880 3.471 20 0 GGADHL O=C([N-]OCc1ccc(C(F)(F)F)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826449647 1427822159 /nfs/dbraw/zinc/82/21/59/1427822159.db2.gz CPEVUJSGLULDSG-UHFFFAOYSA-N -2 3 399.279 3.025 20 0 GGADHL O=C(Cc1coc2ccc3ccccc3c12)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000823118487 1427937633 /nfs/dbraw/zinc/93/76/33/1427937633.db2.gz ASFLWCHZXJSHJA-UHFFFAOYSA-N -2 3 376.401 3.404 20 0 GGADHL O=C(Cc1coc2ccc3ccccc3c12)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000823118487 1427937635 /nfs/dbraw/zinc/93/76/35/1427937635.db2.gz ASFLWCHZXJSHJA-UHFFFAOYSA-N -2 3 376.401 3.404 20 0 GGADHL O=C([N-]c1nc2c(s1)CCCC2)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738207310 1428035776 /nfs/dbraw/zinc/03/57/76/1428035776.db2.gz AIPAQINHODNXFU-UHFFFAOYSA-N -2 3 395.492 3.399 20 0 GGADHL O=C([N-]c1nc2c(s1)CCCC2)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738207310 1428035784 /nfs/dbraw/zinc/03/57/84/1428035784.db2.gz AIPAQINHODNXFU-UHFFFAOYSA-N -2 3 395.492 3.399 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)NCC1(C2CC2)CC1 ZINC000826433406 1428160236 /nfs/dbraw/zinc/16/02/36/1428160236.db2.gz FJGYVLZMNOBABS-UHFFFAOYSA-N -2 3 395.492 3.226 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)NCC1(C2CC2)CC1 ZINC000826433406 1428160243 /nfs/dbraw/zinc/16/02/43/1428160243.db2.gz FJGYVLZMNOBABS-UHFFFAOYSA-N -2 3 395.492 3.226 20 0 GGADHL CC[C@H]1C[C@H](C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCO1 ZINC000825182707 1429827358 /nfs/dbraw/zinc/82/73/58/1429827358.db2.gz LUHCUIAOXLATOG-CABCVRRESA-N -2 3 398.492 3.058 20 0 GGADHL CC[C@H]1C[C@H](C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCO1 ZINC000825182707 1429827368 /nfs/dbraw/zinc/82/73/68/1429827368.db2.gz LUHCUIAOXLATOG-CABCVRRESA-N -2 3 398.492 3.058 20 0 GGADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cccc(C)c3F)c2)n1 ZINC000180483035 1429880125 /nfs/dbraw/zinc/88/01/25/1429880125.db2.gz JSXNGXZFHPYHNO-UHFFFAOYSA-N -2 3 387.436 3.248 20 0 GGADHL CC1(CNC(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CCC1 ZINC000820618637 1430009836 /nfs/dbraw/zinc/00/98/36/1430009836.db2.gz KJXXJXXUTUTXPB-UHFFFAOYSA-N -2 3 383.481 3.226 20 0 GGADHL CC1(CNC(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CCC1 ZINC000820618637 1430009839 /nfs/dbraw/zinc/00/98/39/1430009839.db2.gz KJXXJXXUTUTXPB-UHFFFAOYSA-N -2 3 383.481 3.226 20 0 GGADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(Cl)cc1[O-] ZINC000826420399 1430236658 /nfs/dbraw/zinc/23/66/58/1430236658.db2.gz LCECNINEROAECS-UHFFFAOYSA-N -2 3 375.841 3.098 20 0 GGADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(Cl)cc1[O-] ZINC000826420399 1430236663 /nfs/dbraw/zinc/23/66/63/1430236663.db2.gz LCECNINEROAECS-UHFFFAOYSA-N -2 3 375.841 3.098 20 0 GGADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1nc(C(C)(C)C)cs1 ZINC000185010967 1431041480 /nfs/dbraw/zinc/04/14/80/1431041480.db2.gz LVHNSAJEUBKVPO-SECBINFHSA-N -2 3 386.470 3.317 20 0 GGADHL CCOc1cc(C(=O)N[N-]C(=O)c2ccc(Cl)cc2F)cc(Cl)c1[O-] ZINC000186847863 