smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Br)ccc1C#N ZINC000323004888 970956622 /nfs/dbraw/zinc/95/66/22/970956622.db2.gz MAMKTVFOGDDGFP-UHFFFAOYSA-N -2 0 395.234 3.128 20 0 GGADRL O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc(Br)cc(F)c2[O-])c2ccccc21 ZINC001601573022 971022660 /nfs/dbraw/zinc/02/26/60/971022660.db2.gz CZUCJXIIHPOIOG-RISCZKNCSA-N -2 0 394.196 3.337 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(Br)ccc2C#N)ccc1C(=O)[O-] ZINC000323761143 971035908 /nfs/dbraw/zinc/03/59/08/971035908.db2.gz VQURNMMFOSCUHP-UHFFFAOYSA-N -2 0 395.234 3.128 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000325427013 971214523 /nfs/dbraw/zinc/21/45/23/971214523.db2.gz YKZLKPXDWMJHPK-UHFFFAOYSA-N -2 0 380.731 3.253 20 0 GGADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)c(C(=O)[O-])c(F)c1 ZINC000325461695 971218301 /nfs/dbraw/zinc/21/83/01/971218301.db2.gz RICGVDIHHCSMDT-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000326634230 971311752 /nfs/dbraw/zinc/31/17/52/971311752.db2.gz TWLUFDBXJUYABY-UHFFFAOYSA-N -2 0 392.264 3.349 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000327181436 971375002 /nfs/dbraw/zinc/37/50/02/971375002.db2.gz YLGAYENGNRCNKZ-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL CCOC(=O)c1ccsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000327292466 971384255 /nfs/dbraw/zinc/38/42/55/971384255.db2.gz NIURSUDOAMOOOS-UHFFFAOYSA-N -2 0 383.447 3.041 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc(C)c1C#N ZINC000327585095 971409740 /nfs/dbraw/zinc/40/97/40/971409740.db2.gz DUBVOYGFGJASCU-UHFFFAOYSA-N -2 0 380.809 3.028 20 0 GGADRL CCOc1ccc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)sc2c1 ZINC000327622132 971412603 /nfs/dbraw/zinc/41/26/03/971412603.db2.gz OOGMTQWIQCNZJE-UHFFFAOYSA-N -2 0 382.419 3.095 20 0 GGADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000327792442 971425241 /nfs/dbraw/zinc/42/52/41/971425241.db2.gz GSBCDZLKGZXEPK-UHFFFAOYSA-N -2 0 375.427 3.431 20 0 GGADRL Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000328248456 971457035 /nfs/dbraw/zinc/45/70/35/971457035.db2.gz BNSSITHIYGSIMV-UHFFFAOYSA-N -2 0 384.797 3.364 20 0 GGADRL CC(C)c1c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1-c1ccccc1 ZINC000370682008 971553788 /nfs/dbraw/zinc/55/37/88/971553788.db2.gz PTASIXATSUGSKJ-UHFFFAOYSA-N -2 0 399.472 3.424 20 0 GGADRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])C1 ZINC001589605987 949266677 /nfs/dbraw/zinc/26/66/77/949266677.db2.gz YESZVXLTJVZSAI-OAQYLSRUSA-N -2 0 385.464 3.418 20 0 GGADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Cc1ccccc1C(=O)[O-] ZINC001589673543 949958583 /nfs/dbraw/zinc/95/85/83/949958583.db2.gz KQTNXVUMDSPMJK-UHFFFAOYSA-N -2 0 385.445 3.076 20 0 GGADRL CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC001602908548 971854926 /nfs/dbraw/zinc/85/49/26/971854926.db2.gz ZSWQXNHLNNMMDZ-JTQLQIEISA-N -2 0 383.788 3.136 20 0 GGADRL CC[C@@H](c1n[n-]c(=NC(=O)NCCC(C)(C)C(=O)[O-])s1)c1ccccc1 ZINC000424380491 953453320 /nfs/dbraw/zinc/45/33/20/953453320.db2.gz KVGPSLVCGXPSEP-CYBMUJFWSA-N -2 0 376.482 3.124 20 0 GGADRL O=C([O-])C[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)C1 ZINC000563610486 953599962 /nfs/dbraw/zinc/59/99/62/953599962.db2.gz KBBHDYNRKCIXCQ-SECBINFHSA-N -2 0 398.847 3.138 20 0 GGADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)n1 ZINC001593642054 953653177 /nfs/dbraw/zinc/65/31/77/953653177.db2.gz VIMDUWUBXCNHHM-GOSISDBHSA-N -2 0 379.416 3.004 20 0 GGADRL O=C([O-])[C@H]1CCCN(c2ccc(CNc3ccc(-n4ccc(=O)[nH]4)cc3)o2)C1 ZINC001594915482 954744467 /nfs/dbraw/zinc/74/44/67/954744467.db2.gz DEEYQHBRQUGZLQ-AWEZNQCLSA-N -2 0 382.420 3.084 20 0 GGADRL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc(Cl)ccc1Cl ZINC000852736347 955846217 /nfs/dbraw/zinc/84/62/17/955846217.db2.gz MBNMQKMMJQAYCG-NEPJUHHUSA-N -2 0 399.196 3.090 20 0 GGADRL COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC001593963390 956516426 /nfs/dbraw/zinc/51/64/26/956516426.db2.gz DNQCQBWNUVZKNU-HXUWFJFHSA-N -2 0 389.835 3.276 20 0 GGADRL C[C@@]1(C(=O)[O-])CCCN1Cc1cc(Br)c([O-])c(Br)c1 ZINC001589186821 956561281 /nfs/dbraw/zinc/56/12/81/956561281.db2.gz GPCUQIUCDWSIEM-ZDUSSCGKSA-N -2 0 393.075 3.356 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cc1F ZINC000013264958 957003090 /nfs/dbraw/zinc/00/30/90/957003090.db2.gz OWROCTNYJAFTAQ-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])C[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000909494308 957023301 /nfs/dbraw/zinc/02/33/01/957023301.db2.gz QTRXQCSVISSNHY-LLVKDONJSA-N -2 0 397.353 3.066 20 0 GGADRL CCc1ccccc1[N-]S(=O)(=O)c1cc(/C=C/C(=O)[O-])cc(OC)c1OC ZINC000013347501 957034442 /nfs/dbraw/zinc/03/44/42/957034442.db2.gz IHWSMFOXYSDGBD-MDZDMXLPSA-N -2 0 391.445 3.165 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)c1 ZINC000032098122 957173878 /nfs/dbraw/zinc/17/38/78/957173878.db2.gz KSASOAHVMJGCMI-UHFFFAOYSA-N -2 0 396.424 3.438 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)c1 ZINC000032597252 957177383 /nfs/dbraw/zinc/17/73/83/957177383.db2.gz JLVRIYPXPMWDOQ-UHFFFAOYSA-N -2 0 390.442 3.221 20 0 GGADRL CCOc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1OC ZINC000042795595 957428387 /nfs/dbraw/zinc/42/83/87/957428387.db2.gz NYNWAIKBKFFPOQ-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c1 ZINC000045774189 957453513 /nfs/dbraw/zinc/45/35/13/957453513.db2.gz MZANEJMMJPMWRU-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL COc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1F ZINC000055682687 957549768 /nfs/dbraw/zinc/54/97/68/957549768.db2.gz XGTJZVDSEWIFOM-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(OC[C@H]2CCCO2)c1 ZINC000057123866 957550151 /nfs/dbraw/zinc/55/01/51/957550151.db2.gz LGRVUDHWNBQTOH-OAHLLOKOSA-N -2 0 391.445 3.052 20 0 GGADRL COC(=O)c1sccc1S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000058556604 957558207 /nfs/dbraw/zinc/55/82/07/957558207.db2.gz OYYWZEQYKKXOQD-UHFFFAOYSA-N -2 0 391.426 3.187 20 0 GGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)CCCC(=O)[O-] ZINC001594310934 958017086 /nfs/dbraw/zinc/01/70/86/958017086.db2.gz UVAQYZPVWCCDSH-UHFFFAOYSA-N -2 0 394.424 3.128 20 0 GGADRL COc1ccc(-c2cc3[n-]c(CN4[C@H](C)CC[C@@H]4C(=O)[O-])nc(=O)c3s2)cc1 ZINC001594071183 958184736 /nfs/dbraw/zinc/18/47/36/958184736.db2.gz IWARAAVDOFWMCH-IAQYHMDHSA-N -2 0 399.472 3.098 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cc(Br)cnc32)o1 ZINC000391266760 972326566 /nfs/dbraw/zinc/32/65/66/972326566.db2.gz XELIVGQSHGEBHL-UHFFFAOYSA-N -2 0 397.206 3.089 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1 ZINC000098077595 958355215 /nfs/dbraw/zinc/35/52/15/958355215.db2.gz DWADXTRVKGIBNG-UHFFFAOYSA-N -2 0 378.425 3.315 20 0 GGADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000126439595 958591662 /nfs/dbraw/zinc/59/16/62/958591662.db2.gz XLXHAKVEKBMEOY-UHFFFAOYSA-N -2 0 394.355 3.427 20 0 GGADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000126538289 958597479 /nfs/dbraw/zinc/59/74/79/958597479.db2.gz BVXFJEVFBLUMRY-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000128300793 958654772 /nfs/dbraw/zinc/65/47/72/958654772.db2.gz ACLSXLADFQWLID-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc(Br)cc(F)c2[O-])c2ccccc21 ZINC001605742757 972384092 /nfs/dbraw/zinc/38/40/92/972384092.db2.gz CZUCJXIIHPOIOG-BXUZGUMPSA-N -2 0 394.196 3.337 20 0 GGADRL O=C([O-])[C@H]1C[C@@H](NC(=O)c2cccc(Br)c2[O-])c2ccccc21 ZINC001605743703 972390263 /nfs/dbraw/zinc/39/02/63/972390263.db2.gz NVSCYIITOMYMAL-GXTWGEPZSA-N -2 0 376.206 3.198 20 0 GGADRL C[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603242825 972394729 /nfs/dbraw/zinc/39/47/29/972394729.db2.gz LUJASBJFYPQVNB-LEWSCRJBSA-N -2 0 391.855 3.097 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)ccc1F ZINC000161423250 959185927 /nfs/dbraw/zinc/18/59/27/959185927.db2.gz YMIOEDMLCQDJHC-UHFFFAOYSA-N -2 0 385.241 3.020 20 0 GGADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161793721 959193501 /nfs/dbraw/zinc/19/35/01/959193501.db2.gz MQFMZPRPWOAADL-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000181670991 959440854 /nfs/dbraw/zinc/44/08/54/959440854.db2.gz FZIYQGKIEOSJRA-UHFFFAOYSA-N -2 0 381.278 3.190 20 0 GGADRL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000181786591 959441524 /nfs/dbraw/zinc/44/15/24/959441524.db2.gz VTBAGRMZYRYIAM-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)c1 ZINC000392243315 972431324 /nfs/dbraw/zinc/43/13/24/972431324.db2.gz ZWCAWQSZYDBACI-UHFFFAOYSA-N -2 0 391.188 3.401 20 0 GGADRL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186969490 959501528 /nfs/dbraw/zinc/50/15/28/959501528.db2.gz XHSASQCRURFQNL-UHFFFAOYSA-N -2 0 399.350 3.098 20 0 GGADRL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC000187724890 959507457 /nfs/dbraw/zinc/50/74/57/959507457.db2.gz ZLLYHWRHANNQGK-MRVPVSSYSA-N -2 0 387.820 3.146 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccn2)c1 ZINC000190840129 959525835 /nfs/dbraw/zinc/52/58/35/959525835.db2.gz DQKXIGKLYDWBMC-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C)ccc2C)c1OC ZINC000208026386 959667044 /nfs/dbraw/zinc/66/70/44/959667044.db2.gz KWKWBDZUZBYDHR-FPLPWBNLSA-N -2 0 391.445 3.219 20 0 GGADRL O=C([O-])c1sccc1S(=O)(=O)Nc1cc(Br)c(F)cc1F ZINC000228162176 959997628 /nfs/dbraw/zinc/99/76/28/959997628.db2.gz MUDPPWJYXDVQMK-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000392399626 972480095 /nfs/dbraw/zinc/48/00/95/972480095.db2.gz VRCVPSMXNFDHLL-UHFFFAOYSA-N -2 0 381.353 3.296 20 0 GGADRL CC(C)(C)CC[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(=O)[O-] ZINC001588653470 960403827 /nfs/dbraw/zinc/40/38/27/960403827.db2.gz ZOQDLYXDWCDSSL-ZDUSSCGKSA-N -2 0 379.844 3.241 20 0 GGADRL CC(C)(C)CC[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])C(=O)[O-] ZINC001588653468 960404279 /nfs/dbraw/zinc/40/42/79/960404279.db2.gz ZOQDLYXDWCDSSL-CYBMUJFWSA-N -2 0 379.844 3.241 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n(-c2cccc(C)c2)n1 ZINC001185877211 960530110 /nfs/dbraw/zinc/53/01/10/960530110.db2.gz DMIKNUOYXFHLGQ-UHFFFAOYSA-N -2 0 385.445 3.297 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)ccc1Cl ZINC001188272877 960552156 /nfs/dbraw/zinc/55/21/56/960552156.db2.gz WNUCFOKNNNKCJW-UHFFFAOYSA-N -2 0 380.731 3.253 20 0 GGADRL CC(=O)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198770262 960580796 /nfs/dbraw/zinc/58/07/96/960580796.db2.gz BXHGKGJCAZOTMQ-UHFFFAOYSA-N -2 0 398.234 3.151 20 0 GGADRL Cc1nn(C)c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3F)ccc12 ZINC001259219593 960679861 /nfs/dbraw/zinc/67/98/61/960679861.db2.gz BHXGCCUBYPDACD-UHFFFAOYSA-N -2 0 397.815 3.173 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c1 ZINC001260215309 960706610 /nfs/dbraw/zinc/70/66/10/960706610.db2.gz UMDKNDKSPYWSIO-UHFFFAOYSA-N -2 0 386.404 3.311 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2c(F)cccc2Br)ccc1C(=O)[O-] ZINC001319280379 960935836 /nfs/dbraw/zinc/93/58/36/960935836.db2.gz PBJDVYQSAVTWJQ-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)cccc2Br)cc1F ZINC001319467189 960948997 /nfs/dbraw/zinc/94/89/97/960948997.db2.gz DPXXDAKNENSLPV-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)cc1F ZINC001320127310 960973488 /nfs/dbraw/zinc/97/34/88/960973488.db2.gz VODZENMMSGDILD-UHFFFAOYSA-N -2 0 383.159 3.166 20 0 GGADRL O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])CO1 ZINC001574686896 962620122 /nfs/dbraw/zinc/62/01/22/962620122.db2.gz PXJQOOOZGZHTFN-VXNVDRBHSA-N -2 0 392.633 3.017 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)NCc3ccccc3C(=O)[O-])n2)cc1 ZINC001588962469 962625785 /nfs/dbraw/zinc/62/57/85/962625785.db2.gz FEPSNIDLICERBK-UHFFFAOYSA-N -2 0 379.416 3.330 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1C(=O)N(C)C(C)C ZINC000278540131 962854265 /nfs/dbraw/zinc/85/42/65/962854265.db2.gz MUPVVURGYKCUTJ-UHFFFAOYSA-N -2 0 396.490 3.036 20 0 GGADRL Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000314901544 963827229 /nfs/dbraw/zinc/82/72/29/963827229.db2.gz BTOMMLLWRSDGSR-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)Nc2cccc(F)c2F)c1 ZINC000314990678 963839419 /nfs/dbraw/zinc/83/94/19/963839419.db2.gz ZGIJUJLSYSNDGV-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])COc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000321322055 970761782 /nfs/dbraw/zinc/76/17/82/970761782.db2.gz RDGBKSQIIFTCHJ-UHFFFAOYSA-N -2 0 376.217 3.258 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)cc1Cl ZINC000394216071 972685211 /nfs/dbraw/zinc/68/52/11/972685211.db2.gz KMCLKPXZBVOXRL-UHFFFAOYSA-N -2 0 391.836 3.084 20 0 GGADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC001605179632 972895667 /nfs/dbraw/zinc/89/56/67/972895667.db2.gz RIORLAOHVBRTPM-HOTGVXAUSA-N -2 0 395.390 3.068 20 0 GGADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc(Cl)cc(Cl)c1 ZINC001605974619 972994866 /nfs/dbraw/zinc/99/48/66/972994866.db2.gz TZMCCCGMAPKINJ-VXGBXAGGSA-N -2 0 399.196 3.090 20 0 GGADRL O=C([O-])C1CCN(Cc2cc(Br)c([O-])c(Br)c2)CC1 ZINC001606015977 973107677 /nfs/dbraw/zinc/10/76/77/973107677.db2.gz JFSNVAGCVLJKME-UHFFFAOYSA-N -2 0 393.075 3.214 20 0 GGADRL CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001603496427 973447776 /nfs/dbraw/zinc/44/77/76/973447776.db2.gz HSGQVOVIUXLYCO-LBPRGKRZSA-N -2 0 396.852 3.295 20 0 GGADRL CC(C)Oc1c([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cccc1C(=O)[O-] ZINC000410399377 973927555 /nfs/dbraw/zinc/92/75/55/973927555.db2.gz DTEGAZFXNSBHGK-UHFFFAOYSA-N -2 0 389.351 3.390 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000433525174 974096681 /nfs/dbraw/zinc/09/66/81/974096681.db2.gz NQPJSNIHTIBBLK-UHFFFAOYSA-N -2 0 387.373 3.223 20 0 GGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1)C(=O)[O-] ZINC000436160366 974099032 /nfs/dbraw/zinc/09/90/32/974099032.db2.gz IGULTICKEFKYCZ-AWEZNQCLSA-N -2 0 397.456 3.208 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c(F)c1 ZINC000438801717 974104161 /nfs/dbraw/zinc/10/41/61/974104161.db2.gz AFJRGYSLRSAQSB-UHFFFAOYSA-N -2 0 392.330 3.299 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)c(F)c1 ZINC000438792332 974104767 /nfs/dbraw/zinc/10/47/67/974104767.db2.gz MHCGLQVWQMOXCN-UHFFFAOYSA-N -2 0 393.392 3.366 20 0 GGADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438812761 974105990 /nfs/dbraw/zinc/10/59/90/974105990.db2.gz PUXULSRUQYBMKB-UHFFFAOYSA-N -2 0 399.852 3.173 20 0 GGADRL CCOc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000443411017 974122387 /nfs/dbraw/zinc/12/23/87/974122387.db2.gz TYYJCWOPYLCFCP-UHFFFAOYSA-N -2 0 379.434 3.372 20 0 GGADRL CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cccc21 ZINC000447788660 974125016 /nfs/dbraw/zinc/12/50/16/974125016.db2.gz RGGJBTFQZPGUGO-CQSZACIVSA-N -2 0 397.836 3.309 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)c(Cl)c1 ZINC000462085041 974185272 /nfs/dbraw/zinc/18/52/72/974185272.db2.gz RNMFPROKKZDCMG-UHFFFAOYSA-N -2 0 394.836 3.188 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c2ncccc12 ZINC000463781027 974187241 /nfs/dbraw/zinc/18/72/41/974187241.db2.gz FPMKFIVYXROSMO-UHFFFAOYSA-N -2 0 390.392 3.272 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c2ncccc12 ZINC000463786031 974187764 /nfs/dbraw/zinc/18/77/64/974187764.db2.gz JXJLCUWUSXDDOB-UHFFFAOYSA-N -2 0 390.392 3.272 20 0 GGADRL CC[C@H](Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1)C(=O)[O-] ZINC000463792871 974187981 /nfs/dbraw/zinc/18/79/81/974187981.db2.gz BZCXCDUWCALNSE-CQSZACIVSA-N -2 0 391.445 3.147 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1c(C(=O)[O-])cccc1C(C)C ZINC000466346408 974189203 /nfs/dbraw/zinc/18/92/03/974189203.db2.gz KCWXQNGMRHUAJG-UHFFFAOYSA-N -2 0 377.418 3.316 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCc2ccncc2)cc1 ZINC000467758554 974191614 /nfs/dbraw/zinc/19/16/14/974191614.db2.gz OKSADBQDMLDWJR-UHFFFAOYSA-N -2 0 388.401 3.061 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nc(C(C)C)no2)cc1 ZINC000467754472 974192038 /nfs/dbraw/zinc/19/20/38/974192038.db2.gz OTJIJXCZONYSID-UHFFFAOYSA-N -2 0 391.405 3.260 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)cc1Cl ZINC000470450562 974194380 /nfs/dbraw/zinc/19/43/80/974194380.db2.gz BVRJXLNTFSCBMH-LLVKDONJSA-N -2 0 397.836 3.007 20 0 GGADRL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc2)n[nH]1 ZINC000468759225 974194597 /nfs/dbraw/zinc/19/45/97/974194597.db2.gz ANGKGFMHANUAJQ-UHFFFAOYSA-N -2 0 391.380 3.149 20 0 GGADRL CCC1(CC)Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)cc2O1 ZINC000468353364 974194727 /nfs/dbraw/zinc/19/47/27/974194727.db2.gz POUPTUMWTKXAKR-UHFFFAOYSA-N -2 0 381.406 3.375 20 0 GGADRL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(C)cc1C ZINC000471582771 974198117 /nfs/dbraw/zinc/19/81/17/974198117.db2.gz YXRVHOQWQDPTOP-UHFFFAOYSA-N -2 0 397.836 3.242 20 0 GGADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000474299666 974202637 /nfs/dbraw/zinc/20/26/37/974202637.db2.gz RFXYEXUMGIMCNH-UHFFFAOYSA-N -2 0 389.351 3.277 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)c1 ZINC000479521901 974217344 /nfs/dbraw/zinc/21/73/44/974217344.db2.gz LDXSKQUBBSCXMH-UHFFFAOYSA-N -2 0 381.409 3.417 20 0 GGADRL Cc1ccc(-n2ncc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2C(C)C)cc1 ZINC000480239717 974218873 /nfs/dbraw/zinc/21/88/73/974218873.db2.gz FYDQQURLKSVEJZ-UHFFFAOYSA-N -2 0 388.449 3.131 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1-c1ncco1 ZINC000481611206 974218884 /nfs/dbraw/zinc/21/88/84/974218884.db2.gz QLUVCFRZKPCSAK-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1C(C)C ZINC000480226241 974218976 /nfs/dbraw/zinc/21/89/76/974218976.db2.gz LRYGYQGJHOBEIO-UHFFFAOYSA-N -2 0 395.481 3.314 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)O[C@@H](C)C2 ZINC000485255464 974224821 /nfs/dbraw/zinc/22/48/21/974224821.db2.gz BBPIOJIESXDAJK-JTQLQIEISA-N -2 0 395.408 3.047 20 0 GGADRL CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489754786 974253830 /nfs/dbraw/zinc/25/38/30/974253830.db2.gz TVJUYGFYYRRAJC-UHFFFAOYSA-N -2 0 396.852 3.496 20 0 GGADRL CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489744631 974254550 /nfs/dbraw/zinc/25/45/50/974254550.db2.gz MIPIXPNVWNNARF-UHFFFAOYSA-N -2 0 381.381 3.146 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cnn1CCC(C)C ZINC000491582296 974257394 /nfs/dbraw/zinc/25/73/94/974257394.db2.gz WLJWDCRKLQCRMM-UHFFFAOYSA-N -2 0 383.445 3.130 20 0 GGADRL Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000499501785 974266635 /nfs/dbraw/zinc/26/66/35/974266635.db2.gz AVZNIDAHCTZXJH-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C(C)C ZINC000499289809 974266714 /nfs/dbraw/zinc/26/67/14/974266714.db2.gz ZSVIKXQRJKLEIF-UHFFFAOYSA-N -2 0 383.445 3.301 20 0 GGADRL Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000499504282 974266970 /nfs/dbraw/zinc/26/69/70/974266970.db2.gz JUXGZYBKHUJZOM-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)cs1 ZINC000500363523 974267008 /nfs/dbraw/zinc/26/70/08/974267008.db2.gz METGOECLRXGMCJ-UHFFFAOYSA-N -2 0 392.414 3.092 20 0 GGADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000504507589 974269439 /nfs/dbraw/zinc/26/94/39/974269439.db2.gz JYPJBFXEVBBOEE-UHFFFAOYSA-N -2 0 389.351 3.360 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000507621169 974278168 /nfs/dbraw/zinc/27/81/68/974278168.db2.gz NIVFARHSNZGBCK-NSHDSACASA-N -2 0 395.458 3.059 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000507617947 974278401 /nfs/dbraw/zinc/27/84/01/974278401.db2.gz BHUXBRLRTIKEPU-NSHDSACASA-N -2 0 395.458 3.059 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(F)F)ccc1C(=O)[O-] ZINC000507969820 974280317 /nfs/dbraw/zinc/28/03/17/974280317.db2.gz MMPTWRGOXLPVHM-UHFFFAOYSA-N -2 0 387.408 3.284 20 0 GGADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000509393217 974282407 /nfs/dbraw/zinc/28/24/07/974282407.db2.gz XGXZZEWPTURDFA-UHFFFAOYSA-N -2 0 392.330 3.355 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)cs1 ZINC000509612482 974283575 /nfs/dbraw/zinc/28/35/75/974283575.db2.gz CGTXYHZINHVLRS-UHFFFAOYSA-N -2 0 387.438 3.478 20 0 GGADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C ZINC000523739304 974350307 /nfs/dbraw/zinc/35/03/07/974350307.db2.gz KVFWFVSUMDZCSP-UHFFFAOYSA-N -2 0 395.481 3.367 20 0 GGADRL CC1(C)CCc2cccc([N-]S(=O)(=O)c3cccc(CC(=O)[O-])c3)c2O1 ZINC000530148178 974355575 /nfs/dbraw/zinc/35/55/75/974355575.db2.gz ZLLCZSHPHNLBJT-UHFFFAOYSA-N -2 0 375.446 3.218 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)cc1Cl ZINC000532037285 974371906 /nfs/dbraw/zinc/37/19/06/974371906.db2.gz ISZQDIASYWONQW-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc1C(=O)[O-] ZINC000532845826 974377008 /nfs/dbraw/zinc/37/70/08/974377008.db2.gz QPACOLGBRVTDOO-UHFFFAOYSA-N -2 0 384.413 3.256 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1OCC(F)F ZINC000536901683 974380680 /nfs/dbraw/zinc/38/06/80/974380680.db2.gz QBKCDDXTXWOMCE-UHFFFAOYSA-N -2 0 389.351 3.277 20 0 GGADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)c1 ZINC000538017020 974386558 /nfs/dbraw/zinc/38/65/58/974386558.db2.gz RZRHNHWWOQHFNG-UHFFFAOYSA-N -2 0 393.314 3.108 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)nn1-c1cccc(F)c1 ZINC000538449656 974387079 /nfs/dbraw/zinc/38/70/79/974387079.db2.gz HZQHZABSHOGGGH-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)nn1-c1ccccc1Cl ZINC000538497308 974389104 /nfs/dbraw/zinc/38/91/04/974389104.db2.gz NMRIQJCZLGTJHQ-UHFFFAOYSA-N -2 0 395.824 3.235 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)c(F)c1 ZINC000540215268 974402666 /nfs/dbraw/zinc/40/26/66/974402666.db2.gz OWXKPNVPPVMSBX-UHFFFAOYSA-N -2 0 393.314 3.108 20 0 GGADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1)C(=O)[O-] ZINC000541803091 974412757 /nfs/dbraw/zinc/41/27/57/974412757.db2.gz ZUNYGOFXVJWWNY-CYBMUJFWSA-N -2 0 386.429 3.406 20 0 GGADRL C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000542234610 974413995 /nfs/dbraw/zinc/41/39/95/974413995.db2.gz DIMLLTDEGNUKSX-SNVBAGLBSA-N -2 0 397.836 3.417 20 0 GGADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000542235404 974414132 /nfs/dbraw/zinc/41/41/32/974414132.db2.gz CJWZXHBMSAPGCN-JTQLQIEISA-N -3 0 397.836 3.417 20 0 GGADRL C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1)C(=O)[O-] ZINC000543653793 974418692 /nfs/dbraw/zinc/41/86/92/974418692.db2.gz UQSRNAKTCKNAHY-JTQLQIEISA-N -2 0 397.836 3.102 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000544098604 974419786 /nfs/dbraw/zinc/41/97/86/974419786.db2.gz MNWXIKRTROJSAB-LLVKDONJSA-N -2 0 377.418 3.072 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)nn1[C@H](C)C1CC1 ZINC000544095689 974419843 /nfs/dbraw/zinc/41/98/43/974419843.db2.gz DRVQQHVRPZOVTP-CYBMUJFWSA-N -2 0 377.466 3.278 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000543699380 974419892 /nfs/dbraw/zinc/41/98/92/974419892.db2.gz MVIAMTFHNBXNLZ-UHFFFAOYSA-N -2 0 388.401 3.158 20 0 GGADRL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c1C ZINC000547554857 974435651 /nfs/dbraw/zinc/43/56/51/974435651.db2.gz VGBDHDAXBZCKHD-UHFFFAOYSA-N -2 0 378.406 3.327 20 0 GGADRL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2c(F)cccc2C(=O)[O-])cc1 ZINC000547586370 974440157 /nfs/dbraw/zinc/44/01/57/974440157.db2.gz YDZOJNMZOWBEDO-UHFFFAOYSA-N -2 0 394.424 3.309 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)nn1-c1ccccc1Cl ZINC000554150529 974482549 /nfs/dbraw/zinc/48/25/49/974482549.db2.gz LNXUFQWGNHEQJZ-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])[C@@H](NS(=O)(=O)c1cc(F)c(F)cc1F)c1ccc2ccccc2c1 ZINC000556417446 974488793 /nfs/dbraw/zinc/48/87/93/974488793.db2.gz CVXVQILXHDUSOX-KRWDZBQOSA-N -2 0 395.358 3.361 20 0 GGADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccccc2OC2CCCC2)c1 ZINC000564549964 974549335 /nfs/dbraw/zinc/54/93/35/974549335.db2.gz PYJXGUQHBMLYCP-UHFFFAOYSA-N -2 0 375.446 3.436 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c(Cl)c1 ZINC000608007571 975016891 /nfs/dbraw/zinc/01/68/91/975016891.db2.gz VUWSQVPFTDQGMX-UHFFFAOYSA-N -2 0 391.836 3.084 20 0 GGADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000642317132 975293489 /nfs/dbraw/zinc/29/34/89/975293489.db2.gz OSMWACOGBCPZAY-UHFFFAOYSA-N -2 0 379.434 3.373 20 0 GGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCCC3)cc1)C(=O)[O-] ZINC000650194932 975429068 /nfs/dbraw/zinc/42/90/68/975429068.db2.gz DUZAPJSZIANHSS-ZDUSSCGKSA-N -2 0 375.446 3.076 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000673497834 976012042 /nfs/dbraw/zinc/01/20/42/976012042.db2.gz NNHCLYZSDYCXTH-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000676077062 976029009 /nfs/dbraw/zinc/02/90/09/976029009.db2.gz IYGIUSXPEJWVBN-LBPRGKRZSA-N -2 0 389.408 3.131 20 0 GGADRL CC(C)Oc1ncc(Cl)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001591811176 976041787 /nfs/dbraw/zinc/04/17/87/976041787.db2.gz DXQMCNCBBMBWGT-UHFFFAOYSA-N -2 0 376.843 3.083 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)n[nH]2)o1 ZINC000683650661 976090848 /nfs/dbraw/zinc/09/08/48/976090848.db2.gz OQCLYEQLAZZQPB-UHFFFAOYSA-N -2 0 375.406 3.094 20 0 GGADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n(-c2ccccc2)n1 ZINC001591935814 976453780 /nfs/dbraw/zinc/45/37/80/976453780.db2.gz GSOXPWYZCMMGQN-UHFFFAOYSA-N -2 0 385.445 3.495 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)NCCc3ccccc3C(=O)[O-])n2)cc1 ZINC001591943462 976479251 /nfs/dbraw/zinc/47/92/51/976479251.db2.gz KPDJPJJSYLJTTB-UHFFFAOYSA-N -2 0 393.443 3.372 20 0 GGADRL CC(C)c1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001591947179 976489619 /nfs/dbraw/zinc/48/96/19/976489619.db2.gz GVYOHWLIPBPWJV-LBPRGKRZSA-N -2 0 379.434 3.100 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)NC(C)(C)c3cc(C(=O)[O-])on3)n2)c1 ZINC001591983089 976601445 /nfs/dbraw/zinc/60/14/45/976601445.db2.gz HAXKXHLKFCEVMT-UHFFFAOYSA-N -2 0 398.419 3.053 20 0 GGADRL CC(C)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cn1 ZINC001592037355 976754242 /nfs/dbraw/zinc/75/42/42/976754242.db2.gz KBUYMHQLCFKBNF-UHFFFAOYSA-N -2 0 390.248 3.406 20 0 GGADRL CC(C)c1nn(-c2ccccc2)c(Cl)c1CN(CCC(=O)[O-])CC(=O)[O-] ZINC001592042760 976771121 /nfs/dbraw/zinc/77/11/21/976771121.db2.gz UANZMFCPBKWXTE-UHFFFAOYSA-N -2 0 379.844 3.010 20 0 GGADRL CC(C)c1oncc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001592108233 976892094 /nfs/dbraw/zinc/89/20/94/976892094.db2.gz NIXPNXPNMOMGEM-UHFFFAOYSA-N -2 0 378.328 3.316 20 0 GGADRL CC(C)c1sc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])nc1C(=O)[O-] ZINC001592115172 976912542 /nfs/dbraw/zinc/91/25/42/976912542.db2.gz SPDNNHUICCMXQM-UHFFFAOYSA-N -2 0 390.396 3.247 20 0 GGADRL CC(C)n1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001592149353 977017255 /nfs/dbraw/zinc/01/72/55/977017255.db2.gz GQJYMBOEOGMKGR-UHFFFAOYSA-N -2 0 393.396 3.362 20 0 GGADRL CC(C)n1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001592150351 977023115 /nfs/dbraw/zinc/02/31/15/977023115.db2.gz ZTNKGSDZAQCKJS-UHFFFAOYSA-N -2 0 393.396 3.362 20 0 GGADRL C[C@@H](/C=C\C(=O)[O-])NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001592215706 977276294 /nfs/dbraw/zinc/27/62/94/977276294.db2.gz BLUVPBLMKYWIJD-ANTNXHBISA-N -2 0 394.836 3.119 20 0 GGADRL C[C@@H](/C=C/C(=O)[O-])NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001592215708 977276408 /nfs/dbraw/zinc/27/64/08/977276408.db2.gz BLUVPBLMKYWIJD-MAHOQKISSA-N -2 0 394.836 3.119 20 0 GGADRL C[C@](CC(=O)Nc1ccc(CC(=O)[O-])cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001592271037 977539691 /nfs/dbraw/zinc/53/96/91/977539691.db2.gz VQPMRLAFWWWOKF-LJQANCHMSA-N -2 0 375.808 3.338 20 0 GGADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC001592424400 978045362 /nfs/dbraw/zinc/04/53/62/978045362.db2.gz RBQWUVWAKJDXAF-SECBINFHSA-N -3 0 399.371 3.042 20 0 GGADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001592424630 978046809 /nfs/dbraw/zinc/04/68/09/978046809.db2.gz UPVHHMMJTKBOMR-SECBINFHSA-N -3 0 399.371 3.042 20 0 GGADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001592424631 978047003 /nfs/dbraw/zinc/04/70/03/978047003.db2.gz UPVHHMMJTKBOMR-VIFPVBQESA-N -3 0 399.371 3.042 20 0 GGADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cc1 ZINC001592424856 978047674 /nfs/dbraw/zinc/04/76/74/978047674.db2.gz YNVDJCIXKJLTGJ-JTQLQIEISA-N -3 0 397.836 3.417 20 0 GGADRL C[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001592466303 978212235 /nfs/dbraw/zinc/21/22/35/978212235.db2.gz VYSJQAGYYXHERH-LLVKDONJSA-N -2 0 387.885 3.450 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)c(C(=O)[O-])c1 ZINC000732951921 978300946 /nfs/dbraw/zinc/30/09/46/978300946.db2.gz UMHAZAMCHOVORN-UHFFFAOYSA-N -2 0 385.854 3.111 20 0 GGADRL CC(C)C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000736402642 978331124 /nfs/dbraw/zinc/33/11/24/978331124.db2.gz TWCAGXPUOBFAQT-GOSISDBHSA-N -2 0 389.473 3.161 20 0 GGADRL CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000736512245 978340236 /nfs/dbraw/zinc/34/02/36/978340236.db2.gz GIZLYVFGTRTALZ-KBPBESRZSA-N -2 0 393.486 3.178 20 0 GGADRL C[C@H](Oc1cccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1)C(=O)[O-] ZINC000736704566 978351118 /nfs/dbraw/zinc/35/11/18/978351118.db2.gz SGTCBECOWMMRNO-BWNDKRECSA-N -2 0 380.356 3.056 20 0 GGADRL C[C@@H](Oc1cccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1)C(=O)[O-] ZINC000736704565 978351336 /nfs/dbraw/zinc/35/13/36/978351336.db2.gz SGTCBECOWMMRNO-AYLMVEPYSA-N -2 0 380.356 3.056 20 0 GGADRL CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC000737353045 978398617 /nfs/dbraw/zinc/39/86/17/978398617.db2.gz WPHDUPYMGPGVPB-UHFFFAOYSA-N -2 0 386.476 3.021 20 0 GGADRL CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000737352560 978398667 /nfs/dbraw/zinc/39/86/67/978398667.db2.gz QXHKAVHBVIJDBA-UHFFFAOYSA-N -2 0 398.437 3.098 20 0 GGADRL CN(C)C(=O)Sc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000737351930 978398772 /nfs/dbraw/zinc/39/87/72/978398772.db2.gz JSJIWTHDMKPRLU-UHFFFAOYSA-N -2 0 398.437 3.098 20 0 GGADRL Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000738166593 978492354 /nfs/dbraw/zinc/49/23/54/978492354.db2.gz PFVJYTYTMLFMLD-UHFFFAOYSA-N -2 0 398.440 3.115 20 0 GGADRL Cc1ccc([C@H](CNC(=O)c2cccc(Br)c2[O-])C(=O)[O-])cc1 ZINC000738568126 978563213 /nfs/dbraw/zinc/56/32/13/978563213.db2.gz YXHRHJKPNBYTMW-ZDUSSCGKSA-N -2 0 378.222 3.061 20 0 GGADRL O=C([O-])CCCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000738582159 978567933 /nfs/dbraw/zinc/56/79/33/978567933.db2.gz RNNRZCBSFNITIV-UHFFFAOYSA-N -2 0 397.836 3.162 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c(F)c1 ZINC000743255070 978677834 /nfs/dbraw/zinc/67/78/34/978677834.db2.gz YRPCQBYDJMMGCM-UHFFFAOYSA-N -2 0 382.388 3.064 20 0 GGADRL Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2)n1 ZINC000745976031 978679340 /nfs/dbraw/zinc/67/93/40/978679340.db2.gz BHYLJJWTURTKST-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c1 ZINC000745977884 978679916 /nfs/dbraw/zinc/67/99/16/978679916.db2.gz DSKFHCUSKWYWGD-UHFFFAOYSA-N -2 0 382.388 3.064 20 0 GGADRL O=C([O-])c1cc(F)c(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000753522611 978693206 /nfs/dbraw/zinc/69/32/06/978693206.db2.gz DBHLVBRLBGFVTM-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc1OC ZINC000753771052 978693514 /nfs/dbraw/zinc/69/35/14/978693514.db2.gz MBJBIQYNKSCXDB-UHFFFAOYSA-N -2 0 383.397 3.040 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1Cl ZINC000753776871 978693989 /nfs/dbraw/zinc/69/39/89/978693989.db2.gz ACNGISZXBGVYLV-UHFFFAOYSA-N -3 0 383.809 3.154 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cnn1CC(C)C ZINC000756938952 978702645 /nfs/dbraw/zinc/70/26/45/978702645.db2.gz GQXUZYJLJPCVGZ-UHFFFAOYSA-N -2 0 383.445 3.048 20 0 GGADRL Cc1ccc(NS(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000759091393 978705153 /nfs/dbraw/zinc/70/51/53/978705153.db2.gz SNVCXDNSZGLKBC-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)cc(C(=O)[O-])c1Cl ZINC000759098033 978705474 /nfs/dbraw/zinc/70/54/74/978705474.db2.gz VOJMEJJSSVQROD-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)c1 ZINC000761280070 978708024 /nfs/dbraw/zinc/70/80/24/978708024.db2.gz LRKYDZDOQRRQDM-UHFFFAOYSA-N -2 0 377.809 3.229 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1OC(C)C ZINC000766379299 978724440 /nfs/dbraw/zinc/72/44/40/978724440.db2.gz MWHLKUKMLBMQGK-UHFFFAOYSA-N -2 0 383.397 3.121 20 0 GGADRL Cc1cccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)c1 ZINC000769620237 978742433 /nfs/dbraw/zinc/74/24/33/978742433.db2.gz MRLMAVVCSKTJLJ-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c2ncccc12 ZINC000769892449 978743744 /nfs/dbraw/zinc/74/37/44/978743744.db2.gz HNTGLOXCKGLFIE-UHFFFAOYSA-N -2 0 392.820 3.396 20 0 GGADRL COC(=O)c1ccc2ccccc2c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000776741201 978775229 /nfs/dbraw/zinc/77/52/29/978775229.db2.gz GICUJHPTMWZTOS-UHFFFAOYSA-N -2 0 385.397 3.125 20 0 GGADRL Cc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)OCO2 ZINC000781114815 978791078 /nfs/dbraw/zinc/79/10/78/978791078.db2.gz CGVAZOMKYUASHX-UHFFFAOYSA-N -2 0 387.772 3.015 20 0 GGADRL O=C([O-])c1csc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC000782201076 978791738 /nfs/dbraw/zinc/79/17/38/978791738.db2.gz PFHPZSUTWSOAFF-WZUFQYTHSA-N -2 0 376.777 3.118 20 0 GGADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1 ZINC000793354534 978803729 /nfs/dbraw/zinc/80/37/29/978803729.db2.gz XXAOYLZKNWJKSQ-UHFFFAOYSA-N -2 0 397.424 3.431 20 0 GGADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793392412 978806060 /nfs/dbraw/zinc/80/60/60/978806060.db2.gz LXBXNJMDYKDUFF-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3C)cccc21 ZINC000793432997 978809681 /nfs/dbraw/zinc/80/96/81/978809681.db2.gz SLIQZIFNRFTVBE-OAHLLOKOSA-N -2 0 395.408 3.103 20 0 GGADRL Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793442323 978809689 /nfs/dbraw/zinc/80/96/89/978809689.db2.gz HRLALWYZLFJTDC-UHFFFAOYSA-N -2 0 392.330 3.355 20 0 GGADRL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(OC)c2)c1 ZINC000794595304 978813850 /nfs/dbraw/zinc/81/38/50/978813850.db2.gz POXSBNPBPZQRAA-UHFFFAOYSA-N -2 0 397.836 3.440 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)ccc1F ZINC000795386131 978833245 /nfs/dbraw/zinc/83/32/45/978833245.db2.gz CUOXNNGVKMPUGT-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)c(Cl)n1 ZINC000800843446 978847516 /nfs/dbraw/zinc/84/75/16/978847516.db2.gz DRKNNCSHTGFZCQ-UHFFFAOYSA-N -2 0 384.841 3.330 20 0 GGADRL CCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c1C1CC1 ZINC000830087730 979012761 /nfs/dbraw/zinc/01/27/61/979012761.db2.gz QVKJBMMVTCPAOT-UHFFFAOYSA-N -2 0 381.429 3.117 20 0 GGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C1CC1 ZINC001595027474 979144596 /nfs/dbraw/zinc/14/45/96/979144596.db2.gz WIXKQFDTRJVCSB-JTQLQIEISA-N -2 0 381.429 3.370 20 0 GGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C1CC1 ZINC001595027475 979144797 /nfs/dbraw/zinc/14/47/97/979144797.db2.gz WIXKQFDTRJVCSB-SNVBAGLBSA-N -2 0 381.429 3.370 20 0 GGADRL C[C@@](CNC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC001592697365 979153347 /nfs/dbraw/zinc/15/33/47/979153347.db2.gz SVFCMCPRLJRVCC-QFIPXVFZSA-N -2 0 393.395 3.237 20 0 GGADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)C(C)C ZINC001595036671 979198795 /nfs/dbraw/zinc/19/87/95/979198795.db2.gz IFCZGLSKWHBEFO-JTQLQIEISA-N -2 0 395.399 3.281 20 0 GGADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001595037193 979204349 /nfs/dbraw/zinc/20/43/49/979204349.db2.gz SACHNLPJLPZJQR-LBPRGKRZSA-N -2 0 395.864 3.427 20 0 GGADRL CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001595125616 979508649 /nfs/dbraw/zinc/50/86/49/979508649.db2.gz CGDMYPZUWGNZCY-LBPRGKRZSA-N -2 0 387.885 3.450 20 0 GGADRL C[C@H](Cc1ccc(NC(=O)[C@@](C)(CC(=O)[O-])c2ccsc2)cc1)C(=O)[O-] ZINC001592857436 979663793 /nfs/dbraw/zinc/66/37/93/979663793.db2.gz JCQIEBOSFJBFKP-BLVKFPJESA-N -2 0 375.446 3.382 20 0 GGADRL C[C@@H](Cc1ccc(NC(=O)[C@](C)(CC(=O)[O-])c2ccsc2)cc1)C(=O)[O-] ZINC001592857439 979663886 /nfs/dbraw/zinc/66/38/86/979663886.db2.gz JCQIEBOSFJBFKP-HXPMCKFVSA-N -2 0 375.446 3.382 20 0 GGADRL C[C@H](Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1)C(=O)[O-] ZINC001592881975 979750943 /nfs/dbraw/zinc/75/09/43/979750943.db2.gz CXJXDECGTXIXJM-SNVBAGLBSA-N -2 0 397.836 3.102 20 0 GGADRL C[C@@H](Cc1ccccc1F)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001592896695 979798426 /nfs/dbraw/zinc/79/84/26/979798426.db2.gz RTZCRZHLFCXFDY-VIFPVBQESA-N -2 0 389.807 3.226 20 0 GGADRL C[C@H](Cc1nnc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)o1)CC(C)(C)C ZINC001592913183 979885886 /nfs/dbraw/zinc/88/58/86/979885886.db2.gz YJCWRENTDICIBE-GFCCVEGCSA-N -2 0 395.481 3.112 20 0 GGADRL CC[C@@H](NC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-])C(=O)[O-] ZINC001595277453 980306072 /nfs/dbraw/zinc/30/60/72/980306072.db2.gz VBPNEOZUVSWNPY-SECBINFHSA-N -2 0 392.626 3.131 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000901838998 980558118 /nfs/dbraw/zinc/55/81/18/980558118.db2.gz KLDVEQHGHHCKOF-UHFFFAOYSA-N -2 0 391.323 3.093 20 0 GGADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000901861715 980580691 /nfs/dbraw/zinc/58/06/91/980580691.db2.gz ZVDUYTHODHJMHG-UHFFFAOYSA-N -2 0 379.434 3.291 20 0 GGADRL CC[C@@H](c1nnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)o1)c1ccccc1 ZINC001595363675 980784883 /nfs/dbraw/zinc/78/48/83/980784883.db2.gz HSRQZCRXMVNZDZ-GFCCVEGCSA-N -2 0 393.446 3.172 20 0 GGADRL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)CCCC1 ZINC001595367071 980818032 /nfs/dbraw/zinc/81/80/32/980818032.db2.gz WGYLPCULWWJFFM-UHFFFAOYSA-N -2 0 393.383 3.179 20 0 GGADRL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)nc3C(=O)[O-])cc2O1 ZINC001595372428 980861669 /nfs/dbraw/zinc/86/16/69/980861669.db2.gz HZGSLYPZVGLXCI-INIZCTEOSA-N -2 0 398.824 3.131 20 0 GGADRL CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3c(C)csc3C(=O)[O-])cc2O1 ZINC001595372737 980865576 /nfs/dbraw/zinc/86/55/76/980865576.db2.gz SPMYOJDCKXGTKF-MRXNPFEDSA-N -2 0 383.447 3.453 20 0 GGADRL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)sc2C1 ZINC001595469884 981166080 /nfs/dbraw/zinc/16/60/80/981166080.db2.gz CZRLCLSVWZEYIU-VIFPVBQESA-N -2 0 384.454 3.296 20 0 GGADRL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3OC)sc2C1 ZINC001595470567 981169130 /nfs/dbraw/zinc/16/91/30/981169130.db2.gz KAGXUEDMTYFHTG-JTQLQIEISA-N -2 0 396.490 3.166 20 0 GGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)Cc3ccc(C(=O)[O-])cc3)sc2C1 ZINC001595470504 981169147 /nfs/dbraw/zinc/16/91/47/981169147.db2.gz JGKFXHSRPRMVMO-LLVKDONJSA-N -2 0 380.491 3.298 20 0 GGADRL CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC001595531418 981366332 /nfs/dbraw/zinc/36/63/32/981366332.db2.gz HRZUQBKMUXQTMW-UHFFFAOYSA-N -2 0 386.813 3.171 20 0 GGADRL CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001595537919 981388818 /nfs/dbraw/zinc/38/88/18/981388818.db2.gz DCTAPKVYOLBJKF-UHFFFAOYSA-N -2 0 395.399 3.425 20 0 GGADRL CCC[C@](C)([N-]S(=O)(=O)c1oc2ccccc2c1Br)C(=O)[O-] ZINC001595566502 981461285 /nfs/dbraw/zinc/46/12/85/981461285.db2.gz QPBWNFPOOLGVQH-AWEZNQCLSA-N -2 0 390.255 3.117 20 0 GGADRL CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001595570649 981474500 /nfs/dbraw/zinc/47/45/00/981474500.db2.gz GMWSRGIZPIPZQB-SECBINFHSA-N -2 0 381.372 3.035 20 0 GGADRL CCC[C@@H](C)C[C@H](NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-])C(=O)[O-] ZINC001595571556 981480004 /nfs/dbraw/zinc/48/00/04/981480004.db2.gz SNCPLRPMADVKJO-PWSUYJOCSA-N -2 0 399.490 3.157 20 0 GGADRL CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001595631224 981835789 /nfs/dbraw/zinc/83/57/89/981835789.db2.gz HZEQBVKIQKOPLD-SECBINFHSA-N -2 0 381.372 3.035 20 0 GGADRL CCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC001594802095 981899609 /nfs/dbraw/zinc/89/96/09/981899609.db2.gz WHVURUOOBGTYAD-UHFFFAOYSA-N -2 0 382.251 3.001 20 0 GGADRL CCCCC1CCC(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001595660227 982069374 /nfs/dbraw/zinc/06/93/74/982069374.db2.gz BETBHTLAKHBQLE-UHFFFAOYSA-N -2 0 381.494 3.327 20 0 GGADRL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001595662380 982078989 /nfs/dbraw/zinc/07/89/89/982078989.db2.gz BMIFWDOXUUKMTD-UHFFFAOYSA-N -2 0 375.874 3.450 20 0 GGADRL CCCCCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC001595720488 982331946 /nfs/dbraw/zinc/33/19/46/982331946.db2.gz DEZIFCYAAKDICH-UHFFFAOYSA-N -2 0 397.474 3.134 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001595748335 982418427 /nfs/dbraw/zinc/41/84/27/982418427.db2.gz WKWRPJCBZCLOBA-UHFFFAOYSA-N -2 0 391.445 3.387 20 0 GGADRL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001594922037 982473636 /nfs/dbraw/zinc/47/36/36/982473636.db2.gz WFDJOLKXWMSEEV-KBUNVGBDSA-N -2 0 391.770 3.433 20 0 GGADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)c1C(C)C ZINC001595811123 982648381 /nfs/dbraw/zinc/64/83/81/982648381.db2.gz WXFSMKMMRRRFCZ-UHFFFAOYSA-N -2 0 395.481 3.314 20 0 GGADRL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000917744373 982681675 /nfs/dbraw/zinc/68/16/75/982681675.db2.gz VLEWAUDLGAKOQW-UHFFFAOYSA-N -2 0 398.824 3.407 20 0 GGADRL COC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000917745736 982681716 /nfs/dbraw/zinc/68/17/16/982681716.db2.gz VYWALDTUZRMPRJ-UHFFFAOYSA-N -2 0 391.426 3.187 20 0 GGADRL CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])cc1 ZINC001594991696 982858030 /nfs/dbraw/zinc/85/80/30/982858030.db2.gz MNMDTNIPRBPEEE-LLVKDONJSA-N -2 0 396.490 3.084 20 0 GGADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001595890727 982921037 /nfs/dbraw/zinc/92/10/37/982921037.db2.gz AUNKKUOARNZVOB-NEPJUHHUSA-N -2 0 377.466 3.027 20 0 GGADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001595954828 983141513 /nfs/dbraw/zinc/14/15/13/983141513.db2.gz OYSZVQVESXBDCU-UHFFFAOYSA-N -3 0 399.446 3.043 20 0 GGADRL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)cc1F ZINC001595966940 983175896 /nfs/dbraw/zinc/17/58/96/983175896.db2.gz XEYVKFFCQWEYPW-UHFFFAOYSA-N -2 0 383.397 3.122 20 0 GGADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(COC)cc(C(=O)[O-])c1 ZINC001595974469 983202858 /nfs/dbraw/zinc/20/28/58/983202858.db2.gz YWJNPHKIYKWWIO-UHFFFAOYSA-N -2 0 379.434 3.121 20 0 GGADRL CCC[C@@H](NC(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1)C(=O)[O-] ZINC001595998127 983254709 /nfs/dbraw/zinc/25/47/09/983254709.db2.gz KMSKEORYZQDLJW-LJQANCHMSA-N -2 0 393.443 3.005 20 0 GGADRL CCCc1c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cnn1-c1ccccc1 ZINC001596051225 983351121 /nfs/dbraw/zinc/35/11/21/983351121.db2.gz TWYMRCJRVCKRCM-UHFFFAOYSA-N -2 0 391.474 3.385 20 0 GGADRL CCCc1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])n(C)n1 ZINC001596059263 983367712 /nfs/dbraw/zinc/36/77/12/983367712.db2.gz YGYIEZGISXDZLM-UHFFFAOYSA-N -2 0 392.264 3.178 20 0 GGADRL CCCc1csc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)n1 ZINC001596074790 983390671 /nfs/dbraw/zinc/39/06/71/983390671.db2.gz NMYXVYOPZVXZCV-UHFFFAOYSA-N -2 0 378.834 3.387 20 0 GGADRL CCCc1csc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])n1 ZINC001596074862 983391612 /nfs/dbraw/zinc/39/16/12/983391612.db2.gz RMZDAKJROUIZIP-UHFFFAOYSA-N -2 0 377.447 3.143 20 0 GGADRL CCCc1csc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)n1 ZINC001596074901 983391625 /nfs/dbraw/zinc/39/16/25/983391625.db2.gz SUYQQKFIBLLOCI-UHFFFAOYSA-N -2 0 390.870 3.257 20 0 GGADRL CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])cc1 ZINC001596587483 984521232 /nfs/dbraw/zinc/52/12/32/984521232.db2.gz WTMLWEHUISBMKL-TWGQIWQCSA-N -2 0 395.458 3.132 20 0 GGADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1C(=O)[O-] ZINC001596732166 985008918 /nfs/dbraw/zinc/00/89/18/985008918.db2.gz UJKXGOPQTFQAOE-UHFFFAOYSA-N -2 0 383.809 3.016 20 0 GGADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])ccc1Cl ZINC001589182441 985559154 /nfs/dbraw/zinc/55/91/54/985559154.db2.gz MGQIKNBIIISXRQ-UHFFFAOYSA-N -2 0 388.854 3.167 20 0 GGADRL Cc1[nH]c(C([O-])=CS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C)c1C(=O)[O-] ZINC001599947998 985561492 /nfs/dbraw/zinc/56/14/92/985561492.db2.gz SNZQTNQHGZVSNR-UHFFFAOYSA-N -2 0 389.351 3.005 20 0 GGADRL Cc1[nH]c(C([O-])=CS(=O)(=O)Cc2cccc(C(F)F)c2)c(C)c1C(=O)[O-] ZINC001599948207 985564590 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999646707 /nfs/dbraw/zinc/64/67/07/999646707.db2.gz CWWXEKRLIJXPEI-QMMMGPOBSA-N -2 0 386.882 3.420 20 0 GGADRL C[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C4(C(=O)[O-])CC4)cc3)sc2C1 ZINC001594450795 999648584 /nfs/dbraw/zinc/64/85/84/999648584.db2.gz KMKWCGKCYCKVAE-LLVKDONJSA-N -2 0 392.502 3.185 20 0 GGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000048333669 205120200 /nfs/dbraw/zinc/12/02/00/205120200.db2.gz HOZGYRGKDDVQFV-UHFFFAOYSA-N -2 0 399.852 3.094 20 0 GGADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000058494592 205176129 /nfs/dbraw/zinc/17/61/29/205176129.db2.gz SIPXEHJJBIHUGL-UHFFFAOYSA-N -2 0 392.264 3.444 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(OCC(F)(F)F)c1 ZINC000071824032 205299512 /nfs/dbraw/zinc/29/95/12/205299512.db2.gz PKMGBSBSMFQHCA-UHFFFAOYSA-N -2 0 395.380 3.497 20 0 GGADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000033047696 206096953 /nfs/dbraw/zinc/09/69/53/206096953.db2.gz OVXUIWLBSZCFAY-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-])OCCO2 ZINC000451031793 450601201 /nfs/dbraw/zinc/60/12/01/450601201.db2.gz NIJACCWQTVPSRZ-UHFFFAOYSA-N -2 0 385.825 3.016 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC000115869778 564199996 /nfs/dbraw/zinc/19/99/96/564199996.db2.gz FFNVSKPQCPANQS-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(OC)cc1Cl ZINC000007709331 564239903 /nfs/dbraw/zinc/23/99/03/564239903.db2.gz XUQFBLJDWFHQCB-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000008106206 564246194 /nfs/dbraw/zinc/24/61/94/564246194.db2.gz NSUCOKSQOFDEIB-UHFFFAOYSA-N -2 0 383.853 3.475 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(OC)cc1Cl ZINC000013349799 564276217 /nfs/dbraw/zinc/27/62/17/564276217.db2.gz NVAFZHPRWSNAND-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000122146169 564401923 /nfs/dbraw/zinc/40/19/23/564401923.db2.gz OIFFONZZPYHSMF-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)s2)ccc1F ZINC000037396380 564421099 /nfs/dbraw/zinc/42/10/99/564421099.db2.gz FUKQLAHGVXPXAE-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c1 ZINC000040146691 564426347 /nfs/dbraw/zinc/42/63/47/564426347.db2.gz YRWQGYPQICLZNR-UHFFFAOYSA-N -2 0 376.415 3.434 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)sc1Br ZINC000124655096 564488433 /nfs/dbraw/zinc/48/84/33/564488433.db2.gz TYPSAZOWIGPXTC-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1Cl ZINC000045774863 564488546 /nfs/dbraw/zinc/48/85/46/564488546.db2.gz FKAZMURWZOBSAI-UHFFFAOYSA-N -2 0 388.854 3.167 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c(OC)cc1Cl ZINC000045774468 564488844 /nfs/dbraw/zinc/48/88/44/564488844.db2.gz MPXAKLYTSOKBBX-UHFFFAOYSA-N -2 0 391.854 3.226 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1Cl ZINC000045774824 564488963 /nfs/dbraw/zinc/48/89/63/564488963.db2.gz FCNPJQRTNJADKL-UHFFFAOYSA-N -2 0 391.854 3.226 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Cl ZINC000047318050 564517961 /nfs/dbraw/zinc/51/79/61/564517961.db2.gz IQZIUQMRKSFWJN-UHFFFAOYSA-N -2 0 391.188 3.401 20 0 GGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000047949061 564529055 /nfs/dbraw/zinc/52/90/55/564529055.db2.gz QHYFOVDPWBCEAZ-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)cc1 ZINC000048382651 564538493 /nfs/dbraw/zinc/53/84/93/564538493.db2.gz PQPQTAGXQVWXLU-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)c1 ZINC000048382611 564538597 /nfs/dbraw/zinc/53/85/97/564538597.db2.gz XAMCRBYANSJFKX-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)sc1C(=O)[O-] ZINC000048382873 564538643 /nfs/dbraw/zinc/53/86/43/564538643.db2.gz ASFXMLMJKYQGNJ-UHFFFAOYSA-N -2 0 384.454 3.295 20 0 GGADRL COc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000048442096 564540474 /nfs/dbraw/zinc/54/04/74/564540474.db2.gz BXLVEUOVWGQRKO-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)cccc2F)cc(C(F)(F)F)c1 ZINC000052471641 564572213 /nfs/dbraw/zinc/57/22/13/564572213.db2.gz STSVIAQNGBRQGD-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2F)cc(C(F)(F)F)c1 ZINC000052471747 564572478 /nfs/dbraw/zinc/57/24/78/564572478.db2.gz UOMQWNVMIPDGTG-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000054795408 564608778 /nfs/dbraw/zinc/60/87/78/564608778.db2.gz YSCYTUSVBZXEOY-UHFFFAOYSA-N -2 0 390.200 3.191 20 0 GGADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000054795463 564609499 /nfs/dbraw/zinc/60/94/99/564609499.db2.gz JBENQLUJJJYATC-UHFFFAOYSA-N -2 0 390.200 3.191 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccc(C)cc2Cl)c(C(=O)[O-])cc1OC ZINC000055508110 564622701 /nfs/dbraw/zinc/62/27/01/564622701.db2.gz PJWLCWBESPIDBO-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c(Cl)c1 ZINC000129799854 564661315 /nfs/dbraw/zinc/66/13/15/564661315.db2.gz LSVSKGKQLLWYDC-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)cc2Cl)c(C(=O)[O-])c1 ZINC000060362454 564697190 /nfs/dbraw/zinc/69/71/90/564697190.db2.gz HRQWDTYIQBGPFO-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccc(C)s2)c(C(=O)[O-])cc1OC(F)F ZINC000067659778 564796683 /nfs/dbraw/zinc/79/66/83/564796683.db2.gz UWCPEEIPGYPOMB-UHFFFAOYSA-N -2 0 393.389 3.166 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Br ZINC000070140424 564849565 /nfs/dbraw/zinc/84/95/65/564849565.db2.gz ROJLOMPWSUFPJT-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)c1 ZINC000070825709 564852213 /nfs/dbraw/zinc/85/22/13/564852213.db2.gz TUAQICXPKISBDI-UHFFFAOYSA-N -2 0 381.431 3.289 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000071415300 564856121 /nfs/dbraw/zinc/85/61/21/564856121.db2.gz TYCDIJKNANTCEA-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Nc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1Cl ZINC000078938535 564865757 /nfs/dbraw/zinc/86/57/57/564865757.db2.gz MQSRAXMKACWLHZ-UHFFFAOYSA-N -2 0 379.196 3.214 20 0 GGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000089568905 564870372 /nfs/dbraw/zinc/87/03/72/564870372.db2.gz BVIFPFOVDUYKBY-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1n[n-]c2ccccc2c1=O ZINC000095446770 564898753 /nfs/dbraw/zinc/89/87/53/564898753.db2.gz OYFFXHCZRCGOND-UHFFFAOYSA-N -2 0 394.612 3.297 20 0 GGADRL Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000152695432 564968587 /nfs/dbraw/zinc/96/85/87/564968587.db2.gz UADHXRBTLJVMPN-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)cc2F)ccc1F ZINC000154460640 565039935 /nfs/dbraw/zinc/03/99/35/565039935.db2.gz PNVUGCBBFRMBLC-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000111309566 565051672 /nfs/dbraw/zinc/05/16/72/565051672.db2.gz WIPUNFHLIAJSRH-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000184151393 565115965 /nfs/dbraw/zinc/11/59/65/565115965.db2.gz DGJYYFVFVZDNKD-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)c1 ZINC000159902486 565222392 /nfs/dbraw/zinc/22/23/92/565222392.db2.gz VSGLPKUFFCTGDO-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000170619876 565383028 /nfs/dbraw/zinc/38/30/28/565383028.db2.gz AZYXSXFXBMIGDT-UHFFFAOYSA-N -2 0 379.825 3.061 20 0 GGADRL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000275211019 565397787 /nfs/dbraw/zinc/39/77/87/565397787.db2.gz HRBBBWQTBXEXCR-ZETCQYMHSA-N -2 0 382.599 3.034 20 0 GGADRL Cc1ccc(F)c(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)n[nH]2)c1 ZINC000188532884 565406960 /nfs/dbraw/zinc/40/69/60/565406960.db2.gz OJCIASRHKHCCBH-UHFFFAOYSA-N -2 0 381.410 3.085 20 0 GGADRL Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000298843708 565431385 /nfs/dbraw/zinc/43/13/85/565431385.db2.gz HTSACKPGVGCFGD-UHFFFAOYSA-N -2 0 382.463 3.150 20 0 GGADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1C ZINC000278051871 565536755 /nfs/dbraw/zinc/53/67/55/565536755.db2.gz JFCHMWVMKUMJML-UHFFFAOYSA-N -2 0 385.511 3.378 20 0 GGADRL Cc1cc(Br)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000389163533 565553481 /nfs/dbraw/zinc/55/34/81/565553481.db2.gz MBBAONBVRHHAIY-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000390296120 565556388 /nfs/dbraw/zinc/55/63/88/565556388.db2.gz JLZNNUOKHBXYBV-UHFFFAOYSA-N -2 0 398.234 3.151 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000392193682 565563921 /nfs/dbraw/zinc/56/39/21/565563921.db2.gz WFNLAHYWABYQMY-UHFFFAOYSA-N -2 0 381.740 3.342 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c(F)c1 ZINC000393054635 565567070 /nfs/dbraw/zinc/56/70/70/565567070.db2.gz PWWVVXJBKMNUCG-UHFFFAOYSA-N -2 0 379.287 3.065 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000393111409 565568183 /nfs/dbraw/zinc/56/81/83/565568183.db2.gz VYCOCKGNHYCBEY-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000393103341 565568766 /nfs/dbraw/zinc/56/87/66/565568766.db2.gz ROKDZBUOFPAAAY-UHFFFAOYSA-N -2 0 382.463 3.232 20 0 GGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000315537655 565590411 /nfs/dbraw/zinc/59/04/11/565590411.db2.gz GZPUJVDDRYYPLE-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000316965016 565593094 /nfs/dbraw/zinc/59/30/94/565593094.db2.gz MQTWJZBDQPKBNJ-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000317596757 565594563 /nfs/dbraw/zinc/59/45/63/565594563.db2.gz PZCRWPKXTKXTAS-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Br)cc1F ZINC000318213136 565595682 /nfs/dbraw/zinc/59/56/82/565595682.db2.gz SVEDIGYIMMDIRQ-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2cccc(Br)c2C)cc1C(=O)[O-] ZINC000318681889 565597427 /nfs/dbraw/zinc/59/74/27/565597427.db2.gz FUQOIINHGPHEEE-UHFFFAOYSA-N -2 0 387.255 3.078 20 0 GGADRL O=C([O-])c1csc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c1 ZINC000191358452 565598856 /nfs/dbraw/zinc/59/88/56/565598856.db2.gz XQMHNMSFGVLRNT-UHFFFAOYSA-N -2 0 393.218 3.303 20 0 GGADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000322400250 565609080 /nfs/dbraw/zinc/60/90/80/565609080.db2.gz RSHAGZZEUXJZOG-SNVBAGLBSA-N -2 0 399.266 3.223 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)cs1 ZINC000324610340 565618658 /nfs/dbraw/zinc/61/86/58/565618658.db2.gz WZWPQBUJPDHHQU-UHFFFAOYSA-N -2 0 383.838 3.086 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c(Cl)c1 ZINC000326612358 565625080 /nfs/dbraw/zinc/62/50/80/565625080.db2.gz JZQSYVXOBOENJX-UHFFFAOYSA-N -2 0 377.752 3.440 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c(O)c1 ZINC000326868355 565626117 /nfs/dbraw/zinc/62/61/17/565626117.db2.gz XTHZDQNCHSHKRZ-UHFFFAOYSA-N -2 0 393.751 3.146 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)cc1Cl ZINC000326964305 565627155 /nfs/dbraw/zinc/62/71/55/565627155.db2.gz JSGDMAQPDZRXPY-UHFFFAOYSA-N -2 0 380.731 3.253 20 0 GGADRL Cc1cc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000191751384 565628953 /nfs/dbraw/zinc/62/89/53/565628953.db2.gz REOKBHZZHQZJJM-UHFFFAOYSA-N -2 0 383.166 3.030 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000327295413 565629356 /nfs/dbraw/zinc/62/93/56/565629356.db2.gz JWYWOHVQUPBXGE-UHFFFAOYSA-N -2 0 380.447 3.238 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1Cl ZINC000327690286 565631854 /nfs/dbraw/zinc/63/18/54/565631854.db2.gz RTOAGYQIMNLMEP-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c(Cl)c1 ZINC000327713053 565632940 /nfs/dbraw/zinc/63/29/40/565632940.db2.gz DMXJXOPWIIEDMS-UHFFFAOYSA-N -2 0 378.793 3.494 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c(Cl)c1 ZINC000327716081 565633330 /nfs/dbraw/zinc/63/33/30/565633330.db2.gz FAUKEDDHEKDUJY-UHFFFAOYSA-N -2 0 377.809 3.229 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c(Cl)c1 ZINC000327875386 565633568 /nfs/dbraw/zinc/63/35/68/565633568.db2.gz YBWNIXDCJRYDAJ-UHFFFAOYSA-N -2 0 377.809 3.229 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Br)c2F)ccc1F ZINC000410363424 565679324 /nfs/dbraw/zinc/67/93/24/565679324.db2.gz IWAKYUBYIBONFP-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc(Br)c2F)c1 ZINC000410377587 565681239 /nfs/dbraw/zinc/68/12/39/565681239.db2.gz DJOHZVBBDUNJLT-UHFFFAOYSA-N -2 0 388.214 3.016 20 0 GGADRL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000410420007 565684561 /nfs/dbraw/zinc/68/45/61/565684561.db2.gz IXABHZCRZDRVCF-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL O=S(=O)([N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1)c1cccs1 ZINC000193338348 565746047 /nfs/dbraw/zinc/74/60/47/565746047.db2.gz DRRGWEZMPCWXOQ-UHFFFAOYSA-N -2 0 394.499 3.350 20 0 GGADRL Cc1c(Br)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000227870201 565924277 /nfs/dbraw/zinc/92/42/77/565924277.db2.gz MKKBNNZXDGEXPO-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)sc1Br ZINC000229620049 565927379 /nfs/dbraw/zinc/92/73/79/565927379.db2.gz GBDONZRXVBRSKR-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1F ZINC000229619927 565927419 /nfs/dbraw/zinc/92/74/19/565927419.db2.gz RFHZDNHDUDLYSJ-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)c1F ZINC000180520537 566070248 /nfs/dbraw/zinc/07/02/48/566070248.db2.gz CHOUEBONZHRCGN-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000181709539 566160622 /nfs/dbraw/zinc/16/06/22/566160622.db2.gz MDRTXTCXMWYWKM-UHFFFAOYSA-N -2 0 385.873 3.308 20 0 GGADRL O=C([N-]C[C@H]1CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1)C(F)(F)F ZINC000290885423 566193399 /nfs/dbraw/zinc/19/33/99/566193399.db2.gz CEDSKHWBTBJGAB-MRVPVSSYSA-N -2 0 399.196 3.230 20 0 GGADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(SC)c1 ZINC000509089112 566260723 /nfs/dbraw/zinc/26/07/23/566260723.db2.gz HNXOQMUVDKDOKS-UHFFFAOYSA-N -2 0 385.438 3.445 20 0 GGADRL O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(Br)cc(Cl)c1[O-] ZINC000534899469 566263616 /nfs/dbraw/zinc/26/36/16/566263616.db2.gz BHBBXPLINBAWAN-SECBINFHSA-N -2 0 384.679 3.119 20 0 GGADRL CC(C)Cn1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(C(F)F)n1 ZINC000534900178 566263743 /nfs/dbraw/zinc/26/37/43/566263743.db2.gz ITVLEGZEQGQCLY-UHFFFAOYSA-N -2 0 379.410 3.037 20 0 GGADRL COc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)cc2s1 ZINC000556352187 566288742 /nfs/dbraw/zinc/28/87/42/566288742.db2.gz YUYUUTBVGKUIOY-UHFFFAOYSA-N -2 0 384.460 3.174 20 0 GGADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000556349085 566289377 /nfs/dbraw/zinc/28/93/77/566289377.db2.gz YEBDITQTIUHBGY-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000599926364 566303024 /nfs/dbraw/zinc/30/30/24/566303024.db2.gz VTTWYRIBOOLNPD-UHFFFAOYSA-N -2 0 380.809 3.329 20 0 GGADRL Cc1csc(Sc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)n1 ZINC000509590236 566319115 /nfs/dbraw/zinc/31/91/15/566319115.db2.gz LSXVSMBEHVMVIY-UHFFFAOYSA-N -2 0 395.487 3.430 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c(F)c1 ZINC000535780437 566326536 /nfs/dbraw/zinc/32/65/36/566326536.db2.gz BMQXUMJFUWCOBR-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000446626704 566359087 /nfs/dbraw/zinc/35/90/87/566359087.db2.gz YAZRFCLKSISBIK-UHFFFAOYSA-N -3 0 383.447 3.243 20 0 GGADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCO2 ZINC000446627140 566359508 /nfs/dbraw/zinc/35/95/08/566359508.db2.gz WUMFUKLTNRIRIT-UHFFFAOYSA-N -2 0 383.447 3.273 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(F)(F)F ZINC000576582499 566361471 /nfs/dbraw/zinc/36/14/71/566361471.db2.gz SAHLKJBILGHJHH-SECBINFHSA-N -2 0 389.417 3.100 20 0 GGADRL O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1cc(Br)cc(Cl)c1[O-])C2 ZINC000576823408 566380875 /nfs/dbraw/zinc/38/08/75/566380875.db2.gz QYOWBSSSJSQMNG-VXJOIVPMSA-N -2 0 388.645 3.135 20 0 GGADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000447114529 566387594 /nfs/dbraw/zinc/38/75/94/566387594.db2.gz RXMSEFISQWYJCQ-NSHDSACASA-N -2 0 383.853 3.413 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)sc1C(=O)[O-] ZINC000536905919 566411580 /nfs/dbraw/zinc/41/15/80/566411580.db2.gz PWXQCVINIBOPRA-UHFFFAOYSA-N -2 0 395.380 3.339 20 0 GGADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])s1 ZINC000484505708 566432482 /nfs/dbraw/zinc/43/24/82/566432482.db2.gz VRKUATSRVJAKRS-UHFFFAOYSA-N -2 0 386.520 3.436 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1Br ZINC000484494942 566432547 /nfs/dbraw/zinc/43/25/47/566432547.db2.gz MVJRUPIKFBBSLX-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2Br)ccc1F ZINC000484536930 566434183 /nfs/dbraw/zinc/43/41/83/566434183.db2.gz XRWJQNRRMUVAFV-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)cc1F ZINC000671663337 566435465 /nfs/dbraw/zinc/43/54/65/566435465.db2.gz BDAPYKKOXBGBPI-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c1 ZINC000671663490 566435594 /nfs/dbraw/zinc/43/55/94/566435594.db2.gz PTZDXXSZHNKLEX-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000484581392 566437532 /nfs/dbraw/zinc/43/75/32/566437532.db2.gz GGDSKKFXJYFISD-UHFFFAOYSA-N -2 0 399.266 3.014 20 0 GGADRL CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000484604544 566440042 /nfs/dbraw/zinc/44/00/42/566440042.db2.gz RRLXKAARCOGPJN-UHFFFAOYSA-N -2 0 399.266 3.014 20 0 GGADRL O=C([O-])CCCCCS(=O)(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000577510330 566442526 /nfs/dbraw/zinc/44/25/26/566442526.db2.gz VFPNMUCIJPUKHV-ZDUSSCGKSA-N -2 0 389.342 3.133 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)cc1C(=O)[O-] ZINC000511318515 566453654 /nfs/dbraw/zinc/45/36/54/566453654.db2.gz CSAUMOZSZPFDAX-UHFFFAOYSA-N -2 0 392.216 3.207 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc1C(=O)[O-] ZINC000484793813 566456474 /nfs/dbraw/zinc/45/64/74/566456474.db2.gz UPJHBISNFNBCGM-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1C ZINC000448132028 566459473 /nfs/dbraw/zinc/45/94/73/566459473.db2.gz FUGKMVVRZIRZHW-UHFFFAOYSA-N -2 0 385.873 3.452 20 0 GGADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000484974462 566466760 /nfs/dbraw/zinc/46/67/60/566466760.db2.gz IEOVIOOKILLKSC-UHFFFAOYSA-N -2 0 375.855 3.228 20 0 GGADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000484986850 566467835 /nfs/dbraw/zinc/46/78/35/566467835.db2.gz LWMAZXWEJIXSDP-UHFFFAOYSA-N -2 0 387.816 3.306 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)c1 ZINC000485076250 566473687 /nfs/dbraw/zinc/47/36/87/566473687.db2.gz GNOLOEKZHIBGNU-UHFFFAOYSA-N -2 0 393.471 3.188 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)nn1-c1ccccc1 ZINC000537836965 566475881 /nfs/dbraw/zinc/47/58/81/566475881.db2.gz MSARRXOEXAVZCO-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(F)ccc2Br)cccc1C(=O)[O-] ZINC000485206401 566482935 /nfs/dbraw/zinc/48/29/35/566482935.db2.gz FJOQQBFFCPQZOB-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000511724242 566484706 /nfs/dbraw/zinc/48/47/06/566484706.db2.gz UIIUGNMYVNYGPC-UHFFFAOYSA-N -3 0 383.447 3.243 20 0 GGADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485262500 566486043 /nfs/dbraw/zinc/48/60/43/566486043.db2.gz QTVBWUKVXCOEFY-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c(Cl)cc1C(=O)[O-] ZINC000485258107 566486145 /nfs/dbraw/zinc/48/61/45/566486145.db2.gz GJAJUMZYFUQDGG-UHFFFAOYSA-N -2 0 392.216 3.207 20 0 GGADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485262020 566486605 /nfs/dbraw/zinc/48/66/05/566486605.db2.gz AMCCYKSCSNZGPX-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)ccc1C(F)(F)F ZINC000558586521 566490025 /nfs/dbraw/zinc/49/00/25/566490025.db2.gz LNBXMYVLLAECAR-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(O)c1 ZINC000538842867 566539952 /nfs/dbraw/zinc/53/99/52/566539952.db2.gz VWEVAILKTCEXRH-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL CCOC(=O)c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1Cl ZINC000603987974 566548057 /nfs/dbraw/zinc/54/80/57/566548057.db2.gz UJXTUWZRMLCVSQ-UHFFFAOYSA-N -2 0 389.838 3.077 20 0 GGADRL Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)c2)n1 ZINC000604305154 566559021 /nfs/dbraw/zinc/55/90/21/566559021.db2.gz DLVIQOHYCZNKAH-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000466289817 566563215 /nfs/dbraw/zinc/56/32/15/566563215.db2.gz RRSBRWDIFPOQAG-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)sc1C(=O)[O-] ZINC000605613000 566615550 /nfs/dbraw/zinc/61/55/50/566615550.db2.gz SEKCTJCPWRMZAW-UHFFFAOYSA-N -2 0 379.463 3.486 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cccs2)c(C(=O)[O-])cc1Br ZINC000560421477 566624231 /nfs/dbraw/zinc/62/42/31/566624231.db2.gz MWAHJKRLOAZYOZ-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)c[nH]1 ZINC000606343677 566628099 /nfs/dbraw/zinc/62/80/99/566628099.db2.gz VBWTYITYWXLLDI-UHFFFAOYSA-N -2 0 380.369 3.010 20 0 GGADRL CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1cc(Br)sc1Cl ZINC000560481437 566630247 /nfs/dbraw/zinc/63/02/47/566630247.db2.gz NJASBRDUCWSMEV-ZCFIWIBFSA-N -2 0 390.708 3.086 20 0 GGADRL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000675285692 566636322 /nfs/dbraw/zinc/63/63/22/566636322.db2.gz WOXXPTQVTXYORO-NSHDSACASA-N -2 0 377.447 3.053 20 0 GGADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000579905248 566649779 /nfs/dbraw/zinc/64/97/79/566649779.db2.gz BLXKEORBEMYSFU-UHFFFAOYSA-N -2 0 378.303 3.047 20 0 GGADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cccc(Cl)c3O)c1)CCCC2 ZINC000607102354 566657254 /nfs/dbraw/zinc/65/72/54/566657254.db2.gz OLHXSGWBSIZPIB-UHFFFAOYSA-N -2 0 381.837 3.423 20 0 GGADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2sccc2C)cc1OC(F)F ZINC000607614106 566676151 /nfs/dbraw/zinc/67/61/51/566676151.db2.gz PZCZYEMIMMNECX-UHFFFAOYSA-N -2 0 393.389 3.166 20 0 GGADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000468798947 566731568 /nfs/dbraw/zinc/73/15/68/566731568.db2.gz CHDDTIRDYQSASI-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc1F ZINC000677234941 566732772 /nfs/dbraw/zinc/73/27/72/566732772.db2.gz UQMKXLPOIXFCOX-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1F ZINC000677234880 566732820 /nfs/dbraw/zinc/73/28/20/566732820.db2.gz RDNRUIAIMIQNPK-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cnn1CC(C)C ZINC000677417682 566745286 /nfs/dbraw/zinc/74/52/86/566745286.db2.gz MSZCPLGIYFIOAL-UHFFFAOYSA-N -2 0 385.873 3.254 20 0 GGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1)C(=O)[O-] ZINC000541803413 566748621 /nfs/dbraw/zinc/74/86/21/566748621.db2.gz AXHAUOCAUPHFKI-NSHDSACASA-N -2 0 376.459 3.360 20 0 GGADRL Cc1cnc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000451073414 566748971 /nfs/dbraw/zinc/74/89/71/566748971.db2.gz ZYBMFAOVPXNBOR-UHFFFAOYSA-N -2 0 384.841 3.330 20 0 GGADRL CC(C)c1ncsc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000451106236 566760189 /nfs/dbraw/zinc/76/01/89/566760189.db2.gz XCNKGYXWGIVGEN-UHFFFAOYSA-N -2 0 390.870 3.184 20 0 GGADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)c1 ZINC000516693222 566779207 /nfs/dbraw/zinc/77/92/07/566779207.db2.gz LIHSLZPEWLANKK-UHFFFAOYSA-N -2 0 391.779 3.369 20 0 GGADRL Cc1oc(S(=O)(=O)[N-][C@H](c2cccc(C)c2)C(F)(F)F)cc1C(=O)[O-] ZINC000581486628 566782256 /nfs/dbraw/zinc/78/22/56/566782256.db2.gz VLGOIDVKGAGTIA-CYBMUJFWSA-N -2 0 377.340 3.177 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cnn1CCC(C)C ZINC000562360643 566785311 /nfs/dbraw/zinc/78/53/11/566785311.db2.gz NIDRCUVKLUAPMD-UHFFFAOYSA-N -2 0 385.511 3.361 20 0 GGADRL Cc1ccc(-c2[n-][nH]c(=NC(=O)c3cc(Br)ccc3[O-])c2C)o1 ZINC000562496806 566795856 /nfs/dbraw/zinc/79/58/56/566795856.db2.gz PJEIFCPXJOXUCO-UHFFFAOYSA-N -2 0 376.210 3.429 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c(Cl)c1 ZINC000489563271 566796836 /nfs/dbraw/zinc/79/68/36/566796836.db2.gz CUEHHCVGRVTBBQ-UHFFFAOYSA-N -2 0 383.838 3.291 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)cc1F ZINC000489757302 566808097 /nfs/dbraw/zinc/80/80/97/566808097.db2.gz UAVBMDKTGGPVLF-UHFFFAOYSA-N -2 0 379.287 3.065 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2csnn2)cc1 ZINC000517158075 566809429 /nfs/dbraw/zinc/80/94/29/566809429.db2.gz DLQGTXBGPXADFD-UHFFFAOYSA-N -2 0 381.460 3.074 20 0 GGADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)cc1 ZINC000542723289 566819943 /nfs/dbraw/zinc/81/99/43/566819943.db2.gz RLTKKQFYNKXQLJ-UHFFFAOYSA-N -2 0 376.217 3.127 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1Cl ZINC000542732055 566821391 /nfs/dbraw/zinc/82/13/91/566821391.db2.gz PISJVFMYSBCDSN-UHFFFAOYSA-N -2 0 390.200 3.191 20 0 GGADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)C[C@@H](C)CC(F)(F)F ZINC000656511100 566906186 /nfs/dbraw/zinc/90/61/86/566906186.db2.gz OIXAMCDKVVCWSQ-QMMMGPOBSA-N -2 0 387.351 3.253 20 0 GGADRL C[C@H](CC(F)(F)F)CS(=O)(=O)[N-]c1c(C(=O)[O-])ccc2cccnc21 ZINC000656510717 566906627 /nfs/dbraw/zinc/90/66/27/566906627.db2.gz UFLARYUXMBGQAO-SECBINFHSA-N -2 0 376.356 3.263 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cnn1CCC(C)C ZINC000491573881 566909835 /nfs/dbraw/zinc/90/98/35/566909835.db2.gz UVXCJBOVZXCTEQ-UHFFFAOYSA-N -2 0 385.511 3.361 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c(C)c1CC(=O)[O-] ZINC000543870382 566920420 /nfs/dbraw/zinc/92/04/20/566920420.db2.gz VPYAJEATFXIDLK-UHFFFAOYSA-N -2 0 383.853 3.399 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cccc1C(F)(F)F ZINC000471137304 566931651 /nfs/dbraw/zinc/93/16/51/566931651.db2.gz RQDUPGKFOVQUHC-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000471134650 566932248 /nfs/dbraw/zinc/93/22/48/566932248.db2.gz XIPOXGQFUITLLR-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000544639459 566976056 /nfs/dbraw/zinc/97/60/56/566976056.db2.gz HPTXBLNWRKJFCD-UHFFFAOYSA-N -2 0 377.752 3.440 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c(Cl)c1 ZINC000471976064 566992265 /nfs/dbraw/zinc/99/22/65/566992265.db2.gz DPYWKINHUCRJNO-UHFFFAOYSA-N -2 0 380.180 3.337 20 0 GGADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)s1 ZINC000545123638 567020269 /nfs/dbraw/zinc/02/02/69/567020269.db2.gz JYPNSZNBXLXOMW-UHFFFAOYSA-N -2 0 390.280 3.247 20 0 GGADRL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000565056109 567034105 /nfs/dbraw/zinc/03/41/05/567034105.db2.gz MOCSLNANFIPVRN-CABZTGNLSA-N -2 0 381.828 3.320 20 0 GGADRL COc1nc2ccc([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cc2s1 ZINC000430975799 567044195 /nfs/dbraw/zinc/04/41/95/567044195.db2.gz CMFURLGSUHNRNN-UHFFFAOYSA-N -2 0 384.460 3.174 20 0 GGADRL C[C@@H]1C[C@@H]1c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1 ZINC000546474709 567131763 /nfs/dbraw/zinc/13/17/63/567131763.db2.gz FKWZHOCOPMKFQZ-SKDRFNHKSA-N -2 0 377.447 3.428 20 0 GGADRL C[C@H]1C[C@H]1c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1 ZINC000546474708 567131811 /nfs/dbraw/zinc/13/18/11/567131811.db2.gz FKWZHOCOPMKFQZ-JOYOIKCWSA-N -2 0 377.447 3.428 20 0 GGADRL C[C@H]1C[C@@H]1c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1 ZINC000546474707 567131895 /nfs/dbraw/zinc/13/18/95/567131895.db2.gz FKWZHOCOPMKFQZ-CABZTGNLSA-N -2 0 377.447 3.428 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cs1 ZINC000614761508 567136784 /nfs/dbraw/zinc/13/67/84/567136784.db2.gz NCENOMJQTFBXPU-UHFFFAOYSA-N -2 0 381.431 3.289 20 0 GGADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1OC ZINC000498015689 567143614 /nfs/dbraw/zinc/14/36/14/567143614.db2.gz MUEQUMBQJBDPCE-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1 ZINC000498011323 567143844 /nfs/dbraw/zinc/14/38/44/567143844.db2.gz HJWCBKGYPVTSNU-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000498033836 567144983 /nfs/dbraw/zinc/14/49/83/567144983.db2.gz WDPOMEKWDYXWNF-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000498028493 567145689 /nfs/dbraw/zinc/14/56/89/567145689.db2.gz AGVLBOUSAOQPQK-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cccc(Br)c1[O-] ZINC000523307123 567149146 /nfs/dbraw/zinc/14/91/46/567149146.db2.gz MQUXDTKRRYRTEH-UHFFFAOYSA-N -2 0 390.262 3.271 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)cs1 ZINC000589149926 567161357 /nfs/dbraw/zinc/16/13/57/567161357.db2.gz RRQPWOJOZDSDNR-UHFFFAOYSA-N -2 0 396.471 3.283 20 0 GGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000523730145 567168780 /nfs/dbraw/zinc/16/87/80/567168780.db2.gz DBEZLJWCSUUORM-UHFFFAOYSA-N -2 0 383.495 3.302 20 0 GGADRL CSc1ccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cc1Cl ZINC000474768337 567197812 /nfs/dbraw/zinc/19/78/12/567197812.db2.gz OSFLIROQXOYORA-UHFFFAOYSA-N -2 0 376.825 3.372 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccc(Cl)cc2)c1 ZINC000547499832 567215284 /nfs/dbraw/zinc/21/52/84/567215284.db2.gz VDJVHXPCQYCQCR-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1c[nH]c2nccc(Cl)c12 ZINC000547557315 567220068 /nfs/dbraw/zinc/22/00/68/567220068.db2.gz LCVXHGFNLMNTJW-UHFFFAOYSA-N -2 0 383.788 3.163 20 0 GGADRL O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000547560023 567220511 /nfs/dbraw/zinc/22/05/11/567220511.db2.gz JGSYSKURMUJAJR-UHFFFAOYSA-N -2 0 377.752 3.440 20 0 GGADRL CC1(C(=O)[O-])CCN(C(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000659781567 567224879 /nfs/dbraw/zinc/22/48/79/567224879.db2.gz HVTLWAJBLYWAIF-UHFFFAOYSA-N -2 0 376.634 3.135 20 0 GGADRL O=C([O-])[C@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547585133 567226051 /nfs/dbraw/zinc/22/60/51/567226051.db2.gz BVCIBDNGGUQJSD-AWEZNQCLSA-N -2 0 392.235 3.107 20 0 GGADRL COc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Br ZINC000547890616 567256708 /nfs/dbraw/zinc/25/67/08/567256708.db2.gz PJDXYZXCAYFADE-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccs1 ZINC000547933264 567265176 /nfs/dbraw/zinc/26/51/76/567265176.db2.gz RBKNUZZCYVGZSJ-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000433808875 567273425 /nfs/dbraw/zinc/27/34/25/567273425.db2.gz RBSCRKQIARMDCM-UHFFFAOYSA-N -2 0 379.459 3.257 20 0 GGADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000548205388 567290149 /nfs/dbraw/zinc/29/01/49/567290149.db2.gz WIHDIOUEGRSVJS-UHFFFAOYSA-N -2 0 378.303 3.047 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2cnn(C(C)C)c2c1 ZINC000591681775 567292269 /nfs/dbraw/zinc/29/22/69/567292269.db2.gz MRICXWAZZSPQKT-UHFFFAOYSA-N -2 0 379.463 3.486 20 0 GGADRL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000592006538 567308061 /nfs/dbraw/zinc/30/80/61/567308061.db2.gz HSDXJZQSAFLCMQ-UHFFFAOYSA-N -2 0 388.854 3.167 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C(F)(F)F)cc1C ZINC000685902333 567309018 /nfs/dbraw/zinc/30/90/18/567309018.db2.gz DNBQUQAAZAZJRC-UHFFFAOYSA-N -2 0 380.369 3.278 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c(OC)c1 ZINC000476256610 567309697 /nfs/dbraw/zinc/30/96/97/567309697.db2.gz ZRPCDTIZGANKDJ-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1-n1cccn1 ZINC000527064950 567311368 /nfs/dbraw/zinc/31/13/68/567311368.db2.gz OGZRHOCJPNAPIC-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000500300706 567312400 /nfs/dbraw/zinc/31/24/00/567312400.db2.gz WBZWNLHIOIBLDB-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000476404632 567321103 /nfs/dbraw/zinc/32/11/03/567321103.db2.gz YMGQKELZTCYVQE-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(Br)cc1C(=O)[O-] ZINC000548527411 567322909 /nfs/dbraw/zinc/32/29/09/567322909.db2.gz BGLBIZVVKJTDKB-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1OC ZINC000568590632 567340202 /nfs/dbraw/zinc/34/02/02/567340202.db2.gz KGSQQCANHQWIHP-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000569163600 567383887 /nfs/dbraw/zinc/38/38/87/567383887.db2.gz KFVQOMITXJDJJF-UHFFFAOYSA-N -2 0 391.779 3.434 20 0 GGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1Cl ZINC000436640257 567440649 /nfs/dbraw/zinc/44/06/49/567440649.db2.gz OJCGBVXHOVCMNL-UHFFFAOYSA-N -2 0 392.216 3.207 20 0 GGADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000436894361 567464389 /nfs/dbraw/zinc/46/43/89/567464389.db2.gz QVNLVBWFYQIYMP-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000570211199 567466035 /nfs/dbraw/zinc/46/60/35/567466035.db2.gz AXMPTGOBOWYFFN-QMMMGPOBSA-N -2 0 376.634 3.135 20 0 GGADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c1 ZINC000436954137 567469897 /nfs/dbraw/zinc/46/98/97/567469897.db2.gz ULVHCWYPLDJKHB-UHFFFAOYSA-N -2 0 383.809 3.056 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1O ZINC000436998272 567473348 /nfs/dbraw/zinc/47/33/48/567473348.db2.gz YJHXDIZHKWMKDX-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C(=O)[O-])cc1C ZINC000478674978 567473793 /nfs/dbraw/zinc/47/37/93/567473793.db2.gz MEXKQAPGPYXTFA-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)s1 ZINC000436994173 567473910 /nfs/dbraw/zinc/47/39/10/567473910.db2.gz KRIFYGYKCJTSQV-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1O ZINC000436993374 567474042 /nfs/dbraw/zinc/47/40/42/567474042.db2.gz BLNAOYQEEPJPPK-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cn1 ZINC000478688828 567475584 /nfs/dbraw/zinc/47/55/84/567475584.db2.gz RDHUOZWHIHMQBB-VIFPVBQESA-N -2 0 383.857 3.451 20 0 GGADRL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cn1 ZINC000478675583 567475736 /nfs/dbraw/zinc/47/57/36/567475736.db2.gz AYSBHQWWZOXUJY-SECBINFHSA-N -2 0 383.857 3.451 20 0 GGADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000570328326 567476059 /nfs/dbraw/zinc/47/60/59/567476059.db2.gz KEPGRLUZBFNKNO-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL CCc1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cn1CC1CC1 ZINC000663255989 567487759 /nfs/dbraw/zinc/48/77/59/567487759.db2.gz PVDAMLIQEZMXFR-UHFFFAOYSA-N -2 0 383.857 3.008 20 0 GGADRL Cc1cc(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(F)(F)F)oc1C(=O)[O-] ZINC000663422583 567506739 /nfs/dbraw/zinc/50/67/39/567506739.db2.gz LTOUARFBKYBGIA-ZDUSSCGKSA-N -2 0 377.340 3.177 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)ccc1F ZINC000479193484 567513374 /nfs/dbraw/zinc/51/33/74/567513374.db2.gz WWZWPUALLXMOLB-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000479201286 567514047 /nfs/dbraw/zinc/51/40/47/567514047.db2.gz DAZUWDZIKGDAIA-UHFFFAOYSA-N -2 0 377.315 3.272 20 0 GGADRL Cc1cccc(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c1C(=O)[O-] ZINC000479241960 567517714 /nfs/dbraw/zinc/51/77/14/567517714.db2.gz JDWDFRRWXHIJBM-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnc(CC(C)C)nc2)cc1C(=O)[O-] ZINC000479252287 567518637 /nfs/dbraw/zinc/51/86/37/567518637.db2.gz JHKFGFCOJFMDCS-UHFFFAOYSA-N -2 0 383.857 3.136 20 0 GGADRL Cc1cc(NS(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC000479259707 567518658 /nfs/dbraw/zinc/51/86/58/567518658.db2.gz YVOJELXJUCRXLF-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479261252 567518669 /nfs/dbraw/zinc/51/86/69/567518669.db2.gz RUOVUKXFKBTSOX-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL Cc1nc2cc(Cl)c(NS(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])cc2s1 ZINC000479268748 567520839 /nfs/dbraw/zinc/52/08/39/567520839.db2.gz IMHJCMJILLQPKR-UHFFFAOYSA-N -2 0 398.849 3.463 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)c(OC)c(Cl)c2)cc1C(=O)[O-] ZINC000504299139 567528339 /nfs/dbraw/zinc/52/83/39/567528339.db2.gz LSYAHYAECKQNHB-UHFFFAOYSA-N -2 0 393.248 3.322 20 0 GGADRL Cc1cccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c1C(=O)[O-] ZINC000479460214 567537829 /nfs/dbraw/zinc/53/78/29/567537829.db2.gz UKKCNCLIBGXQHP-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)c1 ZINC000438717573 567540022 /nfs/dbraw/zinc/54/00/22/567540022.db2.gz BHGFTYHGHIIRBS-UHFFFAOYSA-N -2 0 376.415 3.434 20 0 GGADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1)C(=O)[O-] ZINC000504658556 567542896 /nfs/dbraw/zinc/54/28/96/567542896.db2.gz WVOUWCIKEJUXFG-QMMMGPOBSA-N -2 0 391.392 3.470 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)c(F)c1 ZINC000504666514 567543417 /nfs/dbraw/zinc/54/34/17/567543417.db2.gz VHEKQDHRSWQMIY-JTQLQIEISA-N -2 0 385.438 3.200 20 0 GGADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1)C(=O)[O-] ZINC000504673763 567544172 /nfs/dbraw/zinc/54/41/72/567544172.db2.gz QZBXNXDPHUITAB-MRVPVSSYSA-N -2 0 391.392 3.470 20 0 GGADRL CCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C(=O)[O-])c1 ZINC000438781710 567545539 /nfs/dbraw/zinc/54/55/39/567545539.db2.gz WMXPQWXMACLYFH-UHFFFAOYSA-N -2 0 383.809 3.100 20 0 GGADRL C[C@@H]1[C@H](C)Sc2ccccc2N1S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000438818758 567548644 /nfs/dbraw/zinc/54/86/44/567548644.db2.gz KGVNATKNIMZAOL-MNOVXSKESA-N -2 0 379.459 3.168 20 0 GGADRL C[C@H]1Sc2ccccc2N(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])[C@@H]1C ZINC000438818757 567548901 /nfs/dbraw/zinc/54/89/01/567548901.db2.gz KGVNATKNIMZAOL-GHMZBOCLSA-N -2 0 379.459 3.168 20 0 GGADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000504980583 567555688 /nfs/dbraw/zinc/55/56/88/567555688.db2.gz XNNLLMALNFYPGG-UHFFFAOYSA-N -2 0 379.287 3.065 20 0 GGADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000505127320 567561323 /nfs/dbraw/zinc/56/13/23/567561323.db2.gz BLBIRXQBIIOEKF-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c(C(=O)[O-])c1 ZINC000530541216 567610062 /nfs/dbraw/zinc/61/00/62/567610062.db2.gz MNRHUWNNLSXZIO-UHFFFAOYSA-N -2 0 391.854 3.226 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1OCC1CC1 ZINC000572066078 567611043 /nfs/dbraw/zinc/61/10/43/567611043.db2.gz ARUCUVIOXMWRJJ-UHFFFAOYSA-N -2 0 385.438 3.483 20 0 GGADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000481451083 567677520 /nfs/dbraw/zinc/67/75/20/567677520.db2.gz LPRGKWANSLXTMW-UHFFFAOYSA-N 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ZINC000507902521 567714528 /nfs/dbraw/zinc/71/45/28/567714528.db2.gz ALKUWKBEZUVMCY-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000532630045 567726482 /nfs/dbraw/zinc/72/64/82/567726482.db2.gz JVURZZWYFGHZEN-UHFFFAOYSA-N -3 0 383.809 3.100 20 0 GGADRL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)c2C)o1 ZINC000533229093 567760721 /nfs/dbraw/zinc/76/07/21/567760721.db2.gz NYXHLPZOHGJVPV-UHFFFAOYSA-N -2 0 381.435 3.155 20 0 GGADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(C(=O)[O-])c1 ZINC000462081470 567768692 /nfs/dbraw/zinc/76/86/92/567768692.db2.gz RYLXBCGSUDDLGH-UHFFFAOYSA-N -3 0 383.809 3.154 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1C(F)(F)F ZINC000533625327 567779211 /nfs/dbraw/zinc/77/92/11/567779211.db2.gz CGYBCKPIPKZIRW-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1C(=O)[O-] ZINC000444420062 567805439 /nfs/dbraw/zinc/80/54/39/567805439.db2.gz CEZRXORSTHAORP-UHFFFAOYSA-N -2 0 377.447 3.254 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000444417630 567805525 /nfs/dbraw/zinc/80/55/25/567805525.db2.gz GKHIEWMKCOMWRS-UHFFFAOYSA-N -2 0 377.447 3.200 20 0 GGADRL Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)n[nH]2)c1 ZINC000444419496 567805540 /nfs/dbraw/zinc/80/55/40/567805540.db2.gz OCIXLKXOYCVQAW-UHFFFAOYSA-N -2 0 377.447 3.254 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)n[nH]2)s1 ZINC000444421819 567805749 /nfs/dbraw/zinc/80/57/49/567805749.db2.gz VEPTZYTVJIWYKV-UHFFFAOYSA-N -2 0 381.410 3.085 20 0 GGADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000444421250 567805836 /nfs/dbraw/zinc/80/58/36/567805836.db2.gz GTMLXGNZQRYRGT-UHFFFAOYSA-N -2 0 381.410 3.085 20 0 GGADRL Cc1ccc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])cc1C(=O)[O-] ZINC000444685134 567810874 /nfs/dbraw/zinc/81/08/74/567810874.db2.gz NOKXNYZLVOIWLE-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL Cc1ccc(-n2cc(S(=O)(=O)[N-]c3ccc(C(C)(C)C(=O)[O-])cc3)cn2)cc1 ZINC000078938699 570510172 /nfs/dbraw/zinc/51/01/72/570510172.db2.gz ZCZAVMZFXHHLKM-UHFFFAOYSA-N -2 0 399.472 3.344 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1 ZINC000170617154 570876002 /nfs/dbraw/zinc/87/60/02/570876002.db2.gz ZSPFZFBYICPJJJ-UHFFFAOYSA-N -2 0 378.450 3.323 20 0 GGADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccccc1CC(=O)[O-] ZINC000122161730 596967983 /nfs/dbraw/zinc/96/79/83/596967983.db2.gz QKZKQVKBPTWYAP-UHFFFAOYSA-N -2 0 390.280 3.247 20 0 GGADRL COc1ccc(-c2cc3[n-]c(CS[C@H](C)C(=O)[O-])nc(=O)c3s2)cc1 ZINC000739877225 597070612 /nfs/dbraw/zinc/07/06/12/597070612.db2.gz LMKJXROFRGKOOO-SECBINFHSA-N -2 0 376.459 3.367 20 0 GGADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000819626070 597313489 /nfs/dbraw/zinc/31/34/89/597313489.db2.gz DNTOKQKGRSOGBF-UHFFFAOYSA-N -2 0 377.315 3.272 20 0 GGADRL C[C@H]1C[C@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC(C)(C)C1 ZINC000736757158 599729136 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GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccccc2)o1 ZINC000739490078 599737752 /nfs/dbraw/zinc/73/77/52/599737752.db2.gz ZHGMWEZRWNBWMH-UHFFFAOYSA-N -2 0 386.385 3.031 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OCCc3ccccc3)c2)o1 ZINC000740187141 599738211 /nfs/dbraw/zinc/73/82/11/599738211.db2.gz HKODVPDCKOCQBA-UHFFFAOYSA-N -2 0 387.413 3.400 20 0 GGADRL CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000736286548 599739403 /nfs/dbraw/zinc/73/94/03/599739403.db2.gz RUXZUFUDVSYJTE-UHFFFAOYSA-N -2 0 382.394 3.126 20 0 GGADRL Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738481799 599739834 /nfs/dbraw/zinc/73/98/34/599739834.db2.gz MTPIKULICINRPY-UHFFFAOYSA-N -2 0 391.430 3.028 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccoc3)nn2-c2ccccc2)o1 ZINC000740177092 599739952 /nfs/dbraw/zinc/73/99/52/599739952.db2.gz BGACYESWXBILQA-UHFFFAOYSA-N -2 0 399.384 3.224 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)ccc1Cl ZINC000321272268 599752441 /nfs/dbraw/zinc/75/24/41/599752441.db2.gz HHQGPSZZGIQQRZ-UHFFFAOYSA-N -2 0 392.245 3.202 20 0 GGADRL CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000737351897 599753105 /nfs/dbraw/zinc/75/31/05/599753105.db2.gz IPQGWCDSRINROP-UHFFFAOYSA-N -2 0 386.476 3.021 20 0 GGADRL C[C@H](Oc1cccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1)C(=O)[O-] ZINC000736704567 599800981 /nfs/dbraw/zinc/80/09/81/599800981.db2.gz SGTCBECOWMMRNO-OFSNVTPPSA-N -2 0 380.356 3.056 20 0 GGADRL CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)n1 ZINC000590262827 599801246 /nfs/dbraw/zinc/80/12/46/599801246.db2.gz CAGGPZVRSBDOSL-UHFFFAOYSA-N -2 0 393.446 3.421 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccs2)c(OCC(F)(F)F)c1 ZINC000740155135 599802179 /nfs/dbraw/zinc/80/21/79/599802179.db2.gz MWYBUJKEDHFQEN-UHFFFAOYSA-N -2 0 381.353 3.188 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)sc1Cc1cccc(F)c1 ZINC000738865585 599802246 /nfs/dbraw/zinc/80/22/46/599802246.db2.gz XEULUPJDIITREC-UHFFFAOYSA-N -2 0 396.421 3.273 20 0 GGADRL CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)cc1 ZINC000737005052 599813063 /nfs/dbraw/zinc/81/30/63/599813063.db2.gz ZXYBBBUVHBARDT-UHFFFAOYSA-N -2 0 397.474 3.376 20 0 GGADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(C)C)c(C(=O)[O-])s1 ZINC000737679608 599813975 /nfs/dbraw/zinc/81/39/75/599813975.db2.gz BMJBPJFRHMKBSB-UHFFFAOYSA-N -2 0 383.447 3.157 20 0 GGADRL Cc1cc([C@@H]2NC(=O)N(c3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])ccc1F ZINC000736752177 599849753 /nfs/dbraw/zinc/84/97/53/599849753.db2.gz UYYHPYGLLHLZTG-KRWDZBQOSA-N -2 0 384.363 3.462 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000531489698 599851103 /nfs/dbraw/zinc/85/11/03/599851103.db2.gz OTTGKRIJGLHLGM-UHFFFAOYSA-N -3 0 399.446 3.041 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1OCc1ccccc1 ZINC000591682762 599852194 /nfs/dbraw/zinc/85/21/94/599852194.db2.gz IOBATYUOEWRWHY-UHFFFAOYSA-N -2 0 398.440 3.468 20 0 GGADRL COc1cc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c(C(=O)[O-])cc1OC ZINC000737892317 599858669 /nfs/dbraw/zinc/85/86/69/599858669.db2.gz LJJZHBARZQHJSY-HXUWFJFHSA-N -2 0 393.436 3.402 20 0 GGADRL Cc1ccc(-c2nsc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])n2)s1 ZINC000738495783 599865029 /nfs/dbraw/zinc/86/50/29/599865029.db2.gz YEXSFOICNXZYFW-UHFFFAOYSA-N -2 0 395.487 3.382 20 0 GGADRL Cc1ccc(-c2nsc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])n2)s1 ZINC000738495167 599865209 /nfs/dbraw/zinc/86/52/09/599865209.db2.gz PLYMRABZWUYOBY-UHFFFAOYSA-N -2 0 399.475 3.284 20 0 GGADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000319652592 599873062 /nfs/dbraw/zinc/87/30/62/599873062.db2.gz QGMJFYCZKLOKIJ-UHFFFAOYSA-N -2 0 376.799 3.117 20 0 GGADRL COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000035306419 599873064 /nfs/dbraw/zinc/87/30/64/599873064.db2.gz MRLVDAWNJHHBAB-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000739041930 599885868 /nfs/dbraw/zinc/88/58/68/599885868.db2.gz FEPPALDDAYJHMY-UHFFFAOYSA-N -2 0 391.836 3.240 20 0 GGADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000477404320 599905287 /nfs/dbraw/zinc/90/52/87/599905287.db2.gz XPLRKOFPRIKOEQ-UHFFFAOYSA-N -2 0 379.434 3.291 20 0 GGADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000477423387 599908414 /nfs/dbraw/zinc/90/84/14/599908414.db2.gz XAXLCJXWLKWVCJ-UHFFFAOYSA-N -2 0 379.434 3.290 20 0 GGADRL O=C([O-])COc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000738619385 599924421 /nfs/dbraw/zinc/92/44/21/599924421.db2.gz KEIVYYZVDUACQA-UHFFFAOYSA-N -2 0 393.314 3.109 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(C(=O)[O-])c1 ZINC000738041941 599924468 /nfs/dbraw/zinc/92/44/68/599924468.db2.gz PRMJIJDAFWOWAA-UHFFFAOYSA-N -2 0 393.314 3.352 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000737910268 599926525 /nfs/dbraw/zinc/92/65/25/599926525.db2.gz XHMKQVYZJUGHLW-UHFFFAOYSA-N -2 0 384.460 3.174 20 0 GGADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1 ZINC000726765844 599926598 /nfs/dbraw/zinc/92/65/98/599926598.db2.gz IWFKRUDPZDWXPY-UHFFFAOYSA-N -2 0 395.234 3.429 20 0 GGADRL Cc1noc2ncc(S(=O)(=O)[N-]c3cc4ccccc4cc3C(=O)[O-])cc12 ZINC000726932329 599926616 /nfs/dbraw/zinc/92/66/16/599926616.db2.gz WSLZKPWACPNHSB-UHFFFAOYSA-N -2 0 383.385 3.183 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2ccc(F)c(F)c2)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC000736752228 599944920 /nfs/dbraw/zinc/94/49/20/599944920.db2.gz VPMXZOVWACVURR-INIZCTEOSA-N -2 0 388.326 3.293 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(F)c(F)c2)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC000736752230 599945097 /nfs/dbraw/zinc/94/50/97/599945097.db2.gz VPMXZOVWACVURR-MRXNPFEDSA-N -2 0 388.326 3.293 20 0 GGADRL Cc1cccc(C2(C(=O)[N-]S(=O)(=O)c3ccsc3C(=O)[O-])CCCC2)c1 ZINC000738687106 599953966 /nfs/dbraw/zinc/95/39/66/599953966.db2.gz DQSYOWFFTRVIRG-UHFFFAOYSA-N -2 0 393.486 3.072 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n(-c2ccccc2C)n1 ZINC000738463843 599966978 /nfs/dbraw/zinc/96/69/78/599966978.db2.gz PTRQJKJAABBUPJ-UHFFFAOYSA-N -2 0 385.445 3.297 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n(Cc2ccccc2)n1 ZINC000738464014 599967096 /nfs/dbraw/zinc/96/70/96/599967096.db2.gz VJIQCQPHXDGUBZ-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c1 ZINC000066813731 599974411 /nfs/dbraw/zinc/97/44/11/599974411.db2.gz ZZLGFTJWXWWAKS-UHFFFAOYSA-N -3 0 390.200 3.191 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(O[C@@H](C)C(=O)[O-])c2)NC(=O)N1CCC(C)C ZINC000736751012 599983448 /nfs/dbraw/zinc/98/34/48/599983448.db2.gz NPGZCUPOONDSRO-SUMWQHHRSA-N -2 0 390.436 3.010 20 0 GGADRL CCC1=C(C(=O)[O-])[C@H](c2ccc(F)cc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000736930885 599987678 /nfs/dbraw/zinc/98/76/78/599987678.db2.gz AAFBQYQJVKCOEL-KRWDZBQOSA-N -2 0 396.390 3.425 20 0 GGADRL Cc1cc([C@@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])ccc1F ZINC000736749618 599987852 /nfs/dbraw/zinc/98/78/52/599987852.db2.gz DGFLYQFZPQTGKQ-KRWDZBQOSA-N -2 0 378.400 3.204 20 0 GGADRL CCC1=C(C(=O)[O-])[C@H](c2cc(F)ccc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932464 599988168 /nfs/dbraw/zinc/98/81/68/599988168.db2.gz RNQFGWMIONTKOA-KRWDZBQOSA-N -2 0 396.390 3.425 20 0 GGADRL CCC1=C(C(=O)[O-])[C@@H](c2cccc(F)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736931555 599988385 /nfs/dbraw/zinc/98/83/85/599988385.db2.gz GFYMPUWDILYAQP-QGZVFWFLSA-N -2 0 378.400 3.286 20 0 GGADRL COc1ccc(C)cc1[C@H]1NC(=O)N(CCCCCC(=O)[O-])C(C)=C1C(=O)[O-] ZINC000737975595 599988786 /nfs/dbraw/zinc/98/87/86/599988786.db2.gz KKFDQIFJHWWFMF-GOSISDBHSA-N -2 0 390.436 3.074 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2csc(C(C)(C)C)n2)NC(=O)N1CCCCC(=O)[O-] ZINC000736749435 599988918 /nfs/dbraw/zinc/98/89/18/599988918.db2.gz YOSQERPDINJGAR-CQSZACIVSA-N -2 0 395.481 3.120 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2ccc3ncccc3c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736750013 599989154 /nfs/dbraw/zinc/98/91/54/599989154.db2.gz 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ZINC000826080900 600802364 /nfs/dbraw/zinc/80/23/64/600802364.db2.gz JPUMWSPEQORRGT-UHFFFAOYSA-N -2 0 377.824 3.443 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2COc2ccccc2)cc1C(=O)[O-] ZINC000515656180 600811487 /nfs/dbraw/zinc/81/14/87/600811487.db2.gz NHBWBZYYLPQBKL-UHFFFAOYSA-N -2 0 386.429 3.103 20 0 GGADRL CC(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C(=O)[O-])c1 ZINC000827124894 600813830 /nfs/dbraw/zinc/81/38/30/600813830.db2.gz STOKKNKENBZVIH-UHFFFAOYSA-N -3 0 381.381 3.146 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2ccc(F)cc2)cc1C(=O)[O-] ZINC000485014345 600813872 /nfs/dbraw/zinc/81/38/72/600813872.db2.gz OQDZZOYPJFKLPQ-UHFFFAOYSA-N -2 0 392.383 3.469 20 0 GGADRL COc1ccccc1-c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000521372593 600815953 /nfs/dbraw/zinc/81/59/53/600815953.db2.gz ZVENHAQGVBVTDK-UHFFFAOYSA-N -2 0 386.429 3.200 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3Cl)c2)cc1C(=O)[O-] ZINC000730204137 600816396 /nfs/dbraw/zinc/81/63/96/600816396.db2.gz 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Cc1[nH]c(C([O-])=CS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(C)c1C(=O)[O-] ZINC000832843922 600831709 /nfs/dbraw/zinc/83/17/09/600831709.db2.gz TTZWLALRWWRFDY-UHFFFAOYSA-N -2 0 390.244 3.293 20 0 GGADRL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000738721968 600892480 /nfs/dbraw/zinc/89/24/80/600892480.db2.gz QNLWSPSIRMPBLS-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000506623695 600892621 /nfs/dbraw/zinc/89/26/21/600892621.db2.gz LPOXMBJHERFSMZ-UHFFFAOYSA-N -2 0 379.434 3.290 20 0 GGADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000738605173 600892737 /nfs/dbraw/zinc/89/27/37/600892737.db2.gz QEBBLVNXFNLUQJ-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000736161742 600893312 /nfs/dbraw/zinc/89/33/12/600893312.db2.gz HDUFWSPWOAWLQP-UHFFFAOYSA-N -2 0 382.825 3.106 20 0 GGADRL CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(OC)c1OC ZINC000674334131 600897357 /nfs/dbraw/zinc/89/73/57/600897357.db2.gz JFNDASUHSHZDQU-UHFFFAOYSA-N -2 0 393.461 3.328 20 0 GGADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1OC ZINC000467328014 600898973 /nfs/dbraw/zinc/89/89/73/600898973.db2.gz QNDFSBZRMIUBSK-UHFFFAOYSA-N -2 0 391.445 3.082 20 0 GGADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000736233375 600899491 /nfs/dbraw/zinc/89/94/91/600899491.db2.gz ZHZMWZKQOOQNAA-UHFFFAOYSA-N -3 0 397.836 3.201 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000607030725 600899921 /nfs/dbraw/zinc/89/99/21/600899921.db2.gz ZGKLNTFXQJNVSU-UHFFFAOYSA-N -2 0 391.445 3.110 20 0 GGADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000172605593 600900130 /nfs/dbraw/zinc/90/01/30/600900130.db2.gz VDEFOQVESLNPNM-UHFFFAOYSA-N -2 0 385.445 3.035 20 0 GGADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)C1CCC(c2ccccc2)CC1 ZINC000833347945 600938690 /nfs/dbraw/zinc/93/86/90/600938690.db2.gz JKHYSDCKBKDHAZ-UHFFFAOYSA-N -2 0 393.486 3.225 20 0 GGADRL COc1ccc2nc([N-]S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)sc2c1 ZINC000832510442 600974993 /nfs/dbraw/zinc/97/49/93/600974993.db2.gz MVFGDBQVLYTDLE-UHFFFAOYSA-N -2 0 398.849 3.457 20 0 GGADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)s1 ZINC000832858987 600976968 /nfs/dbraw/zinc/97/69/68/600976968.db2.gz SVIBEPYKELQBRF-UHFFFAOYSA-N -2 0 397.297 3.083 20 0 GGADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cccnc2N2CCCCC2)c1 ZINC000833297691 600979634 /nfs/dbraw/zinc/97/96/34/600979634.db2.gz RTFLQILWKCZXCN-UHFFFAOYSA-N -2 0 395.868 3.224 20 0 GGADRL Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833060440 600979992 /nfs/dbraw/zinc/97/99/92/600979992.db2.gz JYRVFVPNIVSRCK-UHFFFAOYSA-N -2 0 385.873 3.161 20 0 GGADRL CC(C)C[C@@H](CNC(=O)N=c1[n-]nc(SCc2ccccc2)s1)C(=O)[O-] ZINC000424463426 600996020 /nfs/dbraw/zinc/99/60/20/600996020.db2.gz CGDQXXPHUDZHCJ-ZDUSSCGKSA-N -2 0 394.522 3.121 20 0 GGADRL CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000737109299 601048519 /nfs/dbraw/zinc/04/85/19/601048519.db2.gz VCQBMKAEAMKOOW-UHFFFAOYSA-N -2 0 391.445 3.422 20 0 GGADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC000115869657 601049309 /nfs/dbraw/zinc/04/93/09/601049309.db2.gz KEMVANLYBLEPFL-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)s1 ZINC000116332475 601049323 /nfs/dbraw/zinc/04/93/23/601049323.db2.gz ZLUJJVDSMGESPO-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000740143609 601051161 /nfs/dbraw/zinc/05/11/61/601051161.db2.gz HJYKXARZHDTSNY-UHFFFAOYSA-N -2 0 379.287 3.065 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1C(=O)[O-] ZINC000738969013 601051411 /nfs/dbraw/zinc/05/14/11/601051411.db2.gz GJWRPBFXZAHECU-UHFFFAOYSA-N -2 0 379.312 3.136 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1C(=O)[O-] ZINC000738746171 601116870 /nfs/dbraw/zinc/11/68/70/601116870.db2.gz VEBGUBOPLWYDBR-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL C/C(=C\C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000825724877 601141566 /nfs/dbraw/zinc/14/15/66/601141566.db2.gz WPTSTUCZTALAJQ-VQHVLOKHSA-N -2 0 385.850 3.008 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000831945084 601150169 /nfs/dbraw/zinc/15/01/69/601150169.db2.gz FUWXICRKIYWFTO-UHFFFAOYSA-N -2 0 381.353 3.275 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000831945551 601150279 /nfs/dbraw/zinc/15/02/79/601150279.db2.gz KIONFQVQJZFJMH-UHFFFAOYSA-N -2 0 397.261 3.145 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(-n2cccc2)c1 ZINC000831946351 601151381 /nfs/dbraw/zinc/15/13/81/601151381.db2.gz VDOLALLCAXYZHW-UHFFFAOYSA-N -2 0 378.431 3.046 20 0 GGADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000826800650 601186670 /nfs/dbraw/zinc/18/66/70/601186670.db2.gz PTZIBJPNEFOQIG-SNVBAGLBSA-N -2 0 379.638 3.429 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nc2ccc(C)cc2s1 ZINC000831950153 601200866 /nfs/dbraw/zinc/20/08/66/601200866.db2.gz MGQFREFYLZRNNM-UHFFFAOYSA-N -2 0 384.460 3.174 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C)c(C)c2ncccc12 ZINC000831946296 601201061 /nfs/dbraw/zinc/20/10/61/601201061.db2.gz SJDWIPKWAZGUFE-UHFFFAOYSA-N -2 0 392.458 3.421 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nc2c(cccc2C)s1 ZINC000831950434 601201102 /nfs/dbraw/zinc/20/11/02/601201102.db2.gz UDNBNTWYOUMZJB-UHFFFAOYSA-N -2 0 384.460 3.174 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)CC(C)C ZINC000831950376 601201110 /nfs/dbraw/zinc/20/11/10/601201110.db2.gz SACMNFACQPIQEP-JTQLQIEISA-N -2 0 387.483 3.059 20 0 GGADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000833312322 601201315 /nfs/dbraw/zinc/20/13/15/601201315.db2.gz NQNPDPDWKRQBLB-UHFFFAOYSA-N -2 0 385.323 3.081 20 0 GGADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1n[nH]c2cccc(F)c21 ZINC000833347547 601201445 /nfs/dbraw/zinc/20/14/45/601201445.db2.gz KKOSAGRVBYTZOT-UHFFFAOYSA-N -2 0 391.405 3.416 20 0 GGADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1n[nH]c2ccc(F)cc21 ZINC000833347541 601202480 /nfs/dbraw/zinc/20/24/80/601202480.db2.gz KIGWQGJFMQOPIU-UHFFFAOYSA-N -2 0 391.405 3.416 20 0 GGADRL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)cc1 ZINC000828763778 601202498 /nfs/dbraw/zinc/20/24/98/601202498.db2.gz CAMDZZSJGNMOHT-SNVBAGLBSA-N -2 0 385.463 3.433 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000831945380 601203830 /nfs/dbraw/zinc/20/38/30/601203830.db2.gz FYVSHZOGTBPVQL-UHFFFAOYSA-N -2 0 395.462 3.186 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(CCSC)cc1 ZINC000831946677 601204119 /nfs/dbraw/zinc/20/41/19/601204119.db2.gz XIHLACZJKPHXLH-UHFFFAOYSA-N -2 0 387.504 3.161 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC000831944984 601204558 /nfs/dbraw/zinc/20/45/58/601204558.db2.gz CVLJWGGCKOJDMR-UHFFFAOYSA-N -2 0 395.380 3.361 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000831944922 601204644 /nfs/dbraw/zinc/20/46/44/601204644.db2.gz BVGHYOLFRMWVOI-UHFFFAOYSA-N -2 0 395.380 3.361 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccc1OCC1CC1 ZINC000831946312 601205035 /nfs/dbraw/zinc/20/50/35/601205035.db2.gz SVHZEJJICXLLFU-UHFFFAOYSA-N -2 0 383.447 3.045 20 0 GGADRL O=C([O-])[C@@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)Cc1ccc(O)cc1 ZINC000833133204 601210674 /nfs/dbraw/zinc/21/06/74/601210674.db2.gz IITFOOBHUCPQDG-SNVBAGLBSA-N -2 0 384.215 3.078 20 0 GGADRL O=C([O-])CCc1nnc(NC(=O)c2cc(Cl)c3ccccc3c2[O-])s1 ZINC000833241673 601212015 /nfs/dbraw/zinc/21/20/15/601212015.db2.gz KURLGHXWKLALPH-UHFFFAOYSA-N -2 0 377.809 3.320 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)sc1C(=O)[O-] ZINC000833003881 601228239 /nfs/dbraw/zinc/22/82/39/601228239.db2.gz ZRDUVIJGTAWBPS-UHFFFAOYSA-N -2 0 382.463 3.179 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n(-c2cccc(Cl)c2)n1 ZINC000832898244 601229355 /nfs/dbraw/zinc/22/93/55/601229355.db2.gz IYSUTQXLCYOQOY-UHFFFAOYSA-N -2 0 395.824 3.235 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n(-c2ccc(Cl)cc2)n1 ZINC000832898735 601229473 /nfs/dbraw/zinc/22/94/73/601229473.db2.gz RPKRXBQSGYDJNM-UHFFFAOYSA-N -2 0 395.824 3.235 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)cc1C(=O)[O-] ZINC000833029945 601232406 /nfs/dbraw/zinc/23/24/06/601232406.db2.gz OJZSVRDBSDWCEC-UHFFFAOYSA-N -2 0 388.401 3.061 20 0 GGADRL COc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1Cl ZINC000831852236 601232977 /nfs/dbraw/zinc/23/29/77/601232977.db2.gz SLTANHKOSRJGAK-UHFFFAOYSA-N -2 0 380.205 3.402 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2cccc(NC(=O)OCC(C)C)c2)cc1C(=O)[O-] ZINC000833029139 601233355 /nfs/dbraw/zinc/23/33/55/601233355.db2.gz CKEUMNYKAGSGFH-UHFFFAOYSA-N -2 0 396.421 3.292 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cc1C(=O)[O-] ZINC000833030123 601233367 /nfs/dbraw/zinc/23/33/67/601233367.db2.gz RSMPKQYYENRJEK-UHFFFAOYSA-N -2 0 397.459 3.090 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)cc1C(=O)[O-] ZINC000833029623 601234354 /nfs/dbraw/zinc/23/43/54/601234354.db2.gz JGQBROHBUAUEJN-UHFFFAOYSA-N -2 0 397.302 3.167 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)cc1C(=O)[O-] ZINC000833029980 601234463 /nfs/dbraw/zinc/23/44/63/601234463.db2.gz PEFODAAOVFDUOV-VWLOTQADSA-N -2 0 399.490 3.134 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1C(=O)[O-] ZINC000833029360 601234525 /nfs/dbraw/zinc/23/45/25/601234525.db2.gz HAIUOKCVAFYTAE-UHFFFAOYSA-N -2 0 388.401 3.061 20 0 GGADRL COCCCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489585649 601234950 /nfs/dbraw/zinc/23/49/50/601234950.db2.gz MWFJPQFBGJJIHN-UHFFFAOYSA-N -2 0 399.852 3.254 20 0 GGADRL O=C([O-])[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000833185490 601236160 /nfs/dbraw/zinc/23/61/60/601236160.db2.gz XKKHJPYEXUPEOA-IRXDYDNUSA-N -2 0 393.505 3.430 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000531364834 601250702 /nfs/dbraw/zinc/25/07/02/601250702.db2.gz VPNSITCCFPYMOX-UHFFFAOYSA-N -2 0 377.418 3.063 20 0 GGADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)s1 ZINC000755981526 601251572 /nfs/dbraw/zinc/25/15/72/601251572.db2.gz RXXKZDJJAIGYCO-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CSc1n[n-]c(=S)s1 ZINC000827042915 601279500 /nfs/dbraw/zinc/27/95/00/601279500.db2.gz YUQRGCOXYHNQLP-UHFFFAOYSA-N -2 0 385.492 3.043 20 0 GGADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)n1 ZINC000832889178 601284952 /nfs/dbraw/zinc/28/49/52/601284952.db2.gz DWVUHEXCMWLUJY-UHFFFAOYSA-N -2 0 383.379 3.295 20 0 GGADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)n1 ZINC000832889198 601290520 /nfs/dbraw/zinc/29/05/20/601290520.db2.gz FCXUMWNQOHQROM-ZDUSSCGKSA-N -2 0 395.390 3.244 20 0 GGADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000013059698 601318079 /nfs/dbraw/zinc/31/80/79/601318079.db2.gz SCHGZBXHNWCESK-UHFFFAOYSA-N -2 0 383.397 3.122 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000013265563 601318730 /nfs/dbraw/zinc/31/87/30/601318730.db2.gz VAMSJWOBBYJDAL-UHFFFAOYSA-N -2 0 390.442 3.318 20 0 GGADRL Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000832850017 601319292 /nfs/dbraw/zinc/31/92/92/601319292.db2.gz WXDDSGUMKJEVTO-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000013278951 601319762 /nfs/dbraw/zinc/31/97/62/601319762.db2.gz CJYXOYADYPNMLO-UHFFFAOYSA-N -2 0 395.458 3.223 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)ccc1F ZINC000013239949 601320020 /nfs/dbraw/zinc/32/00/20/601320020.db2.gz OJPNIZUVOJMFIA-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832774176 601321194 /nfs/dbraw/zinc/32/11/94/601321194.db2.gz DEVWMJXGQPKWEN-WTKPLQERSA-N -2 0 393.442 3.005 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)c(Cl)cc1Cl ZINC000392155260 601321706 /nfs/dbraw/zinc/32/17/06/601321706.db2.gz FSRIOASSDFFIEJ-UHFFFAOYSA-N -2 0 386.216 3.369 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000046303766 601322768 /nfs/dbraw/zinc/32/27/68/601322768.db2.gz ACADLTHHQVVBFD-UHFFFAOYSA-N -2 0 388.401 3.213 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)c1C ZINC000614842857 601324315 /nfs/dbraw/zinc/32/43/15/601324315.db2.gz ACAXMNXSUZYVNX-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1C ZINC000048382855 601325467 /nfs/dbraw/zinc/32/54/67/601325467.db2.gz MOZUTNPZTQPSQB-UHFFFAOYSA-N -2 0 379.434 3.290 20 0 GGADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000515630271 601325510 /nfs/dbraw/zinc/32/55/10/601325510.db2.gz UYXFQCLIBQYRCP-UHFFFAOYSA-N -2 0 393.461 3.136 20 0 GGADRL CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1 ZINC000057126250 601326618 /nfs/dbraw/zinc/32/66/18/601326618.db2.gz CDCGVJPBPFZNMN-GFCCVEGCSA-N -2 0 379.434 3.372 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000063849244 601326679 /nfs/dbraw/zinc/32/66/79/601326679.db2.gz HNUYLBHWWHMFBH-UHFFFAOYSA-N -2 0 379.434 3.119 20 0 GGADRL COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000060839445 601326727 /nfs/dbraw/zinc/32/67/27/601326727.db2.gz LCIIZOLMZPEBQL-UHFFFAOYSA-N -2 0 395.408 3.235 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000064938219 601327216 /nfs/dbraw/zinc/32/72/16/601327216.db2.gz QGJZOLLJBYSGQQ-UHFFFAOYSA-N -2 0 391.445 3.121 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2cnn(C(C)C)c2c1 ZINC000509537209 601328557 /nfs/dbraw/zinc/32/85/57/601328557.db2.gz JVXXXVBTMPVTBA-UHFFFAOYSA-N -2 0 389.433 3.125 20 0 GGADRL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000068077299 601329204 /nfs/dbraw/zinc/32/92/04/601329204.db2.gz KTVLEGVBDHLJEK-UHFFFAOYSA-N -2 0 376.434 3.069 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000605615271 601330812 /nfs/dbraw/zinc/33/08/12/601330812.db2.gz VVRDSIVYYYHUNP-UHFFFAOYSA-N -2 0 389.433 3.125 20 0 GGADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000078789992 601330951 /nfs/dbraw/zinc/33/09/51/601330951.db2.gz XGJQYWOUKRFPLH-UHFFFAOYSA-N -2 0 385.445 3.297 20 0 GGADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832985711 601331937 /nfs/dbraw/zinc/33/19/37/601331937.db2.gz YXZPOPWQPPUUDL-XFXZXTDPSA-N -2 0 383.429 3.079 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C)c1 ZINC000607616689 601332264 /nfs/dbraw/zinc/33/22/64/601332264.db2.gz JZVCNYJLFOCONS-UHFFFAOYSA-N -2 0 379.434 3.290 20 0 GGADRL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cn1 ZINC000755260222 601334011 /nfs/dbraw/zinc/33/40/11/601334011.db2.gz WUUPXPABHDAZFP-UHFFFAOYSA-N -2 0 378.237 3.099 20 0 GGADRL C[C@H](Oc1cccnc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1 ZINC000827902648 601338955 /nfs/dbraw/zinc/33/89/55/601338955.db2.gz OKJPPQQRECIDCQ-LBPRGKRZSA-N -2 0 387.417 3.049 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)cc1C(=O)[O-] ZINC000833029348 601339502 /nfs/dbraw/zinc/33/95/02/601339502.db2.gz GOAKYZLRSJKDRP-UHFFFAOYSA-N -2 0 389.433 3.163 20 0 GGADRL Cn1cnc2cc([N-]S(=O)(=O)c3c4ccccc4sc3C(=O)[O-])ccc21 ZINC000833058898 601340281 /nfs/dbraw/zinc/34/02/81/601340281.db2.gz ORXDNKVKJICQLB-UHFFFAOYSA-N -2 0 387.442 3.287 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3c(ccc4ccccc34)s2)cc1 ZINC000013059962 601356678 /nfs/dbraw/zinc/35/66/78/601356678.db2.gz YKRPZPBLEAYQFP-UHFFFAOYSA-N -2 0 384.438 3.370 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3c(cc(F)c(F)c3F)s2)cc1 ZINC000833324614 601356686 /nfs/dbraw/zinc/35/66/86/601356686.db2.gz XNXQHLSFOAFVPW-UHFFFAOYSA-N -2 0 388.348 3.213 20 0 GGADRL COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC000035426832 601357518 /nfs/dbraw/zinc/35/75/18/601357518.db2.gz PVBHGJQILXTRGM-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2s1 ZINC000832208678 601358978 /nfs/dbraw/zinc/35/89/78/601358978.db2.gz MFHHVMLAYHMMSE-UHFFFAOYSA-N -2 0 398.849 3.457 20 0 GGADRL O=C([O-])c1cc(-c2csc([N-]S(=O)(=O)/C=C\c3ccc(F)cc3)n2)c[nH]1 ZINC000833295000 601359449 /nfs/dbraw/zinc/35/94/49/601359449.db2.gz VTMRIFWZDJQOQD-WAYWQWQTSA-N -2 0 393.421 3.388 20 0 GGADRL Cn1c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)nc2cc(Cl)ccc21 ZINC000833039599 601360331 /nfs/dbraw/zinc/36/03/31/601360331.db2.gz NITOEEJQSXBEPR-RUDMXATFSA-N -2 0 391.836 3.125 20 0 GGADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])no1 ZINC000827111965 601361874 /nfs/dbraw/zinc/36/18/74/601361874.db2.gz BWKVIOXWCOEBKT-UHFFFAOYSA-N -2 0 378.328 3.316 20 0 GGADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n(C)n1 ZINC000832973998 601361948 /nfs/dbraw/zinc/36/19/48/601361948.db2.gz JCZZAFXRBHIBTL-UHFFFAOYSA-N -2 0 389.408 3.034 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000832868951 601362056 /nfs/dbraw/zinc/36/20/56/601362056.db2.gz WDSAJKGCJNBTBF-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2-c2ccc(Cl)cc2)ccc1F ZINC000833306259 601362109 /nfs/dbraw/zinc/36/21/09/601362109.db2.gz JXNZZOHLICLCPC-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1C ZINC000832468539 601362712 /nfs/dbraw/zinc/36/27/12/601362712.db2.gz IDOYGGLZEPXRGT-UHFFFAOYSA-N -2 0 384.479 3.257 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1F ZINC000832468437 601362800 /nfs/dbraw/zinc/36/28/00/601362800.db2.gz CCHDWRREYUOLOZ-UHFFFAOYSA-N -2 0 388.442 3.087 20 0 GGADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000832266378 601362901 /nfs/dbraw/zinc/36/29/01/601362901.db2.gz ZWIHMJAQYJCZQK-UHFFFAOYSA-N -2 0 391.232 3.204 20 0 GGADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000833345375 601384793 /nfs/dbraw/zinc/38/47/93/601384793.db2.gz WFPLZSFCGCKMNB-UHFFFAOYSA-N -2 0 396.730 3.133 20 0 GGADRL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(F)cc(Cl)c2[O-])cc1OC ZINC000832235410 601386174 /nfs/dbraw/zinc/38/61/74/601386174.db2.gz KCRVMNQIHLLSAA-ZDUSSCGKSA-N -2 0 397.786 3.148 20 0 GGADRL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000833150965 601387262 /nfs/dbraw/zinc/38/72/62/601387262.db2.gz YBMQEBSWIQQRBX-OAHLLOKOSA-N -2 0 376.771 3.092 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C(=O)C(C)(C)C)cc1 ZINC000831946336 601387505 /nfs/dbraw/zinc/38/75/05/601387505.db2.gz UVHGKBWQGVJALO-UHFFFAOYSA-N -2 0 397.474 3.485 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c(F)cc1F ZINC000833306228 601474471 /nfs/dbraw/zinc/47/44/71/601474471.db2.gz HALVRXKWIOMMCY-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2OC(F)F)cc1C(=O)[O-] ZINC000481971537 601474510 /nfs/dbraw/zinc/47/45/10/601474510.db2.gz KUFLOCZEOWQHAF-UHFFFAOYSA-N -2 0 387.360 3.104 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c(F)cc1F ZINC000833303975 601474542 /nfs/dbraw/zinc/47/45/42/601474542.db2.gz BXHWNVGYRUJEIF-UHFFFAOYSA-N -2 0 380.328 3.119 20 0 GGADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000748641991 601474812 /nfs/dbraw/zinc/47/48/12/601474812.db2.gz YOEZZKXJDYVLOQ-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])o1 ZINC000748640683 601475040 /nfs/dbraw/zinc/47/50/40/601475040.db2.gz AJUBLDXNLIFEAS-UHFFFAOYSA-N -2 0 389.385 3.109 20 0 GGADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832973366 601475145 /nfs/dbraw/zinc/47/51/45/601475145.db2.gz YQNSKHWTWWNTPL-YFHOEESVSA-N -2 0 383.372 3.495 20 0 GGADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000832973242 601475453 /nfs/dbraw/zinc/47/54/53/601475453.db2.gz RPVUMOSDRALTCO-UHFFFAOYSA-N -2 0 393.314 3.374 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)c1 ZINC000748644155 601475788 /nfs/dbraw/zinc/47/57/88/601475788.db2.gz FXPYTYYSUIXTHO-UHFFFAOYSA-N -2 0 383.372 3.395 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCC2)c(F)c1 ZINC000481958121 601475797 /nfs/dbraw/zinc/47/57/97/601475797.db2.gz RDCFOSGKUKDOGE-UHFFFAOYSA-N -2 0 395.408 3.265 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1OCCC(C)C ZINC000832950246 601485487 /nfs/dbraw/zinc/48/54/87/601485487.db2.gz HDFXXNDNQKYUAP-UHFFFAOYSA-N -2 0 384.479 3.375 20 0 GGADRL CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)ccc2[nH]1 ZINC000829439866 601485813 /nfs/dbraw/zinc/48/58/13/601485813.db2.gz FNXLOCCZFNINPM-UHFFFAOYSA-N -2 0 379.463 3.466 20 0 GGADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)n[nH]1 ZINC000754826350 601485840 /nfs/dbraw/zinc/48/58/40/601485840.db2.gz HSXNCDBUFDBOEL-UHFFFAOYSA-N -2 0 393.371 3.162 20 0 GGADRL Cc1nc(C)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])s1 ZINC000832996340 601487504 /nfs/dbraw/zinc/48/75/04/601487504.db2.gz ZRXJFPZCSIGXCE-UHFFFAOYSA-N -2 0 380.369 3.278 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)s1 ZINC000833323373 601492782 /nfs/dbraw/zinc/49/27/82/601492782.db2.gz IKTVMWUITYEQKA-UHFFFAOYSA-N -2 0 391.430 3.175 20 0 GGADRL CCCCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)s1 ZINC000829373337 601502207 /nfs/dbraw/zinc/50/22/07/601502207.db2.gz SFNOGXQRFCSNKI-UHFFFAOYSA-N -2 0 383.495 3.387 20 0 GGADRL CCCc1nnc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])s1 ZINC000829574232 601502276 /nfs/dbraw/zinc/50/22/76/601502276.db2.gz UBMHHLDFTGVZPP-UHFFFAOYSA-N -2 0 395.384 3.008 20 0 GGADRL CCCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000829441092 601502282 /nfs/dbraw/zinc/50/22/82/601502282.db2.gz QYAFWAWWDQJCFG-UHFFFAOYSA-N -2 0 375.859 3.033 20 0 GGADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1nnc(C2CC2)s1 ZINC000833347489 601502758 /nfs/dbraw/zinc/50/27/58/601502758.db2.gz HONXDJJYTVXCBI-UHFFFAOYSA-N -2 0 381.460 3.129 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)cc1C(=O)[O-] ZINC000832468475 601503282 /nfs/dbraw/zinc/50/32/82/601503282.db2.gz DTAGYVMUDZPHRM-UHFFFAOYSA-N -2 0 397.478 3.093 20 0 GGADRL CCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)s1 ZINC000829573637 601503449 /nfs/dbraw/zinc/50/34/49/601503449.db2.gz CMYBTTKTLUFTIE-UHFFFAOYSA-N -2 0 396.277 3.296 20 0 GGADRL CC(C)c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)s1 ZINC000827168748 601503491 /nfs/dbraw/zinc/50/34/91/601503491.db2.gz WLGCRYSYHFRLQB-UHFFFAOYSA-N -2 0 396.277 3.467 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)s2)cc1C(=O)[O-] ZINC000832956731 601503714 /nfs/dbraw/zinc/50/37/14/601503714.db2.gz YLJVSVLRWDLYJW-UHFFFAOYSA-N -2 0 395.506 3.468 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)s2)ccc1F ZINC000833306441 601503906 /nfs/dbraw/zinc/50/39/06/601503906.db2.gz SZHOFHLAUQXTDF-UHFFFAOYSA-N -2 0 399.469 3.299 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)c1C(=O)[O-] ZINC000832972962 601503937 /nfs/dbraw/zinc/50/39/37/601503937.db2.gz RPWCVDMANZTNDS-UHFFFAOYSA-N -2 0 381.479 3.393 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)ccc1F ZINC000833306383 601503953 /nfs/dbraw/zinc/50/39/53/601503953.db2.gz PIDWQUQDFGPPEL-UHFFFAOYSA-N -2 0 385.442 3.224 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000832868007 601503972 /nfs/dbraw/zinc/50/39/72/601503972.db2.gz IJPFOUYTKGOCLA-UHFFFAOYSA-N -2 0 381.479 3.393 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)s2)c1 ZINC000833318461 601504007 /nfs/dbraw/zinc/50/40/07/601504007.db2.gz PQTIHIJUOOPYRN-UHFFFAOYSA-N -2 0 399.469 3.299 20 0 GGADRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(OCCC(=O)[O-])cc3)c2n1 ZINC000560415492 601557475 /nfs/dbraw/zinc/55/74/75/601557475.db2.gz IBNLNEMOBHLKLR-UHFFFAOYSA-N -2 0 386.429 3.198 20 0 GGADRL Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)n1 ZINC000441726194 601558615 /nfs/dbraw/zinc/55/86/15/601558615.db2.gz GMVHSXIWYUVJEZ-UHFFFAOYSA-N -2 0 391.430 3.138 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000833027481 601575265 /nfs/dbraw/zinc/57/52/65/601575265.db2.gz UOZBWSLXJVTLJI-UHFFFAOYSA-N -3 0 394.188 3.092 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnc(Br)cc2C)c1C ZINC000832858666 601576720 /nfs/dbraw/zinc/57/67/20/601576720.db2.gz