1431538092 /nfs/dbraw/zinc/53/80/92/1431538092.db2.gz SNEHKKYKOZMGEL-UHFFFAOYSA-N -2 3 387.194 3.312 20 0 GGADHL O=C([N-]N=c1[n-]c(-c2ccc(Cl)cc2)no1)c1ncccc1Br ZINC000193247480 1432967046 /nfs/dbraw/zinc/96/70/46/1432967046.db2.gz USBGMMYOYDKIDK-UHFFFAOYSA-N -2 3 394.616 3.304 20 0 GGADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cc(Br)cnc1Cl ZINC000193337706 1432981812 /nfs/dbraw/zinc/98/18/12/1432981812.db2.gz SFUKHXYNMCOUDF-UHFFFAOYSA-N -2 3 381.610 3.143 20 0 GGADHL CCc1nc(C(=O)[N-]N=c2cnc3ccccc3[n-]2)nn1-c1ccccc1Cl ZINC000193474203 1433005259 /nfs/dbraw/zinc/00/52/59/1433005259.db2.gz WPMZOXQLCAJYQI-UHFFFAOYSA-N -2 3 393.838 3.183 20 0 GGADHL Cc1nn(-c2ccc(F)cc2)c(C)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000195503567 1433337418 /nfs/dbraw/zinc/33/74/18/1433337418.db2.gz PNFFOMOZTIFJLQ-CSKARUKUSA-N -2 3 396.422 3.208 20 0 GGADHL Cc1nc(C=Cc2ccccc2OCc2ccccn2)[n-]c(=O)c1CCC(=O)[O-] ZINC000195503344 1433337479 /nfs/dbraw/zinc/33/74/79/1433337479.db2.gz RFXHZDKZEQDSTD-PKNBQFBNSA-N -2 3 391.427 3.240 20 0 GGADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)(C)C(=O)[O-])cc2)cc1 ZINC000265228264 1434203387 /nfs/dbraw/zinc/20/33/87/1434203387.db2.gz PZLNEGSIIVSMRW-UHFFFAOYSA-N -2 3 390.461 3.235 20 0 GGADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)ccc1[O-] ZINC000274835881 1435096727 /nfs/dbraw/zinc/09/67/27/1435096727.db2.gz VFXYBLYEOJLHHG-UHFFFAOYSA-N -2 3 378.450 3.155 20 0 GGADHL Cc1nc(C=Cc2cc3c(cc2OC(F)F)OCO3)[n-]c(=O)c1CCC(=O)[O-] ZINC000282251022 1435840237 /nfs/dbraw/zinc/84/02/37/1435840237.db2.gz TYEQQNAQPMQVGX-DUXPYHPUSA-N -2 3 394.330 3.008 20 0 GGADHL O=C(Cc1cccc(-c2nnn[n-]2)c1)[N-]c1ncc(Cc2ccc(F)cc2)s1 ZINC000823108991 1441525273 /nfs/dbraw/zinc/52/52/73/1441525273.db2.gz UULRLXQNCUPBMH-UHFFFAOYSA-N -2 3 394.435 3.234 20 0 GGADHL O=C(Cc1cccc(-c2nn[n-]n2)c1)[N-]c1ncc(Cc2ccc(F)cc2)s1 ZINC000823108991 1441525276 /nfs/dbraw/zinc/52/52/76/1441525276.db2.gz UULRLXQNCUPBMH-UHFFFAOYSA-N -2 3 394.435 3.234 20 0 GGADHL Cc1ncc(C=CC(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)s1 ZINC000826329615 1441660503 /nfs/dbraw/zinc/66/05/03/1441660503.db2.gz LCLQRNSWLLGJFW-AATRIKPKSA-N -2 3 395.473 3.407 20 0 GGADHL Cc1ncc(C=CC(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)s1 ZINC000826329615 1441660505 /nfs/dbraw/zinc/66/05/05/1441660505.db2.gz LCLQRNSWLLGJFW-AATRIKPKSA-N -2 3 395.473 3.407 20 0 GGADHL O=C(Nc1cccc([O-])c1F)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826457354 1442003766 /nfs/dbraw/zinc/00/37/66/1442003766.db2.gz XWMREZFPAQFKPD-UHFFFAOYSA-N -2 3 395.350 3.136 20 0 GGADHL O=C(Nc1cccc([O-])c1F)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826457354 1442003767 /nfs/dbraw/zinc/00/37/67/1442003767.db2.gz XWMREZFPAQFKPD-UHFFFAOYSA-N -2 3 395.350 3.136 20 0 GGADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000737933097 1442099456 /nfs/dbraw/zinc/09/94/56/1442099456.db2.gz SZRWCOYTJYLIPI-UHFFFAOYSA-N -2 3 375.841 3.098 20 0 GGADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000737933097 1442099457 /nfs/dbraw/zinc/09/94/57/1442099457.db2.gz SZRWCOYTJYLIPI-UHFFFAOYSA-N -2 3 375.841 3.098 20 0 GGADHL O=C(CC[C@@H]1CCCCO1)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737823724 1442168627 /nfs/dbraw/zinc/16/86/27/1442168627.db2.gz ACUBQDFIUJSINA-AWEZNQCLSA-N -2 3 384.465 3.278 20 0 GGADHL O=C(CC[C@@H]1CCCCO1)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737823724 1442168631 /nfs/dbraw/zinc/16/86/31/1442168631.db2.gz ACUBQDFIUJSINA-AWEZNQCLSA-N -2 3 384.465 3.278 20 0 GGADHL O=C(C=C1CCSCC1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826400313 1442205802 /nfs/dbraw/zinc/20/58/02/1442205802.db2.gz VLHUZLBAWBVPAS-UHFFFAOYSA-N -2 3 384.490 3.382 20 0 GGADHL O=C(C=C1CCSCC1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826400313 1442205808 /nfs/dbraw/zinc/20/58/08/1442205808.db2.gz VLHUZLBAWBVPAS-UHFFFAOYSA-N -2 3 384.490 3.382 20 0 GGADHL CC[C@@H]1C[C@@H](C(=O)[N-]c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCO1 ZINC000825182505 1442364139 /nfs/dbraw/zinc/36/41/39/1442364139.db2.gz KKRCIZHRJKKNHB-UONOGXRCSA-N -2 3 384.465 3.134 20 0 GGADHL CC[C@@H]1C[C@@H](C(=O)[N-]c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCO1 ZINC000825182505 1442364144 /nfs/dbraw/zinc/36/41/44/1442364144.db2.gz KKRCIZHRJKKNHB-UONOGXRCSA-N -2 3 384.465 3.134 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1Cl ZINC000826299342 1442492012 /nfs/dbraw/zinc/49/20/12/1442492012.db2.gz AFTCMOKAPVPUML-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1Cl ZINC000826299342 1442492015 /nfs/dbraw/zinc/49/20/15/1442492015.db2.gz AFTCMOKAPVPUML-UHFFFAOYSA-N -2 3 384.248 3.283 20 0 GGADHL O=C([N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@@H]1CC1(Cl)Cl ZINC000826459375 1443217574 /nfs/dbraw/zinc/21/75/74/1443217574.db2.gz HKEWMIYPAPIZFH-VIFPVBQESA-N -2 3 381.248 3.123 20 0 GGADHL O=C([N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@@H]1CC1(Cl)Cl ZINC000826459375 1443217576 /nfs/dbraw/zinc/21/75/76/1443217576.db2.gz HKEWMIYPAPIZFH-VIFPVBQESA-N -2 3 381.248 3.123 20 0 GGADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]c1cnc(-c2ccccc2)s1 ZINC000826418500 1443227136 /nfs/dbraw/zinc/22/71/36/1443227136.db2.gz JWFOIOZWHWSETJ-UHFFFAOYSA-N -2 3 378.417 3.008 20 0 GGADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]c1cnc(-c2ccccc2)s1 ZINC000826418500 1443227141 /nfs/dbraw/zinc/22/71/41/1443227141.db2.gz JWFOIOZWHWSETJ-UHFFFAOYSA-N -2 3 378.417 3.008 20 0 GGADHL O=C(CSc1cccc(-c2nnn[n-]2)c1)[N-]c1nc(-c2ccco2)cs1 ZINC000823071045 1443343800 /nfs/dbraw/zinc/34/38/00/1443343800.db2.gz YUIRVHAFMUSYLV-UHFFFAOYSA-N -2 3 384.446 3.314 20 0 GGADHL O=C(CSc1cccc(-c2nn[n-]n2)c1)[N-]c1nc(-c2ccco2)cs1 ZINC000823071045 1443343807 /nfs/dbraw/zinc/34/38/07/1443343807.db2.gz YUIRVHAFMUSYLV-UHFFFAOYSA-N -2 3 384.446 3.314 20 0 GGADHL O=C([N-]c1cc(-c2ccccc2)ns1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823246646 1443387405 /nfs/dbraw/zinc/38/74/05/1443387405.db2.gz YRPMAHDZUMMPTR-UHFFFAOYSA-N -2 3 377.433 3.312 20 0 GGADHL O=C([N-]c1cc(-c2ccccc2)ns1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823246646 