MXPUQKFELCTGNI-UHFFFAOYSA-N -2 0 399.266 3.268 20 0 GGADRL CSc1ccncc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000832790795 601577499 /nfs/dbraw/zinc/57/74/99/601577499.db2.gz ULTXEDPAIUDRMY-UHFFFAOYSA-N -2 0 392.380 3.321 20 0 GGADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000832973562 601604907 /nfs/dbraw/zinc/60/49/07/601604907.db2.gz GTZHNENIDUVDRP-DHZHZOJOSA-N -2 0 383.429 3.284 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)n[nH]2)s1 ZINC000754838222 601605066 /nfs/dbraw/zinc/60/50/66/601605066.db2.gz CTDSDTGINROLBY-UHFFFAOYSA-N -2 0 381.410 3.085 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C=CC(=O)[O-])cc3)n[nH]2)s1 ZINC000832906104 601605443 /nfs/dbraw/zinc/60/54/43/601605443.db2.gz PXEKGCPLPPTUSN-WEVVVXLNSA-N -2 0 389.458 3.345 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])n[nH]2)s1 ZINC000832905525 601605450 /nfs/dbraw/zinc/60/54/50/601605450.db2.gz AUVHZDKNMNDWIK-UHFFFAOYSA-N -2 0 377.447 3.254 20 0 GGADRL Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)n[nH]2)c1 ZINC000832874502 601605451 /nfs/dbraw/zinc/60/54/51/601605451.db2.gz INNTUZBGZIJXPS-UHFFFAOYSA-N -2 0 377.447 3.254 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)s1 ZINC000833323671 601605864 /nfs/dbraw/zinc/60/58/64/601605864.db2.gz YMTWZGVGDSJUFV-UHFFFAOYSA-N -2 0 383.838 3.291 20 0 GGADRL O=C([O-])C[C@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccc(Cl)cc1 ZINC000833264876 601760246 /nfs/dbraw/zinc/76/02/46/601760246.db2.gz JTFFPPZZYRZQAA-HNNXBMFYSA-N -2 0 385.807 3.177 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1nc2c(ccc3ccccc23)s1 ZINC000833346729 601767635 /nfs/dbraw/zinc/76/76/35/601767635.db2.gz UXRJCRGCYPNYGY-UHFFFAOYSA-N -2 0 391.455 3.405 20 0 GGADRL CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3csnc3C(=O)[O-])ccc21 ZINC000826917931 601768940 /nfs/dbraw/zinc/76/89/40/601768940.db2.gz ORUQXNKXPKCPLP-UHFFFAOYSA-N -2 0 379.463 3.253 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1nc2c(ccc3c2CCCC3)s1 ZINC000833346237 601769366 /nfs/dbraw/zinc/76/93/66/601769366.db2.gz LYTFQJLDSRVEQA-UHFFFAOYSA-N -2 0 395.487 3.131 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(-c3ccco3)nc3ccccn32)cs1 ZINC000833303961 601770598 /nfs/dbraw/zinc/77/05/98/601770598.db2.gz ARJXTHMGAPXODH-UHFFFAOYSA-N -2 0 389.414 3.155 20 0 GGADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)n1 ZINC000321190393 601771137 /nfs/dbraw/zinc/77/11/37/601771137.db2.gz SHKVSDOUSJACMF-UHFFFAOYSA-N -2 0 378.834 3.144 20 0 GGADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)n1 ZINC000833230075 601771479 /nfs/dbraw/zinc/77/14/79/601771479.db2.gz WCDCTAHTZJVTHJ-UHFFFAOYSA-N -2 0 378.475 3.279 20 0 GGADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000321370138 601771840 /nfs/dbraw/zinc/77/18/40/601771840.db2.gz ZHUHHKMZQKAECS-UHFFFAOYSA-N -2 0 378.834 3.144 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)ccc1OC(C)C ZINC000832904467 601772626 /nfs/dbraw/zinc/77/26/26/601772626.db2.gz OUUHNJXYOWOREZ-UHFFFAOYSA-N -2 0 398.506 3.447 20 0 GGADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1C(=O)[O-] ZINC000831435446 601783298 /nfs/dbraw/zinc/78/32/98/601783298.db2.gz XHDLDBSMJSNSIU-UHFFFAOYSA-N -2 0 385.397 3.125 20 0 GGADRL Cn1cc([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1C(=O)[O-] ZINC000833051294 601784903 /nfs/dbraw/zinc/78/49/03/601784903.db2.gz SCRLJCWKBVFHTH-UHFFFAOYSA-N -2 0 382.747 3.196 20 0 GGADRL CC(C)n1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000440295604 601794804 /nfs/dbraw/zinc/79/48/04/601794804.db2.gz NFRZHFGDNHNRMP-UHFFFAOYSA-N -2 0 386.433 3.025 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnccc2-c2cccc(F)c2)s1 ZINC000833324162 601795783 /nfs/dbraw/zinc/79/57/83/601795783.db2.gz JEPJUQJLZBESQO-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)ccc1Cl ZINC000012649011 601826375 /nfs/dbraw/zinc/82/63/75/601826375.db2.gz RJGCRPPFXAAZOS-UHFFFAOYSA-N -2 0 389.820 3.296 20 0 GGADRL Cc1cc(C)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000726155543 601828500 /nfs/dbraw/zinc/82/85/00/601828500.db2.gz SKKJDBJTEJWVIQ-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(Oc2ccccc2)c1 ZINC000833345972 601830953 /nfs/dbraw/zinc/83/09/53/601830953.db2.gz IKNCHZWFBFMTCK-UHFFFAOYSA-N -2 0 376.415 3.434 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c(F)cc1F ZINC000832904421 601831291 /nfs/dbraw/zinc/83/12/91/601831291.db2.gz MQGHJUAGRLCLRQ-UHFFFAOYSA-N -2 0 385.388 3.318 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccccc1SCC(F)(F)F ZINC000833345990 601832651 /nfs/dbraw/zinc/83/26/51/601832651.db2.gz IWXYOAULLJZNJM-UHFFFAOYSA-N -2 0 398.409 3.297 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c(Cl)cc1F ZINC000069147799 601832760 /nfs/dbraw/zinc/83/27/60/601832760.db2.gz HYYFGNIMASKBKS-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1F ZINC000063877679 601835162 /nfs/dbraw/zinc/83/51/62/601835162.db2.gz HPZYKEOKOCZBJL-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751147081 601835351 /nfs/dbraw/zinc/83/53/51/601835351.db2.gz XRDVGECAUDUCGC-UHFFFAOYSA-N -2 0 375.324 3.002 20 0 GGADRL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])cn2)cc1 ZINC000832953413 601835759 /nfs/dbraw/zinc/83/57/59/601835759.db2.gz LKESGCOWGCUILN-UHFFFAOYSA-N -2 0 391.430 3.138 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccccc1COc1ccccc1 ZINC000833346763 601837021 /nfs/dbraw/zinc/83/70/21/601837021.db2.gz VJPRSYFVVDVQKJ-UHFFFAOYSA-N -2 0 390.442 3.221 20 0 GGADRL CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000827134326 601837394 /nfs/dbraw/zinc/83/73/94/601837394.db2.gz RHVHDZJDFGIPJT-UHFFFAOYSA-N -2 0 399.371 3.285 20 0 GGADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000830063691 601837901 /nfs/dbraw/zinc/83/79/01/601837901.db2.gz IEOZJXVVVZMYQL-UHFFFAOYSA-N -2 0 396.368 3.060 20 0 GGADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000833345231 601839193 /nfs/dbraw/zinc/83/91/93/601839193.db2.gz SZPINKDOHCOTHH-UHFFFAOYSA-N -2 0 396.852 3.161 20 0 GGADRL CSCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000832766981 601839867 /nfs/dbraw/zinc/83/98/67/601839867.db2.gz WYJRKRFZMHPLHY-UHFFFAOYSA-N -2 0 386.882 3.140 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2N2CCCCC2)ccc1Cl ZINC000833306345 601844149 /nfs/dbraw/zinc/84/41/49/601844149.db2.gz VANZGEIIVIMHHQ-UHFFFAOYSA-N -2 0 395.868 3.224 20 0 GGADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n(C)n1 ZINC000832974460 601847966 /nfs/dbraw/zinc/84/79/66/601847966.db2.gz NDPZVTRXMFWYKY-UHFFFAOYSA-N -2 0 389.408 3.034 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccn([C@H](C)c2ccccc2)n1 ZINC000675285368 601854918 /nfs/dbraw/zinc/85/49/18/601854918.db2.gz QQFCBWYDVVRTJH-CQSZACIVSA-N -2 0 385.445 3.300 20 0 GGADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)c1 ZINC000833297920 601854991 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1406061078 /nfs/dbraw/zinc/06/10/78/1406061078.db2.gz FGWXKWAOTPBHAZ-UHFFFAOYSA-N -2 0 385.323 3.081 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)(C)C)sc1C(=O)[O-] ZINC000057121715 1407525421 /nfs/dbraw/zinc/52/54/21/1407525421.db2.gz YCJVAWJUSPPSPD-UHFFFAOYSA-N -2 0 396.490 3.084 20 0 GGADRL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)cc1 ZINC000057123624 1407527061 /nfs/dbraw/zinc/52/70/61/1407527061.db2.gz QCWBQMIYRLZKEY-ZDUSSCGKSA-N -2 0 393.461 3.300 20 0 GGADRL CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c1 ZINC000057126179 1407529369 /nfs/dbraw/zinc/52/93/69/1407529369.db2.gz WHMGFNHWMDICAK-ZDUSSCGKSA-N -2 0 393.461 3.300 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(OC)cc1OC ZINC000058518771 1407840271 /nfs/dbraw/zinc/84/02/71/1407840271.db2.gz FSVPWDKURDXYKU-UHFFFAOYSA-N -2 0 399.852 3.419 20 0 GGADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1 ZINC000060353736 1407958494 /nfs/dbraw/zinc/95/84/94/1407958494.db2.gz YJFWXZNLXLWJCZ-UHFFFAOYSA-N -2 0 397.424 3.187 20 0 GGADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])c1 ZINC000060360591 1407960178 /nfs/dbraw/zinc/96/01/78/1407960178.db2.gz IOQWFHPXDWTRIZ-UHFFFAOYSA-N -2 0 397.836 3.242 20 0 GGADRL CCCc1ccc(S(=O)(=O)[N-]c2c(OC)cc(OC)cc2C(=O)[O-])cc1 ZINC000060362405 1407960949 /nfs/dbraw/zinc/96/09/49/1407960949.db2.gz BOLWDVPJUACGKN-UHFFFAOYSA-N -2 0 379.434 3.155 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)ccc1F ZINC000061117832 1408078615 /nfs/dbraw/zinc/07/86/15/1408078615.db2.gz DRYGBGAEDHPCEC-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000063476357 1408360928 /nfs/dbraw/zinc/36/09/28/1408360928.db2.gz XLHGDSRGNAYOGN-UHFFFAOYSA-N -2 0 399.852 3.230 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)c2n[nH]cc21 ZINC000063635195 1408384851 /nfs/dbraw/zinc/38/48/51/1408384851.db2.gz TYGHALIOYHHDPQ-UHFFFAOYSA-N -2 0 385.445 3.249 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000176510320 1428344545 /nfs/dbraw/zinc/34/45/45/1428344545.db2.gz FWAUSDWBQJRDDN-UHFFFAOYSA-N -2 0 375.233 3.450 20 0 GGADRL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1 ZINC000066813743 1408920099 /nfs/dbraw/zinc/92/00/99/1408920099.db2.gz SDFJLEJRDFUFND-UHFFFAOYSA-N -2 0 386.216 3.369 20 0 GGADRL COc1cc(/C=C/C(=O)c2cccc(O[C@H](C)C(=O)[O-])c2)cc([N+](=O)[O-])c1[O-] ZINC000068726460 1409480357 /nfs/dbraw/zinc/48/03/57/1409480357.db2.gz DVLYXHCCAYBLKH-XUIVZRPNSA-N -2 0 387.344 3.057 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(C(=O)[O-])c1 ZINC000110392560 1411848299 /nfs/dbraw/zinc/84/82/99/1411848299.db2.gz CGUVKYLMBHRUMW-UHFFFAOYSA-N -2 0 379.434 3.326 20 0 GGADRL O=C(CSc1ccc(-c2nn[n-]n2)cc1Cl)Nc1nc2c(s1)CCC2 ZINC000826421166 1429110844 /nfs/dbraw/zinc/11/08/44/1429110844.db2.gz UWBPAECAGQHTMI-UHFFFAOYSA-N -2 0 392.897 3.196 20 0 GGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1C(=O)[O-] ZINC000132755127 1416811525 /nfs/dbraw/zinc/81/15/25/1416811525.db2.gz IFDNMXZLVPEVBA-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1n[nH]c(-c2ccc(C)o2)c1C ZINC000135405881 1417216097 /nfs/dbraw/zinc/21/60/97/1417216097.db2.gz CYHHNSZZKPUOQL-UHFFFAOYSA-N -2 0 389.433 3.348 20 0 GGADRL Cc1ccc(-c2csc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)n2)cc1 ZINC000151490418 1418001184 /nfs/dbraw/zinc/00/11/84/1418001184.db2.gz HDKRROCBOIEJBQ-UHFFFAOYSA-N -2 0 393.428 3.016 20 0 GGADRL Cc1cc(C(=O)N(Cc2ccccc2)c2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151513345 1418009967 /nfs/dbraw/zinc/00/99/67/1418009967.db2.gz QFXNGBCGLMKSLL-UHFFFAOYSA-N -2 0 386.411 3.179 20 0 GGADRL Cc1cc(C(=O)N(Cc2ccsc2)c2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151720418 1418071056 /nfs/dbraw/zinc/07/10/56/1418071056.db2.gz KWBAKXNZXJNVMM-UHFFFAOYSA-N -2 0 392.440 3.241 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c(Cl)cc1F ZINC000179544729 1429421767 /nfs/dbraw/zinc/42/17/67/1429421767.db2.gz WCARAFRJWQKNFZ-UHFFFAOYSA-N -2 0 398.721 3.392 20 0 GGADRL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nc(CC(C)(C)C)cs1 ZINC000826280282 1429537637 /nfs/dbraw/zinc/53/76/37/1429537637.db2.gz VXTRUYUHVNVMSZ-UHFFFAOYSA-N -2 0 392.510 3.021 20 0 GGADRL Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000152692335 1422212250 /nfs/dbraw/zinc/21/22/50/1422212250.db2.gz GYZWYEJZALXYKL-UHFFFAOYSA-N -2 0 391.474 3.358 20 0 GGADRL Cc1csc(-c2ccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)cc2)n1 ZINC000155612199 1423444970 /nfs/dbraw/zinc/44/49/70/1423444970.db2.gz HQFZMCGHYDDOMU-UHFFFAOYSA-N -2 0 393.428 3.016 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c1Cl ZINC000156284543 1423757829 /nfs/dbraw/zinc/75/78/29/1423757829.db2.gz CMMMTXXRTYFRCL-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000156323912 1423778711 /nfs/dbraw/zinc/77/87/11/1423778711.db2.gz VTHSRXWVEOGCIX-UHFFFAOYSA-N -2 0 379.825 3.332 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)c1Cl ZINC000156363879 1423799394 /nfs/dbraw/zinc/79/93/94/1423799394.db2.gz BNVMCAKXUVIADZ-UHFFFAOYSA-N -2 0 385.873 3.390 20 0 GGADRL O=C([O-])[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)[O-] ZINC000156530775 1423823724 /nfs/dbraw/zinc/82/37/24/1423823724.db2.gz CMQYHPKIFARILQ-MSOLQXFVSA-N -2 0 395.411 3.043 20 0 GGADRL O=C([N-]c1nnc(C2CCCCC2)s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823383064 1424208426 /nfs/dbraw/zinc/20/84/26/1424208426.db2.gz KTBCBSNMBMVRGD-UHFFFAOYSA-N -2 0 391.407 3.296 20 0 GGADRL O=C(Nc1cc(-c2nnn[n-]2)ccc1O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000826451091 1424236393 /nfs/dbraw/zinc/23/63/93/1424236393.db2.gz PZORRYZPFVDLTI-UHFFFAOYSA-N -2 0 389.337 3.261 20 0 GGADRL O=S(=O)(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000103059385 1424454768 /nfs/dbraw/zinc/45/47/68/1424454768.db2.gz CIIOOODJMCFXCA-UHFFFAOYSA-N -2 0 377.429 3.335 20 0 GGADRL Nc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1Cl ZINC000159997774 1424560500 /nfs/dbraw/zinc/56/05/00/1424560500.db2.gz ZZLNZVSJQWPJAS-UHFFFAOYSA-N -2 0 397.186 3.353 20 0 GGADRL O=S(=O)([N-]c1cc(Cl)ccc1-c1nn[n-]n1)c1cccc(Cl)c1F ZINC000826492600 1425233832 /nfs/dbraw/zinc/23/38/32/1425233832.db2.gz TVITWLPNLUVQQI-UHFFFAOYSA-N -2 0 388.211 3.113 20 0 GGADRL O=C([N-]c1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1)[C@H]1CC12CCC2 ZINC000823383745 1425384828 /nfs/dbraw/zinc/38/48/28/1425384828.db2.gz ZAIUFXLOEHXIBK-GFCCVEGCSA-N -2 0 399.505 3.139 20 0 GGADRL CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735904340 1425548101 /nfs/dbraw/zinc/54/81/01/1425548101.db2.gz MCLQXQBGUAYBCM-UHFFFAOYSA-N -2 0 393.856 3.108 20 0 GGADRL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC000737956070 1425570571 /nfs/dbraw/zinc/57/05/71/1425570571.db2.gz UEARMFIQVPHUQN-UHFFFAOYSA-N -2 0 397.851 3.220 20 0 GGADRL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)c3ccc(Cl)nc3Cl)ccc12 ZINC000171658118 1425777784 /nfs/dbraw/zinc/77/77/84/1425777784.db2.gz KORIPHYMWRJNPE-UHFFFAOYSA-N -2 0 386.216 3.369 20 0 GGADRL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000826278724 1426231329 /nfs/dbraw/zinc/23/13/29/1426231329.db2.gz PNYJNIQTXNMKNC-UHFFFAOYSA-N -2 0 377.495 3.335 20 0 GGADRL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Nc1ccccc1CC(F)(F)F ZINC000737226055 1426599014 /nfs/dbraw/zinc/59/90/14/1426599014.db2.gz ZUBXLYCSCOROTP-UHFFFAOYSA-N -2 0 397.382 3.081 20 0 GGADRL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ccc(-c2nn[n-]n2)cn1 ZINC000826450517 1427038248 /nfs/dbraw/zinc/03/82/48/1427038248.db2.gz PRFLWEHRLMCGMJ-UHFFFAOYSA-N -2 0 385.598 3.180 20 0 GGADRL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000737852231 1427053396 /nfs/dbraw/zinc/05/33/96/1427053396.db2.gz FKQKJJDYQLWMLB-UHFFFAOYSA-N -2 0 395.423 3.096 20 0 GGADRL Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000822267480 1427463745 /nfs/dbraw/zinc/46/37/45/1427463745.db2.gz WFVWZSQKWLBYQO-UHFFFAOYSA-N -2 0 387.465 3.072 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c(Cl)cc1F ZINC000822211652 1427702872 /nfs/dbraw/zinc/70/28/72/1427702872.db2.gz JBNDHJZLPVSITB-UHFFFAOYSA-N -2 0 381.820 3.077 20 0 GGADRL O=C(CCn1ccc2cc(Cl)ccc21)Nc1cc(-c2nnn[n-]2)ccc1O ZINC000826409744 1427707734 /nfs/dbraw/zinc/70/77/34/1427707734.db2.gz NJWVPLBWWDEIHT-UHFFFAOYSA-N -2 0 382.811 3.209 20 0 GGADRL O=C([O-])CC1(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCCCC1 ZINC000823387511 1427735105 /nfs/dbraw/zinc/73/51/05/1427735105.db2.gz NJEVIVRZJKLRRQ-UHFFFAOYSA-N -2 0 377.832 3.274 20 0 GGADRL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000826451472 1427826352 /nfs/dbraw/zinc/82/63/52/1427826352.db2.gz IETQHJFKNXDUHK-UHFFFAOYSA-N -2 0 394.616 3.241 20 0 GGADRL CSCc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826228948 1427915641 /nfs/dbraw/zinc/91/56/41/1427915641.db2.gz HWRBFXLLUQNGKX-UHFFFAOYSA-N -2 0 395.897 3.184 20 0 GGADRL C[C@@H](NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314002 1428065918 /nfs/dbraw/zinc/06/59/18/1428065918.db2.gz GLFDOZWRIWGOIG-ZUOKHONESA-N -2 0 385.468 3.105 20 0 GGADRL CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736699942 1428109256 /nfs/dbraw/zinc/10/92/56/1428109256.db2.gz QEWCZCCFYCXDCB-UHFFFAOYSA-N -2 0 391.884 3.446 20 0 GGADRL Cc1cc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000184612119 1430919220 /nfs/dbraw/zinc/91/92/20/1430919220.db2.gz QLQPNHGNBAFUTG-UHFFFAOYSA-N -2 0 398.728 3.257 20 0 GGADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000184656232 1430932057 /nfs/dbraw/zinc/93/20/57/1430932057.db2.gz HCMCWXKCOBEWFZ-CYBMUJFWSA-N -2 0 393.509 3.220 20 0 GGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1)C(=O)[O-] ZINC000185293528 1431101756 /nfs/dbraw/zinc/10/17/56/1431101756.db2.gz YBGCJLYQFBYOMS-NSHDSACASA-N -2 0 376.409 3.371 20 0 GGADRL O=C([N-]NC(=O)c1cc(F)c(F)c([O-])c1F)c1c(Cl)cccc1Cl ZINC000185797541 1431238254 /nfs/dbraw/zinc/23/82/54/1431238254.db2.gz DQRZSHYPHNRKFB-UHFFFAOYSA-N -2 0 379.121 3.191 20 0 GGADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cn1 ZINC000187724714 1431804118 /nfs/dbraw/zinc/80/41/18/1431804118.db2.gz ZUDSALMEGPILRA-LBPRGKRZSA-N -2 0 389.477 3.232 20 0 GGADRL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)cn1 ZINC000187724732 1431804165 /nfs/dbraw/zinc/80/41/65/1431804165.db2.gz ZUDSALMEGPILRA-GFCCVEGCSA-N -2 0 389.477 3.232 20 0 GGADRL O=C(NN=c1cnc2ccccc2[nH]1)c1cc(Br)ncc1Cl ZINC000189001208 1432025106 /nfs/dbraw/zinc/02/51/06/1432025106.db2.gz WHMLUUWHTGRTBA-UHFFFAOYSA-N -2 0 378.617 3.198 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2cccnc2-c2ccc(C)s2)cc1C(=O)[O-] ZINC000189747483 1432223157 /nfs/dbraw/zinc/22/31/57/1432223157.db2.gz JNWRTRACJWXYTO-UHFFFAOYSA-N -2 0 391.474 3.439 20 0 GGADRL Cn1ccc2cccc([N-]S(=O)(=O)c3cc(Cl)c(F)c(C(=O)[O-])c3)c21 ZINC000190848427 1432506380 /nfs/dbraw/zinc/50/63/80/1432506380.db2.gz WKYUIBQXDAXHNR-UHFFFAOYSA-N -2 0 382.800 3.470 20 0 GGADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000193496574 1433009324 /nfs/dbraw/zinc/00/93/24/1433009324.db2.gz GMDAWYJGKHQROP-UHFFFAOYSA-N -2 0 380.853 3.421 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cnn1C1CCCC1 ZINC000194228268 1433143591 /nfs/dbraw/zinc/14/35/91/1433143591.db2.gz LQZXVCPJUGJIOF-UHFFFAOYSA-N -2 0 377.466 3.422 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cnn1C1CCCC1 ZINC000194230463 1433144602 /nfs/dbraw/zinc/14/46/02/1433144602.db2.gz XFUUEZLOTCFQNI-UHFFFAOYSA-N -2 0 377.466 3.422 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(Br)c(C)c1 ZINC000228524294 1433371502 /nfs/dbraw/zinc/37/15/02/1433371502.db2.gz VMNKFSPHYKOMBY-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)n2)cc1 ZINC000263197729 1433993707 /nfs/dbraw/zinc/99/37/07/1433993707.db2.gz UPFMRTFFUBFDPF-OAHLLOKOSA-N -2 0 385.464 3.418 20 0 GGADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1C ZINC000269307725 1434621035 /nfs/dbraw/zinc/62/10/35/1434621035.db2.gz USQCBPIQGXTBGX-UHFFFAOYSA-N -2 0 391.371 3.038 20 0 GGADRL Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1-c1nn[n-]n1 ZINC000826299645 1441456739 /nfs/dbraw/zinc/45/67/39/1441456739.db2.gz ODDUDGZMAPVSPI-UHFFFAOYSA-N -2 0 384.248 3.283 20 0 GGADRL O=S(=O)([N-]c1cccc(CCC(F)(F)F)c1)c1ccccc1-c1nn[n-]n1 ZINC000823589130 1441496269 /nfs/dbraw/zinc/49/62/69/1441496269.db2.gz OPAYGFJZHWOIRR-UHFFFAOYSA-N -2 0 397.382 3.162 20 0 GGADRL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000826493130 1441502770 /nfs/dbraw/zinc/50/27/70/1441502770.db2.gz VBJAVKMYWQEVEM-UHFFFAOYSA-N -2 0 389.440 3.239 20 0 GGADRL O=C(Cc1ccc(F)cc1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826423026 1441507621 /nfs/dbraw/zinc/50/76/21/1441507621.db2.gz VWJWYJPHPFOFBE-UHFFFAOYSA-N -2 0 380.408 3.311 20 0 GGADRL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC000826255942 1441970184 /nfs/dbraw/zinc/97/01/84/1441970184.db2.gz PGXVMJFVPNIHBT-UHFFFAOYSA-N -2 0 392.444 3.038 20 0 GGADRL CC(C)c1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820196801 1441974298 /nfs/dbraw/zinc/97/42/98/1441974298.db2.gz CTPJTTKZBROCRZ-UHFFFAOYSA-N -2 0 379.392 3.069 20 0 GGADRL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccccc1-c1ccccc1 ZINC000823583125 1442073342 /nfs/dbraw/zinc/07/33/42/1442073342.db2.gz HWYBVINWCUZISG-UHFFFAOYSA-N -2 0 393.428 3.040 20 0 GGADRL CCN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380087 1442183519 /nfs/dbraw/zinc/18/35/19/1442183519.db2.gz ODRWSUAWAXFSOX-SECBINFHSA-N -2 0 391.353 3.213 20 0 GGADRL Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826322819 1442277895 /nfs/dbraw/zinc/27/78/95/1442277895.db2.gz CQCSOEKZBCAYEH-UHFFFAOYSA-N -2 0 398.473 3.099 20 0 GGADRL O=S(=O)([N-]c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc(F)ccc1Cl ZINC000738345910 1443210866 /nfs/dbraw/zinc/21/08/66/1443210866.db2.gz RCZFZEAQFROYGW-UHFFFAOYSA-N -2 0 388.211 3.113 20 0 GGADRL COc1ccc2cc([C@H](C)C(=O)Nc3cc(-c4nnn[n-]4)ccc3O)ccc2c1 ZINC000821854147 1443281632 /nfs/dbraw/zinc/28/16/32/1443281632.db2.gz GPOMOAXUZUYTRZ-LBPRGKRZSA-N -2 0 389.415 3.476 20 0 GGADRL Cc1cc(C)cc(-c2nnc([N-]C(=O)c3sccc3-c3nn[n-]n3)s2)c1 ZINC000737251192 1443295882 /nfs/dbraw/zinc/29/58/82/1443295882.db2.gz BUHGOWUYLVEWEW-UHFFFAOYSA-N -2 0 383.462 3.316 20 0 GGADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000826263811 1443394602 /nfs/dbraw/zinc/39/46/02/1443394602.db2.gz ROHHJLIUOBNVGN-UHFFFAOYSA-N -2 0 377.857 3.246 20 0 GGADRL O=C(Nc1cc(-c2nnn[n-]2)ccc1O)c1csc(-c2ccc(F)cc2)n1 ZINC000823294505 1443533202 /nfs/dbraw/zinc/53/32/02/1443533202.db2.gz DHSDBFHBMXXJKZ-UHFFFAOYSA-N -2 0 382.380 3.087 20 0 GGADRL O=C(NCCCC1CC1)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000738055355 1443611899 /nfs/dbraw/zinc/61/18/99/1443611899.db2.gz LRVANJFIPUGUMU-UHFFFAOYSA-N -2 0 383.481 3.226 20 0 GGADRL C[C@H](NC(=O)Nc1nc(C(F)(F)F)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380165 1443890846 /nfs/dbraw/zinc/89/08/46/1443890846.db2.gz MHNQKHFMKKLFSA-ZETCQYMHSA-N -2 0 383.359 3.225 20 0 GGADRL Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000826358318 1443928957 /nfs/dbraw/zinc/92/89/57/1443928957.db2.gz OUPDYKDTSPGMGS-UHFFFAOYSA-N -2 0 387.614 3.123 20 0 GGADRL CCSc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000825673790 1444033893 /nfs/dbraw/zinc/03/38/93/1444033893.db2.gz CCQRUYKEFNOCMS-UHFFFAOYSA-N -2 0 375.479 3.088 20 0 GGADRL Cc1ccc(-c2nsc([N-]C(=O)c3cc(-c4nn[n-]n4)cs3)n2)s1 ZINC000822224051 1446269186 /nfs/dbraw/zinc/26/91/86/1446269186.db2.gz UKVIIXJKPJTGKG-UHFFFAOYSA-N -2 0 375.464 3.069 20 0 GGADRL O=C(CCc1cccc(OC2CCCC2)c1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822982179 1446563307 /nfs/dbraw/zinc/56/33/07/1446563307.db2.gz AYMMIQWYKXUMPS-UHFFFAOYSA-N -2 0 384.465 3.216 20 0 GGADRL O=C(Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1ccc(F)cc1[O-] ZINC000826459871 1446638741 /nfs/dbraw/zinc/63/87/41/1446638741.db2.gz COIYKOGSRZBSBQ-UHFFFAOYSA-N -2 0 396.407 3.011 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)o1 ZINC000826293066 1446797894 /nfs/dbraw/zinc/79/78/94/1446797894.db2.gz ZGKQCTBZWSSYIV-UHFFFAOYSA-N -2 0 397.416 3.361 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)cccc1-c1nn[n-]n1 ZINC000826243029 1446803662 /nfs/dbraw/zinc/80/36/62/1446803662.db2.gz QWJBSFOJBNPXRI-UHFFFAOYSA-N -2 0 377.495 3.335 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1-c1nn[n-]n1 ZINC000826303957 1446818803 /nfs/dbraw/zinc/81/88/03/1446818803.db2.gz OFJAOTDAYHAGDT-UHFFFAOYSA-N -2 0 397.382 3.081 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cccc1-c1nn[n-]n1 ZINC000822130312 1447183460 /nfs/dbraw/zinc/18/34/60/1447183460.db2.gz SSGMXQGUKYZXEX-UHFFFAOYSA-N -2 0 384.248 3.283 20 0 GGADRL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]c1nc(-c2ccsc2)ns1 ZINC000737801242 1449132465 /nfs/dbraw/zinc/13/24/65/1449132465.db2.gz MWAQQVRQBLNASG-AATRIKPKSA-N -2 0 381.446 3.099 20 0 GGADRL CCCCCc1nnc([N-]C(=O)CSc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736451917 1449428753 /nfs/dbraw/zinc/42/87/53/1449428753.db2.gz ROXOGYZPCJDACL-UHFFFAOYSA-N -2 0 389.510 3.182 20 0 GGADRL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000823078458 1449541638 /nfs/dbraw/zinc/54/16/38/1449541638.db2.gz NQFAGPZOWHRESY-UHFFFAOYSA-N -2 0 397.851 3.220 20 0 GGADRL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]c1nc(-c2ccsc2)ns1 ZINC000737853581 1449812389 /nfs/dbraw/zinc/81/23/89/1449812389.db2.gz NPKNCHDQUFBPMM-UHFFFAOYSA-N -2 0 383.462 3.018 20 0 GGADRL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]c1nnc(C=Cc2ccco2)s1 ZINC000826401893 1450023850 /nfs/dbraw/zinc/02/38/50/1450023850.db2.gz IZSDZFXPAZVKQE-ZWOQCJTASA-N -2 0 391.416 3.134 20 0 GGADRL O=C(Nc1cc(-c2nnn[n-]2)ccc1O)c1cccc(Oc2nccs2)c1 ZINC000823294489 1450121130 /nfs/dbraw/zinc/12/11/30/1450121130.db2.gz CPWOKGSHYBSSJA-UHFFFAOYSA-N -2 0 380.389 3.073 20 0 GGADRL CSc1ccc(C)c([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826230553 1450272116 /nfs/dbraw/zinc/27/21/16/1450272116.db2.gz YOYILJQRJNBILQ-UHFFFAOYSA-N -2 0 375.479 3.006 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2C#N)c1C(=O)[O-] ZINC000322138541 970851156 /nfs/dbraw/zinc/85/11/56/970851156.db2.gz QPQTYZHHUNGZMK-UHFFFAOYSA-N -2 0 399.222 3.030 20 0 GGADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000323364539 970994636 /nfs/dbraw/zinc/99/46/36/970994636.db2.gz CQWRUDMMVOIBBJ-UHFFFAOYSA-N -2 0 376.799 3.117 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)s1 ZINC000324569843 971133623 /nfs/dbraw/zinc/13/36/23/971133623.db2.gz SOYWCSTZPKBGPX-UHFFFAOYSA-N -2 0 383.838 3.086 20 0 GGADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)NC(C2CCC2)C2CCC2)c1F ZINC000325129963 971189354 /nfs/dbraw/zinc/18/93/54/971189354.db2.gz JAOHYSATHMVIJV-UHFFFAOYSA-N -2 0 375.849 3.424 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1 ZINC000326711770 971320392 /nfs/dbraw/zinc/32/03/92/971320392.db2.gz CPOUUCBCOKHEKI-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000326987571 971353821 /nfs/dbraw/zinc/35/38/21/971353821.db2.gz SDHWTTURESGVAY-UHFFFAOYSA-N -2 0 381.837 3.266 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c1 ZINC000327135980 971370895 /nfs/dbraw/zinc/37/08/95/971370895.db2.gz RITCYVJBILARMM-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000327056311 971360718 /nfs/dbraw/zinc/36/07/18/971360718.db2.gz YWUXJKCVIJECSZ-UHFFFAOYSA-N -2 0 381.837 3.336 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c1 ZINC000327061941 971362437 /nfs/dbraw/zinc/36/24/37/971362437.db2.gz BBTZRROEXMBGEZ-UHFFFAOYSA-N -2 0 379.287 3.065 20 0 GGADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000327234366 971378599 /nfs/dbraw/zinc/37/85/99/971378599.db2.gz OVOHCZBZPCJZEO-UHFFFAOYSA-N -2 0 388.760 3.195 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)NCc2ccccc2C(F)(F)F)c1 ZINC000327586169 971410319 /nfs/dbraw/zinc/41/03/19/971410319.db2.gz HIGVQKSVYKGQNW-UHFFFAOYSA-N -2 0 377.315 3.021 20 0 GGADRL CCCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])cc1 ZINC000327506057 971404635 /nfs/dbraw/zinc/40/46/35/971404635.db2.gz HRUHPOPQEGITTR-UHFFFAOYSA-N -2 0 383.447 3.122 20 0 GGADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1coc(C=CC(=O)[O-])c1 ZINC001589673695 949962161 /nfs/dbraw/zinc/96/21/61/949962161.db2.gz QUCLEHOJZJZWDC-ONEGZZNKSA-N -2 0 387.417 3.140 20 0 GGADRL O=C([O-])CC1(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CCCCC1 ZINC001594983495 950994206 /nfs/dbraw/zinc/99/42/06/950994206.db2.gz DEUZWWMLSGQXRC-UHFFFAOYSA-N -2 0 377.828 3.139 20 0 GGADRL O=C([O-])Cc1ccccc1NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001595137177 952060963 /nfs/dbraw/zinc/06/09/63/952060963.db2.gz MNFPLVQIQRSETC-UHFFFAOYSA-N -2 0 378.178 3.027 20 0 GGADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cccc(CCC(=O)[O-])c2)n1 ZINC000473959482 953525497 /nfs/dbraw/zinc/52/54/97/953525497.db2.gz OMYVUIYMICZJBD-UHFFFAOYSA-N -2 0 383.379 3.295 20 0 GGADRL CC[C@H](NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-])C(=O)[O-] ZINC001593623186 953538122 /nfs/dbraw/zinc/53/81/22/953538122.db2.gz QXTFLEMWJBLWCG-VIFPVBQESA-N -2 0 392.626 3.131 20 0 GGADRL CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)s1)c1ccccc1 ZINC000630560201 953859518 /nfs/dbraw/zinc/85/95/18/953859518.db2.gz AVCXPVVSCAZRSF-BPLDGKMQSA-N -2 0 388.493 3.076 20 0 GGADRL CCC(CC)c1n[n-]c(=NC(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000649537560 953999551 /nfs/dbraw/zinc/99/95/51/953999551.db2.gz KDZYWBOLTWHKHX-SFHVURJKSA-N -2 0 376.482 3.028 20 0 GGADRL O=C([O-])[C@@H]1CN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])Cc2ccccc21 ZINC001594953857 954968475 /nfs/dbraw/zinc/96/84/75/954968475.db2.gz PSZQQPAAVFZMJN-MRXNPFEDSA-N -2 0 397.818 3.056 20 0 GGADRL Cc1cscc1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000387154132 972107854 /nfs/dbraw/zinc/10/78/54/972107854.db2.gz ZMRVALWBORTOMG-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL C[C@@](CNC(=O)c1cc(Br)cc(F)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001589060327 955722045 /nfs/dbraw/zinc/72/20/45/955722045.db2.gz SSXJPZMANYPJSB-KRWDZBQOSA-N -2 0 396.212 3.066 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)c1C(=O)[O-] ZINC000388218354 972161445 /nfs/dbraw/zinc/16/14/45/972161445.db2.gz QUJKFHQGVGTDOX-UHFFFAOYSA-N -2 0 388.239 3.466 20 0 GGADRL O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000013087846 956941262 /nfs/dbraw/zinc/94/12/62/956941262.db2.gz RIJXHNQZQKMNQL-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000013264951 957002129 /nfs/dbraw/zinc/00/21/29/957002129.db2.gz MDAWNZZRJJJBRZ-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000013269189 957004803 /nfs/dbraw/zinc/00/48/03/957004803.db2.gz AHLSLBFAAJGGQQ-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])[C@H]1C[C@H](NC(=O)c2cc(Br)c(F)cc2[O-])c2ccccc21 ZINC001594727312 957015915 /nfs/dbraw/zinc/01/59/15/957015915.db2.gz RJWTUTVCDHAHRW-HZMBPMFUSA-N -2 0 394.196 3.337 20 0 GGADRL Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000038058891 957353162 /nfs/dbraw/zinc/35/31/62/957353162.db2.gz KQXWSPQTMDGCSX-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000041091047 957386557 /nfs/dbraw/zinc/38/65/57/957386557.db2.gz IULLARKXBMULTC-UHFFFAOYSA-N -2 0 377.418 3.078 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2sccc2Br)c(F)cc1F ZINC000042266237 957407415 /nfs/dbraw/zinc/40/74/15/957407415.db2.gz NBHGELLVKFIGLC-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL COC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000042795812 957428198 /nfs/dbraw/zinc/42/81/98/957428198.db2.gz BWGFBQPFBCOWBW-UHFFFAOYSA-N -2 0 384.797 3.017 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055579609 957546966 /nfs/dbraw/zinc/54/69/66/957546966.db2.gz CJYQXNRIMJPMBV-UHFFFAOYSA-N -2 0 384.335 3.385 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)c1 ZINC000055635827 957548105 /nfs/dbraw/zinc/54/81/05/957548105.db2.gz YWPCHJCOZLETOU-UHFFFAOYSA-N -2 0 391.836 3.084 20 0 GGADRL CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000057122633 957549842 /nfs/dbraw/zinc/54/98/42/957549842.db2.gz HETBIXRXPSZTTO-UHFFFAOYSA-N -2 0 394.836 3.498 20 0 GGADRL O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000057586674 957552002 /nfs/dbraw/zinc/55/20/02/957552002.db2.gz FIPACTQSWHBNMX-UHFFFAOYSA-N -2 0 399.424 3.356 20 0 GGADRL CC(C)OCCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000065832855 957639999 /nfs/dbraw/zinc/63/99/99/957639999.db2.gz CPMCKMWOIPVJRY-UHFFFAOYSA-N -2 0 399.490 3.189 20 0 GGADRL O=C([O-])COc1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc1[N+](=O)[O-] ZINC000068042164 957645939 /nfs/dbraw/zinc/64/59/39/957645939.db2.gz JKOQPHKABRWLAG-FNORWQNLSA-N -2 0 394.339 3.475 20 0 GGADRL COc1ccc(-c2cc3[n-]c(CSCCC(=O)[O-])nc(=O)c3s2)cc1 ZINC001594071267 958186246 /nfs/dbraw/zinc/18/62/46/958186246.db2.gz OCWXGFHFEOSYDG-UHFFFAOYSA-N -2 0 376.459 3.368 20 0 GGADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])n2)c1 ZINC001594366009 958488995 /nfs/dbraw/zinc/48/89/95/958488995.db2.gz GDTGWWGAYSBHIT-CYBMUJFWSA-N -2 0 377.416 3.035 20 0 GGADRL N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1C(F)(F)F ZINC000391820445 972379198 /nfs/dbraw/zinc/37/91/98/972379198.db2.gz XAAISLOMHZAELJ-UHFFFAOYSA-N -2 0 376.337 3.138 20 0 GGADRL CCOC(=O)c1ccsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000391859220 972383708 /nfs/dbraw/zinc/38/37/08/972383708.db2.gz QTRURKNUCFVLJI-UHFFFAOYSA-N -2 0 389.838 3.077 20 0 GGADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)Nc1ccccc1CC(=O)[O-] ZINC001594169437 958973976 /nfs/dbraw/zinc/97/39/76/958973976.db2.gz MSWRPYFFAUBQIF-UHFFFAOYSA-N -2 0 398.440 3.091 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cccc1C(=O)[O-] ZINC000156551390 959052958 /nfs/dbraw/zinc/05/29/58/959052958.db2.gz RLBBPDDCTMOIBP-UHFFFAOYSA-N -2 0 381.278 3.190 20 0 GGADRL N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000391995589 972398495 /nfs/dbraw/zinc/39/84/95/972398495.db2.gz LLEMVAWVTUIHBD-UHFFFAOYSA-N -2 0 376.337 3.138 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)s1 ZINC000391993278 972398735 /nfs/dbraw/zinc/39/87/35/972398735.db2.gz FJMOTBGGEVVKQO-UHFFFAOYSA-N -2 0 383.838 3.086 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1cc(C)ccc1C ZINC000161798080 959196392 /nfs/dbraw/zinc/19/63/92/959196392.db2.gz UNGMFYWQQYUIOV-UHFFFAOYSA-N -2 0 391.474 3.358 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2cc(C)ccc2C)c1C ZINC000161851263 959197431 /nfs/dbraw/zinc/19/74/31/959197431.db2.gz KJCWWWPGFFVRMD-UHFFFAOYSA-N -2 0 389.433 3.198 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c(OC)cc1Cl ZINC000392211530 972427377 /nfs/dbraw/zinc/42/73/77/972427377.db2.gz ROLXVJLVAKVWQP-UHFFFAOYSA-N -2 0 389.813 3.066 20 0 GGADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000181717411 959441968 /nfs/dbraw/zinc/44/19/68/959441968.db2.gz DJHATNLXXMXLOS-UHFFFAOYSA-N -2 0 393.509 3.319 20 0 GGADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000183346223 959446051 /nfs/dbraw/zinc/44/60/51/959446051.db2.gz OAHNNXPUBUTMPG-UHFFFAOYSA-N 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ZINC000392546745 972497168 /nfs/dbraw/zinc/49/71/68/972497168.db2.gz DLQLGDUVTXWLIS-UHFFFAOYSA-N -2 0 391.232 3.204 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(Br)c(C)n2)cc1C(=O)[O-] ZINC001184653756 960512925 /nfs/dbraw/zinc/51/29/25/960512925.db2.gz QAWZUOKFFYYLEF-UHFFFAOYSA-N -2 0 399.266 3.268 20 0 GGADRL CC(C)c1nnc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cn21 ZINC001187554318 960544961 /nfs/dbraw/zinc/54/49/61/960544961.db2.gz JWYMDKUCFSUXKS-UHFFFAOYSA-N -2 0 394.840 3.005 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(Cl)c(Br)c2)cs1 ZINC000236460134 960634899 /nfs/dbraw/zinc/63/48/99/960634899.db2.gz LHQJNKKGIOWCCA-UHFFFAOYSA-N -2 0 397.659 3.058 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c(F)cc1Cl ZINC001259213363 960667088 /nfs/dbraw/zinc/66/70/88/960667088.db2.gz OTTPJTSLNCUGNK-UHFFFAOYSA-N -2 0 398.721 3.392 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)c(F)cc1Cl ZINC001259213801 960668171 /nfs/dbraw/zinc/66/81/71/960668171.db2.gz MVYMEOXYDRHYIL-UHFFFAOYSA-N -2 0 384.816 3.252 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c(F)cc1Cl ZINC001259219589 960679739 /nfs/dbraw/zinc/67/97/39/960679739.db2.gz BDFVUTZUMUASAE-UHFFFAOYSA-N -2 0 380.180 3.337 20 0 GGADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])n1 ZINC001574330834 960886899 /nfs/dbraw/zinc/88/68/99/960886899.db2.gz RPEDFEYHEKYTBC-CYBMUJFWSA-N -2 0 377.416 3.035 20 0 GGADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001319102751 960924215 /nfs/dbraw/zinc/92/42/15/960924215.db2.gz BQJSVWVGQRAYIC-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cc1 ZINC001339437875 962026107 /nfs/dbraw/zinc/02/61/07/962026107.db2.gz LOSGYOMHSMWVTJ-UHFFFAOYSA-N -2 0 376.356 3.197 20 0 GGADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)cc1)C(=O)[O-] ZINC001342424980 962145903 /nfs/dbraw/zinc/14/59/03/962145903.db2.gz NKAOODVHEFWYTM-SECBINFHSA-N -2 0 389.260 3.452 20 0 GGADRL CC(C)C[C@H](CNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])CC(=O)[O-] ZINC001588895085 962235636 /nfs/dbraw/zinc/23/56/36/962235636.db2.gz YXQFOARWCPICDU-LBPRGKRZSA-N -2 0 379.844 3.098 20 0 GGADRL O=C([O-])CC[C@@H]1C[C@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])CO1 ZINC001574686895 962619264 /nfs/dbraw/zinc/61/92/64/962619264.db2.gz PXJQOOOZGZHTFN-IONNQARKSA-N -2 0 392.633 3.017 20 0 GGADRL O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2cc(Br)cc(Cl)c2[O-])CO1 ZINC001574686893 962619595 /nfs/dbraw/zinc/61/95/95/962619595.db2.gz PXJQOOOZGZHTFN-APPZFPTMSA-N -2 0 392.633 3.017 20 0 GGADRL CCc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000269663984 962775566 /nfs/dbraw/zinc/77/55/66/962775566.db2.gz KYWATUJLBQZAFC-UHFFFAOYSA-N -2 0 391.445 3.110 20 0 GGADRL CC(C)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000279831050 962856898 /nfs/dbraw/zinc/85/68/98/962856898.db2.gz FFSVHOADZVKRFL-UHFFFAOYSA-N -2 0 389.355 3.118 20 0 GGADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000287126166 962891421 /nfs/dbraw/zinc/89/14/21/962891421.db2.gz BQBXXIGCOOIJBV-UHFFFAOYSA-N -2 0 388.367 3.263 20 0 GGADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000392994507 972553621 /nfs/dbraw/zinc/55/36/21/972553621.db2.gz GWRHCMCTRVHXBZ-UHFFFAOYSA-N -2 0 382.463 3.150 20 0 GGADRL O=C([O-])[C@H]1CC(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])=NN1c1ccccc1 ZINC001605845237 972585052 /nfs/dbraw/zinc/58/50/52/972585052.db2.gz MGUYDXBXGLHRLA-CQSZACIVSA-N -2 0 394.214 3.357 20 0 GGADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC001605179629 972895974 /nfs/dbraw/zinc/89/59/74/972895974.db2.gz RIORLAOHVBRTPM-CVEARBPZSA-N -2 0 395.390 3.068 20 0 GGADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC001605179634 972896263 /nfs/dbraw/zinc/89/62/63/972896263.db2.gz RIORLAOHVBRTPM-HZPDHXFCSA-N -2 0 395.390 3.068 20 0 GGADRL O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])CO1 ZINC001606111509 973319650 /nfs/dbraw/zinc/31/96/50/973319650.db2.gz ITRUNTJKLJDHAH-VXNVDRBHSA-N -2 0 392.633 3.017 20 0 GGADRL COCc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C ZINC000410402426 973929522 /nfs/dbraw/zinc/92/95/22/973929522.db2.gz SLLVFYKIBWOJBR-UHFFFAOYSA-N -2 0 379.434 3.119 20 0 GGADRL CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000410403161 973929705 /nfs/dbraw/zinc/92/97/05/973929705.db2.gz RPWWEUBMYIKEDR-UHFFFAOYSA-N -2 0 377.418 3.175 20 0 GGADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cccc1C(=O)[O-] ZINC000410403104 973929913 /nfs/dbraw/zinc/92/99/13/973929913.db2.gz RIBBSMCWIGTROQ-GFCCVEGCSA-N -2 0 391.445 3.296 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)ccc1F ZINC000427143678 974050275 /nfs/dbraw/zinc/05/02/75/974050275.db2.gz KKKCLMHOOWLGFS-UHFFFAOYSA-N -2 0 397.277 3.362 20 0 GGADRL Cc1c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2C(=O)[O-])cnn1C ZINC000427199948 974050713 /nfs/dbraw/zinc/05/07/13/974050713.db2.gz MJLYNAKAQWFGIR-UHFFFAOYSA-N -2 0 387.417 3.020 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)ccc1C(=O)[O-] ZINC000432757692 974093822 /nfs/dbraw/zinc/09/38/22/974093822.db2.gz BYRUTFMCUVTKOK-UHFFFAOYSA-N -2 0 393.314 3.352 20 0 GGADRL O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)ccc12 ZINC000438778868 974102340 /nfs/dbraw/zinc/10/23/40/974102340.db2.gz MVULLCBWMGHZEP-UHFFFAOYSA-N -2 0 394.792 3.019 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c(F)c1 ZINC000438791529 974104456 /nfs/dbraw/zinc/10/44/56/974104456.db2.gz KKRRLQGCUDESNV-UHFFFAOYSA-N -2 0 379.409 3.251 20 0 GGADRL Cc1nccc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2)n1 ZINC000438815878 974106453 /nfs/dbraw/zinc/10/64/53/974106453.db2.gz UUEUUTLYEHPCDT-UHFFFAOYSA-N -2 0 387.392 3.090 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)cc1Cl ZINC000438809009 974106483 /nfs/dbraw/zinc/10/64/83/974106483.db2.gz URQSTTYGTWAJSE-UHFFFAOYSA-N -2 0 389.820 3.296 20 0 GGADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)[nH]n1 ZINC000444420991 974121734 /nfs/dbraw/zinc/12/17/34/974121734.db2.gz BRFPPKDQZWZTIL-UHFFFAOYSA-N -2 0 375.381 3.023 20 0 GGADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)n[nH]1 ZINC000444422211 974122055 /nfs/dbraw/zinc/12/20/55/974122055.db2.gz LBIPPWNZAPEMHF-UHFFFAOYSA-N -2 0 389.408 3.332 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2F)nc1 ZINC000447274180 974125251 /nfs/dbraw/zinc/12/52/51/974125251.db2.gz LRUDFUNDFXCQSX-UHFFFAOYSA-N -2 0 392.364 3.413 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c(Cl)c1 ZINC000462079252 974185295 /nfs/dbraw/zinc/18/52/95/974185295.db2.gz DJHNOPFHIUSVLC-UHFFFAOYSA-N -2 0 394.836 3.188 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c2ncccc12 ZINC000463788147 974187322 /nfs/dbraw/zinc/18/73/22/974187322.db2.gz QCSWYZNQHLRQJW-UHFFFAOYSA-N -2 0 386.429 3.061 20 0 GGADRL CC[C@@H](Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1)C(=O)[O-] ZINC000463780593 974187349 /nfs/dbraw/zinc/18/73/49/974187349.db2.gz DCQZAVQZDHOUAS-AWEZNQCLSA-N -2 0 391.445 3.147 20 0 GGADRL CC[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1)C(=O)[O-] ZINC000463792870 974187428 /nfs/dbraw/zinc/18/74/28/974187428.db2.gz BZCXCDUWCALNSE-AWEZNQCLSA-N -2 0 391.445 3.147 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c2ncccc12 ZINC000463785428 974187709 /nfs/dbraw/zinc/18/77/09/974187709.db2.gz WRDFNCILWQSLAK-UHFFFAOYSA-N -2 0 386.429 3.441 20 0 GGADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000466325112 974189267 /nfs/dbraw/zinc/18/92/67/974189267.db2.gz JRISTGPUIXPYFX-UHFFFAOYSA-N -2 0 387.360 3.104 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1C ZINC000467751925 974191762 /nfs/dbraw/zinc/19/17/62/974191762.db2.gz ISJJJZAWMSSAAX-UHFFFAOYSA-N -2 0 393.339 3.337 20 0 GGADRL Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cccc1C(=O)[O-] ZINC000476771827 974202803 /nfs/dbraw/zinc/20/28/03/974202803.db2.gz KUMMEDKPXVZIPJ-UHFFFAOYSA-N -2 0 377.418 3.316 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(C)(C)C)c1O ZINC000479576981 974216829 /nfs/dbraw/zinc/21/68/29/974216829.db2.gz VJWXEJKMMFFFFX-UHFFFAOYSA-N -2 0 379.434 3.197 20 0 GGADRL Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C)OCO2 ZINC000479259320 974217030 /nfs/dbraw/zinc/21/70/30/974217030.db2.gz KUZWKDTXVYWQLS-UHFFFAOYSA-N -2 0 393.417 3.010 20 0 GGADRL COCc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000484661444 974222371 /nfs/dbraw/zinc/22/23/71/974222371.db2.gz CLBKDVLIJNPICT-UHFFFAOYSA-N -2 0 379.434 3.119 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1)O[C@H](C)C2 ZINC000485255466 974224118 /nfs/dbraw/zinc/22/41/18/974224118.db2.gz BBPIOJIESXDAJK-SNVBAGLBSA-N -2 0 395.408 3.047 20 0 GGADRL CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485280975 974225410 /nfs/dbraw/zinc/22/54/10/974225410.db2.gz YDZKZPREJUFUJB-UHFFFAOYSA-N -2 0 381.381 3.146 20 0 GGADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485294989 974225599 /nfs/dbraw/zinc/22/55/99/974225599.db2.gz BOUICOLUKTWYHQ-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)c(F)c1 ZINC000486522655 974248542 /nfs/dbraw/zinc/24/85/42/974248542.db2.gz WTDHFOUOGWGPAG-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)cc1F ZINC000489581130 974250812 /nfs/dbraw/zinc/25/08/12/974250812.db2.gz FSAQLBPUSSKNAK-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC000489284967 974251433 /nfs/dbraw/zinc/25/14/33/974251433.db2.gz IFHHVKJZNSSOSC-UHFFFAOYSA-N -2 0 387.417 3.020 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)O[C@@H](C)C2 ZINC000489724916 974252447 /nfs/dbraw/zinc/25/24/47/974252447.db2.gz NEWFSMILYWQJEL-JTQLQIEISA-N -2 0 395.408 3.047 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccc4)nc3c2)c[nH]1 ZINC000491584874 974257429 /nfs/dbraw/zinc/25/74/29/974257429.db2.gz YBRAMHSYJHVXOF-UHFFFAOYSA-N -2 0 382.401 3.057 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2csc3ccccc32)c(C(=O)[O-])cc1OC ZINC000504695828 974272051 /nfs/dbraw/zinc/27/20/51/974272051.db2.gz SMBSUSCQFZIAMK-UHFFFAOYSA-N -2 0 393.442 3.418 20 0 GGADRL Cc1cc(S(=O)(=O)Nc2ccc(S[C@@H](C)C(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000507638985 974278388 /nfs/dbraw/zinc/27/83/88/974278388.db2.gz VAGHYOVHOYMAHJ-NSHDSACASA-N -2 0 395.458 3.059 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000507621168 974278416 /nfs/dbraw/zinc/27/84/16/974278416.db2.gz NIVFARHSNZGBCK-LLVKDONJSA-N -2 0 395.458 3.059 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)ccc1C(=O)[O-] ZINC000507887078 974279934 /nfs/dbraw/zinc/27/99/34/974279934.db2.gz JEHFMLSEVWMPMQ-UHFFFAOYSA-N -2 0 389.351 3.277 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C(=O)[O-])cccc1C(C)C ZINC000511240030 974285666 /nfs/dbraw/zinc/28/56/66/974285666.db2.gz IXSDXTXACGQAEW-UHFFFAOYSA-N -2 0 377.418 3.316 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C ZINC000522378718 974349284 /nfs/dbraw/zinc/34/92/84/974349284.db2.gz IJLKXVYZGUQEQB-UHFFFAOYSA-N -3 0 399.446 3.041 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)cc1F ZINC000532017243 974372305 /nfs/dbraw/zinc/37/23/05/974372305.db2.gz PZJHIQSYXNXWNC-UHFFFAOYSA-N -2 0 380.397 3.041 20 0 GGADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc1 ZINC000532843035 974377099 /nfs/dbraw/zinc/37/70/99/974377099.db2.gz DSLKFKWISOQPOV-UHFFFAOYSA-N -2 0 384.413 3.013 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)cc1C(=O)[O-] ZINC000535025343 974379579 /nfs/dbraw/zinc/37/95/79/974379579.db2.gz HWCYFSKEUAVTFO-UHFFFAOYSA-N -2 0 377.466 3.269 20 0 GGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1C1CC1 ZINC000535686978 974379952 /nfs/dbraw/zinc/37/99/52/974379952.db2.gz XPCSWRWSLMQXDY-LLVKDONJSA-N -2 0 393.465 3.239 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)nn1-c1cccc(Cl)c1 ZINC000538497274 974389304 /nfs/dbraw/zinc/38/93/04/974389304.db2.gz LKXAYUBWSRGLQM-UHFFFAOYSA-N -2 0 395.824 3.235 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)nn1[C@@H](C)C1CC1 ZINC000541304252 974410526 /nfs/dbraw/zinc/41/05/26/974410526.db2.gz QGAXAGAWJFSIJG-NSHDSACASA-N -2 0 381.429 3.109 20 0 GGADRL O=C([O-])c1coc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000541838719 974413131 /nfs/dbraw/zinc/41/31/31/974413131.db2.gz QQAHFAYYSRYMQI-UHFFFAOYSA-N -2 0 386.385 3.031 20 0 GGADRL Cc1cc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000543662331 974418463 /nfs/dbraw/zinc/41/84/63/974418463.db2.gz FAHKMVQJCMTXCB-GFCCVEGCSA-N -2 0 391.445 3.066 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1C ZINC000543651430 974418548 /nfs/dbraw/zinc/41/85/48/974418548.db2.gz HRZXNAFXUHSEDO-LBPRGKRZSA-N -2 0 391.445 3.066 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000544097014 974419541 /nfs/dbraw/zinc/41/95/41/974419541.db2.gz XCZUAMONYOPWMK-GFCCVEGCSA-N -2 0 377.418 3.072 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000544098605 974419598 /nfs/dbraw/zinc/41/95/98/974419598.db2.gz MNWXIKRTROJSAB-NSHDSACASA-N -2 0 377.418 3.072 20 0 GGADRL Cc1ccc(NS(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1C(=O)[O-] ZINC000543862841 974419651 /nfs/dbraw/zinc/41/96/51/974419651.db2.gz RPZUDHDNWBLGIK-UHFFFAOYSA-N -2 0 391.445 3.046 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000544645347 974422176 /nfs/dbraw/zinc/42/21/76/974422176.db2.gz NGVSYIIQCUKPJW-ZDUSSCGKSA-N -2 0 391.445 3.066 20 0 GGADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(C)cc1C ZINC000547872899 974444285 /nfs/dbraw/zinc/44/42/85/974444285.db2.gz QTZIXINZQPHTBO-UHFFFAOYSA-N -2 0 379.482 3.272 20 0 GGADRL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(C)cc1C ZINC000548535368 974465407 /nfs/dbraw/zinc/46/54/07/974465407.db2.gz TWZQLJHHNVJMEA-UHFFFAOYSA-N -2 0 397.836 3.242 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1-c1cc(C)ccc1C ZINC000555120829 974485200 /nfs/dbraw/zinc/48/52/00/974485200.db2.gz BFQQFMQLXYVGFB-UHFFFAOYSA-N -2 0 399.472 3.225 20 0 GGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C1CC1 ZINC000558587221 974495688 /nfs/dbraw/zinc/49/56/88/974495688.db2.gz YQYZVAWNNAPPRF-LBPRGKRZSA-N -2 0 377.466 3.159 20 0 GGADRL CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000569894567 974700949 /nfs/dbraw/zinc/70/09/49/974700949.db2.gz BZEKAYLTBLIFMW-UHFFFAOYSA-N -2 0 381.425 3.431 20 0 GGADRL CCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1C1CC1 ZINC000570364955 974710188 /nfs/dbraw/zinc/71/01/88/974710188.db2.gz YFIMJWKACGUSGR-UHFFFAOYSA-N -2 0 377.466 3.286 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)c(C(=O)[O-])c1 ZINC000602734025 975013445 /nfs/dbraw/zinc/01/34/45/975013445.db2.gz DDZHYBNBBYYAKN-JTQLQIEISA-N -2 0 396.490 3.007 20 0 GGADRL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2F)n1 ZINC000614857149 975022445 /nfs/dbraw/zinc/02/24/45/975022445.db2.gz CJNHGERQVZXIFJ-UHFFFAOYSA-N -2 0 395.437 3.189 20 0 GGADRL CC(C)OCc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC001591734319 975715128 /nfs/dbraw/zinc/71/51/28/975715128.db2.gz DTVNBCCSDXYSAT-UHFFFAOYSA-N -2 0 385.388 3.389 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1csc(-c2ccccc2)n1 ZINC000671663235 976010004 /nfs/dbraw/zinc/01/00/04/976010004.db2.gz IYRDEHQVJYAUSA-UHFFFAOYSA-N -2 0 390.442 3.318 20 0 GGADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)c1 ZINC000674755618 976011459 /nfs/dbraw/zinc/01/14/59/976011459.db2.gz USTCQBHIZXAEIH-UHFFFAOYSA-N -2 0 395.799 3.368 20 0 GGADRL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000676077027 976028921 /nfs/dbraw/zinc/02/89/21/976028921.db2.gz IYGIUSXPEJWVBN-GFCCVEGCSA-N -2 0 389.408 3.131 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H](C(=O)[O-])c3ccsc3)n2)cc1 ZINC001591943137 976475273 /nfs/dbraw/zinc/47/52/73/976475273.db2.gz DXABOGOICWVVLC-MRXNPFEDSA-N -2 0 385.445 3.319 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@]3(C)CCCC[C@@H]3C(=O)[O-])n2)cc1 ZINC001591943180 976476864 /nfs/dbraw/zinc/47/68/64/976476864.db2.gz FXLJJJQHELNMQQ-IIBYNOLFSA-N -2 0 385.464 3.465 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N(CCC(F)(F)F)CC(=O)[O-])n2)cc1 ZINC001591943662 976481982 /nfs/dbraw/zinc/48/19/82/976481982.db2.gz PBHDQDQHNFBIOW-UHFFFAOYSA-N -2 0 399.369 3.181 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H](CC(=O)[O-])C3CCCC3)n2)cc1 ZINC001591943675 976482501 /nfs/dbraw/zinc/48/25/01/976482501.db2.gz PLWQOIARBZPAEU-QGZVFWFLSA-N -2 0 385.464 3.465 20 0 GGADRL CC(C)c1cccc(-c2ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])o2)c1 ZINC001591983101 976601181 /nfs/dbraw/zinc/60/11/81/976601181.db2.gz HMDILCKQIWYLGD-QWHCGFSZSA-N -2 0 393.461 3.239 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H](C(=O)[O-])c3ccccc3)n2)c1 ZINC001591983252 976602905 /nfs/dbraw/zinc/60/29/05/976602905.db2.gz MARZUJOYQJBQMU-SFHVURJKSA-N -2 0 379.416 3.257 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3cccc(C(=O)[O-])c3N)n2)c1 ZINC001591983829 976605698 /nfs/dbraw/zinc/60/56/98/976605698.db2.gz SKWFGCGLWWNTIB-UHFFFAOYSA-N -2 0 380.404 3.234 20 0 GGADRL CC(C)c1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n[nH]1 ZINC001592008656 976679905 /nfs/dbraw/zinc/67/99/05/976679905.db2.gz QGTWQHBDUQBYRB-UHFFFAOYSA-N -2 0 392.462 3.156 20 0 GGADRL CC(C)c1ncc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cn1 ZINC001592037337 976754347 /nfs/dbraw/zinc/75/43/47/976754347.db2.gz JARAHMIQEIDENM-UHFFFAOYSA-N -2 0 377.447 3.314 20 0 GGADRL CC(C)c1nnc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])s1 ZINC001592075768 976827898 /nfs/dbraw/zinc/82/78/98/976827898.db2.gz RGJBLIBGSRVEMD-UHFFFAOYSA-N -2 0 396.277 3.467 20 0 GGADRL CC(C)c1sc([N-]S(=O)(=O)c2cnc3ccsc3c2)nc1C(=O)[O-] ZINC001592117548 976922031 /nfs/dbraw/zinc/92/20/31/976922031.db2.gz SIUVCVHZQIWIFB-UHFFFAOYSA-N -2 0 383.476 3.375 20 0 GGADRL CC(C)n1cc(Cl)c([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])n1 ZINC001592131244 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CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000794596448 978814187 /nfs/dbraw/zinc/81/41/87/978814187.db2.gz NMLXTEYPDWFZBG-UHFFFAOYSA-N -2 0 383.809 3.137 20 0 GGADRL CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c(F)cc1C ZINC000794757496 978819226 /nfs/dbraw/zinc/81/92/26/978819226.db2.gz PAUGREUPFREWDG-UHFFFAOYSA-N -2 0 395.408 3.118 20 0 GGADRL COc1ccc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)ccc2c1 ZINC000795367033 978831782 /nfs/dbraw/zinc/83/17/82/978831782.db2.gz RWZUTDQUQWCSPR-UHFFFAOYSA-N -2 0 375.377 3.487 20 0 GGADRL CC(C)Oc1c([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)cccc1C(=O)[O-] ZINC000799126156 978836690 /nfs/dbraw/zinc/83/66/90/978836690.db2.gz ZABGHYNYPMFBFY-UHFFFAOYSA-N -2 0 388.804 3.160 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c(Cl)n1 ZINC000800838018 978847345 /nfs/dbraw/zinc/84/73/45/978847345.db2.gz LZTOKHGRPVFPRD-UHFFFAOYSA-N -2 0 384.841 3.330 20 0 GGADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000800844983 978848027 /nfs/dbraw/zinc/84/80/27/978848027.db2.gz VMGQGIHAWOCREO-UHFFFAOYSA-N -2 0 396.293 3.186 20 0 GGADRL Cn1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1-c1ccccc1 ZINC000808118158 978851644 /nfs/dbraw/zinc/85/16/44/978851644.db2.gz SNTKMGBMQKYGAI-UHFFFAOYSA-N -2 0 391.836 3.240 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)nn1C1CCCCC1 ZINC000811719454 978855968 /nfs/dbraw/zinc/85/59/68/978855968.db2.gz YCOWAPUTLNUZAG-UHFFFAOYSA-N -2 0 381.429 3.335 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)nn1C(C)C ZINC000817357022 978903643 /nfs/dbraw/zinc/90/36/43/978903643.db2.gz CWYCVMHWIXNISK-UHFFFAOYSA-N -2 0 375.809 3.064 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)c1 ZINC000821089679 978925864 /nfs/dbraw/zinc/92/58/64/978925864.db2.gz MDDXQZVFHNKETO-UHFFFAOYSA-N -2 0 395.849 3.358 20 0 GGADRL O=C([O-])c1ccc(CS(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000821163350 978925981 /nfs/dbraw/zinc/92/59/81/978925981.db2.gz QKDWPDCKIOQPGL-UHFFFAOYSA-N -2 0 385.397 3.178 20 0 GGADRL CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000828570413 978985588 /nfs/dbraw/zinc/98/55/88/978985588.db2.gz CQHHFVNZKDOLRP-UHFFFAOYSA-N -2 0 386.813 3.089 20 0 GGADRL CCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1C1CC1 ZINC000830082574 979012967 /nfs/dbraw/zinc/01/29/67/979012967.db2.gz JQQLDEVDFLJZPR-UHFFFAOYSA-N -2 0 381.429 3.117 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC000831945061 979036311 /nfs/dbraw/zinc/03/63/11/979036311.db2.gz FCWCNMKKEAVGBZ-UHFFFAOYSA-N -2 0 385.463 3.259 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc3[nH]c(C(C)(C)C)nc3c2)cc1C(=O)[O-] ZINC000833030410 979070698 /nfs/dbraw/zinc/07/06/98/979070698.db2.gz VEAXGFUXPFHYRB-UHFFFAOYSA-N -2 0 377.422 3.261 20 0 GGADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])cc1C ZINC001595022402 979105484 /nfs/dbraw/zinc/10/54/84/979105484.db2.gz BCRVXUMORSJFEZ-NSHDSACASA-N -2 0 388.449 3.210 20 0 GGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1C1CC1 ZINC001595027400 979143708 /nfs/dbraw/zinc/14/37/08/979143708.db2.gz UMYZHGPIPFTLFY-JTQLQIEISA-N -2 0 381.429 3.370 20 0 GGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c1C1CC1 ZINC001595027401 979143762 /nfs/dbraw/zinc/14/37/62/979143762.db2.gz UMYZHGPIPFTLFY-SNVBAGLBSA-N -2 0 381.429 3.370 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000833345168 979166065 /nfs/dbraw/zinc/16/60/65/979166065.db2.gz MSDYSBJQQLQYGN-UHFFFAOYSA-N -2 0 386.760 3.314 20 0 GGADRL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001595125615 979508495 /nfs/dbraw/zinc/50/84/95/979508495.db2.gz CGDMYPZUWGNZCY-GFCCVEGCSA-N -2 0 387.885 3.450 20 0 GGADRL C[C@H](Cc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1)C(=O)[O-] ZINC001592858997 979679555 /nfs/dbraw/zinc/67/95/55/979679555.db2.gz PEDVHBLOZAGJLQ-CQSZACIVSA-N -2 0 381.428 3.148 20 0 GGADRL C[C@H](Cc1nnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)o1)CC(C)(C)C ZINC001592912476 979879243 /nfs/dbraw/zinc/87/92/43/979879243.db2.gz ICKNJBBXSDJVCM-SNVBAGLBSA-N -2 0 399.444 3.323 20 0 GGADRL C[C@@H](Cc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)o1)CC(C)(C)C ZINC001592912999 979884383 /nfs/dbraw/zinc/88/43/83/979884383.db2.gz RIWRXRUYLOHNOW-JTQLQIEISA-N -2 0 399.444 3.323 20 0 GGADRL O=C([O-])c1ccoc1S(=O)(=O)[N-]C(CCC(F)(F)F)CCC(F)(F)F ZINC000871995269 980027164 /nfs/dbraw/zinc/02/71/64/980027164.db2.gz PNFSHNZWBXBNSI-UHFFFAOYSA-N -2 0 397.293 3.310 20 0 GGADRL CC[C@](NC(=O)c1nn(-c2ccccc2)cc1[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595277183 980304392 /nfs/dbraw/zinc/30/43/92/980304392.db2.gz QAQZSMSYBRDJAF-HXUWFJFHSA-N -2 0 399.834 3.351 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1OCC(C)C ZINC000901860579 980580185 /nfs/dbraw/zinc/58/01/85/980580185.db2.gz MJTANJVLZCWESE-UHFFFAOYSA-N -2 0 379.434 3.229 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(OCC(C)C)c1 ZINC000901861418 980580836 /nfs/dbraw/zinc/58/08/36/980580836.db2.gz SIAIEQWPVHPRLM-UHFFFAOYSA-N -2 0 379.434 3.229 20 0 GGADRL CC[C@H](OC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC001595348897 980650168 /nfs/dbraw/zinc/65/01/68/980650168.db2.gz OTSIQQBDXNNJKK-HNNXBMFYSA-N -2 0 397.836 3.161 20 0 GGADRL CC[C@@H](OC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1)C(=O)[O-] ZINC001595348899 980650194 /nfs/dbraw/zinc/65/01/94/980650194.db2.gz OTSIQQBDXNNJKK-OAHLLOKOSA-N -2 0 397.836 3.161 20 0 GGADRL CC[C@H](c1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)o1)c1ccccc1 ZINC001595364010 980789107 /nfs/dbraw/zinc/78/91/07/980789107.db2.gz MOZRBQHISCEGMR-LBPRGKRZSA-N -2 0 393.446 3.172 20 0 GGADRL CC[C@@H](c1nnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)o1)c1ccccc1 ZINC001595364539 980795082 /nfs/dbraw/zinc/79/50/82/980795082.db2.gz XOPXPTVVKWGDPT-OAHLLOKOSA-N -2 0 387.417 3.111 20 0 GGADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C ZINC000903999251 981079868 /nfs/dbraw/zinc/07/98/68/981079868.db2.gz LFMAUPKLBJSECP-UHFFFAOYSA-N -2 0 382.825 3.106 20 0 GGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)sc2C1 ZINC001595469883 981166229 /nfs/dbraw/zinc/16/62/29/981166229.db2.gz CZRLCLSVWZEYIU-SECBINFHSA-N -2 0 384.454 3.296 20 0 GGADRL CCC[C@H](C)C[C@@H](NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-])C(=O)[O-] ZINC001595571554 981479997 /nfs/dbraw/zinc/47/99/97/981479997.db2.gz SNCPLRPMADVKJO-CMPLNLGQSA-N -2 0 399.490 3.157 20 0 GGADRL CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)c2C1 ZINC001595580476 981517758 /nfs/dbraw/zinc/51/77/58/981517758.db2.gz IBNQGYMWZZBVTN-LBPRGKRZSA-N -2 0 378.450 3.283 20 0 GGADRL CCC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595587328 981540393 /nfs/dbraw/zinc/54/03/93/981540393.db2.gz IZUWSRDYRIFKOZ-INIZCTEOSA-N -2 0 381.494 3.327 20 0 GGADRL CCC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cccc(CC(=O)[O-])c3)sc2C1 ZINC001595623662 981723376 /nfs/dbraw/zinc/72/33/76/981723376.db2.gz XEQYOZWKAGPSCI-GFCCVEGCSA-N -2 0 394.518 3.476 20 0 GGADRL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595632132 981849494 /nfs/dbraw/zinc/84/94/94/981849494.db2.gz AEHBVBHZJLYMMD-JTQLQIEISA-N -2 0 377.409 3.074 20 0 GGADRL CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001595694871 982214232 /nfs/dbraw/zinc/21/42/32/982214232.db2.gz JPOJQDHVBUBULV-LLVKDONJSA-N -2 0 375.874 3.450 20 0 GGADRL CCCCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)s1 ZINC001595727700 982353648 /nfs/dbraw/zinc/35/36/48/982353648.db2.gz IGISRVRMMRQKQS-UHFFFAOYSA-N -2 0 387.458 3.217 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001595748428 982419299 /nfs/dbraw/zinc/41/92/99/982419299.db2.gz ZPRBHDLDLNLJPI-UHFFFAOYSA-N -2 0 383.447 3.140 20 0 GGADRL O=C([O-])CCCCCCNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000916575294 982677590 /nfs/dbraw/zinc/67/75/90/982677590.db2.gz MAQSPRROQRHFTL-UHFFFAOYSA-N -2 0 398.264 3.005 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])sc1C(=O)[O-] ZINC000920245812 982692055 /nfs/dbraw/zinc/69/20/55/982692055.db2.gz RLCHKDCVLOYUQU-UHFFFAOYSA-N -3 0 391.426 3.407 20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001116658953 982932659 /nfs/dbraw/zinc/93/26/59/982932659.db2.gz UUBRSJNWYKWPFY-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)cc1 ZINC001117127924 982937048 /nfs/dbraw/zinc/93/70/48/982937048.db2.gz ZRUCJZHURBTDEE-UHFFFAOYSA-N -2 0 391.232 3.043 20 0 GGADRL CCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2C1 ZINC001595915688 983018749 /nfs/dbraw/zinc/01/87/49/983018749.db2.gz WCCYBSJKKPTKGB-UHFFFAOYSA-N -2 0 378.425 3.050 20 0 GGADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001595950205 983119913 /nfs/dbraw/zinc/11/99/13/983119913.db2.gz OPWHNIFDTNPAGT-UHFFFAOYSA-N -2 0 379.434 3.291 20 0 GGADRL CCCOc1ccc(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)cc1 ZINC001595965525 983167157 /nfs/dbraw/zinc/16/71/57/983167157.db2.gz QBBSWTLJIMDPLV-UHFFFAOYSA-N -2 0 382.463 3.308 20 0 GGADRL CCCOc1cccc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)c1 ZINC001595968650 983184301 /nfs/dbraw/zinc/18/43/01/983184301.db2.gz FBOMXSDKZLSMMV-UHFFFAOYSA-N -2 0 375.446 3.392 20 0 GGADRL CCCc1c(C(=O)Nc2cc(-c3n[nH]c(=O)[n-]3)ccc2C)[nH]c(C)c1C(=O)[O-] ZINC001596045536 983334150 /nfs/dbraw/zinc/33/41/50/983334150.db2.gz HBSGCNWJXPSFCL-UHFFFAOYSA-N -2 0 383.408 3.025 20 0 GGADRL CCCc1ccc(CS(=O)(=O)C(C)=C([O-])c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001596064473 983376678 /nfs/dbraw/zinc/37/66/78/983376678.db2.gz HVXQZGKFHWYPKY-CQSZACIVSA-N -2 0 391.489 3.468 20 0 GGADRL CCCc1ccccc1[N-]S(=O)(=O)c1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC001596070581 983385987 /nfs/dbraw/zinc/38/59/87/983385987.db2.gz NMBIFXOLGNRXQW-UHFFFAOYSA-N -2 0 397.474 3.295 20 0 GGADRL C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cc(O)cc(Br)c1 ZINC001599888890 984670711 /nfs/dbraw/zinc/67/07/11/984670711.db2.gz ZSUGITUSFWPMOA-LLVKDONJSA-N -2 0 378.222 3.270 20 0 GGADRL CCOC(=O)c1cc(CC)sc1[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001596704225 984901826 /nfs/dbraw/zinc/90/18/26/984901826.db2.gz XBIXNDGZCNTUGJ-UHFFFAOYSA-N -2 0 397.474 3.127 20 0 GGADRL CCOC(=O)c1cc(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)ccc1C ZINC001596713469 984934220 /nfs/dbraw/zinc/93/42/20/984934220.db2.gz BKFGFGKCJMJEKJ-UHFFFAOYSA-N -2 0 383.447 3.041 20 0 GGADRL CCOC(=O)c1cc(S(=O)(=O)[N-]c2scc(C)c2C(=O)[O-])ccc1C ZINC001596715167 984944660 /nfs/dbraw/zinc/94/46/60/984944660.db2.gz RIPOPJVUZAHPCK-UHFFFAOYSA-N -2 0 383.447 3.041 20 0 GGADRL CCOC(=O)c1cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)ccc2s1 ZINC001596715846 984946564 /nfs/dbraw/zinc/94/65/64/984946564.db2.gz YIHJDSWAPTWCFN-UHFFFAOYSA-N -2 0 395.414 3.170 20 0 GGADRL Cc1[nH]c(C([O-])=CS(=O)(=O)Cc2ccc(C(C)C)cc2)c(C)c1C(=O)[O-] ZINC001599948083 985562417 /nfs/dbraw/zinc/56/24/17/985562417.db2.gz UCJZASCCCCCUOP-UHFFFAOYSA-N -2 0 377.462 3.251 20 0 GGADRL CC(=O)c1[nH]c(CC(=O)Nc2cc(Cl)cc(Cl)c2[O-])c(C(=O)[O-])c1C ZINC001589244258 985845228 /nfs/dbraw/zinc/84/52/28/985845228.db2.gz LSYYXGNICBLBOG-UHFFFAOYSA-N -2 0 385.203 3.418 20 0 GGADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2N(C)C)c1 ZINC001589284225 986020143 /nfs/dbraw/zinc/02/01/43/986020143.db2.gz WKARYZYMNUXRAY-UHFFFAOYSA-N -2 0 396.852 3.108 20 0 GGADRL CC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)sc2c1 ZINC001589304712 986067352 /nfs/dbraw/zinc/06/73/52/986067352.db2.gz AMQYTFWWKDDHIU-UHFFFAOYSA-N -2 0 382.444 3.059 20 0 GGADRL CCOc1ccc(C[C@H](CNC(=O)c2cccc(Cl)c2[O-])C(=O)[O-])cc1 ZINC001597088464 986662060 /nfs/dbraw/zinc/66/20/60/986662060.db2.gz FQJWXLOOKODLKU-CYBMUJFWSA-N -2 0 377.824 3.118 20 0 GGADRL C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccc(Br)c1[O-])c1ccccc1 ZINC001589462755 986920292 /nfs/dbraw/zinc/92/02/92/986920292.db2.gz SNZSENTUZWMKEF-YGRLFVJLSA-N -2 0 378.222 3.347 20 0 GGADRL C[C@@H](C(=O)[O-])[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1ccccc1 ZINC001589468935 986935211 /nfs/dbraw/zinc/93/52/11/986935211.db2.gz HWGDESAXTZMLJL-PXAZEXFGSA-N -2 0 399.834 3.423 20 0 GGADRL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1ccccc1 ZINC001589468938 986936090 /nfs/dbraw/zinc/93/60/90/986936090.db2.gz HWGDESAXTZMLJL-YVEFUNNKSA-N -2 0 399.834 3.423 20 0 GGADRL C[C@@H](C(=O)[O-])[C@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])c1ccccc1 ZINC001589469671 986945784 /nfs/dbraw/zinc/94/57/84/986945784.db2.gz NKIYLXDVKKIAPO-PXAZEXFGSA-N -2 0 399.834 3.423 20 0 GGADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)c1 ZINC001594722517 987212991 /nfs/dbraw/zinc/21/29/91/987212991.db2.gz RDAFNDGCBCWPEE-UHFFFAOYSA-N -2 0 397.836 3.440 20 0 GGADRL CCSCc1ccnc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC001597267212 987300594 /nfs/dbraw/zinc/30/05/94/987300594.db2.gz HJERFAHUJAZRIO-YVMONPNESA-N -2 0 378.475 3.233 20 0 GGADRL CC(C)(C(=O)[N-]OCCCC(=O)[O-])c1csc(-c2cc(F)ccc2F)n1 ZINC001589574805 987349615 /nfs/dbraw/zinc/34/96/15/987349615.db2.gz MOYIZTCXFYVIMQ-UHFFFAOYSA-N -2 0 384.404 3.279 20 0 GGADRL CC(C)(C(=O)[O-])[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1ccccc1 ZINC001589601014 987424607 /nfs/dbraw/zinc/42/46/07/987424607.db2.gz DVNTVHXAFZFLLX-GOSISDBHSA-N -2 0 397.406 3.299 20 0 GGADRL CCc1[nH]nc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])c1C ZINC001597400028 987660517 /nfs/dbraw/zinc/66/05/17/987660517.db2.gz RKIYBCYXEOTOKO-UHFFFAOYSA-N -2 0 378.237 3.086 20 0 GGADRL CCc1c([O-])nc(SCc2occc2C(=O)[O-])n(-c2ccccc2C)c1=O ZINC001597419598 987724120 /nfs/dbraw/zinc/72/41/20/987724120.db2.gz FMGSKMKDVLKECO-UHFFFAOYSA-N -2 0 386.429 3.392 20 0 GGADRL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001589757338 988073467 /nfs/dbraw/zinc/07/34/67/988073467.db2.gz UENSHRVZNARYFE-SNVBAGLBSA-N -2 0 389.342 3.308 20 0 GGADRL CC(C)(C)C[C@H](OC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC001589761829 988092747 /nfs/dbraw/zinc/09/27/47/988092747.db2.gz NHTLORLBMFLFCD-AWEZNQCLSA-N -2 0 396.237 3.337 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c(C(=O)[O-])c1 ZINC001597557092 988294007 /nfs/dbraw/zinc/29/40/07/988294007.db2.gz WMAYTCCQCLKIAK-UHFFFAOYSA-N -2 0 397.836 3.188 20 0 GGADRL CCc1cccc(C(=O)OC)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001597579377 988379138 /nfs/dbraw/zinc/37/91/38/988379138.db2.gz WYHWDVBFZFVUER-UHFFFAOYSA-N -2 0 397.836 3.188 20 0 GGADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC001597594315 988432870 /nfs/dbraw/zinc/43/28/70/988432870.db2.gz SSHISFSVKRVAPC-UHFFFAOYSA-N -2 0 399.852 3.419 20 0 GGADRL CCc1nc(NC(=O)c2nn(-c3ccccc3CC)cc2[O-])sc1C(=O)[O-] ZINC001597604559 988481335 /nfs/dbraw/zinc/48/13/35/988481335.db2.gz OOEAFIRCOYPEAI-UHFFFAOYSA-N -2 0 386.433 3.110 20 0 GGADRL CSc1ccccc1S(=O)(=O)[N-]c1sc2c(c1C(=O)[O-])CCOC2 ZINC001599826786 988610333 /nfs/dbraw/zinc/61/03/33/988610333.db2.gz ZGGXKDOTQUIEKI-UHFFFAOYSA-N -2 0 385.488 3.042 20 0 GGADRL CCc1[nH]nc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1-c1cccs1 ZINC001597644749 988656785 /nfs/dbraw/zinc/65/67/85/988656785.db2.gz GYDRQLFLDLQQKJ-UHFFFAOYSA-N -2 0 395.437 3.339 20 0 GGADRL CCc1nc([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)sc1C(=O)[O-] ZINC001597685126 988828203 /nfs/dbraw/zinc/82/82/03/988828203.db2.gz BZZZQLRXETVXQN-UHFFFAOYSA-N -2 0 396.490 3.433 20 0 GGADRL CCc1nc(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])sc1C(=O)[O-] ZINC001597685411 988834128 /nfs/dbraw/zinc/83/41/28/988834128.db2.gz OSSCZLKJGGSQNN-UHFFFAOYSA-N -2 0 392.824 3.201 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(OC)cc1OC ZINC001597785233 989301436 /nfs/dbraw/zinc/30/14/36/989301436.db2.gz DVIULSWPKZTCIU-UHFFFAOYSA-N -2 0 389.813 3.012 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2sc(C)nc2cc1OC ZINC001597785690 989305628 /nfs/dbraw/zinc/30/56/28/989305628.db2.gz NPRUEMUZCIDLSE-UHFFFAOYSA-N -2 0 396.446 3.268 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccc(C)s2)[nH]n1 ZINC001597785931 989308070 /nfs/dbraw/zinc/30/80/70/989308070.db2.gz UWEYVGULQKAKFS-UHFFFAOYSA-N -2 0 381.435 3.101 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccc(C(C)=O)cc2s1 ZINC001597790644 989313543 /nfs/dbraw/zinc/31/35/43/989313543.db2.gz GFQDFDVFHKNZGG-UHFFFAOYSA-N -2 0 394.430 3.153 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C2CCCCC2)cc1C ZINC001597790796 989316847 /nfs/dbraw/zinc/31/68/47/989316847.db2.gz KICKGTGLLPEXGM-UHFFFAOYSA-N -2 0 381.454 3.351 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Br)c1C ZINC001597791754 989325625 /nfs/dbraw/zinc/32/56/25/989325625.db2.gz RZTYZHQBNNWVDM-UHFFFAOYSA-N -2 0 388.239 3.412 20 0 GGADRL CC(C)(C)Oc1c(F)cc([N-]S(=O)(=O)c2occc2C(=O)[O-])cc1F ZINC001590407800 989937401 /nfs/dbraw/zinc/93/74/01/989937401.db2.gz JPBOFQFXNVVVBN-UHFFFAOYSA-N -2 0 375.349 3.234 20 0 GGADRL CCn1ncc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3C(=O)[O-])cc21 ZINC001597962740 989994621 /nfs/dbraw/zinc/99/46/21/989994621.db2.gz NINSQZZEJZIYKW-UHFFFAOYSA-N -2 0 379.825 3.209 20 0 GGADRL CC(C)(C)c1ccc([C@H]([N-]S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C(F)(F)F)cc1 ZINC001590480309 990062840 /nfs/dbraw/zinc/06/28/40/990062840.db2.gz OCYCDFBIRPJMSO-YUTCNCBUSA-N -2 0 393.427 3.370 20 0 GGADRL CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)c1O ZINC001590499063 990111226 /nfs/dbraw/zinc/11/12/26/990111226.db2.gz PNORQHCUHVOIIM-UHFFFAOYSA-N -2 0 381.425 3.257 20 0 GGADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])no1 ZINC001590545246 990179753 /nfs/dbraw/zinc/17/97/53/990179753.db2.gz AGEZTWYGODGIIV-UHFFFAOYSA-N -2 0 394.236 3.173 20 0 GGADRL CC(C)(C)c1nc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)sc1C(=O)[O-] ZINC001590545355 990180485 /nfs/dbraw/zinc/18/04/85/990180485.db2.gz FMJIKLBIHQEJQA-UHFFFAOYSA-N -2 0 394.474 3.314 20 0 GGADRL CC(C)(C)c1nc(NC(=O)CSc2n[n-]c(=S)s2)sc1C(=O)[O-] ZINC001590545464 990181798 /nfs/dbraw/zinc/18/17/98/990181798.db2.gz WRJULWVRZZEAGR-UHFFFAOYSA-N -2 0 390.537 3.010 20 0 GGADRL CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc2[nH]1 ZINC001590545790 990184616 /nfs/dbraw/zinc/18/46/16/990184616.db2.gz OUTITNPXPWEUMI-UHFFFAOYSA-N -2 0 391.424 3.499 20 0 GGADRL CC(C)(CS(=O)(=O)[N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(=O)[O-] ZINC001590798814 990624603 /nfs/dbraw/zinc/62/46/03/990624603.db2.gz FDNUDOXUGVMVMP-SNVBAGLBSA-N 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CC(C)[C@@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001590976042 991121555 /nfs/dbraw/zinc/12/15/55/991121555.db2.gz KBAGCUKHNMTKRI-GOSISDBHSA-N -2 0 389.473 3.161 20 0 GGADRL CC(C)C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001591121425 991795192 /nfs/dbraw/zinc/79/51/92/991795192.db2.gz VUIBCVBNITZEHB-GOSISDBHSA-N -2 0 389.473 3.161 20 0 GGADRL CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(Br)c(F)cc1[O-] ZINC001598512203 992576054 /nfs/dbraw/zinc/57/60/54/992576054.db2.gz TZISMJBYRSFQCJ-UHFFFAOYSA-N -2 0 382.185 3.264 20 0 GGADRL CC(C)Cc1cccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC001591488962 992617946 /nfs/dbraw/zinc/61/79/46/992617946.db2.gz LNBMAEZBEAODQG-GFCCVEGCSA-N -2 0 395.502 3.253 20 0 GGADRL CC(C)Cc1cccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001591489549 992620664 /nfs/dbraw/zinc/62/06/64/992620664.db2.gz VMOITFMHKUOXEO-CQSZACIVSA-N -2 0 389.473 3.192 20 0 GGADRL CN(Cc1nc(=O)c2sccc2[n-]1)c1cc(C(F)(F)F)c(C(=O)[O-])cn1 ZINC001598538122 992864836 /nfs/dbraw/zinc/86/48/36/992864836.db2.gz DYSQFSJVUKAVIX-UHFFFAOYSA-N -2 0 384.339 3.145 20 0 GGADRL CC(C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2C1 ZINC001591635864 992946535 /nfs/dbraw/zinc/94/65/35/992946535.db2.gz SHFTZNAVCRQZJE-UHFFFAOYSA-N -2 0 378.425 3.049 20 0 GGADRL COc1ccc(NC(=O)c2cc(Br)c(F)cc2[O-])c(C(=O)[O-])c1 ZINC001599593601 993720367 /nfs/dbraw/zinc/72/03/67/993720367.db2.gz GOJSXUKIUPUGPN-UHFFFAOYSA-N -2 0 384.157 3.253 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c(C(F)(F)F)c1 ZINC001599597829 993771980 /nfs/dbraw/zinc/77/19/80/993771980.db2.gz AVLIXUNMKMAYHU-UHFFFAOYSA-N -2 0 393.339 3.423 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)c(C(F)(F)F)c1 ZINC001599598212 993776645 /nfs/dbraw/zinc/77/66/45/993776645.db2.gz PZIQAUQVLRTTHG-UHFFFAOYSA-N -2 0 379.312 3.114 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])c2cccnc12 ZINC001599598364 993779174 /nfs/dbraw/zinc/77/91/74/993779174.db2.gz ZVQSRFSOOFDMNO-UHFFFAOYSA-N -2 0 378.431 3.112 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1Cc1ccccc1 ZINC001599598573 993781741 /nfs/dbraw/zinc/78/17/41/993781741.db2.gz AYCJYFDUWOHAPZ-UHFFFAOYSA-N -2 0 398.440 3.180 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)cc1F ZINC001599598625 993782503 /nfs/dbraw/zinc/78/25/03/993782503.db2.gz JZVHKKQABPTLDI-UHFFFAOYSA-N -2 0 379.818 3.357 20 0 GGADRL COc1ccc(S(=O)(=O)Nc2cc(F)cc(C(=O)[O-])c2F)c2cccnc12 ZINC001599616891 994026967 /nfs/dbraw/zinc/02/69/67/994026967.db2.gz VKRFIALVOSZULS-UHFFFAOYSA-N -2 0 394.355 3.021 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)c(F)c1 ZINC001599617732 994038375 /nfs/dbraw/zinc/03/83/75/994038375.db2.gz VSYINZJLTLBIRY-UHFFFAOYSA-N -2 0 399.465 3.343 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1Br ZINC001599617765 994039644 /nfs/dbraw/zinc/03/96/44/994039644.db2.gz BGTLLUCKBVYUQB-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL C[C@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593175256 994043685 /nfs/dbraw/zinc/04/36/85/994043685.db2.gz JVKIXUURXXOMIZ-SMDDNHRTSA-N -2 0 381.350 3.473 20 0 GGADRL C[C@@]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)(c1ccccc1)C(F)(F)F ZINC001593325680 994867778 /nfs/dbraw/zinc/86/77/78/994867778.db2.gz KGUYBOIQDRUWCO-MRXNPFEDSA-N -2 0 387.379 3.282 20 0 GGADRL C[C@]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)(C1CC1)C(F)(F)F ZINC001593326670 994880657 /nfs/dbraw/zinc/88/06/57/994880657.db2.gz NSSZIMLPXIJIGT-LBPRGKRZSA-N -2 0 389.754 3.187 20 0 GGADRL COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(C(C)C)cc1C(=O)[O-] ZINC001599682935 995012037 /nfs/dbraw/zinc/01/20/37/995012037.db2.gz VQCDYRQBXFCQOS-UHFFFAOYSA-N -2 0 379.434 3.326 20 0 GGADRL C[C@@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])co1 ZINC001593694296 996149981 /nfs/dbraw/zinc/14/99/81/996149981.db2.gz WBBBGBGZKHYPIE-ZETCQYMHSA-N -2 0 392.216 3.105 20 0 GGADRL CC1(C)[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])C1(F)F ZINC001593831358 996576271 /nfs/dbraw/zinc/57/62/71/996576271.db2.gz YNIZUVMRHOMRJI-SECBINFHSA-N -2 0 388.219 3.261 20 0 GGADRL CC1(C)CCc2nc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])sc2C1 ZINC001593916624 996820326 /nfs/dbraw/zinc/82/03/26/996820326.db2.gz TWJANVUSRRDJIB-UHFFFAOYSA-N -2 0 384.454 3.296 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC001599383412 996898893 /nfs/dbraw/zinc/89/88/93/996898893.db2.gz DCLIIZMGVVNTHT-UHFFFAOYSA-N -2 0 379.434 3.119 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(CCC(C)C)cn1 ZINC001599383449 996900064 /nfs/dbraw/zinc/90/00/64/996900064.db2.gz FHYHPKZBNBTDOO-UHFFFAOYSA-N -2 0 378.450 3.178 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC001599384254 996914788 /nfs/dbraw/zinc/91/47/88/996914788.db2.gz WZGBSVGHKTVXJA-UHFFFAOYSA-N -2 0 379.434 3.119 20 0 GGADRL COC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])c1C ZINC001598887787 996931598 /nfs/dbraw/zinc/93/15/98/996931598.db2.gz DXGYWIBEEUHAJG-UHFFFAOYSA-N -2 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ZINC001593969244 997130593 /nfs/dbraw/zinc/13/05/93/997130593.db2.gz GCDAMOOWYIWLAT-OAHLLOKOSA-N -2 0 375.446 3.010 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2cc(F)c(C)cc2s1 ZINC001599503549 997170300 /nfs/dbraw/zinc/17/03/00/997170300.db2.gz YZMHITDHTSCNNM-UHFFFAOYSA-N -2 0 396.421 3.251 20 0 GGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2N)cc1Cl ZINC001599419981 997577197 /nfs/dbraw/zinc/57/71/97/997577197.db2.gz SWRBCKJCJNXAAM-UHFFFAOYSA-N -2 0 391.232 3.083 20 0 GGADRL COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1nc(C(=O)[O-])c(C(C)C)s1 ZINC001599425426 997666021 /nfs/dbraw/zinc/66/60/21/997666021.db2.gz AQEQTEUFCKUYAN-UHFFFAOYSA-N -2 0 392.405 3.052 20 0 GGADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1c(Cl)cccc1C(=O)[O-] ZINC001599425862 997674084 /nfs/dbraw/zinc/67/40/84/997674084.db2.gz OQWOJUZENDQCTG-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC001599329650 997726205 /nfs/dbraw/zinc/72/62/05/997726205.db2.gz 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ZINC001599459327 998243123 /nfs/dbraw/zinc/24/31/23/998243123.db2.gz JUIXWUHJTSIIHE-UHFFFAOYSA-N -2 0 392.820 3.396 20 0 GGADRL COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001599252527 998256389 /nfs/dbraw/zinc/25/63/89/998256389.db2.gz NDHWUUBCQPWVAK-UHFFFAOYSA-N -2 0 399.852 3.173 20 0 GGADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC001598967346 998446787 /nfs/dbraw/zinc/44/67/87/998446787.db2.gz BJWGZFCBHLTNAI-UHFFFAOYSA-N -2 0 377.418 3.096 20 0 GGADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)c1 ZINC001599577075 998461971 /nfs/dbraw/zinc/46/19/71/998461971.db2.gz GBGBGCKNFPZBDX-UHFFFAOYSA-N -2 0 388.854 3.182 20 0 GGADRL COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc(SC)c(C(=O)[O-])c3)n2)cc1 ZINC001599473829 998494639 /nfs/dbraw/zinc/49/46/39/998494639.db2.gz QEHCBFNHDVKGKQ-UHFFFAOYSA-N -2 0 399.428 3.259 20 0 GGADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1O ZINC001599579560 998504388 /nfs/dbraw/zinc/50/43/88/998504388.db2.gz 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/nfs/dbraw/zinc/41/53/34/564415334.db2.gz MKQCYLYHJPALJQ-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000042796568 564451156 /nfs/dbraw/zinc/45/11/56/564451156.db2.gz KMBZZXBSJBBAQF-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000045799159 564489447 /nfs/dbraw/zinc/48/94/47/564489447.db2.gz MNPOFGYJHHOIIX-UHFFFAOYSA-N -2 0 382.419 3.124 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1OCC ZINC000045946648 564491717 /nfs/dbraw/zinc/49/17/17/564491717.db2.gz KWSZRVKIDYCENG-UHFFFAOYSA-N -2 0 385.463 3.353 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)sc1C(=O)[O-] ZINC000048382674 564538296 /nfs/dbraw/zinc/53/82/96/564538296.db2.gz ZQPRKHSAPHQSHM-UHFFFAOYSA-N -2 0 381.353 3.296 20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1sccc1Br ZINC000049060828 564548780 /nfs/dbraw/zinc/54/87/80/564548780.db2.gz TYAQDTZFNFWDEW-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000055572996 