1443387406 /nfs/dbraw/zinc/38/74/06/1443387406.db2.gz YRPMAHDZUMMPTR-UHFFFAOYSA-N -2 3 377.433 3.312 20 0 GGADHL O=C(NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1)c1ccccc1[O-] ZINC000738112881 1443466536 /nfs/dbraw/zinc/46/65/36/1443466536.db2.gz TYYRLRKLCOTVKB-UHFFFAOYSA-N -2 3 377.429 3.231 20 0 GGADHL O=C(NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)c1ccccc1[O-] ZINC000738112881 1443466539 /nfs/dbraw/zinc/46/65/39/1443466539.db2.gz TYYRLRKLCOTVKB-UHFFFAOYSA-N -2 3 377.429 3.231 20 0 GGADHL O=C([N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)[C@@H]1COc2ccccc21 ZINC000826459227 1443854247 /nfs/dbraw/zinc/85/42/47/1443854247.db2.gz AKAPCJINDJJYMB-CQSZACIVSA-N -2 3 390.428 3.105 20 0 GGADHL O=C([N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[C@@H]1COc2ccccc21 ZINC000826459227 1443854249 /nfs/dbraw/zinc/85/42/49/1443854249.db2.gz AKAPCJINDJJYMB-CQSZACIVSA-N -2 3 390.428 3.105 20 0 GGADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000826251133 1443923296 /nfs/dbraw/zinc/92/32/96/1443923296.db2.gz GFYBMOBPBQIDRQ-UHFFFAOYSA-N -2 3 395.423 3.009 20 0 GGADHL CCC[C@@H]1C[C@H]1NC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821034410 1443934828 /nfs/dbraw/zinc/93/48/28/1443934828.db2.gz LXOZPDHTILZNNU-UKRRQHHQSA-N -2 3 383.481 3.224 20 0 GGADHL CCC[C@@H]1C[C@H]1NC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821034410 1443934831 /nfs/dbraw/zinc/93/48/31/1443934831.db2.gz LXOZPDHTILZNNU-UKRRQHHQSA-N -2 3 383.481 3.224 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1Cl ZINC000736647816 1443985408 /nfs/dbraw/zinc/98/54/08/1443985408.db2.gz UJJPBGVICVOYMM-UHFFFAOYSA-N -2 3 393.856 3.028 20 0 GGADHL CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1Cl ZINC000736647816 1443985411 /nfs/dbraw/zinc/98/54/11/1443985411.db2.gz UJJPBGVICVOYMM-UHFFFAOYSA-N -2 3 393.856 3.028 20 0 GGADHL CCC[C@H]1C[C@@H]1NC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821034411 1443996124 /nfs/dbraw/zinc/99/61/24/1443996124.db2.gz LXOZPDHTILZNNU-ZFWWWQNUSA-N -2 3 383.481 3.224 20 0 GGADHL CCC[C@H]1C[C@@H]1NC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821034411 1443996126 /nfs/dbraw/zinc/99/61/26/1443996126.db2.gz LXOZPDHTILZNNU-ZFWWWQNUSA-N -2 3 383.481 3.224 20 0 GGADHL O=C([N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)[C@H]1COc2ccccc21 ZINC000738210122 1446092425 /nfs/dbraw/zinc/09/24/25/1446092425.db2.gz LCYUYUDBJJHWGE-AWEZNQCLSA-N -2 3 390.428 3.105 20 0 GGADHL O=C([N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)[C@H]1COc2ccccc21 ZINC000738210122 1446092430 /nfs/dbraw/zinc/09/24/30/1446092430.db2.gz LCYUYUDBJJHWGE-AWEZNQCLSA-N -2 3 390.428 3.105 20 0 GGADHL O=C(Cc1ccc(F)cc1F)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826422849 1446191890 /nfs/dbraw/zinc/19/18/90/1446191890.db2.gz OPZYYLZICPNBBU-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL O=C(Cc1ccc(F)cc1F)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826422849 1446191894 /nfs/dbraw/zinc/19/18/94/1446191894.db2.gz OPZYYLZICPNBBU-UHFFFAOYSA-N -2 3 398.398 3.450 20 0 GGADHL [O-]c1ccc(CNc2snc(Cl)c2-c2nn[n-]n2)cc1Br ZINC000823731645 1446213877 /nfs/dbraw/zinc/21/38/77/1446213877.db2.gz AEYZMEKZUFTXMW-UHFFFAOYSA-N -2 3 387.650 3.057 20 0 GGADHL [O-]c1ccc(CNc2snc(Cl)c2-c2nnn[n-]2)cc1Br ZINC000823731645 1446213880 /nfs/dbraw/zinc/21/38/80/1446213880.db2.gz AEYZMEKZUFTXMW-UHFFFAOYSA-N -2 3 387.650 3.057 20 0 GGADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1Cl)c1cc(F)ccc1Cl ZINC000823583686 1446295564 /nfs/dbraw/zinc/29/55/64/1446295564.db2.gz YAKGRFBFQUNNHS-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL O=S(=O)([N-]c1cc(-c2nnn[n-]2)ccc1Cl)c1cc(F)ccc1Cl ZINC000823583686 1446295572 /nfs/dbraw/zinc/29/55/72/1446295572.db2.gz YAKGRFBFQUNNHS-UHFFFAOYSA-N -2 3 388.211 3.113 20 0 GGADHL CC[C@@H]1C[C@H](C(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCO1 ZINC000825183467 1446337416 /nfs/dbraw/zinc/33/74/16/1446337416.db2.gz OZQOHVMXRHCUPJ-ZIAGYGMSSA-N -2 3 384.465 3.134 20 0 GGADHL CC[C@@H]1C[C@H](C(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCO1 ZINC000825183467 1446337422 /nfs/dbraw/zinc/33/74/22/1446337422.db2.gz OZQOHVMXRHCUPJ-ZIAGYGMSSA-N -2 3 384.465 3.134 20 0 GGADHL O=C(CCc1ccoc1)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822983865 1446504221 /nfs/dbraw/zinc/50/42/21/1446504221.db2.gz VHUKUXGQQNRWLR-UHFFFAOYSA-N -2 3 380.433 3.078 20 0 GGADHL O=C(CCc1ccoc1)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822983865 1446504222 /nfs/dbraw/zinc/50/42/22/1446504222.db2.gz VHUKUXGQQNRWLR-UHFFFAOYSA-N -2 3 380.433 3.078 20 0 GGADHL C[C@H](C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1cccnc1 ZINC000819877690 1446567418 /nfs/dbraw/zinc/56/74/18/1446567418.db2.gz ZXUMOSHTZWEWSZ-LBPRGKRZSA-N -2 3 391.460 3.051 20 0 GGADHL C[C@H](C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1cccnc1 ZINC000819877690 1446567424 /nfs/dbraw/zinc/56/74/24/1446567424.db2.gz ZXUMOSHTZWEWSZ-LBPRGKRZSA-N -2 3 391.460 3.051 20 0 GGADHL O=C(Nc1cccc([O-])c1F)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826456914 1446863683 /nfs/dbraw/zinc/86/36/83/1446863683.db2.gz DQGQIZIWRLNVJZ-UHFFFAOYSA-N -2 3 395.350 3.136 20 0 GGADHL O=C(Nc1cccc([O-])c1F)c1ccc(COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826456914 1446863686 /nfs/dbraw/zinc/86/36/86/1446863686.db2.gz DQGQIZIWRLNVJZ-UHFFFAOYSA-N -2 3 395.350 3.136 20 0 GGADHL CCC1(CNC(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CC1 ZINC000820962329 1446975326 /nfs/dbraw/zinc/97/53/26/1446975326.db2.gz ONNIEDFRHUAYGF-UHFFFAOYSA-N -2 3 383.481 3.226 20 0 GGADHL CCC1(CNC(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CC1 ZINC000820962329 1446975329 /nfs/dbraw/zinc/97/53/29/1446975329.db2.gz ONNIEDFRHUAYGF-UHFFFAOYSA-N -2 3 383.481 3.226 20 0 GGADHL O=C(CCOc1ccccc1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826408301 1447036792 /nfs/dbraw/zinc/03/67/92/1447036792.db2.gz ZZUHXTOSFCOVRM-UHFFFAOYSA-N -2 3 392.444 3.398 20 0 GGADHL O=C(CCOc1ccccc1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826408301 