564624655 /nfs/dbraw/zinc/62/46/55/564624655.db2.gz ZZUKNSPAYUGNER-UHFFFAOYSA-N -2 0 383.447 3.157 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000057178071 564662816 /nfs/dbraw/zinc/66/28/16/564662816.db2.gz JFKMOIODAZAZHX-UHFFFAOYSA-N -2 0 391.188 3.401 20 0 GGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000060442084 564698524 /nfs/dbraw/zinc/69/85/24/564698524.db2.gz QDIFGORVWMIOOT-UHFFFAOYSA-N -2 0 377.365 3.325 20 0 GGADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1sccc1Br ZINC000061564282 564706842 /nfs/dbraw/zinc/70/68/42/564706842.db2.gz KNJSGNIRYDRCTI-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c(Cl)c1 ZINC000132780539 564753119 /nfs/dbraw/zinc/75/31/19/564753119.db2.gz ARFBYEBGZXWWAU-UHFFFAOYSA-N -2 0 378.793 3.494 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)sc1C(=O)[O-] ZINC000066585689 564770354 /nfs/dbraw/zinc/77/03/54/564770354.db2.gz RHEAYPSENOSGME-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCSC)cc1 ZINC000067899612 564802776 /nfs/dbraw/zinc/80/27/76/564802776.db2.gz MCYSDBVOANKFOS-UHFFFAOYSA-N -2 0 381.475 3.100 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)sc1C(=O)[O-] ZINC000068397547 564818242 /nfs/dbraw/zinc/81/82/42/564818242.db2.gz JEACGHVLDSOKCK-UHFFFAOYSA-N -2 0 381.475 3.482 20 0 GGADRL CC1CCN(c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)CC1 ZINC000070825921 564852039 /nfs/dbraw/zinc/85/20/39/564852039.db2.gz LTIHMUFIXHDIRU-UHFFFAOYSA-N -2 0 380.491 3.483 20 0 GGADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000078870085 564865108 /nfs/dbraw/zinc/86/51/08/564865108.db2.gz FVOHOBDTSLKWAM-UHFFFAOYSA-N -2 0 388.214 3.016 20 0 GGADRL Cc1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000078938530 564865935 /nfs/dbraw/zinc/86/59/35/564865935.db2.gz MVNGLRGEWNHSDQ-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccsc1 ZINC000147532336 564883108 /nfs/dbraw/zinc/88/31/08/564883108.db2.gz JCMCGZNGNCOWLR-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C)sc1C(=O)[O-] ZINC000152599369 564965504 /nfs/dbraw/zinc/96/55/04/564965504.db2.gz NDTLSXJLQWHNRL-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1C(=O)[O-] ZINC000154461492 565040133 /nfs/dbraw/zinc/04/01/33/565040133.db2.gz VSBKNXBMIANHCI-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2F)ccc1C(=O)[O-] ZINC000154461133 565040210 /nfs/dbraw/zinc/04/02/10/565040210.db2.gz KOOBZNZXKDTCHH-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000156377554 565084471 /nfs/dbraw/zinc/08/44/71/565084471.db2.gz CXNLAZTWGNEEFB-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000184745260 565155657 /nfs/dbraw/zinc/15/56/57/565155657.db2.gz INTKVYQIZFPHQZ-UHFFFAOYSA-N -2 0 382.747 3.196 20 0 GGADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000185569889 565208781 /nfs/dbraw/zinc/20/87/81/565208781.db2.gz PSGYIHLEDLQTTB-UHFFFAOYSA-N -2 0 388.214 3.016 20 0 GGADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1 ZINC000185570235 565209018 /nfs/dbraw/zinc/20/90/18/565209018.db2.gz GFUZCGAQSQLXJZ-UHFFFAOYSA-N -2 0 377.315 3.272 20 0 GGADRL Cc1cc(Br)cc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000185976581 565232855 /nfs/dbraw/zinc/23/28/55/565232855.db2.gz OWUPMQVLZKNARJ-UHFFFAOYSA-N -2 0 384.251 3.185 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1C(=O)[O-] ZINC000271005216 565235381 /nfs/dbraw/zinc/23/53/81/565235381.db2.gz CKTIIDFPQVNRJK-UHFFFAOYSA-N -2 0 379.463 3.013 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2F)ccc1Br ZINC000161743781 565292775 /nfs/dbraw/zinc/29/27/75/565292775.db2.gz TWEOZRHNTBVVIU-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)s1 ZINC000166572289 565376206 /nfs/dbraw/zinc/37/62/06/565376206.db2.gz CIYBJULMQAZSJM-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(Cl)c1 ZINC000170647318 565384399 /nfs/dbraw/zinc/38/43/99/565384399.db2.gz ULGZTMVIIWPEMF-UHFFFAOYSA-N -2 0 384.841 3.341 20 0 GGADRL CC(C)[C@@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC000298375653 565410623 /nfs/dbraw/zinc/41/06/23/565410623.db2.gz GBQITAKMWVEPAA-GFCCVEGCSA-N -2 0 382.507 3.371 20 0 GGADRL Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000298866017 565432272 /nfs/dbraw/zinc/43/22/72/565432272.db2.gz RHQDCWCVJOVDED-UHFFFAOYSA-N -2 0 382.463 3.150 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(NS(C)(=O)=O)c2)sc1Cl ZINC000190221140 565516071 /nfs/dbraw/zinc/51/60/71/565516071.db2.gz AQXWYJAHFGHMLF-UHFFFAOYSA-N -2 0 398.890 3.021 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1C ZINC000190383322 565528034 /nfs/dbraw/zinc/52/80/34/565528034.db2.gz JBVIKXFLGYUSHW-UHFFFAOYSA-N -2 0 392.202 3.297 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000391799791 565562804 /nfs/dbraw/zinc/56/28/04/565562804.db2.gz RQYPUPMRJJLIOY-UHFFFAOYSA-N -2 0 382.747 3.196 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccn2)sc1C(=O)[O-] ZINC000190840572 565562967 /nfs/dbraw/zinc/56/29/67/565562967.db2.gz YIKLAIFTGVLTMP-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccn2)c1 ZINC000190841395 565563212 /nfs/dbraw/zinc/56/32/12/565563212.db2.gz NWLQIKOZMFJNQU-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)c[nH]1 ZINC000391773305 565563179 /nfs/dbraw/zinc/56/31/79/565563179.db2.gz LWFYXXXHXFFGLM-UHFFFAOYSA-N -2 0 380.369 3.168 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000393114812 565568871 /nfs/dbraw/zinc/56/88/71/565568871.db2.gz XJTUUFPMJITYDM-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)c1F ZINC000313215557 565583468 /nfs/dbraw/zinc/58/34/68/565583468.db2.gz DKRBLJRKCQNEAS-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1Br ZINC000316707078 565593224 /nfs/dbraw/zinc/59/32/24/565593224.db2.gz JPOFSTIUBINGCE-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1cc(Br)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1F ZINC000320506305 565602224 /nfs/dbraw/zinc/60/22/24/565602224.db2.gz KRMNPHZOFGALBK-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000321741492 565606888 /nfs/dbraw/zinc/60/68/88/565606888.db2.gz KTCHLHKUZCJDEQ-UHFFFAOYSA-N -2 0 399.266 3.007 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)cc1C(=O)[O-] ZINC000322913093 565611809 /nfs/dbraw/zinc/61/18/09/565611809.db2.gz TWRBBKIHHWSUDG-UHFFFAOYSA-N -2 0 381.212 3.453 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1O ZINC000323386057 565614079 /nfs/dbraw/zinc/61/40/79/565614079.db2.gz QNMMCSHIWKKIMD-UHFFFAOYSA-N -2 0 380.180 3.337 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC000324795256 565618711 /nfs/dbraw/zinc/61/87/11/565618711.db2.gz LEBQJUJTGXFQDP-UHFFFAOYSA-N -2 0 381.353 3.275 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1C(=O)[O-] ZINC000326687765 565625051 /nfs/dbraw/zinc/62/50/51/565625051.db2.gz PTNJBSCCALTUQS-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000327019329 565627490 /nfs/dbraw/zinc/62/74/90/565627490.db2.gz SHCNVCQOJOARHF-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC000327195651 565627962 /nfs/dbraw/zinc/62/79/62/565627962.db2.gz BTDLMASJCZXQMH-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(OC)cc1Cl ZINC000327324377 565629669 /nfs/dbraw/zinc/62/96/69/565629669.db2.gz DBFQNLMOLYPRPT-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000327383863 565630551 /nfs/dbraw/zinc/63/05/51/565630551.db2.gz GTCKSUWJGNAPNA-UHFFFAOYSA-N -2 0 385.463 3.353 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)ccc1C(=O)[O-] ZINC000327687182 565632320 /nfs/dbraw/zinc/63/23/20/565632320.db2.gz QFOYSYLJKJMXRP-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1F ZINC000327916566 565633280 /nfs/dbraw/zinc/63/32/80/565633280.db2.gz LCMXRXINFZMLTI-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1OC ZINC000327884876 565633477 /nfs/dbraw/zinc/63/34/77/565633477.db2.gz DHTZOIHSSIHMRA-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc2O1 ZINC000327726204 565633502 /nfs/dbraw/zinc/63/35/02/565633502.db2.gz GWQQWJFBRWXJQC-UHFFFAOYSA-N -2 0 383.809 3.346 20 0 GGADRL CCOc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1OC ZINC000327869742 565633750 /nfs/dbraw/zinc/63/37/50/565633750.db2.gz WUICVFSNVTWTKN-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL Cc1ccc(-n2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cn2)c(C)c1 ZINC000191898982 565641931 /nfs/dbraw/zinc/64/19/31/565641931.db2.gz LNNQKEIUMHZOKX-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000410365400 565679241 /nfs/dbraw/zinc/67/92/41/565679241.db2.gz JWFDQHGGCNTCRD-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2F)cc1C(=O)[O-] ZINC000410378397 565680669 /nfs/dbraw/zinc/68/06/69/565680669.db2.gz CJCCPGJQRCYLQG-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000410425591 565685969 /nfs/dbraw/zinc/68/59/69/565685969.db2.gz KSQNEYLIOFGJRX-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c(Br)c1 ZINC000193475268 565753825 /nfs/dbraw/zinc/75/38/25/565753825.db2.gz AOUOQBDNTZGFOR-UHFFFAOYSA-N -2 0 395.234 3.429 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cnn1C1CCCC1 ZINC000194223020 565802494 /nfs/dbraw/zinc/80/24/94/565802494.db2.gz PMCQHKSCOGUKJC-UHFFFAOYSA-N -2 0 383.857 3.459 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)c(Cl)cc1Cl ZINC000285037053 565884738 /nfs/dbraw/zinc/88/47/38/565884738.db2.gz JKEDLHWJGWBSRJ-UHFFFAOYSA-N -2 0 390.248 3.025 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnoc2C2CC2)cc1C(F)(F)F ZINC000414387506 565921326 /nfs/dbraw/zinc/92/13/26/565921326.db2.gz JNYDBKLOQRIGCZ-UHFFFAOYSA-N -2 0 376.312 3.070 20 0 GGADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000229620308 565927572 /nfs/dbraw/zinc/92/75/72/565927572.db2.gz FTMGRHVFXDHZAI-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2ncsc2C(C)C)c(Cl)cc1C(=O)[O-] ZINC000288305304 566067320 /nfs/dbraw/zinc/06/73/20/566067320.db2.gz SWCFBVBFTGSAQY-UHFFFAOYSA-N -2 0 390.870 3.428 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(F)c(Br)c(F)c2)c1 ZINC000180657632 566079308 /nfs/dbraw/zinc/07/93/08/566079308.db2.gz PDSUAQSXNCZEDZ-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL O=C([O-])CCCCCNC(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000417719282 566173156 /nfs/dbraw/zinc/17/31/56/566173156.db2.gz CPYGNDYEYCXWBR-UHFFFAOYSA-N -2 0 380.495 3.019 20 0 GGADRL O=C([N-]C[C@@H]1CCCN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1)C(F)(F)F ZINC000290885428 566193589 /nfs/dbraw/zinc/19/35/89/566193589.db2.gz CEDSKHWBTBJGAB-QMMMGPOBSA-N -2 0 399.196 3.230 20 0 GGADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(SC)c1 ZINC000509089291 566260831 /nfs/dbraw/zinc/26/08/31/566260831.db2.gz ISEKRNCHWGYRDQ-UHFFFAOYSA-N -2 0 381.475 3.235 20 0 GGADRL Cc1ncc(S(=O)(=O)[N-]c2cc(Br)c(C)c(C(=O)[O-])c2)s1 ZINC000556351046 566288985 /nfs/dbraw/zinc/28/89/85/566288985.db2.gz SBODEIZTECLNKP-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(F)F)sc1C(=O)[O-] ZINC000535508441 566308687 /nfs/dbraw/zinc/30/86/87/566308687.db2.gz QDAOINTULFOTNJ-UHFFFAOYSA-N -2 0 393.437 3.346 20 0 GGADRL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)c1C(=O)[O-] ZINC000535597259 566313321 /nfs/dbraw/zinc/31/33/21/566313321.db2.gz GZDIFUKHRFWOGT-UHFFFAOYSA-N -2 0 378.303 3.047 20 0 GGADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000509656952 566326005 /nfs/dbraw/zinc/32/60/05/566326005.db2.gz IWFSMXIQPDOWGJ-UHFFFAOYSA-N -2 0 377.752 3.440 20 0 GGADRL O=C([O-])c1ccc([C@@H]([N-]S(=O)(=O)CCc2cccs2)C(F)(F)F)cc1 ZINC000576224609 566326273 /nfs/dbraw/zinc/32/62/73/566326273.db2.gz ZNHXZCGMPPMTFT-CYBMUJFWSA-N -2 0 393.408 3.212 20 0 GGADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000446620018 566359618 /nfs/dbraw/zinc/35/96/18/566359618.db2.gz LRSUSEMIZLXJFE-UHFFFAOYSA-N -2 0 379.463 3.421 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(F)(F)F ZINC000576582501 566360345 /nfs/dbraw/zinc/36/03/45/566360345.db2.gz SAHLKJBILGHJHH-VIFPVBQESA-N -2 0 389.417 3.100 20 0 GGADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000446643992 566360584 /nfs/dbraw/zinc/36/05/84/566360584.db2.gz XNIUANBNBSGFFE-UHFFFAOYSA-N -2 0 385.438 3.364 20 0 GGADRL Cc1ccc(F)c([N-]S(=O)(=O)c2sccc2Br)c1C(=O)[O-] ZINC000536389395 566369801 /nfs/dbraw/zinc/36/98/01/566369801.db2.gz SMFYECOTHUFILU-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)c1 ZINC000447261686 566398032 /nfs/dbraw/zinc/39/80/32/566398032.db2.gz AHBXTVNXFFABMA-UHFFFAOYSA-N -2 0 385.316 3.127 20 0 GGADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000484499210 566432192 /nfs/dbraw/zinc/43/21/92/566432192.db2.gz LNBWYZNTZXMWPW-UHFFFAOYSA-N -2 0 388.214 3.016 20 0 GGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1OC ZINC000447790965 566432658 /nfs/dbraw/zinc/43/26/58/566432658.db2.gz DRJZYLNOIDNAQO-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000463791025 566434814 /nfs/dbraw/zinc/43/48/14/566434814.db2.gz VRHDRUQSMACFOS-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c(F)c1 ZINC000671663543 566435097 /nfs/dbraw/zinc/43/50/97/566435097.db2.gz WKCQDQXJUFQWBY-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(F)ccc2OCC(F)(F)F)c1 ZINC000511089450 566436274 /nfs/dbraw/zinc/43/62/74/566436274.db2.gz KOTKMCUHWXWCDA-UHFFFAOYSA-N -2 0 399.343 3.327 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)nn1-c1cccc(Cl)c1 ZINC000537393598 566444024 /nfs/dbraw/zinc/44/40/24/566444024.db2.gz DPTPPWSNZAXJSD-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000537728024 566465961 /nfs/dbraw/zinc/46/59/61/566465961.db2.gz AEIWOEPLGQQUKY-UHFFFAOYSA-N -2 0 393.223 3.462 20 0 GGADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000484973804 566466683 /nfs/dbraw/zinc/46/66/83/566466683.db2.gz KEVDRGBJSNRVOJ-UHFFFAOYSA-N -2 0 381.475 3.235 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2ccc3scnc3c2)c(Cl)cc1C(=O)[O-] ZINC000485261285 566486310 /nfs/dbraw/zinc/48/63/10/566486310.db2.gz FWHMKXLLZYMELF-UHFFFAOYSA-N -2 0 398.849 3.457 20 0 GGADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485293991 566487568 /nfs/dbraw/zinc/48/75/68/566487568.db2.gz OQGMKYYXLFWCHC-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c(Cl)cc1C(=O)[O-] ZINC000485289025 566487585 /nfs/dbraw/zinc/48/75/85/566487585.db2.gz HKDVGVQRAGFTLQ-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c(Cl)cc1C(=O)[O-] ZINC000485284351 566488058 /nfs/dbraw/zinc/48/80/58/566488058.db2.gz ZSGRLPJQEMIAAU-UHFFFAOYSA-N -2 0 381.837 3.336 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)cc1 ZINC000485271076 566488179 /nfs/dbraw/zinc/48/81/79/566488179.db2.gz KXRVLTYRBGGQON-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL CC(C)(CCNC(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1)C(=O)[O-] ZINC000424389513 566532842 /nfs/dbraw/zinc/53/28/42/566532842.db2.gz LDVOFBIDSCMSLI-UHFFFAOYSA-N -2 0 386.836 3.042 20 0 GGADRL CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1Cl ZINC000603988001 566548747 /nfs/dbraw/zinc/54/87/47/566548747.db2.gz VCDHAAPTFOVEFP-UHFFFAOYSA-N -2 0 389.838 3.077 20 0 GGADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)s1 ZINC000486069753 566554998 /nfs/dbraw/zinc/55/49/98/566554998.db2.gz CWBRMBUOTHEBMP-UHFFFAOYSA-N -2 0 396.368 3.158 20 0 GGADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1 ZINC000486090453 566556446 /nfs/dbraw/zinc/55/64/46/566556446.db2.gz DUEVOFMROQHIOU-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000512795130 566557160 /nfs/dbraw/zinc/55/71/60/566557160.db2.gz OKMRFJFFCMHVNC-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nn1-c1cccc(Cl)c1 ZINC000539597895 566590125 /nfs/dbraw/zinc/59/01/25/566590125.db2.gz VOFHZZBKOWLBMT-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)sc1C(=O)[O-] ZINC000513360106 566597374 /nfs/dbraw/zinc/59/73/74/566597374.db2.gz YOXLECFHOVXVHP-UHFFFAOYSA-N -2 0 377.390 3.465 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 ZINC000674755142 566607103 /nfs/dbraw/zinc/60/71/03/566607103.db2.gz MAQSDNWGNBUGNO-UHFFFAOYSA-N -2 0 377.809 3.229 20 0 GGADRL Cc1ccc(SCC(F)(F)F)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000605654519 566617564 /nfs/dbraw/zinc/61/75/64/566617564.db2.gz QOHYMKXICRHVBD-UHFFFAOYSA-N -2 0 394.396 3.477 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cccc3ccsc32)cc1CC(=O)[O-] ZINC000540295513 566641986 /nfs/dbraw/zinc/64/19/86/566641986.db2.gz DWMLVAQIEIUYFO-UHFFFAOYSA-N -2 0 377.443 3.338 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000629338215 566645797 /nfs/dbraw/zinc/64/57/97/566645797.db2.gz DBCSVJMFYKDLRM-NSHDSACASA-N -2 0 387.866 3.074 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1C(F)(F)F ZINC000467752914 566661257 /nfs/dbraw/zinc/66/12/57/566661257.db2.gz ICSMGIQPHXSNKE-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(OCC(F)F)c1 ZINC000467757277 566662709 /nfs/dbraw/zinc/66/27/09/566662709.db2.gz HSXAFWNMLYZESA-UHFFFAOYSA-N -2 0 375.349 3.039 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(O)c1 ZINC000467761506 566662828 /nfs/dbraw/zinc/66/28/28/566662828.db2.gz AAAQRFMSGJOZSA-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653493513 566672464 /nfs/dbraw/zinc/67/24/64/566672464.db2.gz YWPQRRTYFVLXPE-XHNCKOQMSA-N -2 0 381.828 3.032 20 0 GGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000607610919 566675791 /nfs/dbraw/zinc/67/57/91/566675791.db2.gz JUTQCWYTLXPCPC-UHFFFAOYSA-N -2 0 377.365 3.325 20 0 GGADRL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(F)F ZINC000580361054 566686223 /nfs/dbraw/zinc/68/62/23/566686223.db2.gz RNAZWKOIRBQRHG-RXMQYKEDSA-N -2 0 396.626 3.281 20 0 GGADRL CC(C)c1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c[nH]1 ZINC000608007586 566689830 /nfs/dbraw/zinc/68/98/30/566689830.db2.gz PUYPDEMWRGBVCH-UHFFFAOYSA-N -2 0 377.344 3.051 20 0 GGADRL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(F)(F)F ZINC000580474019 566696129 /nfs/dbraw/zinc/69/61/29/566696129.db2.gz AIGBIOMCQUNKRN-RXMQYKEDSA-N -2 0 398.161 3.064 20 0 GGADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000677234819 566732307 /nfs/dbraw/zinc/73/23/07/566732307.db2.gz MWPQUJXFHPOSCD-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)c(Cl)c1 ZINC000541804541 566749056 /nfs/dbraw/zinc/74/90/56/566749056.db2.gz IPCQLBTVFQEOTL-UHFFFAOYSA-N -2 0 395.849 3.358 20 0 GGADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)cc1)C(=O)[O-] ZINC000541803412 566749355 /nfs/dbraw/zinc/74/93/55/566749355.db2.gz AXHAUOCAUPHFKI-LLVKDONJSA-N -2 0 376.459 3.360 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1csc(-c2ccccn2)n1 ZINC000541807172 566751368 /nfs/dbraw/zinc/75/13/68/566751368.db2.gz CTSIUWOSAJYANO-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000516333733 566757581 /nfs/dbraw/zinc/75/75/81/566757581.db2.gz PPYVWYUFQWQWGH-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000469202255 566770734 /nfs/dbraw/zinc/77/07/34/566770734.db2.gz MWWNFZHJTWBCGV-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL Cc1ccc(NS(C)(=O)=O)c(NS(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000581510347 566782703 /nfs/dbraw/zinc/78/27/03/566782703.db2.gz PEIXRPBVVFOFMH-UHFFFAOYSA-N -2 0 390.433 3.105 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)cc1F ZINC000489562873 566796887 /nfs/dbraw/zinc/79/68/87/566796887.db2.gz MIMQGCUMDAHFOO-UHFFFAOYSA-N -2 0 379.287 3.065 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c(Cl)c1 ZINC000489694279 566803937 /nfs/dbraw/zinc/80/39/37/566803937.db2.gz HJSSLTLIYJPMQQ-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(Cl)c1 ZINC000489695193 566804000 /nfs/dbraw/zinc/80/40/00/566804000.db2.gz DQMOYLKAPCMKGB-UHFFFAOYSA-N -3 0 390.200 3.191 20 0 GGADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489754772 566808700 /nfs/dbraw/zinc/80/87/00/566808700.db2.gz SXXQIZUZSOEUSM-UHFFFAOYSA-N -2 0 383.809 3.016 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1F ZINC000489755757 566808796 /nfs/dbraw/zinc/80/87/96/566808796.db2.gz VDOGKUDHSKMHBH-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000542728333 566821663 /nfs/dbraw/zinc/82/16/63/566821663.db2.gz OQRWGJCAJFIIHB-UHFFFAOYSA-N -2 0 385.873 3.308 20 0 GGADRL O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cccc(Br)c1[O-] ZINC000517373745 566822900 /nfs/dbraw/zinc/82/29/00/566822900.db2.gz VVXNBARWKGBXIN-UHFFFAOYSA-N -2 0 376.235 3.347 20 0 GGADRL Cc1nc(C)c(S(=O)(=O)[N-][C@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)s1 ZINC000563081057 566852954 /nfs/dbraw/zinc/85/29/54/566852954.db2.gz UXNPKSDPBZBHHU-LLVKDONJSA-N -2 0 394.396 3.040 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)nc1 ZINC000517924619 566854072 /nfs/dbraw/zinc/85/40/72/566854072.db2.gz ABZKOBISFKEFKW-UHFFFAOYSA-N -2 0 382.463 3.272 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(OC(C)C)c(F)c1 ZINC000543166528 566858926 /nfs/dbraw/zinc/85/89/26/566858926.db2.gz SOQIZIRFOHENHR-UHFFFAOYSA-N -2 0 375.349 3.152 20 0 GGADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000518042785 566861224 /nfs/dbraw/zinc/86/12/24/566861224.db2.gz SHFZBFPRSHNSTN-UHFFFAOYSA-N -2 0 385.463 3.351 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000470451340 566873792 /nfs/dbraw/zinc/87/37/92/566873792.db2.gz IGUYIJTZWVVKFN-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)cc1F ZINC000543662912 566898518 /nfs/dbraw/zinc/89/85/18/566898518.db2.gz MJWHDZCZLZTZOD-UHFFFAOYSA-N -2 0 380.180 3.337 20 0 GGADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000543861816 566917885 /nfs/dbraw/zinc/91/78/85/566917885.db2.gz CMGAJXMYXNYKKK-UHFFFAOYSA-N -2 0 378.793 3.494 20 0 GGADRL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000519217817 566927588 /nfs/dbraw/zinc/92/75/88/566927588.db2.gz XRFJJNQHCKSMJB-UHFFFAOYSA-N -2 0 382.463 3.294 20 0 GGADRL Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc(C(=O)[O-])c1C ZINC000471133380 566931403 /nfs/dbraw/zinc/93/14/03/566931403.db2.gz KVECHRJJUKQHBA-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(F)F ZINC000583247794 566934093 /nfs/dbraw/zinc/93/40/93/566934093.db2.gz WTXGNCDQNCHIQR-SSDOTTSWSA-N -2 0 383.825 3.189 20 0 GGADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000471985237 566991558 /nfs/dbraw/zinc/99/15/58/566991558.db2.gz RNYSCMHAANWEJS-UHFFFAOYSA-N -2 0 396.730 3.133 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)cs1 ZINC000520455092 567006493 /nfs/dbraw/zinc/00/64/93/567006493.db2.gz HHIOUANZOBHPGW-UHFFFAOYSA-N -2 0 381.353 3.188 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000520626503 567016016 /nfs/dbraw/zinc/01/60/16/567016016.db2.gz SMKXKUBYNZQELH-UHFFFAOYSA-N -2 0 398.487 3.482 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)cs1 ZINC000520700699 567018769 /nfs/dbraw/zinc/01/87/69/567018769.db2.gz CSGINOWITDDNRW-UHFFFAOYSA-N -2 0 399.500 3.250 20 0 GGADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000430977407 567044392 /nfs/dbraw/zinc/04/43/92/567044392.db2.gz WEOWXNBNFXVMFZ-UHFFFAOYSA-N -2 0 385.241 3.020 20 0 GGADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000545370891 567044584 /nfs/dbraw/zinc/04/45/84/567044584.db2.gz ZDPIUKYQIJESCO-VIFPVBQESA-N -2 0 388.239 3.421 20 0 GGADRL CC(C)O[C@]1(CS(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2[O-])CCOC1 ZINC000634791144 567062522 /nfs/dbraw/zinc/06/25/22/567062522.db2.gz MOXUFPMSXCHQMR-CQSZACIVSA-N -2 0 384.281 3.025 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1 ZINC000521527322 567063757 /nfs/dbraw/zinc/06/37/57/567063757.db2.gz OFZXZRVIUMPYTA-UHFFFAOYSA-N -2 0 395.380 3.497 20 0 GGADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1OC ZINC000473440341 567081029 /nfs/dbraw/zinc/08/10/29/567081029.db2.gz CEKMLXBPPFXOME-UHFFFAOYSA-N -2 0 391.854 3.226 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(=O)[O-])n2)sc1Cl ZINC000473446829 567081599 /nfs/dbraw/zinc/08/15/99/567081599.db2.gz FBOIGRHMAJUWSM-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c2ncccc12 ZINC000546020319 567095997 /nfs/dbraw/zinc/09/59/97/567095997.db2.gz OXNHEBCHWCODRD-UHFFFAOYSA-N -2 0 378.431 3.112 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)cs1 ZINC000588624458 567130012 /nfs/dbraw/zinc/13/00/12/567130012.db2.gz JZDKPRAMPKWQQI-UHFFFAOYSA-N -2 0 396.471 3.283 20 0 GGADRL Cc1nnc([N-]C(=O)c2sccc2S(=O)(=O)[N-]c2ccc(C)cc2)s1 ZINC000522909391 567136629 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GGADRL CC(C)(C)C[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(Br)ccc1F ZINC000547581292 567226215 /nfs/dbraw/zinc/22/62/15/567226215.db2.gz NODOYGFOCZMKIB-JTQLQIEISA-N -2 0 396.278 3.146 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)cc([N+](=O)[O-])c1 ZINC000547596828 567228392 /nfs/dbraw/zinc/22/83/92/567228392.db2.gz UKHQVACFBRNHLF-UHFFFAOYSA-N -2 0 388.760 3.027 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2O)sc1C(=O)[O-] ZINC000525173755 567230703 /nfs/dbraw/zinc/23/07/03/567230703.db2.gz RAOFQDDGULAELQ-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@@H](C)C(F)(F)F ZINC000547613048 567231181 /nfs/dbraw/zinc/23/11/81/567231181.db2.gz RWNFGUMILQWWGK-LURJTMIESA-N -2 0 390.177 3.148 20 0 GGADRL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2sccc2Br)c1F ZINC000547610220 567231570 /nfs/dbraw/zinc/23/15/70/567231570.db2.gz GDLKAXLCOINGGA-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1csc(-c2ccccn2)n1 ZINC000499340564 567239383 /nfs/dbraw/zinc/23/93/83/567239383.db2.gz GZSNLVGCFNYYIB-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OCC1CC1 ZINC000525368464 567245647 /nfs/dbraw/zinc/24/56/47/567245647.db2.gz RPSUITAEGOSGDD-UHFFFAOYSA-N -2 0 385.438 3.483 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1Br ZINC000547822127 567248032 /nfs/dbraw/zinc/24/80/32/567248032.db2.gz ZSTPGOJFQWRJCF-UHFFFAOYSA-N -2 0 395.234 3.429 20 0 GGADRL Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000499504241 567252917 /nfs/dbraw/zinc/25/29/17/567252917.db2.gz JKPBQQIHFRLZLP-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL Cc1cn(-c2ccc(Cl)cc2)nc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000499496523 567253005 /nfs/dbraw/zinc/25/30/05/567253005.db2.gz UQCPGTANRMGNIH-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000547876176 567253943 /nfs/dbraw/zinc/25/39/43/567253943.db2.gz VJNBCAQTAJQLFA-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000525669749 567256410 /nfs/dbraw/zinc/25/64/10/567256410.db2.gz CIDFDAVKRFWJHY-UHFFFAOYSA-N -2 0 381.353 3.296 20 0 GGADRL CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433530975 567256746 /nfs/dbraw/zinc/25/67/46/567256746.db2.gz UCDDTVYHANCHCH-UHFFFAOYSA-N -2 0 376.217 3.222 20 0 GGADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000548267592 567302740 /nfs/dbraw/zinc/30/27/40/567302740.db2.gz MZKPYZHMERXNQU-LDWIPMOCSA-N -2 0 394.198 3.379 20 0 GGADRL CCn1nc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cc1C1CC1 ZINC000527035121 567308226 /nfs/dbraw/zinc/30/82/26/567308226.db2.gz URERPJSLVLALDD-UHFFFAOYSA-N -2 0 383.857 3.241 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2F)c(C(=O)[O-])c1 ZINC000500289551 567312092 /nfs/dbraw/zinc/31/20/92/567312092.db2.gz QUQDFSZSVMFYDJ-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1ncc(S(=O)(=O)[N-]c2cc(F)c(NC(C)(C)C)cc2C(=O)[O-])s1 ZINC000548544451 567325600 /nfs/dbraw/zinc/32/56/00/567325600.db2.gz VIBBHCOAGAINRG-UHFFFAOYSA-N -2 0 387.458 3.300 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2nn(-c3ccccc3)cc2C)sc1C(=O)[O-] ZINC000592714880 567356901 /nfs/dbraw/zinc/35/69/01/567356901.db2.gz BNMOGDVMIKNUCO-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1C ZINC000548976460 567364437 /nfs/dbraw/zinc/36/44/37/567364437.db2.gz JJSKJNNKRKCUOV-UHFFFAOYSA-N -2 0 380.369 3.278 20 0 GGADRL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477411350 567392129 /nfs/dbraw/zinc/39/21/29/567392129.db2.gz BWFRBPRWAHFSIE-UHFFFAOYSA-N -2 0 382.825 3.106 20 0 GGADRL CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c(Cl)c1 ZINC000436152208 567409274 /nfs/dbraw/zinc/40/92/74/567409274.db2.gz MOMUKAZKSXDTJH-UHFFFAOYSA-N -2 0 385.825 3.332 20 0 GGADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000436604134 567439203 /nfs/dbraw/zinc/43/92/03/567439203.db2.gz JBPKRWIIQNJGCW-UHFFFAOYSA-N -2 0 383.809 3.137 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1O ZINC000436642012 567440801 /nfs/dbraw/zinc/44/08/01/567440801.db2.gz YQWNDZZSJANOEX-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL O=C([O-])CCCCCS(=O)(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000569924054 567443316 /nfs/dbraw/zinc/44/33/16/567443316.db2.gz WQQOJUFRIDDIOV-ZDUSSCGKSA-N -2 0 389.342 3.133 20 0 GGADRL O=C(N=c1nc(Cc2ccc(F)cc2F)[n-]s1)c1ccc([O-])c(Cl)c1 ZINC000436901882 567465315 /nfs/dbraw/zinc/46/53/15/567465315.db2.gz CVEQUPZSSPBRDT-UHFFFAOYSA-N -2 0 381.791 3.440 20 0 GGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1Cl ZINC000436993962 567473440 /nfs/dbraw/zinc/47/34/40/567473440.db2.gz JJQHMQVDRNZJBN-UHFFFAOYSA-N -2 0 392.216 3.207 20 0 GGADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2F)c1 ZINC000436993326 567473736 /nfs/dbraw/zinc/47/37/36/567473736.db2.gz AZDCPHNRZGLUMZ-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c1 ZINC000437006838 567475335 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20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cnn1CC(C)C ZINC000479280331 567521948 /nfs/dbraw/zinc/52/19/48/567521948.db2.gz LOORHEOOPQMKDM-UHFFFAOYSA-N -2 0 385.873 3.308 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c(OC)c1 ZINC000479292417 567522805 /nfs/dbraw/zinc/52/28/05/567522805.db2.gz YRHYGHUHRJKCLS-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1Cl ZINC000620476068 567523408 /nfs/dbraw/zinc/52/34/08/567523408.db2.gz CJJUHHRNMVUVKG-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1 ZINC000479530800 567541696 /nfs/dbraw/zinc/54/16/96/567541696.db2.gz WYEJVAMJCRFYBA-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1Cl ZINC000438788822 567545341 /nfs/dbraw/zinc/54/53/41/567545341.db2.gz GNTLDLHPZAUYRS-UHFFFAOYSA-N -2 0 390.200 3.191 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc1Cl ZINC000438813412 567547191 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599853079 /nfs/dbraw/zinc/85/30/79/599853079.db2.gz PKLOFZOLXFIZDP-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736512235 599853386 /nfs/dbraw/zinc/85/33/86/599853386.db2.gz GECLOIXIPPTINF-UHFFFAOYSA-N -2 0 391.445 3.326 20 0 GGADRL COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)c1 ZINC000737688410 599858621 /nfs/dbraw/zinc/85/86/21/599858621.db2.gz XRKDELATKMKWJZ-HXUWFJFHSA-N -2 0 391.420 3.171 20 0 GGADRL COC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000737678260 599906500 /nfs/dbraw/zinc/90/65/00/599906500.db2.gz NQBCWFXCRLGZLN-UHFFFAOYSA-N -2 0 399.424 3.434 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC(C)(C)C ZINC000477398387 599907259 /nfs/dbraw/zinc/90/72/59/599907259.db2.gz NCYZFBPPTKVOSN-UHFFFAOYSA-N -2 0 390.461 3.022 20 0 GGADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000736891811 599913603 /nfs/dbraw/zinc/91/36/03/599913603.db2.gz 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CC1=C(C(=O)[O-])[C@@H](c2cccc(O[C@H](C)C(=O)[O-])c2)NC(=O)N1CCC(C)C ZINC000736751009 599983573 /nfs/dbraw/zinc/98/35/73/599983573.db2.gz NPGZCUPOONDSRO-CXAGYDPISA-N -2 0 390.436 3.010 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(OCCC(=O)[O-])c2)NC(=O)N1CCC(C)C ZINC000736751705 599983843 /nfs/dbraw/zinc/98/38/43/599983843.db2.gz RLYQMGGODQHUDV-GOSISDBHSA-N -2 0 390.436 3.011 20 0 GGADRL CCc1nc([C@H]2NC(=O)N(c3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])cs1 ZINC000737281885 599983876 /nfs/dbraw/zinc/98/38/76/599983876.db2.gz NMGQMQGYRXFAHI-OAHLLOKOSA-N -2 0 387.417 3.033 20 0 GGADRL Cc1cc([C@H]2NC(=O)N(Cc3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])ccc1F ZINC000736749763 599986499 /nfs/dbraw/zinc/98/64/99/599986499.db2.gz FEIGCKZLFPNPKM-GOSISDBHSA-N -2 0 398.390 3.457 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2cc(F)ccc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000736745637 599987831 /nfs/dbraw/zinc/98/78/31/599987831.db2.gz JDRZECMDQHHYJA-MRXNPFEDSA-N -2 0 382.363 3.035 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2csc(C3CC3)n2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736745534 599987976 /nfs/dbraw/zinc/98/79/76/599987976.db2.gz CUOKVZSGAPPASH-HNNXBMFYSA-N -2 0 393.465 3.090 20 0 GGADRL CCC1=C(C(=O)[O-])[C@@H](c2cccc(F)c2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932814 599988052 /nfs/dbraw/zinc/98/80/52/599988052.db2.gz XAFCKLYWAAWAAI-QGZVFWFLSA-N -2 0 396.390 3.425 20 0 GGADRL CCC1=C(C(=O)[O-])[C@H](c2c(F)cccc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932652 599988314 /nfs/dbraw/zinc/98/83/14/599988314.db2.gz USLGSFUMDXBGJP-KRWDZBQOSA-N -2 0 396.390 3.425 20 0 GGADRL COc1ccc(C)cc1[C@@H]1NC(=O)N(CCCCCC(=O)[O-])C(C)=C1C(=O)[O-] ZINC000737975600 599988589 /nfs/dbraw/zinc/98/85/89/599988589.db2.gz KKFDQIFJHWWFMF-SFHVURJKSA-N -2 0 390.436 3.074 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2cnc(C(C)(C)C)s2)NC(=O)N1CCCCC(=O)[O-] ZINC000736752620 599989144 /nfs/dbraw/zinc/98/91/44/599989144.db2.gz YDDQTLUSSWSOQX-CQSZACIVSA-N -2 0 395.481 3.120 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(F)c2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736752846 599992602 /nfs/dbraw/zinc/99/26/02/599992602.db2.gz YRHBERXWVQKZEM-QGZVFWFLSA-N -2 0 384.363 3.149 20 0 GGADRL Cc1ccc([C@@H]2NC(=O)N(Cc3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])s1 ZINC000736751695 599992729 /nfs/dbraw/zinc/99/27/29/599992729.db2.gz REHXVUQMFALEBA-INIZCTEOSA-N -2 0 386.429 3.380 20 0 GGADRL Cc1ccc([C@@H]2NC(=O)N(Cc3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])cc1 ZINC000736750262 599992791 /nfs/dbraw/zinc/99/27/91/599992791.db2.gz IVQBIDMJASWCHR-SFHVURJKSA-N -2 0 380.400 3.318 20 0 GGADRL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000543660266 600004564 /nfs/dbraw/zinc/00/45/64/600004564.db2.gz MERBDUYZFAQGNU-UHFFFAOYSA-N -2 0 390.461 3.058 20 0 GGADRL CCC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736932420 600005051 /nfs/dbraw/zinc/00/50/51/600005051.db2.gz QAZUOEYGVLQHDQ-SFHVURJKSA-N -2 0 380.400 3.400 20 0 GGADRL CCCCCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000736984936 600044511 /nfs/dbraw/zinc/04/45/11/600044511.db2.gz QQOGLOALNXMCGU-UHFFFAOYSA-N -2 0 381.372 3.179 20 0 GGADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)CC2CCCCC2)c1 ZINC000739219888 600045077 /nfs/dbraw/zinc/04/50/77/600045077.db2.gz WXKVBOHMYYOMID-UHFFFAOYSA-N -2 0 393.383 3.179 20 0 GGADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)C2CCCCCC2)c1 ZINC000740074581 600045785 /nfs/dbraw/zinc/04/57/85/600045785.db2.gz SXKBEJWTHPCGQD-UHFFFAOYSA-N -2 0 393.383 3.179 20 0 GGADRL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000541795200 600051197 /nfs/dbraw/zinc/05/11/97/600051197.db2.gz LBXCWIDKAYRJNB-UHFFFAOYSA-N -2 0 391.426 3.187 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc(OC)c1 ZINC000737899961 600051717 /nfs/dbraw/zinc/05/17/17/600051717.db2.gz PHHSETPJHRWZJT-UHFFFAOYSA-N -2 0 393.442 3.418 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nc3c(cc(F)c(F)c3F)s2)c1 ZINC000740270786 600052175 /nfs/dbraw/zinc/05/21/75/600052175.db2.gz DAJCSWYWVWOAOU-UHFFFAOYSA-N -2 0 394.377 3.274 20 0 GGADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000740227687 600052380 /nfs/dbraw/zinc/05/23/80/600052380.db2.gz PGBBFKAFHKBBPR-UHFFFAOYSA-N -3 0 377.399 3.099 20 0 GGADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cn1 ZINC000736306253 600052591 /nfs/dbraw/zinc/05/25/91/600052591.db2.gz OUCJFGKARVUBAF-UHFFFAOYSA-N -2 0 379.463 3.352 20 0 GGADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000392670657 600052655 /nfs/dbraw/zinc/05/26/55/600052655.db2.gz IKVMRZZEUCYOJS-UHFFFAOYSA-N -2 0 375.427 3.335 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n(-c2ccccc2C)n1 ZINC000738462761 600053544 /nfs/dbraw/zinc/05/35/44/600053544.db2.gz XCQUUYHMPAYLAO-UHFFFAOYSA-N -2 0 389.433 3.198 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n(-c2ccc(F)cc2)n1 ZINC000738462688 600053554 /nfs/dbraw/zinc/05/35/54/600053554.db2.gz RWAYGPQADLMINX-UHFFFAOYSA-N -2 0 393.396 3.029 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n(-c2ccc(F)cc2)n1 ZINC000738463422 600054176 /nfs/dbraw/zinc/05/41/76/600054176.db2.gz BLZJUHXWZCYIRD-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)n1 ZINC000738633245 600054209 /nfs/dbraw/zinc/05/42/09/600054209.db2.gz KZADLWYPGFBFRU-UHFFFAOYSA-N -2 0 398.409 3.183 20 0 GGADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)cc1 ZINC000739741931 600054229 /nfs/dbraw/zinc/05/42/29/600054229.db2.gz IBXVFFNRNLIUST-UHFFFAOYSA-N -2 0 393.465 3.043 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(-c2ccccc2C)n1 ZINC000738463643 600054295 /nfs/dbraw/zinc/05/42/95/600054295.db2.gz NZDNLWQSIUCZBW-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000738798875 600054588 /nfs/dbraw/zinc/05/45/88/600054588.db2.gz QSRCARCGAMCLMX-UHFFFAOYSA-N -2 0 391.474 3.109 20 0 GGADRL Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000738546190 600054592 /nfs/dbraw/zinc/05/45/92/600054592.db2.gz LXEZWAUPEDDLDD-UHFFFAOYSA-N -2 0 391.474 3.109 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)sc1C(=O)[O-] ZINC000738364825 600054644 /nfs/dbraw/zinc/05/46/44/600054644.db2.gz WYFNVFNXDVLXHS-UHFFFAOYSA-N -2 0 398.796 3.205 20 0 GGADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ncc(Cc2ccccc2)s1 ZINC000740144140 600054763 /nfs/dbraw/zinc/05/47/63/600054763.db2.gz KMTUQYWCDUPFSU-UHFFFAOYSA-N -2 0 392.433 3.372 20 0 GGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])sc2C1 ZINC000736940894 600055531 /nfs/dbraw/zinc/05/55/31/600055531.db2.gz VHYCYKNVBHZDGC-LLVKDONJSA-N -2 0 380.491 3.465 20 0 GGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)sc2C1 ZINC000736939608 600055588 /nfs/dbraw/zinc/05/55/88/600055588.db2.gz PEPHUZBTVQIRDR-SECBINFHSA-N -2 0 384.454 3.296 20 0 GGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)sc2C1 ZINC000736941537 600055600 /nfs/dbraw/zinc/05/56/00/600055600.db2.gz YIIFIMQMNGPYDQ-LLVKDONJSA-N -2 0 380.491 3.465 20 0 GGADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n(C(C)(C)C)n1 ZINC000736293666 600055604 /nfs/dbraw/zinc/05/56/04/600055604.db2.gz DVBUSEVJIUTAEV-UHFFFAOYSA-N -2 0 379.482 3.435 20 0 GGADRL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000738720614 600055985 /nfs/dbraw/zinc/05/59/85/600055985.db2.gz DBRLSHYWYUJVLG-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL O=C([O-])c1cccc(Cc2cnc([N-]S(=O)(=O)c3cccs3)s2)c1 ZINC000740229122 600056168 /nfs/dbraw/zinc/05/61/68/600056168.db2.gz XPHUVPLSBPBWDR-UHFFFAOYSA-N -2 0 380.472 3.294 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nc(Cc3ccccc3)cs2)c1C(=O)[O-] ZINC000738969178 600056179 /nfs/dbraw/zinc/05/61/79/600056179.db2.gz IXUOTCSTVHBBQV-UHFFFAOYSA-N -2 0 392.458 3.443 20 0 GGADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1nc2cc(F)c(F)cc2s1 ZINC000740146676 600056220 /nfs/dbraw/zinc/05/62/20/600056220.db2.gz UKQMJVNIBCZYLK-UHFFFAOYSA-N -2 0 388.348 3.213 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3cc(F)c(F)cc3s2)s1 ZINC000740186309 600056307 /nfs/dbraw/zinc/05/63/07/600056307.db2.gz IRGHSHOIVGIGNI-UHFFFAOYSA-N -2 0 376.387 3.135 20 0 GGADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2cccc(NC(=O)[O-])c2)c1C