1447036800 /nfs/dbraw/zinc/03/68/00/1447036800.db2.gz ZZUHXTOSFCOVRM-UHFFFAOYSA-N -2 3 392.444 3.398 20 0 GGADHL C[C@@H]1CCC[C@@H]1NC(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736260448 1447198173 /nfs/dbraw/zinc/19/81/73/1447198173.db2.gz HQAJLSFAMLBEEL-ABAIWWIYSA-N -2 3 383.481 3.224 20 0 GGADHL C[C@@H]1CCC[C@@H]1NC(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736260448 1447198176 /nfs/dbraw/zinc/19/81/76/1447198176.db2.gz HQAJLSFAMLBEEL-ABAIWWIYSA-N -2 3 383.481 3.224 20 0 GGADHL O=C(CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)[N-]c1nccs1 ZINC000737953275 1447250330 /nfs/dbraw/zinc/25/03/30/1447250330.db2.gz KANDRKZHMWVKCX-UHFFFAOYSA-N -2 3 395.473 3.116 20 0 GGADHL O=C(CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)[N-]c1nccs1 ZINC000737953275 1447250335 /nfs/dbraw/zinc/25/03/35/1447250335.db2.gz KANDRKZHMWVKCX-UHFFFAOYSA-N -2 3 395.473 3.116 20 0 GGADHL CC(C)(C)c1csc([N-]C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000824135935 1447340190 /nfs/dbraw/zinc/34/01/90/1447340190.db2.gz KLYFBWKNXWUMON-UHFFFAOYSA-N -2 3 383.481 3.432 20 0 GGADHL CC(C)(C)c1csc([N-]C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000824135935 1447340194 /nfs/dbraw/zinc/34/01/94/1447340194.db2.gz KLYFBWKNXWUMON-UHFFFAOYSA-N -2 3 383.481 3.432 20 0 GGADHL O=C(CSc1ccc(-c2nnn[n-]2)cc1)[N-]c1nc(-c2cccnc2)cs1 ZINC000737949620 1449268588 /nfs/dbraw/zinc/26/85/88/1449268588.db2.gz ZJHNIZKCLSFWEP-UHFFFAOYSA-N -2 3 395.473 3.116 20 0 GGADHL O=C(CSc1ccc(-c2nn[n-]n2)cc1)[N-]c1nc(-c2cccnc2)cs1 ZINC000737949620 1449268592 /nfs/dbraw/zinc/26/85/92/1449268592.db2.gz ZJHNIZKCLSFWEP-UHFFFAOYSA-N -2 3 395.473 3.116 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)N1CCC[C@H]1C1CC1 ZINC000738208902 1449392578 /nfs/dbraw/zinc/39/25/78/1449392578.db2.gz OXKLFFYXBYHTBR-INIZCTEOSA-N -2 3 395.492 3.320 20 0 GGADHL O=C([N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)N1CCC[C@H]1C1CC1 ZINC000738208902 1449392581 /nfs/dbraw/zinc/39/25/81/1449392581.db2.gz OXKLFFYXBYHTBR-INIZCTEOSA-N -2 3 395.492 3.320 20 0 GGADHL O=C([N-]c1nnc(Cc2cccc(Cl)c2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000823383714 1449513701 /nfs/dbraw/zinc/51/37/01/1449513701.db2.gz YFFUOWHOGRAQKO-UHFFFAOYSA-N -2 3 397.851 3.215 20 0 GGADHL CC(C)(C)c1csc([N-]C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735657188 1449523275 /nfs/dbraw/zinc/52/32/75/1449523275.db2.gz QHDGBTXDHXXCNM-CQSZACIVSA-N -2 3 397.508 3.228 20 0 GGADHL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000822230792 1449774646 /nfs/dbraw/zinc/77/46/46/1449774646.db2.gz QKLGRGVGBBGWKW-UHFFFAOYSA-N -2 3 397.382 3.303 20 0 GGADHL CC(C)[C@@H]1CCN1C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824224704 1450372300 /nfs/dbraw/zinc/37/23/00/1450372300.db2.gz QBGGJZOGAOVVES-HNNXBMFYSA-N -2 3 383.481 3.176 20 0 GGADHL CC(C)[C@@H]1CCN1C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824224704 1450372305 /nfs/dbraw/zinc/37/23/05/1450372305.db2.gz QBGGJZOGAOVVES-HNNXBMFYSA-N -2 3 383.481 3.176 20 0 GGADHL