ZINC000738356031 600056386 /nfs/dbraw/zinc/05/63/86/600056386.db2.gz QBSMHUSUFXCLCU-UHFFFAOYSA-N -2 0 376.434 3.129 20 0 GGADRL CC(C)[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000736353478 600056511 /nfs/dbraw/zinc/05/65/11/600056511.db2.gz OYUUSYWSTHGIMW-CYBMUJFWSA-N -2 0 381.475 3.081 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3Cl)c2)c1C(=O)[O-] ZINC000738746875 600058377 /nfs/dbraw/zinc/05/83/77/600058377.db2.gz MXYKUHVUYLCXLW-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000676076151 600058419 /nfs/dbraw/zinc/05/84/19/600058419.db2.gz KEFAYZNBPBEDPJ-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000740146863 600095122 /nfs/dbraw/zinc/09/51/22/600095122.db2.gz WJCHSQQIOWEKJO-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737655069 600097754 /nfs/dbraw/zinc/09/77/54/600097754.db2.gz ZRJMKZQEXHDOBH-UHFFFAOYSA-N -2 0 395.408 3.235 20 0 GGADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000736495025 600099159 /nfs/dbraw/zinc/09/91/59/600099159.db2.gz SWYAYBQKEJOSQV-UHFFFAOYSA-N -2 0 397.424 3.267 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c1C(=O)[O-] ZINC000738969716 600099409 /nfs/dbraw/zinc/09/94/09/600099409.db2.gz PIROMNKOBYEXRV-UHFFFAOYSA-N -2 0 395.824 3.235 20 0 GGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(OCCC(=O)[O-])cc3)c2n1 ZINC000738675963 600099488 /nfs/dbraw/zinc/09/94/88/600099488.db2.gz XSYFWRZXESEPAP-UHFFFAOYSA-N -2 0 386.429 3.198 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)s1 ZINC000740177577 600100351 /nfs/dbraw/zinc/10/03/51/600100351.db2.gz KJELDQVNPFJSQS-UHFFFAOYSA-N -2 0 383.838 3.086 20 0 GGADRL O=C([O-])Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1F ZINC000740012984 600101435 /nfs/dbraw/zinc/10/14/35/600101435.db2.gz TVNKRZVTRFDLCC-UHFFFAOYSA-N -3 0 388.760 3.068 20 0 GGADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccc(C)c(C)c3)nc2n1 ZINC000738345529 600102328 /nfs/dbraw/zinc/10/23/28/600102328.db2.gz GEVWNRXGXZMZNG-UHFFFAOYSA-N -2 0 377.447 3.116 20 0 GGADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3cc(Cl)ccc3C)nc2n1 ZINC000738345735 600102366 /nfs/dbraw/zinc/10/23/66/600102366.db2.gz JBKUBIYQKOMVMZ-UHFFFAOYSA-N -2 0 397.865 3.461 20 0 GGADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccc(Cl)cc3)nc2n1 ZINC000738346360 600102419 /nfs/dbraw/zinc/10/24/19/600102419.db2.gz RKRFIWYKYHHAML-UHFFFAOYSA-N -2 0 383.838 3.152 20 0 GGADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)c1 ZINC000738577030 600102457 /nfs/dbraw/zinc/10/24/57/600102457.db2.gz KGICKTBVQOKNTN-UHFFFAOYSA-N -2 0 377.447 3.116 20 0 GGADRL Cc1cccc(C[C@H](CNC(=O)c2cccc(Br)c2[O-])C(=O)[O-])c1 ZINC000738710965 600103310 /nfs/dbraw/zinc/10/33/10/600103310.db2.gz 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393.314 3.374 20 0 GGADRL O=C([O-])CCCOc1ccc(NC(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)cc1 ZINC000739686897 600506509 /nfs/dbraw/zinc/50/65/09/600506509.db2.gz DSIUCYZOYGBUDE-UHFFFAOYSA-N -2 0 399.428 3.120 20 0 GGADRL CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000737257943 600511160 /nfs/dbraw/zinc/51/11/60/600511160.db2.gz UKPFYTBGTKGIOV-LLVKDONJSA-N -2 0 381.475 3.007 20 0 GGADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(C)cc1 ZINC000736893033 600511194 /nfs/dbraw/zinc/51/11/94/600511194.db2.gz SPBYNJJLITUQPC-INIZCTEOSA-N -2 0 389.473 3.223 20 0 GGADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000738138802 600514340 /nfs/dbraw/zinc/51/43/40/600514340.db2.gz HVUHZCQYENKMSF-UHFFFAOYSA-N -2 0 384.413 3.162 20 0 GGADRL CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000055688497 600543827 /nfs/dbraw/zinc/54/38/27/600543827.db2.gz IEJSOIIZYGOLKR-UHFFFAOYSA-N -2 0 379.434 3.373 20 0 GGADRL CCc1cccc(CC)c1[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] 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ZINC000740013407 601047223 /nfs/dbraw/zinc/04/72/23/601047223.db2.gz NNLKSSUAHVTAEC-UHFFFAOYSA-N -2 0 394.359 3.041 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)[nH]c2C(=O)[O-])c(Cl)c1Cl ZINC000738063621 601048650 /nfs/dbraw/zinc/04/86/50/601048650.db2.gz CFSKICDTHLWXIB-UHFFFAOYSA-N -2 0 379.221 3.138 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c1 ZINC000387985290 601049202 /nfs/dbraw/zinc/04/92/02/601049202.db2.gz RMYKQYFGMSPCLS-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])c1ccccc1CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000740240188 601120855 /nfs/dbraw/zinc/12/08/55/601120855.db2.gz NXKBBCZBYPFORI-UHFFFAOYSA-N -2 0 385.397 3.178 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C)c(Cl)cc1OC ZINC000832004499 601150348 /nfs/dbraw/zinc/15/03/48/601150348.db2.gz QBICYOPLDBSNFK-UHFFFAOYSA-N -2 0 391.854 3.226 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000831946298 601150508 /nfs/dbraw/zinc/15/05/08/601150508.db2.gz SMQXTJYIKWLHKH-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL CCCCN(C)c1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)cc1 ZINC000829381204 601200718 /nfs/dbraw/zinc/20/07/18/601200718.db2.gz MSBDOOTUPUKDLD-UHFFFAOYSA-N -2 0 398.506 3.492 20 0 GGADRL CCCn1c([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)nc2ccccc21 ZINC000829579517 601200743 /nfs/dbraw/zinc/20/07/43/601200743.db2.gz IGVWIRKOOOXKQI-UHFFFAOYSA-N -2 0 395.462 3.015 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC000831946306 601201024 /nfs/dbraw/zinc/20/10/24/601201024.db2.gz SSIAXBNJKILIIR-UHFFFAOYSA-N -2 0 390.442 3.318 20 0 GGADRL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000829372960 601201611 /nfs/dbraw/zinc/20/16/11/601201611.db2.gz ACJAIDGZUMSBMP-DHZHZOJOSA-N -2 0 377.466 3.280 20 0 GGADRL CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)c1 ZINC000828765102 601202331 /nfs/dbraw/zinc/20/23/31/601202331.db2.gz WGBBHCILSFJJRR-SNVBAGLBSA-N -2 0 385.463 3.433 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000831945417 601204658 /nfs/dbraw/zinc/20/46/58/601204658.db2.gz GIDHREHMPWZRPN-UHFFFAOYSA-N -2 0 383.781 3.187 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C)c1 ZINC000831946305 601205123 /nfs/dbraw/zinc/20/51/23/601205123.db2.gz SRDQYTRPNMGNMW-UHFFFAOYSA-N -2 0 385.463 3.351 20 0 GGADRL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000830000486 601211127 /nfs/dbraw/zinc/21/11/27/601211127.db2.gz IHDZSYRUWYFSTN-JTQLQIEISA-N -2 0 378.252 3.289 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC000831933972 601213301 /nfs/dbraw/zinc/21/33/01/601213301.db2.gz FBQOERWRCLOABJ-NSHDSACASA-N -2 0 395.380 3.037 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(Cl)c2)cc1C(=O)[O-] ZINC000833030529 601230725 /nfs/dbraw/zinc/23/07/25/601230725.db2.gz ZUJSWQRBBUTRBI-UHFFFAOYSA-N -2 0 384.841 3.341 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)cc1C(=O)[O-] ZINC000833029060 601230908 /nfs/dbraw/zinc/23/09/08/601230908.db2.gz AHHNMESLANFQBA-UHFFFAOYSA-N -2 0 378.450 3.467 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1C(=O)[O-] ZINC000833030521 601231727 /nfs/dbraw/zinc/23/17/27/601231727.db2.gz ZSILFQCAOJTQLJ-UHFFFAOYSA-N -2 0 397.412 3.426 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc1C(=O)[O-] ZINC000833030477 601231755 /nfs/dbraw/zinc/23/17/55/601231755.db2.gz YNIQGPHNTIPBCE-UHFFFAOYSA-N -2 0 381.740 3.342 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000833029066 601231878 /nfs/dbraw/zinc/23/18/78/601231878.db2.gz AKYSYYFTGFRGDW-UHFFFAOYSA-N -2 0 379.312 3.028 20 0 GGADRL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1C ZINC000829185438 601232754 /nfs/dbraw/zinc/23/27/54/601232754.db2.gz YTECTTVKMUMOPL-UHFFFAOYSA-N -2 0 380.422 3.134 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)nc2)cc1C(=O)[O-] ZINC000833029329 601233300 /nfs/dbraw/zinc/23/33/00/601233300.db2.gz FQQYXSGOQGRAJE-UHFFFAOYSA-N -2 0 388.401 3.061 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)F)n3)cc2)cc1C(=O)[O-] ZINC000833030117 601233329 /nfs/dbraw/zinc/23/33/29/601233329.db2.gz RRHQUJHCOGKDAF-UHFFFAOYSA-N -2 0 399.331 3.075 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1C(=O)[O-] ZINC000832952940 601234101 /nfs/dbraw/zinc/23/41/01/601234101.db2.gz NYRRPKBKSYCXRM-UHFFFAOYSA-N -2 0 394.449 3.380 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(NC(=O)OC(C)(C)C)cc2)cc1C(=O)[O-] ZINC000833029319 601234350 /nfs/dbraw/zinc/23/43/50/601234350.db2.gz FHNPHBCJBGCADP-UHFFFAOYSA-N -2 0 396.421 3.434 20 0 GGADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000833185486 601236143 /nfs/dbraw/zinc/23/61/43/601236143.db2.gz XKKHJPYEXUPEOA-IAGOWNOFSA-N -2 0 393.505 3.430 20 0 GGADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)n1 ZINC000832890673 601243063 /nfs/dbraw/zinc/24/30/63/601243063.db2.gz ZPAIUDGZPPZFOM-LBPRGKRZSA-N -2 0 389.408 3.033 20 0 GGADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)n1 ZINC000832889003 601244893 /nfs/dbraw/zinc/24/48/93/601244893.db2.gz AVRIKUUERJZVCJ-UHFFFAOYSA-N -2 0 384.367 3.392 20 0 GGADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)s1 ZINC000832996180 601250291 /nfs/dbraw/zinc/25/02/91/601250291.db2.gz SBRRPEMJXNAGLQ-UHFFFAOYSA-N -2 0 386.520 3.269 20 0 GGADRL CCCCc1nc2cc([N-]S(=O)(=O)c3ccsc3C(=O)[O-])ccc2[nH]1 ZINC000829440616 601251261 /nfs/dbraw/zinc/25/12/61/601251261.db2.gz NFSLDIVBHITVTR-UHFFFAOYSA-N -2 0 379.463 3.466 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2Cl)o1 ZINC000833323672 601251881 /nfs/dbraw/zinc/25/18/81/601251881.db2.gz YPPPBRIDIWYXNY-UHFFFAOYSA-N -2 0 398.593 3.334 20 0 GGADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N(CCC(=O)[O-])Cc2ccccc2)n1 ZINC000832890163 601280619 /nfs/dbraw/zinc/28/06/19/601280619.db2.gz QRPNHCFFFVBWHJ-UHFFFAOYSA-N -2 0 397.406 3.143 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c(Cl)cc1Cl ZINC000324817218 601318429 /nfs/dbraw/zinc/31/84/29/601318429.db2.gz FNWSJWXAUUGSBE-UHFFFAOYSA-N -2 0 386.216 3.369 20 0 GGADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000830088868 601319457 /nfs/dbraw/zinc/31/94/57/601319457.db2.gz OHKISENJWYECMT-GHXNOFRVSA-N -2 0 391.445 3.383 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(OC)cc1Cl ZINC000832025646 601319536 /nfs/dbraw/zinc/31/95/36/601319536.db2.gz AEHKWDDTNCAFIK-YVMONPNESA-N -2 0 397.836 3.256 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000024429728 601320963 /nfs/dbraw/zinc/32/09/63/601320963.db2.gz QHTAUQMTQXLQGE-UHFFFAOYSA-N -2 0 391.323 3.093 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2coc(C)n2)cc1 ZINC000026540275 601321072 /nfs/dbraw/zinc/32/10/72/601321072.db2.gz HQZNICMXELXSKK-UHFFFAOYSA-N -2 0 388.401 3.158 20 0 GGADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000516678235 601326099 /nfs/dbraw/zinc/32/60/99/601326099.db2.gz TZRUMMMPHPWYJC-UHFFFAOYSA-N -2 0 393.461 3.218 20 0 GGADRL CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1 ZINC000057126251 601326499 /nfs/dbraw/zinc/32/64/99/601326499.db2.gz CDCGVJPBPFZNMN-LBPRGKRZSA-N -2 0 379.434 3.372 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])ccc1F ZINC000104793019 601327086 /nfs/dbraw/zinc/32/70/86/601327086.db2.gz OULGDFGHEZJXLF-UHFFFAOYSA-N -2 0 389.360 3.176 20 0 GGADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000825903176 601327969 /nfs/dbraw/zinc/32/79/69/601327969.db2.gz XMCIHEPUHQHEAN-RUDMXATFSA-N -2 0 394.836 3.197 20 0 GGADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000825903177 601327976 /nfs/dbraw/zinc/32/79/76/601327976.db2.gz XMCIHEPUHQHEAN-WTKPLQERSA-N -2 0 394.836 3.197 20 0 GGADRL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000832970138 601329198 /nfs/dbraw/zinc/32/91/98/601329198.db2.gz STXKEAXXJUAFBG-YFHOEESVSA-N -2 0 397.456 3.138 20 0 GGADRL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000832970135 601329451 /nfs/dbraw/zinc/32/94/51/601329451.db2.gz STXKEAXXJUAFBG-JXMROGBWSA-N -2 0 397.456 3.138 20 0 GGADRL CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000728508814 601329814 /nfs/dbraw/zinc/32/98/14/601329814.db2.gz WELRLSWSEMZHLR-UHFFFAOYSA-N -2 0 398.437 3.098 20 0 GGADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000730203411 601329980 /nfs/dbraw/zinc/32/99/80/601329980.db2.gz OWIXWRPBGDZMDJ-UHFFFAOYSA-N -2 0 383.397 3.121 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)ccc1F ZINC000738678823 601333032 /nfs/dbraw/zinc/33/30/32/601333032.db2.gz NENVVMZFBNISOQ-UHFFFAOYSA-N -2 0 383.372 3.253 20 0 GGADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000832654813 601333783 /nfs/dbraw/zinc/33/37/83/601333783.db2.gz ZXUQVNUBZHXFBN-UHFFFAOYSA-N -2 0 378.431 3.112 20 0 GGADRL C[C@@H](Oc1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000827902142 601339121 /nfs/dbraw/zinc/33/91/21/601339121.db2.gz FCNUCQKYEGYTOH-GFCCVEGCSA-N -2 0 388.401 3.314 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)s1 ZINC000833323548 601339239 /nfs/dbraw/zinc/33/92/39/601339239.db2.gz MWIRUEGQAFGNPR-UHFFFAOYSA-N -2 0 391.474 3.323 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n(-c2ccccc2C)n1 ZINC000832899300 601358726 /nfs/dbraw/zinc/35/87/26/601358726.db2.gz HVWJRHSTPKYHLJ-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2cccc(Br)c2C)sc1C(=O)[O-] ZINC000833002497 601358739 /nfs/dbraw/zinc/35/87/39/601358739.db2.gz AOJLTAGJVLMDNF-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(s1)CCCCCC2 ZINC000832208636 601358856 /nfs/dbraw/zinc/35/88/56/601358856.db2.gz JTJQGWWAYNHPHK-UHFFFAOYSA-N -2 0 396.490 3.310 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2c(s1)c(C)ccc2C ZINC000832208848 601358981 /nfs/dbraw/zinc/35/89/81/601358981.db2.gz YFIOPHKJQRCPJP-UHFFFAOYSA-N -2 0 392.458 3.421 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n(Cc2ccccc2)n1 ZINC000832900030 601358984 /nfs/dbraw/zinc/35/89/84/601358984.db2.gz YGFNPESKMLPENC-FMIVXFBMSA-N -2 0 397.456 3.138 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n(-c2ccccc2C)n1 ZINC000832899977 601359046 /nfs/dbraw/zinc/35/90/46/601359046.db2.gz XCFSXBJURNAZHL-XFXZXTDPSA-N -2 0 397.456 3.388 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n(-c2ccccc2C)n1 ZINC000832899975 601359068 /nfs/dbraw/zinc/35/90/68/601359068.db2.gz XCFSXBJURNAZHL-FMIVXFBMSA-N -2 0 397.456 3.388 20 0 GGADRL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000829579006 601359789 /nfs/dbraw/zinc/35/97/89/601359789.db2.gz BGXYGOZAJJKFOY-FMIVXFBMSA-N -2 0 385.445 3.345 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2-c2cccc(Cl)c2)ccc1F ZINC000833306361 601360347 /nfs/dbraw/zinc/36/03/47/601360347.db2.gz XXMSUKBVHUHSCS-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)nn2C)c1C ZINC000832868462 601360585 /nfs/dbraw/zinc/36/05/85/601360585.db2.gz UDPSTLVFOPBGCT-UHFFFAOYSA-N -2 0 379.482 3.125 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnc(-c2ccccc2)c1 ZINC000832208755 601361583 /nfs/dbraw/zinc/36/15/83/601361583.db2.gz QYIOSWAKEPCBTJ-UHFFFAOYSA-N -2 0 384.413 3.256 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2nc(-c3ccccc3)ns2)ccc1C(=O)[O-] ZINC000832904368 601361887 /nfs/dbraw/zinc/36/18/87/601361887.db2.gz JFLITYQUQBSWHP-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)no1 ZINC000827112409 601361954 /nfs/dbraw/zinc/36/19/54/601361954.db2.gz HLRJJIWLQZSHHI-UHFFFAOYSA-N -2 0 389.227 3.060 20 0 GGADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n(C)n1 ZINC000832973397 601362006 /nfs/dbraw/zinc/36/20/06/601362006.db2.gz AJHYUZZTATZAGS-XFXZXTDPSA-N -2 0 397.456 3.294 20 0 GGADRL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000832976586 601362043 /nfs/dbraw/zinc/36/20/43/601362043.db2.gz SSPJBRSSKVJJLN-DHZHZOJOSA-N -2 0 383.429 3.079 20 0 GGADRL CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC000830104276 601362263 /nfs/dbraw/zinc/36/22/63/601362263.db2.gz DSUGCNUCYNGDRM-UHFFFAOYSA-N -2 0 391.232 3.286 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1 ZINC000830094429 601362272 /nfs/dbraw/zinc/36/22/72/601362272.db2.gz BQNYVCBJQUNBCQ-UHFFFAOYSA-N -2 0 384.479 3.338 20 0 GGADRL COCc1cccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC000831822189 601362922 /nfs/dbraw/zinc/36/29/22/601362922.db2.gz VJWOWGHQCDKGBG-UHFFFAOYSA-N -2 0 384.479 3.086 20 0 GGADRL COc1ccc(C)nc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000832264352 601362957 /nfs/dbraw/zinc/36/29/57/601362957.db2.gz AIVBDCLJZJNNOQ-UHFFFAOYSA-N -2 0 378.431 3.112 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)c1 ZINC000833317600 601363224 /nfs/dbraw/zinc/36/32/24/601363224.db2.gz XWGHSSOGYIGRJF-UHFFFAOYSA-N -2 0 377.809 3.229 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)ccn2)cc1C(=O)[O-] ZINC000833026450 601365755 /nfs/dbraw/zinc/36/57/55/601365755.db2.gz 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383.379 3.053 20 0 GGADRL O=C([O-])CCCOc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC000833227246 601757265 /nfs/dbraw/zinc/75/72/65/601757265.db2.gz DFWXLHORKAZCGY-UHFFFAOYSA-N -2 0 399.378 3.213 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1nc2ccccc2n1C1CCCC1 ZINC000833345628 601769553 /nfs/dbraw/zinc/76/95/53/601769553.db2.gz FVEFRUFNWYXUJI-UHFFFAOYSA-N -2 0 392.462 3.107 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2c(-c3ccco3)nc3ccccn32)c1 ZINC000833344254 601770531 /nfs/dbraw/zinc/77/05/31/601770531.db2.gz IVWDULXLEODNET-UHFFFAOYSA-N -2 0 389.414 3.155 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(-c3ccco3)nc3ccccn32)s1 ZINC000833323687 601770537 /nfs/dbraw/zinc/77/05/37/601770537.db2.gz ZVTSCNQQHJLPKZ-UHFFFAOYSA-N -2 0 389.414 3.155 20 0 GGADRL CC(C)COc1ccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1 ZINC000826905696 601770721 /nfs/dbraw/zinc/77/07/21/601770721.db2.gz OEZCEFXDHFQCDX-UHFFFAOYSA-N -2 0 398.506 3.386 20 0 GGADRL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)c1 ZINC000832904304 601772654 /nfs/dbraw/zinc/77/26/54/601772654.db2.gz GAMJTXYEQOXPPG-UHFFFAOYSA-N -2 0 391.474 3.208 20 0 GGADRL Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)c2ccccc2n3C)cc1C(=O)[O-] ZINC000833053520 601785225 /nfs/dbraw/zinc/78/52/25/601785225.db2.gz WTRXAVQCFYRXKM-UHFFFAOYSA-N -2 0 383.429 3.169 20 0 GGADRL CC(C)n1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000440287957 601794948 /nfs/dbraw/zinc/79/49/48/601794948.db2.gz WXSIUPFBJSZFBW-UHFFFAOYSA-N -2 0 392.462 3.087 20 0 GGADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3cc(C)c(F)cc3F)nc2n1 ZINC000832866168 601795338 /nfs/dbraw/zinc/79/53/38/601795338.db2.gz AKXGCZLVJBCVAE-UHFFFAOYSA-N -2 0 399.400 3.085 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnccc2-c2cccc(F)c2)cs1 ZINC000833306323 601795745 /nfs/dbraw/zinc/79/57/45/601795745.db2.gz PUOMYIOCXLHDIC-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CCC(CCC(=O)[O-])CC3)n2)c1 ZINC000827129520 601822530 /nfs/dbraw/zinc/82/25/30/601822530.db2.gz 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O=C([O-])c1cc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)ccc1Cl ZINC000833306183 601829441 /nfs/dbraw/zinc/82/94/41/601829441.db2.gz CRKOKCWOHTWERK-UHFFFAOYSA-N -2 0 391.836 3.084 20 0 GGADRL CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000736233311 601830185 /nfs/dbraw/zinc/83/01/85/601830185.db2.gz WYLHSLJVQJUZBG-UHFFFAOYSA-N -2 0 397.836 3.201 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)c(F)cc1F ZINC000832904223 601830998 /nfs/dbraw/zinc/83/09/98/601830998.db2.gz AANMRDLPJJKRPH-UHFFFAOYSA-N -2 0 387.429 3.392 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000833345739 601831436 /nfs/dbraw/zinc/83/14/36/601831436.db2.gz WYYTWSKZBBMCKS-UHFFFAOYSA-N -2 0 386.760 3.314 20 0 GGADRL CC(C)Oc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000746351495 601835385 /nfs/dbraw/zinc/83/53/85/601835385.db2.gz QOVRKTPNJJGASU-UHFFFAOYSA-N -2 0 388.804 3.160 20 0 GGADRL COc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1F ZINC000063877835 601836161 /nfs/dbraw/zinc/83/61/61/601836161.db2.gz UAAQCYMKESSVGH-UHFFFAOYSA-N -2 0 395.742 3.265 20 0 GGADRL CC(C)COc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000826905467 601836547 /nfs/dbraw/zinc/83/65/47/601836547.db2.gz LOFLFQXAKXSLIO-UHFFFAOYSA-N -2 0 384.841 3.269 20 0 GGADRL Cn1ccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3Cl)cc21 ZINC000736423408 601837387 /nfs/dbraw/zinc/83/73/87/601837387.db2.gz LYUDAAYTKIDLIG-UHFFFAOYSA-N -2 0 382.800 3.470 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c(Cl)cc1F ZINC000063877922 601837598 /nfs/dbraw/zinc/83/75/98/601837598.db2.gz NZZJCVGYIKMIQT-UHFFFAOYSA-N -2 0 395.799 3.368 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])ccc1Oc1cccnc1 ZINC000832898001 601837844 /nfs/dbraw/zinc/83/78/44/601837844.db2.gz AUGQJYAJPCKSFS-UHFFFAOYSA-N -2 0 391.430 3.138 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000833346997 601838958 /nfs/dbraw/zinc/83/89/58/601838958.db2.gz ZEBOHZGPTDXYBP-UHFFFAOYSA-N -2 0 381.460 3.129 20 0 GGADRL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000105388315 601839189 /nfs/dbraw/zinc/83/91/89/601839189.db2.gz AAFVRWJFYCTFEK-UHFFFAOYSA-N -2 0 383.788 3.163 20 0 GGADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccc2ccccc2c1 ZINC000826009534 601843040 /nfs/dbraw/zinc/84/30/40/601843040.db2.gz ZBVPLECRZHWPOH-LLVKDONJSA-N -2 0 389.454 3.208 20 0 GGADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccc2ccccc2c1 ZINC000826009536 601843093 /nfs/dbraw/zinc/84/30/93/601843093.db2.gz ZBVPLECRZHWPOH-NSHDSACASA-N -2 0 389.454 3.208 20 0 GGADRL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000826009120 601843167 /nfs/dbraw/zinc/84/31/67/601843167.db2.gz SRODOJPPEXOELW-AWEZNQCLSA-N -2 0 397.452 3.288 20 0 GGADRL COc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)sc2c1 ZINC000326697349 601843431 /nfs/dbraw/zinc/84/34/31/601843431.db2.gz UGJQVLZYFRQFEU-UHFFFAOYSA-N -2 0 398.849 3.457 20 0 GGADRL CCCCc1nnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000829440390 601843846 /nfs/dbraw/zinc/84/38/46/601843846.db2.gz JVVNKVCTEVBZQE-UHFFFAOYSA-N -2 0 375.859 3.033 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2)ccc1Cl ZINC000833306181 601844164 /nfs/dbraw/zinc/84/41/64/601844164.db2.gz CPUXMIBXFCMKFI-UHFFFAOYSA-N -2 0 391.836 3.084 20 0 GGADRL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])sc2C1 ZINC000829134059 601847563 /nfs/dbraw/zinc/84/75/63/601847563.db2.gz LFBWEKMUPQXFOS-VIFPVBQESA-N -2 0 384.454 3.296 20 0 GGADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(F)ccc1N1CCCCC1 ZINC000833295434 601847626 /nfs/dbraw/zinc/84/76/26/601847626.db2.gz WEVSZTVETGAXPK-UHFFFAOYSA-N -2 0 396.415 3.454 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)ccc1Cl ZINC000759681097 601853837 /nfs/dbraw/zinc/85/38/37/601853837.db2.gz UBQUPZQDCOPVJQ-NSHDSACASA-N -2 0 397.836 3.007 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)c1 ZINC000759680783 601853998 /nfs/dbraw/zinc/85/39/98/601853998.db2.gz RZQGDFSMHKZYKD-GFCCVEGCSA-N -2 0 397.836 3.007 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)c(Cl)c1 ZINC000489564161 601855044 /nfs/dbraw/zinc/85/50/44/601855044.db2.gz RILVZQYTXDCTIS-LBPRGKRZSA-N -2 0 397.836 3.007 20 0 GGADRL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC000827949729 601855513 /nfs/dbraw/zinc/85/55/13/601855513.db2.gz OEQWVQKJHVNIGX-LBPRGKRZSA-N -2 0 389.408 3.131 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn([C@@H](C)c2ccccc2)n1 ZINC000675285667 601855652 /nfs/dbraw/zinc/85/56/52/601855652.db2.gz VKLOSBGFUFEMQY-AWEZNQCLSA-N -2 0 385.445 3.300 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn([C@H](C)c2ccccc2)n1 ZINC000675285668 601855656 /nfs/dbraw/zinc/85/56/56/601855656.db2.gz VKLOSBGFUFEMQY-CQSZACIVSA-N -2 0 385.445 3.300 20 0 GGADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000829528060 601855662 /nfs/dbraw/zinc/85/56/62/601855662.db2.gz QBDXXGLXJMKILI-UHFFFAOYSA-N -2 0 389.351 3.392 20 0 GGADRL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])n1 ZINC000827949251 601855686 /nfs/dbraw/zinc/85/56/86/601855686.db2.gz JLOJCRVXSOKAPD-LLVKDONJSA-N -2 0 377.447 3.053 20 0 GGADRL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC000827949728 601855690 /nfs/dbraw/zinc/85/56/90/601855690.db2.gz OEQWVQKJHVNIGX-GFCCVEGCSA-N -2 0 389.408 3.131 20 0 GGADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000833294977 601856289 /nfs/dbraw/zinc/85/62/89/601856289.db2.gz PTHZFTYDZGSMKH-UHFFFAOYSA-N -2 0 379.287 3.065 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2ccn([C@H](C)c3ccccc3)n2)c1C(=O)[O-] ZINC000832973143 601856315 /nfs/dbraw/zinc/85/63/15/601856315.db2.gz WSEXUIAXDKLUNL-CQSZACIVSA-N -2 0 385.445 3.300 20 0 GGADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000833293900 601863654 /nfs/dbraw/zinc/86/36/54/601863654.db2.gz DFKLMCMAAMPVQG-UHFFFAOYSA-N -2 0 379.287 3.065 20 0 GGADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000832935080 601881671 /nfs/dbraw/zinc/88/16/71/601881671.db2.gz WNMFEPVMWCYARB-UITAMQMPSA-N -2 0 395.820 3.245 20 0 GGADRL CCCCn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000829448223 601962360 /nfs/dbraw/zinc/96/23/60/601962360.db2.gz ZKNWZSNCFMJBIC-UHFFFAOYSA-N -2 0 389.433 3.442 20 0 GGADRL Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000833060075 601965204 /nfs/dbraw/zinc/96/52/04/601965204.db2.gz OVTCJESFYRBQKG-UHFFFAOYSA-N -2 0 399.419 3.245 20 0 GGADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829207771 602037147 /nfs/dbraw/zinc/03/71/47/602037147.db2.gz FCDJINYPYYYFFD-VIFPVBQESA-N -2 0 396.387 3.291 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n[nH]c1C1CC1 ZINC000832853678 602103591 /nfs/dbraw/zinc/10/35/91/602103591.db2.gz SMBOANXGUGXVEW-UHFFFAOYSA-N -2 0 390.248 3.401 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)cc1C(=O)[O-] ZINC000832956698 602103635 /nfs/dbraw/zinc/10/36/35/602103635.db2.gz UDGRNRBCKZKDNE-UHFFFAOYSA-N -2 0 381.460 3.074 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)ccc1C(=O)[O-] ZINC000832904420 602103725 /nfs/dbraw/zinc/10/37/25/602103725.db2.gz MOYURFAZVWKWAT-UHFFFAOYSA-N -2 0 381.460 3.074 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)c(Cl)cc1F ZINC000832904249 602103990 /nfs/dbraw/zinc/10/39/90/602103990.db2.gz BXTWENBVFQQCLK-UHFFFAOYSA-N -2 0 392.861 3.452 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n[nH]c1C1CC1 ZINC000832853761 602104050 /nfs/dbraw/zinc/10/40/50/602104050.db2.gz UPZZCFNAXOXKQC-UHFFFAOYSA-N -2 0 389.355 3.113 20 0 GGADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)s1 ZINC000833232165 602105497 /nfs/dbraw/zinc/10/54/97/602105497.db2.gz MDNCLGDRHBSPHY-HJWRWDBZSA-N -2 0 387.870 3.011 20 0 GGADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)s1 ZINC000833232499 602105896 /nfs/dbraw/zinc/10/58/96/602105896.db2.gz XCBHUPVVIJIJND-UHFFFAOYSA-N -2 0 396.277 3.053 20 0 GGADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)s1 ZINC000833232326 602105915 /nfs/dbraw/zinc/10/59/15/602105915.db2.gz NCDUYRVCPPNKBI-HJWRWDBZSA-N -2 0 387.870 3.011 20 0 GGADRL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000832910388 602115744 /nfs/dbraw/zinc/11/57/44/602115744.db2.gz FZYFRDOUBYOVRZ-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1Br ZINC000832468892 602115774 /nfs/dbraw/zinc/11/57/74/602115774.db2.gz SEJDCZGSMSBWNV-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)ccc1Br ZINC000832903730 602115799 /nfs/dbraw/zinc/11/57/99/602115799.db2.gz PWHLSFYUGSFFTH-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cnn1-c1ccc(Cl)cc1 ZINC000832856343 602115956 /nfs/dbraw/zinc/11/59/56/602115956.db2.gz QOXYJRQISCJNHK-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000833343811 602116399 /nfs/dbraw/zinc/11/63/99/602116399.db2.gz QAPZUMHWMAJBFB-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000833343591 602116491 /nfs/dbraw/zinc/11/64/91/602116491.db2.gz IZBYVQOUUXZPBB-UHFFFAOYSA-N -2 0 381.353 3.188 20 0 GGADRL COC(=O)c1csc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000831466764 602117645 /nfs/dbraw/zinc/11/76/45/602117645.db2.gz DWCQHBLQBDFGTC-UHFFFAOYSA-N -2 0 397.455 3.248 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1sc(C)nc1CC(C)C ZINC000831950852 602119541 /nfs/dbraw/zinc/11/95/41/602119541.db2.gz XQBZBXDDGUULLJ-UHFFFAOYSA-N -2 0 390.508 3.219 20 0 GGADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000831851853 602119848 /nfs/dbraw/zinc/11/98/48/602119848.db2.gz KUYLTFLGSCYQLT-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(SC(F)(F)F)cc1 ZINC000833347327 602156578 /nfs/dbraw/zinc/15/65/78/602156578.db2.gz YPDKXEZYNBLNMI-UHFFFAOYSA-N -2 0 384.382 3.254 20 0 GGADRL O=C([O-])c1nscc1[N-]S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000833347309 602156592 /nfs/dbraw/zinc/15/65/92/602156592.db2.gz XUYFODHEESADSU-AATRIKPKSA-N -2 0 389.252 3.016 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000833334569 602157661 /nfs/dbraw/zinc/15/76/61/602157661.db2.gz SCKWETYTPCRROV-UHFFFAOYSA-N -2 0 395.849 3.358 20 0 GGADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000165997708 602158427 /nfs/dbraw/zinc/15/84/27/602158427.db2.gz SMXTZLPGQRAXNC-UHFFFAOYSA-N -2 0 379.196 3.335 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccn4)nc3c2)cc1C(=O)[O-] ZINC000833030428 602176033 /nfs/dbraw/zinc/17/60/33/602176033.db2.gz VPUJOBJDEHUROV-UHFFFAOYSA-N -2 0 398.400 3.025 20 0 GGADRL Cc1cc(N2CCCC[C@@H]2C)ccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832891181 602176178 /nfs/dbraw/zinc/17/61/78/602176178.db2.gz NEYKGZFVSSBNKF-LBPRGKRZSA-N -2 0 395.506 3.329 20 0 GGADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832699974 602179071 /nfs/dbraw/zinc/17/90/71/602179071.db2.gz WHNPKAJZPQKMKA-UHFFFAOYSA-N -2 0 390.442 3.223 20 0 GGADRL CC(C)Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n[nH]1 ZINC000826909994 602211689 /nfs/dbraw/zinc/21/16/89/602211689.db2.gz ULELFVXOFNMRSP-UHFFFAOYSA-N -2 0 392.264 3.414 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3Cl)s2)cc1 ZINC000833324461 602212462 /nfs/dbraw/zinc/21/24/62/602212462.db2.gz QXEXOMZUCSKPJZ-UHFFFAOYSA-N -2 0 395.849 3.358 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3Cl)s2)c1 ZINC000833334146 602212689 /nfs/dbraw/zinc/21/26/89/602212689.db2.gz KNOBNLLRVNQWTQ-UHFFFAOYSA-N -2 0 395.849 3.358 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2cnc(C(C)C)s2)NC(=O)N1CCCCCC(=O)[O-] ZINC000828135242 602233148 /nfs/dbraw/zinc/23/31/48/602233148.db2.gz NUMAEACILZYODL-HNNXBMFYSA-N -2 0 395.481 3.336 20 0 GGADRL C[C@@H](CN(Cc1ccccc1)C(=O)c1nn(-c2ccccc2F)cc1[O-])C(=O)[O-] ZINC000827456613 602299075 /nfs/dbraw/zinc/29/90/75/602299075.db2.gz ZAJKKPMVEOWXBM-AWEZNQCLSA-N -2 0 397.406 3.080 20 0 GGADRL O=C([O-])c1cc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])ccc1Cl ZINC000833299579 602299608 /nfs/dbraw/zinc/29/96/08/602299608.db2.gz AWOGIGRUESITNI-UHFFFAOYSA-N -2 0 375.743 3.321 20 0 GGADRL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])cc2)n[nH]1 ZINC000832900815 602301395 /nfs/dbraw/zinc/30/13/95/602301395.db2.gz NTNBXODFRONCDU-UHFFFAOYSA-N -2 0 391.405 3.219 20 0 GGADRL CC(C)Cc1cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])[nH]n1 ZINC000826909867 602306093 /nfs/dbraw/zinc/30/60/93/602306093.db2.gz NMUDFCZAKKJRTO-UHFFFAOYSA-N -2 0 379.463 3.322 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000832852572 602306640 /nfs/dbraw/zinc/30/66/40/602306640.db2.gz AXNDRNDZGNLWNF-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)[nH]n2)ccc1C(=O)[O-] ZINC000832903751 602306656 /nfs/dbraw/zinc/30/66/56/602306656.db2.gz RCSDLWKZUWAGAL-UHFFFAOYSA-N -2 0 385.445 3.002 20 0 GGADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(C2CCCCCC2)[nH]n1 ZINC000833318131 602308537 /nfs/dbraw/zinc/30/85/37/602308537.db2.gz 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COC(=O)c1cc2cc([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)ccc2o1 ZINC000055610130 1407023544 /nfs/dbraw/zinc/02/35/44/1407023544.db2.gz RUCRSFSGUDEWMR-UHFFFAOYSA-N -2 0 395.414 3.088 20 0 GGADRL Cc1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000043321366 1403747493 /nfs/dbraw/zinc/74/74/93/1403747493.db2.gz QYFSCILLSZGURD-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000045774852 1404200268 /nfs/dbraw/zinc/20/02/68/1404200268.db2.gz BOQNHBWRXRWYSN-TWGQIWQCSA-N -2 0 395.458 3.132 20 0 GGADRL CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000045774853 1404200429 /nfs/dbraw/zinc/20/04/29/1404200429.db2.gz BOQNHBWRXRWYSN-RMKNXTFCSA-N -2 0 395.458 3.132 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1Cl ZINC000045947035 1404249658 /nfs/dbraw/zinc/24/96/58/1404249658.db2.gz BGFJAXHHPFYDQR-UHFFFAOYSA-N -2 0 399.852 3.473 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)cc1Cl ZINC000057118847 1407523115 /nfs/dbraw/zinc/52/31/15/1407523115.db2.gz RISQVDIOEVHFAX-UHFFFAOYSA-N -2 0 399.852 3.175 20 0 GGADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c(C)c1 ZINC000057120169 1407523950 /nfs/dbraw/zinc/52/39/50/1407523950.db2.gz TVPHANAGZGVGHP-UHFFFAOYSA-N -2 0 393.461 3.220 20 0 GGADRL CCCCOc1cccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c1 ZINC000057120809 1407524784 /nfs/dbraw/zinc/52/47/84/1407524784.db2.gz LVYVVELPQLSRKN-UHFFFAOYSA-N -2 0 393.461 3.302 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCCCOC ZINC000057120877 1407524917 /nfs/dbraw/zinc/52/49/17/1407524917.db2.gz LXOWDPKDJCNSIQ-UHFFFAOYSA-N -2 0 393.461 3.163 20 0 GGADRL CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000057124458 1407528167 /nfs/dbraw/zinc/52/81/67/1407528167.db2.gz PMVUNAQKMQFUSA-UHFFFAOYSA-N -2 0 396.490 3.038 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000063849238 1408427188 /nfs/dbraw/zinc/42/71/88/1408427188.db2.gz ZRBFZYCFEYQCQP-UHFFFAOYSA-N -2 0 393.461 3.048 20 0 GGADRL C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c1 ZINC000066587653 1408861794 /nfs/dbraw/zinc/86/17/94/1408861794.db2.gz KARBBVULFHUTPO-UHFFFAOYSA-N -2 0 391.445 3.078 20 0 GGADRL CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(C)c1 ZINC000070776230 1409773817 /nfs/dbraw/zinc/77/38/17/1409773817.db2.gz OSIIDEGUOZEPDA-NSHDSACASA-N -2 0 396.490 3.084 20 0 GGADRL Cc1ccc(-n2cc(S(=O)(=O)[N-]c3ccc4c(C(=O)[O-])c[nH]c4c3)cn2)cc1 ZINC000078869851 1409938969 /nfs/dbraw/zinc/93/89/69/1409938969.db2.gz GVWYNARYUAPQJS-UHFFFAOYSA-N -2 0 396.428 3.161 20 0 GGADRL Cc1sc(-c2ccco2)nc1C(=O)[N-]NC(=O)c1cc(Cl)ccc1O ZINC000105880451 1411128273 /nfs/dbraw/zinc/12/82/73/1411128273.db2.gz HDNIUZLISSSVFI-UHFFFAOYSA-N -2 0 377.809 3.145 20 0 GGADRL Cc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(C(=O)[O-])c1 ZINC000110283793 1411842527 /nfs/dbraw/zinc/84/25/27/1411842527.db2.gz KOOXEAUHULLZQB-UHFFFAOYSA-N -2 0 377.418 3.117 20 0 GGADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(F)(F)F)c1 ZINC000118301151 1413146163 /nfs/dbraw/zinc/14/61/63/1413146163.db2.gz LZHDFLSWYYSMLN-UHFFFAOYSA-N -2 0 391.371 3.068 20 0 GGADRL O=C(CCSc1ccc(Cl)cc1)Nc1cc(-c2nnn[n-]2)ccc1O ZINC000826407977 1428795506 /nfs/dbraw/zinc/79/55/06/1428795506.db2.gz KVQVHEFOEGCAQM-UHFFFAOYSA-N -2 0 375.841 3.347 20 0 GGADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000126873978 1415591863 /nfs/dbraw/zinc/59/18/63/1415591863.db2.gz QSPYULZDLJHOBE-UHFFFAOYSA-N -2 0 376.434 3.238 20 0 GGADRL CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000736480188 1429152097 /nfs/dbraw/zinc/15/20/97/1429152097.db2.gz LPTWMNFKBOIUAD-UHFFFAOYSA-N -2 0 394.460 3.349 20 0 GGADRL CCc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2-n2cccn2)cc1C(=O)[O-] ZINC000137470851 1417387196 /nfs/dbraw/zinc/38/71/96/1417387196.db2.gz GIEVRJCWTBTAST-UHFFFAOYSA-N -2 0 389.408 3.073 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cnn1CCC(C)C ZINC000137797444 1417396155 /nfs/dbraw/zinc/39/61/55/1417396155.db2.gz HBTQXBGGJRHYDL-UHFFFAOYSA-N -2 0 391.493 3.225 20 0 GGADRL Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151477984 1417993322 /nfs/dbraw/zinc/99/33/22/1417993322.db2.gz UBTHYCNAAYBJDZ-UHFFFAOYSA-N -2 0 386.411 3.175 20 0 GGADRL Cc1cc(C(=O)Nc2ccccc2-c2cccs2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151583623 1418031804 /nfs/dbraw/zinc/03/18/04/1418031804.db2.gz QDRPLPJRSAEDRM-UHFFFAOYSA-N -2 0 378.413 3.313 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1cc(C)ccc1C ZINC000179014527 1429242809 /nfs/dbraw/zinc/24/28/09/1429242809.db2.gz QSVFZUMXFZDSEX-UHFFFAOYSA-N -2 0 385.445 3.297 20 0 GGADRL CC(C)Cc1nnc([N-]C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)s1 ZINC000824279992 1429249094 /nfs/dbraw/zinc/24/90/94/1429249094.db2.gz AIWNNCAHSORRLB-UHFFFAOYSA-N -2 0 398.279 3.476 20 0 GGADRL Cc1cc(C(=O)N2CCCc3cc(C(C)(C)C)ccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000179438359 1429376263 /nfs/dbraw/zinc/37/62/63/1429376263.db2.gz LOIVBRQEQNSHHL-UHFFFAOYSA-N -2 0 392.459 3.223 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1 ZINC000179545066 1429422142 /nfs/dbraw/zinc/42/21/42/1429422142.db2.gz CNGVSYMBFKQFEP-UHFFFAOYSA-N -2 0 380.731 3.253 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C ZINC000152578633 1422151098 /nfs/dbraw/zinc/15/10/98/1422151098.db2.gz CWZLGJFVGMIFQM-UHFFFAOYSA-N -2 0 385.445 3.242 20 0 GGADRL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000154702188 1423006045 /nfs/dbraw/zinc/00/60/45/1423006045.db2.gz DUOHWJOCUZENCP-UHFFFAOYSA-N -2 0 382.228 3.477 20 0 GGADRL Cc1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000154833771 1423049366 /nfs/dbraw/zinc/04/93/66/1423049366.db2.gz FBPRWENURCCLJS-UHFFFAOYSA-N -2 0 387.399 3.328 20 0 GGADRL Cc1nc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)sc1C ZINC000826326909 1423536910 /nfs/dbraw/zinc/53/69/10/1423536910.db2.gz KGKQFGQKRRUASK-UHFFFAOYSA-N -2 0 381.465 3.261 20 0 GGADRL CSc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826230661 1423756894 /nfs/dbraw/zinc/75/68/94/1423756894.db2.gz DQPYURGDZANVLF-UHFFFAOYSA-N -2 0 381.870 3.043 20 0 GGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1C(=O)[O-] ZINC000156308785 1423770412 /nfs/dbraw/zinc/77/04/12/1423770412.db2.gz BOFAETCBDNHXMP-UHFFFAOYSA-N -2 0 375.381 3.023 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2-n2cccn2)c(C)c1C(=O)[O-] ZINC000156330993 1423782816 /nfs/dbraw/zinc/78/28/16/1423782816.db2.gz QRRKMPZZEWIPHR-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cnn1CCC(C)C ZINC000156375148 1423801328 /nfs/dbraw/zinc/80/13/28/1423801328.db2.gz JXAYKFZFLIITFY-UHFFFAOYSA-N -2 0 383.445 3.184 20 0 GGADRL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)sc1Cl ZINC000123637482 1423851248 /nfs/dbraw/zinc/85/12/48/1423851248.db2.gz NXJGIBQJTYSBMY-UHFFFAOYSA-N -2 0 376.250 3.036 20 0 GGADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1 ZINC000157684485 1424064911 /nfs/dbraw/zinc/06/49/11/1424064911.db2.gz QWTPFSCNKBFZDE-UHFFFAOYSA-N -2 0 380.328 3.119 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c1-c1nn[n-]n1 ZINC000826304108 1429705677 /nfs/dbraw/zinc/70/56/77/1429705677.db2.gz WRVCMOXZGMWKBK-UHFFFAOYSA-N -2 0 398.473 3.099 20 0 GGADRL C[C@@H](NC(=O)[N-]c1nncs1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824507425 1424203160 /nfs/dbraw/zinc/20/31/60/1424203160.db2.gz XIAKSAVROHHCIT-LLVKDONJSA-N -2 0 392.448 3.268 20 0 GGADRL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736668040 1424426872 /nfs/dbraw/zinc/42/68/72/1424426872.db2.gz ULYMWNSCRLEKJQ-UHFFFAOYSA-N -2 0 395.897 3.433 20 0 GGADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1 ZINC000160058934 1424567459 /nfs/dbraw/zinc/56/74/59/1424567459.db2.gz XHMXEEYKSJAQCX-UHFFFAOYSA-N -2 0 380.328 3.119 20 0 GGADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)c1C ZINC000160207201 1424587326 /nfs/dbraw/zinc/58/73/26/1424587326.db2.gz VGCFYNHDVUJOLE-UHFFFAOYSA-N -2 0 391.493 3.369 20 0 GGADRL O=C(COc1ccccc1-c1nnn[n-]1)Nc1cnc(-c2ccccc2)s1 ZINC000826419300 1424893212 /nfs/dbraw/zinc/89/32/12/1424893212.db2.gz ROMDVOUUSJKSLS-UHFFFAOYSA-N -2 0 378.417 3.008 20 0 GGADRL O=S(=O)(Nc1cccc(CCC(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823589396 1424954007 /nfs/dbraw/zinc/95/40/07/1424954007.db2.gz XZLPNYRXWWOGMF-UHFFFAOYSA-N -2 0 397.382 3.162 20 0 GGADRL O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)c1ccc(F)cc1[O-] ZINC000826459426 1425154229 /nfs/dbraw/zinc/15/42/29/1425154229.db2.gz JCRIXRTYGNKMNK-UHFFFAOYSA-N -2 0 382.380 3.087 20 0 GGADRL O=S(=O)([N-]c1ncc(C2CCCCC2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826493351 1425228833 /nfs/dbraw/zinc/22/88/33/1425228833.db2.gz GRLNYAFOJIHPCN-UHFFFAOYSA-N -2 0 390.494 3.172 20 0 GGADRL COc1ccccc1-c1csc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821877244 1425294606 /nfs/dbraw/zinc/29/46/06/1425294606.db2.gz FFYBLTIGRSOWFC-UHFFFAOYSA-N -2 0 392.444 3.180 20 0 GGADRL O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000823382682 1426256745 /nfs/dbraw/zinc/25/67/45/1426256745.db2.gz DAPNGXWEDDPKMV-UHFFFAOYSA-N -2 0 389.853 3.352 20 0 GGADRL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736665019 1426801611 /nfs/dbraw/zinc/80/16/11/1426801611.db2.gz CZKYBRCOLIRLMX-UHFFFAOYSA-N -2 0 395.897 3.433 20 0 GGADRL Cc1nc(-c2cccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)c2)cs1 ZINC000173669703 1426815519 /nfs/dbraw/zinc/81/55/19/1426815519.db2.gz KOCMFMRCUBNLBQ-UHFFFAOYSA-N -2 0 393.428 3.016 20 0 GGADRL CCCSc1nsc([N-]C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821138893 1427056885 /nfs/dbraw/zinc/05/68/85/1427056885.db2.gz JMFPCCTULYGZGJ-SECBINFHSA-N -2 0 390.498 3.103 20 0 GGADRL Cc1cc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000174371341 1427125694 /nfs/dbraw/zinc/12/56/94/1427125694.db2.gz CZADCRROJXPWLV-UHFFFAOYSA-N -2 0 393.428 3.072 20 0 GGADRL Cc1cc(C(=O)Nc2cccc(Nc3ccccc3)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000174806961 1427379338 /nfs/dbraw/zinc/37/93/38/1427379338.db2.gz ULYGITMXLWPPMD-UHFFFAOYSA-N -2 0 387.399 3.328 20 0 GGADRL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1n[n-]c2ccccc2c1=O ZINC000174922952 1427447494 /nfs/dbraw/zinc/44/74/94/1427447494.db2.gz FWFFNICGGGBSBJ-UHFFFAOYSA-N -2 0 394.612 3.297 20 0 GGADRL Cc1cc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)ccc2[nH]1 ZINC000826272936 1427809451 /nfs/dbraw/zinc/80/94/51/1427809451.db2.gz HSXIOBHPRHVRGP-UHFFFAOYSA-N -2 0 388.840 3.111 20 0 GGADRL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccccc1OC(C)(C)C ZINC000737301365 1427814315 /nfs/dbraw/zinc/81/43/15/1427814315.db2.gz KRIHBGDFQZTBBM-UHFFFAOYSA-N -2 0 387.465 3.153 20 0 GGADRL Cc1cc(C(=O)Nc2ccccc2Nc2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000180804427 1430050198 /nfs/dbraw/zinc/05/01/98/1430050198.db2.gz FBEVAQQZRYOACU-UHFFFAOYSA-N -2 0 387.399 3.328 20 0 GGADRL CC(C)Oc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000820156022 1430111835 /nfs/dbraw/zinc/11/18/35/1430111835.db2.gz ZSHBVIYVARBLAD-UHFFFAOYSA-N -2 0 399.432 3.201 20 0 GGADRL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000181785482 1430359819 /nfs/dbraw/zinc/35/98/19/1430359819.db2.gz APNBSGYNQUAXOE-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)[N-]N3Cc4ccccc4C3=O)n2)cc1 ZINC000183880012 1430807956 /nfs/dbraw/zinc/80/79/56/1430807956.db2.gz RNCLARLYGNDOPT-UHFFFAOYSA-N -2 0 376.416 3.002 20 0 GGADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000184656252 1430932082 /nfs/dbraw/zinc/93/20/82/1430932082.db2.gz HCMCWXKCOBEWFZ-ZDUSSCGKSA-N -2 0 393.509 3.220 20 0 GGADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1)C(=O)[O-] ZINC000184900660 1431016849 /nfs/dbraw/zinc/01/68/49/1431016849.db2.gz CRTLOMUYAORRQW-INIZCTEOSA-N -2 0 399.472 3.326 20 0 GGADRL O=S(=O)([N-]c1cc(Cl)c([O-])c(Cl)c1)c1cnn(CC(F)(F)F)c1 ZINC000187040193 1431597881 /nfs/dbraw/zinc/59/78/81/1431597881.db2.gz HTJAUGHLUSLELY-UHFFFAOYSA-N -2 0 390.170 3.259 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1ccccc1C ZINC000189457112 1432118181 /nfs/dbraw/zinc/11/81/81/1432118181.db2.gz LYTSPOXSVYYLSK-UHFFFAOYSA-N -2 0 391.474 3.304 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccc(C)cc3C)c2)sc1C(=O)[O-] ZINC000191898405 1432750444 /nfs/dbraw/zinc/75/04/44/1432750444.db2.gz CPKLWQZKPCVLNR-UHFFFAOYSA-N -2 0 391.474 3.358 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000194220353 1433141461 /nfs/dbraw/zinc/14/14/61/1433141461.db2.gz TVFOSANWQZFMHA-UHFFFAOYSA-N -2 0 377.466 3.422 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cnn1C1CCCC1 ZINC000194224404 1433142380 /nfs/dbraw/zinc/14/23/80/1433142380.db2.gz LFRDEJPECFPNQY-UHFFFAOYSA-N -2 0 381.429 3.253 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cnn1C1CCCC1 ZINC000194227274 1433143621 /nfs/dbraw/zinc/14/36/21/1433143621.db2.gz XUKHIPUHWIXHTI-UHFFFAOYSA-N -2 0 385.392 3.084 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cnn1C1CCCC1 ZINC000194230153 1433144175 /nfs/dbraw/zinc/14/41/75/1433144175.db2.gz NYIFWSVXQCESDM-UHFFFAOYSA-N -2 0 381.429 3.253 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)n2)cc1 ZINC000263197728 1433993823 /nfs/dbraw/zinc/99/38/23/1433993823.db2.gz UPFMRTFFUBFDPF-HNNXBMFYSA-N -2 0 385.464 3.418 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C)c1 ZINC000266086279 1434302464 /nfs/dbraw/zinc/30/24/64/1434302464.db2.gz OXKPAILTCKYWLM-UHFFFAOYSA-N -2 0 393.461 3.219 20 0 GGADRL O=S(=O)([N-]c1ccc(-c2nc([C@H]3CCCO3)no2)c([O-])c1)c1cccs1 ZINC000274193413 1435050184 /nfs/dbraw/zinc/05/01/84/1435050184.db2.gz QRXKAQXWXHNWPK-CYBMUJFWSA-N -2 0 393.446 3.156 20 0 GGADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000274727675 1435088057 /nfs/dbraw/zinc/08/80/57/1435088057.db2.gz HLZUPYAOHCHCLB-UHFFFAOYSA-N -2 0 391.371 3.068 20 0 GGADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000277559004 1435312758 /nfs/dbraw/zinc/31/27/58/1435312758.db2.gz RMDAWTDHFZEARJ-GMSGAONNSA-N -2 0 393.305 3.091 20 0 GGADRL O=C(Nc1cc(-c2nnn[n-]2)ccc1O)c1ccccc1SC(F)(F)F ZINC000826450985 1441629033 /nfs/dbraw/zinc/62/90/33/1441629033.db2.gz LJJDYYMMJBZNAC-UHFFFAOYSA-N -2 0 381.339 3.437 20 0 GGADRL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]c1nnc(C=Cc2ccco2)s1 ZINC000826408592 1442006734 /nfs/dbraw/zinc/00/67/34/1442006734.db2.gz NHMBIFLWHVUIDU-NTMALXAHSA-N -2 0 393.432 3.053 20 0 GGADRL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]c1nc(-c2cccs2)ns1 ZINC000826408821 1442186413 /nfs/dbraw/zinc/18/64/13/1442186413.db2.gz WQFBMWGBGHBWBF-UHFFFAOYSA-N -2 0 383.462 3.018 20 0 GGADRL C[C@@H](NC(=O)[N-]c1nnc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380394 1442376636 /nfs/dbraw/zinc/37/66/36/1442376636.db2.gz RVEABZDCQBNWPP-LLVKDONJSA-N -2 0 392.448 3.268 20 0 GGADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1C ZINC000822130336 1443077945 /nfs/dbraw/zinc/07/79/45/1443077945.db2.gz SYQBYPAINDKVOK-UHFFFAOYSA-N -2 0 387.396 3.170 20 0 GGADRL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000826186784 1443164804 /nfs/dbraw/zinc/16/48/04/1443164804.db2.gz KQBNEAOLMKTRLK-UHFFFAOYSA-N -2 0 393.494 3.035 20 0 GGADRL O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823382846 1443172638 /nfs/dbraw/zinc/17/26/38/1443172638.db2.gz DZUMFCHHMZPBIX-UHFFFAOYSA-N -2 0 389.853 3.352 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c1-c1nn[n-]n1 ZINC000826303967 1443227545 /nfs/dbraw/zinc/22/75/45/1443227545.db2.gz PCSFVORIBDZRAR-UHFFFAOYSA-N -2 0 392.444 3.038 20 0 GGADRL CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000825319061 1443332442 /nfs/dbraw/zinc/33/24/42/1443332442.db2.gz WKHPZTVHLLAQTD-UHFFFAOYSA-N -2 0 391.353 3.042 20 0 GGADRL CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000820183925 1443406935 /nfs/dbraw/zinc/40/69/35/1443406935.db2.gz MWQDGUWCRCMDSJ-UHFFFAOYSA-N -2 0 375.479 3.168 20 0 GGADRL CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(O)c1 ZINC000769639202 1443482255 /nfs/dbraw/zinc/48/22/55/1443482255.db2.gz UJNNHWOFKYNOPT-UHFFFAOYSA-N -2 0 396.407 3.172 20 0 GGADRL CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000736821816 1443590539 /nfs/dbraw/zinc/59/05/39/1443590539.db2.gz GJMQOJOHSSLJPM-UHFFFAOYSA-N -2 0 378.219 3.151 20 0 GGADRL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]c1nnc(CC2CCCCC2)s1 ZINC000737956153 1443779233 /nfs/dbraw/zinc/77/92/33/1443779233.db2.gz WHKIYXAUQGYVAQ-UHFFFAOYSA-N -2 0 383.481 3.022 20 0 GGADRL O=C(COc1ccccc1-c1nnn[n-]1)Nc1ncc(C2CCCCC2)s1 ZINC000826419231 1446100745 /nfs/dbraw/zinc/10/07/45/1446100745.db2.gz OUQFMKVIZPXQDO-UHFFFAOYSA-N -2 0 384.465 3.388 20 0 GGADRL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000824753610 1446170142 /nfs/dbraw/zinc/17/01/42/1446170142.db2.gz FMPFPYOPERDPDQ-QMMMGPOBSA-N -2 0 394.218 3.285 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c1-c1nn[n-]n1 ZINC000826304017 1446449696 /nfs/dbraw/zinc/44/96/96/1446449696.db2.gz RFYBEUQWFBEUBL-UHFFFAOYSA-N -2 0 398.473 3.099 20 0 GGADRL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cccnc1-c1ccccc1 ZINC000826280196 1447110477 /nfs/dbraw/zinc/11/04/77/1447110477.db2.gz QTKPOLSSKFPVAE-UHFFFAOYSA-N -2 0 392.444 3.038 20 0 GGADRL O=C(CSc1ccc(-c2nn[n-]n2)cc1)[N-]c1nnc(-c2ccccc2)s1 ZINC000737946415 1447295316 /nfs/dbraw/zinc/29/53/16/1447295316.db2.gz FTBDITAXSWVGNN-UHFFFAOYSA-N -2 0 395.473 3.116 20 0 GGADRL CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000821105225 1449575667 /nfs/dbraw/zinc/57/56/67/1449575667.db2.gz ZOASLPVOVCJWHJ-UHFFFAOYSA-N -2 0 389.818 3.417 20 0 GGADRL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cc(F)cc1Cl ZINC000435488615 1450049404 /nfs/dbraw/zinc/04/94/04/1450049404.db2.gz DCNHYKLDCKOOIV-UHFFFAOYSA-N -2 0 388.211 3.113 20 0 GGADRL Cc1ncc(-c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826329434 1450139412 /nfs/dbraw/zinc/13/94/12/1450139412.db2.gz CZLPJKRQMILCSX-UHFFFAOYSA-N -2 0 392.444 3.038 20 0 GGADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825722865 1450209847 /nfs/dbraw/zinc/20/98/47/1450209847.db2.gz MYYCQMAWJQSJBR-UHFFFAOYSA-N -2 0 377.857 3.192 20 0 GGADRL CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000819965428 1450307471 /nfs/dbraw/zinc/30/74/71/1450307471.db2.gz GNYNIOUVFRVLNN-UHFFFAOYSA-N -2 0 398.901 3.075 20 0 GGADRL Cc1cc(C)cc(-c2nnc([N-]C(=O)Cc3cccc(-c4nn[n-]n4)c3)s2)c1 ZINC000822196577 1450409602 /nfs/dbraw/zinc/40/96/02/1450409602.db2.gz OFPOPWFADKOLOS-UHFFFAOYSA-N -2 0 391.460 3.183 20 0 GGADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)C1CCCC1 ZINC000863954670 939243973 /nfs/dbraw/zinc/24/39/73/939243973.db2.gz ISIHYWAXIMLIQV-SFHVURJKSA-N -2 0 387.457 3.050 20 0 GGADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N[C@H]3C[C@@H](C(=O)[O-])c4ccccc43)n2)c1 ZINC001600426529 970807656 /nfs/dbraw/zinc/80/76/56/970807656.db2.gz OKJBFDJBGPATQR-ZBFHGGJFSA-N -2 0 395.390 3.068 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C#N)cc1C(=O)[O-] ZINC000322158184 970853362 /nfs/dbraw/zinc/85/33/62/970853362.db2.gz UWZRFVKHXKREAX-UHFFFAOYSA-N -2 0 395.234 3.128 20 0 GGADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000322397872 970882863 /nfs/dbraw/zinc/88/28/63/970882863.db2.gz QVCVFJSSSXBGIN-UHFFFAOYSA-N -2 0 386.760 3.314 20 0 GGADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1C#N ZINC000322906418 970943559 /nfs/dbraw/zinc/94/35/59/970943559.db2.gz FQIUUXVNADXVRW-UHFFFAOYSA-N -2 0 395.234 3.128 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)c1C(=O)[O-] ZINC000323538125 971013869 /nfs/dbraw/zinc/01/38/69/971013869.db2.gz NOQYWXQYCLOQAN-UHFFFAOYSA-N -2 0 399.222 3.030 20 0 GGADRL O=C([O-])[C@@H]1C[C@H](NC(=O)c2cccc(Br)c2[O-])c2ccccc21 ZINC001601573328 971022553 /nfs/dbraw/zinc/02/25/53/971022553.db2.gz NVSCYIITOMYMAL-OCCSQVGLSA-N -2 0 376.206 3.198 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1C(=O)[O-] ZINC000324043643 971076933 /nfs/dbraw/zinc/07/69/33/971076933.db2.gz RZVTZISAYPLQQN-UHFFFAOYSA-N -2 0 382.747 3.196 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)nc1 ZINC000324435681 971120561 /nfs/dbraw/zinc/12/05/61/971120561.db2.gz APPPBTZKQLCWJJ-UHFFFAOYSA-N -2 0 380.731 3.253 20 0 GGADRL CSc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)cc2s1 ZINC000324882669 971166482 /nfs/dbraw/zinc/16/64/82/971166482.db2.gz KWMAIGVUCSHVGS-UHFFFAOYSA-N -2 0 384.460 3.419 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c(Cl)cc1Cl ZINC000324887528 971166996 /nfs/dbraw/zinc/16/69/96/971166996.db2.gz NLOQZEIOYXKZLJ-UHFFFAOYSA-N -2 0 386.216 3.369 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)c1C(=O)[O-] ZINC000324982957 971174571 /nfs/dbraw/zinc/17/45/71/971174571.db2.gz QASIODYCVLQAMX-UHFFFAOYSA-N -2 0 387.826 3.054 20 0 GGADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])cc1Cl ZINC000325691747 971235765 /nfs/dbraw/zinc/23/57/65/971235765.db2.gz CREQUXGXDYZHBD-UHFFFAOYSA-N -2 0 388.854 3.167 20 0 GGADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000325759753 971241347 /nfs/dbraw/zinc/24/13/47/971241347.db2.gz UQBCDEJFKPOYCE-UHFFFAOYSA-N -2 0 381.353 3.454 20 0 GGADRL COc1ccc2nc([N-]S(=O)(=O)c3c(C)csc3C(=O)[O-])sc2c1 ZINC000325863217 971249829 /nfs/dbraw/zinc/24/98/29/971249829.db2.gz FXBAWKROEBXSML-UHFFFAOYSA-N -2 0 384.460 3.174 20 0 GGADRL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000326639715 971312029 /nfs/dbraw/zinc/31/20/29/971312029.db2.gz VVQNPGBDWYEJIN-UHFFFAOYSA-N -2 0 385.825 3.333 20 0 GGADRL CC(C)(C)c1csc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)n1 ZINC000326676032 971316140 /nfs/dbraw/zinc/31/61/40/971316140.db2.gz MFUYFRIYNHSLTH-UHFFFAOYSA-N -2 0 384.479 3.095 20 0 GGADRL CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000326702985 971319152 /nfs/dbraw/zinc/31/91/52/971319152.db2.gz WMUXVOCFUOJBKW-UHFFFAOYSA-N -2 0 383.447 3.204 20 0 GGADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1Cl ZINC000327037289 971358919 /nfs/dbraw/zinc/35/89/19/971358919.db2.gz TYFHGYQHWRENKB-UHFFFAOYSA-N -2 0 386.813 3.007 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c1C(=O)[O-] ZINC000327143155 971370869 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378.650 3.285 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)cc1 ZINC001344041262 962170081 /nfs/dbraw/zinc/17/00/81/962170081.db2.gz MKLURNBEETYIGK-UHFFFAOYSA-N -2 0 380.731 3.253 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cn(C)nc2C2CCCCC2)cc1C(=O)[O-] ZINC000294954341 962910000 /nfs/dbraw/zinc/91/00/00/962910000.db2.gz BCXYGHBMLGDIKI-UHFFFAOYSA-N -2 0 377.466 3.275 20 0 GGADRL N#Cc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc1F ZINC000307917880 963239564 /nfs/dbraw/zinc/23/95/64/963239564.db2.gz SBRCHJHJMYXDSK-UHFFFAOYSA-N -2 0 376.390 3.411 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)c1C(=O)[O-] ZINC000314108706 963712680 /nfs/dbraw/zinc/71/26/80/963712680.db2.gz JUTYDQNXUOTLGH-UHFFFAOYSA-N -2 0 388.239 3.466 20 0 GGADRL Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000320681551 970698210 /nfs/dbraw/zinc/69/82/10/970698210.db2.gz UWIDVJKOADJMGX-UHFFFAOYSA-N -2 0 395.234 3.128 20 0 GGADRL COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000393193002 972569852 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ABSSYLSPXQNUEF-UHFFFAOYSA-N -2 0 393.314 3.152 20 0 GGADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000427269691 974051962 /nfs/dbraw/zinc/05/19/62/974051962.db2.gz MOFYQKAHYVIQNA-UHFFFAOYSA-N -2 0 393.314 3.152 20 0 GGADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C=Cc1ccc(C(=O)[O-])o1 ZINC001603672744 974052564 /nfs/dbraw/zinc/05/25/64/974052564.db2.gz QITLOKWGPMIMHM-GQCTYLIASA-N -2 0 387.417 3.140 20 0 GGADRL Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cccc1-c1ncco1 ZINC000427320687 974053231 /nfs/dbraw/zinc/05/32/31/974053231.db2.gz NIOQFQIFAJMLLR-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000430990348 974061475 /nfs/dbraw/zinc/06/14/75/974061475.db2.gz WKBBDHLWZDUXSM-UHFFFAOYSA-N -2 0 391.445 3.387 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)ccc1C(=O)[O-] ZINC000432782014 974095994 /nfs/dbraw/zinc/09/59/94/974095994.db2.gz VGFOXXWCAGVKNL-UHFFFAOYSA-N -2 0 379.365 3.388 20 0 GGADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000436016665 974099495 /nfs/dbraw/zinc/09/94/95/974099495.db2.gz SXMQVELJAFHZSZ-UHFFFAOYSA-N -2 0 397.456 3.307 20 0 GGADRL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2)o1 ZINC000438757220 974100538 /nfs/dbraw/zinc/10/05/38/974100538.db2.gz RJBFOZPWFFKXIU-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438765845 974102634 /nfs/dbraw/zinc/10/26/34/974102634.db2.gz VCINHGDBJNHCNN-UHFFFAOYSA-N -2 0 396.421 3.251 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)c(F)c1 ZINC000438808052 974106720 /nfs/dbraw/zinc/10/67/20/974106720.db2.gz ILEUGHXHXSGNKR-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc2O1 ZINC000442853414 974119900 /nfs/dbraw/zinc/11/99/00/974119900.db2.gz ZQFTYRWRANLXQX-QGZVFWFLSA-N -2 0 381.381 3.222 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(F)c1 ZINC000443413728 974121765 /nfs/dbraw/zinc/12/17/65/974121765.db2.gz GPJDHSCZJIVBIR-UHFFFAOYSA-N -2 0 397.302 3.167 20 0 GGADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000446631796 974123371 /nfs/dbraw/zinc/12/33/71/974123371.db2.gz PHEKSTBTXOHIBH-UHFFFAOYSA-N -3 0 397.474 3.172 20 0 GGADRL CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000446631023 974124149 /nfs/dbraw/zinc/12/41/49/974124149.db2.gz IZWDICHGTWDJDM-UHFFFAOYSA-N -2 0 397.474 3.267 20 0 GGADRL Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(SCCC(=O)[O-])c1 ZINC000460446184 974183213 /nfs/dbraw/zinc/18/32/13/974183213.db2.gz UZTQNKFFWMIFOY-UHFFFAOYSA-N -2 0 395.458 3.061 20 0 GGADRL CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000462067747 974183475 /nfs/dbraw/zinc/18/34/75/974183475.db2.gz OPVGNMUSRRHXMG-UHFFFAOYSA-N -2 0 396.852 3.434 20 0 GGADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000460842795 974183646 /nfs/dbraw/zinc/18/36/46/974183646.db2.gz MZMYZBUPWUFUGQ-UHFFFAOYSA-N -2 0 393.314 3.374 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)cc1F ZINC000462058028 974183876 /nfs/dbraw/zinc/18/38/76/974183876.db2.gz KHCIMYLTPNLMIA-UHFFFAOYSA-N -2 0 393.314 3.266 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c2ncccc12 ZINC000463795194 974187402 /nfs/dbraw/zinc/18/74/02/974187402.db2.gz WBFGINMNGRJEKP-UHFFFAOYSA-N -2 0 386.429 3.441 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)ccc1OC(C)C ZINC000463787437 974187524 /nfs/dbraw/zinc/18/75/24/974187524.db2.gz KBBACMGKDATNEP-UHFFFAOYSA-N -2 0 383.397 3.121 20 0 GGADRL CC[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1)C(=O)[O-] ZINC000463784333 974187916 /nfs/dbraw/zinc/18/79/16/974187916.db2.gz SPLFQMKHVMVFOW-AWEZNQCLSA-N -2 0 391.445 3.147 20 0 GGADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)c2)oc1C ZINC000467751046 974191733 /nfs/dbraw/zinc/19/17/33/974191733.db2.gz DNMJYQNPNNZBQV-UHFFFAOYSA-N -2 0 376.390 3.359 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnc(Sc2ccccn2)c1 ZINC000467753062 974192000 /nfs/dbraw/zinc/19/20/00/974192000.db2.gz NTBWVYDYRMBVQS-UHFFFAOYSA-N -2 0 391.430 3.028 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)cc1Cl ZINC000470450563 974194163 /nfs/dbraw/zinc/19/41/63/974194163.db2.gz BVRJXLNTFSCBMH-NSHDSACASA-N -2 0 397.836 3.007 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)c(F)c1 ZINC000473719675 974201701 /nfs/dbraw/zinc/20/17/01/974201701.db2.gz ZGAPNRZHSPFAAX-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC000484217992 974220772 /nfs/dbraw/zinc/22/07/72/974220772.db2.gz GRXDZABGSMPGSC-UHFFFAOYSA-N -2 0 383.397 3.121 20 0 GGADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000485271799 974225456 /nfs/dbraw/zinc/22/54/56/974225456.db2.gz WXRSYNBVMMOZKZ-UHFFFAOYSA-N -2 0 383.397 3.121 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1CCC(C)C ZINC000491669386 974257494 /nfs/dbraw/zinc/25/74/94/974257494.db2.gz MFSWXLMERJHGKJ-UHFFFAOYSA-N -2 0 379.482 3.299 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000507617946 974278209 /nfs/dbraw/zinc/27/82/09/974278209.db2.gz BHUXBRLRTIKEPU-LLVKDONJSA-N -2 0 395.458 3.059 20 0 GGADRL CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)ccc2O1 ZINC000507580783 974278462 /nfs/dbraw/zinc/27/84/62/974278462.db2.gz QBERPXKMMPYNLM-UHFFFAOYSA-N -2 0 393.392 3.069 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c2ncccc12 ZINC000507901442 974279410 /nfs/dbraw/zinc/27/94/10/974279410.db2.gz INUQZXQKHGTQDW-UHFFFAOYSA-N -2 0 386.429 3.441 20 0 GGADRL CC(C)Oc1c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)cccc1C(=O)[O-] ZINC000507940720 974279963 /nfs/dbraw/zinc/27/99/63/974279963.db2.gz VCXUFXBUXXTXFO-UHFFFAOYSA-N -2 0 396.465 3.399 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cccc1C(=O)Nc1ccccc1 ZINC000509579666 974284257 /nfs/dbraw/zinc/28/42/57/974284257.db2.gz VSRCFKNFTCWXNL-UHFFFAOYSA-N 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Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(F)F ZINC000535506348 974379648 /nfs/dbraw/zinc/37/96/48/974379648.db2.gz CAOAHVHSSOTXDU-UHFFFAOYSA-N -2 0 387.408 3.284 20 0 GGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C1CC1 ZINC000536495822 974379985 /nfs/dbraw/zinc/37/99/85/974379985.db2.gz DQNAMCFGBONWSG-SNVBAGLBSA-N -2 0 381.429 3.370 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)nn1-c1ccccc1 ZINC000538938149 974393674 /nfs/dbraw/zinc/39/36/74/974393674.db2.gz BBJWAUBXUNZGHN-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)nn1-c1cc(C)cc(C)c1 ZINC000539596772 974396566 /nfs/dbraw/zinc/39/65/66/974396566.db2.gz GTHROZZYLFXWRB-UHFFFAOYSA-N -2 0 391.474 3.358 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)c1C ZINC000540924330 974410282 /nfs/dbraw/zinc/41/02/82/974410282.db2.gz LGDYXXZUHMABPQ-UHFFFAOYSA-N -2 0 389.458 3.321 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C2CCCCC2)cc1C ZINC000544097294 974419581 /nfs/dbraw/zinc/41/95/81/974419581.db2.gz NWXHKIAZNBPROR-UHFFFAOYSA-N -2 0 393.465 3.204 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000544645340 974422160 /nfs/dbraw/zinc/42/21/60/974422160.db2.gz NGVSYIIQCUKPJW-CYBMUJFWSA-N -2 0 391.445 3.066 20 0 GGADRL O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000547545939 974434870 /nfs/dbraw/zinc/43/48/70/974434870.db2.gz XFPKMGXTORIWDJ-UHFFFAOYSA-N -2 0 391.836 3.084 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000551475783 974478238 /nfs/dbraw/zinc/47/82/38/974478238.db2.gz YBVLRTUQVUGONP-UHFFFAOYSA-N -2 0 391.445 3.387 20 0 GGADRL COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000564549598 974549321 /nfs/dbraw/zinc/54/93/21/974549321.db2.gz FUWXCUQCAPOWLR-UHFFFAOYSA-N -2 0 391.445 3.025 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1C(CC)CC ZINC000572774657 974754215 /nfs/dbraw/zinc/75/42/15/974754215.db2.gz VHBBIYNHUPSVAE-UHFFFAOYSA-N -2 0 379.482 3.235 20 0 GGADRL CC(C)OCCOCc1cccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC001591726581 975689436 /nfs/dbraw/zinc/68/94/36/975689436.db2.gz HDMBQWDAQVTUGB-UHFFFAOYSA-N -2 0 399.490 3.189 20 0 GGADRL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC001591755210 975817538 /nfs/dbraw/zinc/81/75/38/975817538.db2.gz FKNOYMXZCZNXFD-UHFFFAOYSA-N -2 0 385.388 3.180 20 0 GGADRL CCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1C(F)(F)F ZINC000685001735 976091980 /nfs/dbraw/zinc/09/19/80/976091980.db2.gz IDEODQLFXCKSDS-UHFFFAOYSA-N -2 0 391.371 3.038 20 0 GGADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001591861971 976160132 /nfs/dbraw/zinc/16/01/32/976160132.db2.gz SODQWQZSCQAXJT-LBPRGKRZSA-N -2 0 388.367 3.241 20 0 GGADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1cccc(Br)c1Cl ZINC000690867267 976339401 /nfs/dbraw/zinc/33/94/01/976339401.db2.gz XBBYVPXFGZTERU-UHFFFAOYSA-N -2 0 397.659 3.058 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@H]4CCCC[C@@]4(C(=O)[O-])C3)n2)cc1 ZINC001591943358 976478061 /nfs/dbraw/zinc/47/80/61/976478061.db2.gz HPBQXSBEKIPQMO-OPAMFIHVSA-N -2 0 397.475 3.418 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3CC[C@@]4(C(=O)[O-])CCC[C@@H]34)n2)c1 ZINC001591982731 976600235 /nfs/dbraw/zinc/60/02/35/976600235.db2.gz CYQMYRGRJCZEAY-UTKZUKDTSA-N -2 0 383.448 3.171 20 0 GGADRL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1 ZINC001591994936 976637895 /nfs/dbraw/zinc/63/78/95/976637895.db2.gz XKQUENXFOTWMLO-UHFFFAOYSA-N -2 0 379.478 3.040 20 0 GGADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)c1 ZINC000694173838 976674824 /nfs/dbraw/zinc/67/48/24/976674824.db2.gz WVTBEPZBFQMMGF-UHFFFAOYSA-N -2 0 380.603 3.195 20 0 GGADRL CC(C)c1nc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)sc1C(=O)[O-] ZINC001592030481 976736720 /nfs/dbraw/zinc/73/67/20/976736720.db2.gz PJVDMTPQSQIWBA-UHFFFAOYSA-N -2 0 382.463 3.091 20 0 GGADRL CC(C)n1cc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n1 ZINC001592131245 976964264 /nfs/dbraw/zinc/96/42/64/976964264.db2.gz FDGVPZHIRFMGQP-UHFFFAOYSA-N -2 0 378.237 3.270 20 0 GGADRL CC(C)n1ncc2cc([N-]S(=O)(=O)c3c(Cl)cccc3C(=O)[O-])cnc21 ZINC001592163088 977048532 /nfs/dbraw/zinc/04/85/32/977048532.db2.gz OSFHCQHOPFQKTR-UHFFFAOYSA-N -2 0 394.840 3.165 20 0 GGADRL C[C@H](/C=C/C(=O)[O-])NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001592215709 977276548 /nfs/dbraw/zinc/27/65/48/977276548.db2.gz BLUVPBLMKYWIJD-OSOUNJMWSA-N -2 0 394.836 3.119 20 0 GGADRL C[C@@](CC(=O)Nc1ccc(CC(=O)[O-])cc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001592271030 977540009 /nfs/dbraw/zinc/54/00/09/977540009.db2.gz VQPMRLAFWWWOKF-IBGZPJMESA-N -2 0 375.808 3.338 20 0 GGADRL C[C@@](CC(=O)[O-])(C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1ccsc1 ZINC001592278416 977563458 /nfs/dbraw/zinc/56/34/58/977563458.db2.gz VPLAPHUSCWLRSW-BEFAXECRSA-N -2 0 375.446 3.203 20 0 GGADRL C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC001592423838 978041635 /nfs/dbraw/zinc/04/16/35/978041635.db2.gz IAZQLMPKNXUDRU-JTQLQIEISA-N -2 0 397.836 3.417 20 0 GGADRL C[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001592466305 978212249 /nfs/dbraw/zinc/21/22/49/978212249.db2.gz VYSJQAGYYXHERH-NSHDSACASA-N -2 0 387.885 3.450 20 0 GGADRL C[C@H](CCC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001592470678 978224184 /nfs/dbraw/zinc/22/41/84/978224184.db2.gz KKNJNQQHYLAMDG-LLVKDONJSA-N -2 0 397.399 3.052 20 0 GGADRL CC(C)(C)c1ccc([C@@H]([N-]S(=O)(=O)CCCC(=O)[O-])C(F)(F)F)cc1 ZINC000736299003 978318467 /nfs/dbraw/zinc/31/84/67/978318467.db2.gz YRQZQWLYNHPUCM-CQSZACIVSA-N -2 0 381.416 3.372 20 0 GGADRL CC(C)C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000736401092 978329303 /nfs/dbraw/zinc/32/93/03/978329303.db2.gz BWUQALHIWILOHH-KRWDZBQOSA-N -2 0 375.446 3.020 20 0 GGADRL C[C@](CCF)([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)[O-] ZINC001592507849 978329810 /nfs/dbraw/zinc/32/98/10/978329810.db2.gz OOHXRBQFCLNBCV-LLVKDONJSA-N -2 0 378.636 3.128 20 0 GGADRL CC(C)C[C@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccccc1 ZINC000736401281 978330322 /nfs/dbraw/zinc/33/03/22/978330322.db2.gz GEYYGORSWWGJJV-ZDUSSCGKSA-N -2 0 381.475 3.081 20 0 GGADRL CC(C)C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000736401831 978330504 /nfs/dbraw/zinc/33/05/04/978330504.db2.gz MKPASKXXFXMDPQ-ZDUSSCGKSA-N -2 0 381.475 3.081 20 0 GGADRL CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000737353198 978398738 /nfs/dbraw/zinc/39/87/38/978398738.db2.gz ZKJOHTQVMPDEPC-UHFFFAOYSA-N -2 0 386.476 3.021 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)c2cccnc12 ZINC000738107701 978478581 /nfs/dbraw/zinc/47/85/81/978478581.db2.gz PENCLDQGOPJGPU-UHFFFAOYSA-N -2 0 378.431 3.112 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000738239890 978506104 /nfs/dbraw/zinc/50/61/04/978506104.db2.gz KWXORUQRGPHKLV-UHFFFAOYSA-N -2 0 395.380 3.497 20 0 GGADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCCCC(=O)[O-])c1 ZINC000738263604 978509375 /nfs/dbraw/zinc/50/93/75/978509375.db2.gz HGADXALHCHNWEZ-UHFFFAOYSA-N -2 0 391.445 3.126 20 0 GGADRL Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2O)C(=O)[O-])cc1 ZINC000738566719 978562331 /nfs/dbraw/zinc/56/23/31/978562331.db2.gz HWHVFPMRQSAHJN-CQSZACIVSA-N -2 0 378.222 3.061 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000739673526 978648627 /nfs/dbraw/zinc/64/86/27/978648627.db2.gz FGVOUBBUOZPYRX-AWEZNQCLSA-N -2 0 397.836 3.007 20 0 GGADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000742231717 978676654 /nfs/dbraw/zinc/67/66/54/978676654.db2.gz FFRDTPPMRKRUFO-UHFFFAOYSA-N -2 0 399.371 3.285 20 0 GGADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000745978362 978680104 /nfs/dbraw/zinc/68/01/04/978680104.db2.gz UDNSYQJFPMADIC-UHFFFAOYSA-N -3 0 381.381 3.146 20 0 GGADRL COC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000746054624 978680519 /nfs/dbraw/zinc/68/05/19/978680519.db2.gz VRLVTUXVRKLPMR-UHFFFAOYSA-N -2 0 389.385 3.027 20 0 GGADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3Cl)c2)c1 ZINC000749141587 978688410 /nfs/dbraw/zinc/68/84/10/978688410.db2.gz GMVKCLTXIVCVKL-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000754740057 978695876 /nfs/dbraw/zinc/69/58/76/978695876.db2.gz IQVGXXCAKRABND-UHFFFAOYSA-N -2 0 387.335 3.407 20 0 GGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1)C(=O)[O-] ZINC000758171137 978704479 /nfs/dbraw/zinc/70/44/79/978704479.db2.gz UJEPGGPFYBDBDY-JTQLQIEISA-N -3 0 397.836 3.102 20 0 GGADRL Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc(C(=O)[O-])c1Cl ZINC000759097514 978705418 /nfs/dbraw/zinc/70/54/18/978705418.db2.gz QEIXRHGBMATDSP-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1OC(C)C ZINC000760524932 978706070 /nfs/dbraw/zinc/70/60/70/978706070.db2.gz LWAIARLIBMUBIN-UHFFFAOYSA-N -2 0 383.397 3.121 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c1 ZINC000768283841 978737838 /nfs/dbraw/zinc/73/78/38/978737838.db2.gz VSQDACHQCNZPBF-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)no1 ZINC000768498636 978738325 /nfs/dbraw/zinc/73/83/25/978738325.db2.gz UFIJGKBAVKOGCX-UHFFFAOYSA-N -2 0 393.808 3.197 20 0 GGADRL Cc1nc(C)c([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)s1 ZINC000769633001 978742394 /nfs/dbraw/zinc/74/23/94/978742394.db2.gz GJOBPMGEIOOOON-UHFFFAOYSA-N -2 0 397.297 3.083 20 0 GGADRL Cc1cc(F)cc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)c1 ZINC000769634780 978742421 /nfs/dbraw/zinc/74/24/21/978742421.db2.gz VTUGGZCTIQZGIR-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1ccc(F)cc1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000769621390 978742525 /nfs/dbraw/zinc/74/25/25/978742525.db2.gz OPLIPGHHQUWKCR-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1C1CC1 ZINC000769867453 978743237 /nfs/dbraw/zinc/74/32/37/978743237.db2.gz CLGGGDILBDQCPP-UHFFFAOYSA-N -2 0 390.248 3.103 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)ccc1F ZINC000775467157 978747651 /nfs/dbraw/zinc/74/76/51/978747651.db2.gz LBCDIGLTXQIZGE-UHFFFAOYSA-N -2 0 380.180 3.337 20 0 GGADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1F ZINC000775294872 978747707 /nfs/dbraw/zinc/74/77/07/978747707.db2.gz WSBQAYDUTTUIDB-UHFFFAOYSA-N -2 0 391.779 3.434 20 0 GGADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776504231 978750720 /nfs/dbraw/zinc/75/07/20/978750720.db2.gz RDOJFUOKLZOOEF-UHFFFAOYSA-N -2 0 395.305 3.498 20 0 GGADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000776748182 978774967 /nfs/dbraw/zinc/77/49/67/978774967.db2.gz YQEQLZOSLJZGLY-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1O ZINC000778567718 978782509 /nfs/dbraw/zinc/78/25/09/978782509.db2.gz JILZLAKUJICREV-UHFFFAOYSA-N -2 0 392.216 3.207 20 0 GGADRL Cc1ccc(F)c(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)n[nH]2)c1 ZINC000780408962 978790632 /nfs/dbraw/zinc/79/06/32/978790632.db2.gz QTUPZOZVRYGNGC-UHFFFAOYSA-N -2 0 393.371 3.162 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)nn1[C@H](C)C1CC1 ZINC000783850005 978793785 /nfs/dbraw/zinc/79/37/85/978793785.db2.gz TXPSVVMOEPZFFY-LLVKDONJSA-N -2 0 381.429 3.109 20 0 GGADRL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000783835985 978794020 /nfs/dbraw/zinc/79/40/20/978794020.db2.gz SMKPVOHPMIFVQZ-UHFFFAOYSA-N -2 0 385.241 3.020 20 0 GGADRL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000783874746 978794701 /nfs/dbraw/zinc/79/47/01/978794701.db2.gz XTIRPHHMGFLTGB-UHFFFAOYSA-N -2 0 389.763 3.320 20 0 GGADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000793350194 978802852 /nfs/dbraw/zinc/80/28/52/978802852.db2.gz HFXYPHVBCQZSQZ-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1c(C(=O)[O-])cccc1C(C)C ZINC000793381979 978805005 /nfs/dbraw/zinc/80/50/05/978805005.db2.gz RPSWSQZVFMNTIY-UHFFFAOYSA-N -2 0 395.408 3.455 20 0 GGADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000793405155 978807482 /nfs/dbraw/zinc/80/74/82/978807482.db2.gz NBKOPWPYJFKCOE-UHFFFAOYSA-N -2 0 381.410 3.085 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)nn1[C@@H](C)C1CC1 ZINC000793407965 978808083 /nfs/dbraw/zinc/80/80/83/978808083.db2.gz ISMGHZGQJILASQ-NSHDSACASA-N -2 0 381.429 3.109 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)nn1-c1ccccc1 ZINC000793417632 978809636 /nfs/dbraw/zinc/80/96/36/978809636.db2.gz YLPNMRDJUJSLEO-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL CC1(C)CC(=O)c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc2O1 ZINC000795364369 978832235 /nfs/dbraw/zinc/83/22/35/978832235.db2.gz SYUHYRWECHQFBP-UHFFFAOYSA-N -2 0 393.392 3.069 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)cc1C(=O)[O-] ZINC000800837511 978847497 /nfs/dbraw/zinc/84/74/97/978847497.db2.gz KVLWIDQKMOSMDJ-UHFFFAOYSA-N -2 0 379.821 3.276 20 0 GGADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000800845069 978848052 /nfs/dbraw/zinc/84/80/52/978848052.db2.gz ZHVZUNDSTTXMMM-UHFFFAOYSA-N -2 0 378.303 3.047 20 0 GGADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1OC(C)C ZINC000808111895 978851629 /nfs/dbraw/zinc/85/16/29/978851629.db2.gz UPODZRWIIMEBFP-UHFFFAOYSA-N -2 0 384.841 3.330 20 0 GGADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1C1CC1 ZINC000808119410 978851713 /nfs/dbraw/zinc/85/17/13/978851713.db2.gz NIFJGKDPKAYQGL-UHFFFAOYSA-N -2 0 381.429 3.055 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)nn1C1CCCCC1 ZINC000811717956 978855981 /nfs/dbraw/zinc/85/59/81/978855981.db2.gz CYNICRBTKRSAHO-UHFFFAOYSA-N -2 0 399.419 3.474 20 0 GGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)c1C1CC1 ZINC001595025666 979131081 /nfs/dbraw/zinc/13/10/81/979131081.db2.gz ALJYNZUSMWFIIC-LLVKDONJSA-N -2 0 393.465 3.239 20 0 GGADRL CCC(CC)c1nnc([N-]S(=O)(=O)c2cc(COC)cc(C(=O)[O-])c2)s1 ZINC001595122253 979503446 /nfs/dbraw/zinc/50/34/46/979503446.db2.gz YOWOZVCMCYNOMM-UHFFFAOYSA-N -2 0 399.494 3.087 20 0 GGADRL O=C([O-])[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000851604678 979529233 /nfs/dbraw/zinc/52/92/33/979529233.db2.gz DCEJCZPHZNKVKB-MRVPVSSYSA-N -2 0 390.102 3.063 20 0 GGADRL C[C@H](Cc1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)o1)CC(C)(C)C ZINC001592913000 979884155 /nfs/dbraw/zinc/88/41/55/979884155.db2.gz RIWRXRUYLOHNOW-SNVBAGLBSA-N -2 0 399.444 3.323 20 0 GGADRL CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000885416570 980211548 /nfs/dbraw/zinc/21/15/48/980211548.db2.gz HTUPHHNYXLRYLM-UHFFFAOYSA-N -2 0 394.424 3.309 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000901849189 980573691 /nfs/dbraw/zinc/57/36/91/980573691.db2.gz CMLBLUNTFWHLDH-UHFFFAOYSA-N -2 0 388.401 3.213 20 0 GGADRL CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])cc2O1 ZINC001595372261 980859995 /nfs/dbraw/zinc/85/99/95/980859995.db2.gz BZCIRORGUJTNMY-QGZVFWFLSA-N -2 0 381.406 3.293 20 0 GGADRL CCC[C@@](C)([N-]S(=O)(=O)c1oc2ccccc2c1Br)C(=O)[O-] ZINC001595566504 981461356 /nfs/dbraw/zinc/46/13/56/981461356.db2.gz QPBWNFPOOLGVQH-CQSZACIVSA-N -2 0 390.255 3.117 20 0 GGADRL CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001595570650 981474433 /nfs/dbraw/zinc/47/44/33/981474433.db2.gz GMWSRGIZPIPZQB-VIFPVBQESA-N -2 0 381.372 3.035 20 0 GGADRL CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-])C(=O)[O-] ZINC001595571558 981480069 /nfs/dbraw/zinc/48/00/69/981480069.db2.gz SNCPLRPMADVKJO-ZYHUDNBSSA-N -2 0 399.490 3.157 20 0 GGADRL CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2C1 ZINC001595580324 981516075 /nfs/dbraw/zinc/51/60/75/981516075.db2.gz DSHDFLMIWRWKMD-LBPRGKRZSA-N -2 0 377.466 3.018 20 0 GGADRL CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2C1 ZINC001595580323 981516138 /nfs/dbraw/zinc/51/61/38/981516138.db2.gz DSHDFLMIWRWKMD-GFCCVEGCSA-N -2 0 377.466 3.018 20 0 GGADRL CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2C1 ZINC001595580298 981516290 /nfs/dbraw/zinc/51/62/90/981516290.db2.gz DGNCRVDZPWVNPO-ZDUSSCGKSA-N -2 0 391.493 3.028 20 0 GGADRL CCC[C@H]1CCc2nc([N-]S(=O)(=O)c3cccc(CC(=O)[O-])c3)sc2C1 ZINC001595623663 981723509 /nfs/dbraw/zinc/72/35/09/981723509.db2.gz XEQYOZWKAGPSCI-LBPRGKRZSA-N -2 0 394.518 3.476 20 0 GGADRL CCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001595631225 981835552 /nfs/dbraw/zinc/83/55/52/981835552.db2.gz HZEQBVKIQKOPLD-VIFPVBQESA-N -2 0 381.372 3.035 20 0 GGADRL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595632133 981849939 /nfs/dbraw/zinc/84/99/39/981849939.db2.gz AEHBVBHZJLYMMD-SNVBAGLBSA-N -2 0 377.409 3.074 20 0 GGADRL CCCC[C@H](OC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C(=O)[O-] ZINC001595644097 981975174 /nfs/dbraw/zinc/97/51/74/981975174.db2.gz AYCMTSZOPBPEAW-AWEZNQCLSA-N -2 0 397.474 3.349 20 0 GGADRL CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001594830278 982011396 /nfs/dbraw/zinc/01/13/96/982011396.db2.gz VKLDUFAIKYXNNT-UHFFFAOYSA-N -2 0 381.372 3.035 20 0 GGADRL CC[C@](C)([N-]S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C)C(F)(F)F ZINC001594853730 982115751 /nfs/dbraw/zinc/11/57/51/982115751.db2.gz JHMBYKCSUHRICJ-JTQLQIEISA-N -2 0 379.809 3.417 20 0 GGADRL CCCCCC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001595695170 982217246 /nfs/dbraw/zinc/21/72/46/982217246.db2.gz PXAKXMPQGPZSTH-CQSZACIVSA-N -2 0 391.873 3.082 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001595747265 982413794 /nfs/dbraw/zinc/41/37/94/982413794.db2.gz DSTQOOSQVUMELI-UHFFFAOYSA-N -2 0 397.474 3.448 20 0 GGADRL COC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000917745690 982681681 /nfs/dbraw/zinc/68/16/81/982681681.db2.gz RXCXBYMTDOIWJV-UHFFFAOYSA-N -2 0 399.424 3.434 20 0 GGADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000918063279 982685998 /nfs/dbraw/zinc/68/59/98/982685998.db2.gz NZBJGIGXXKOCHP-UHFFFAOYSA-N -2 0 383.397 3.122 20 0 GGADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595891163 982923875 /nfs/dbraw/zinc/92/38/75/982923875.db2.gz NCNPGYAVIPUIQR-UHFFFAOYSA-N -2 0 385.445 3.076 20 0 GGADRL CC(C)Oc1c([N-]S(=O)(=O)c2c[nH]c(C(F)(F)F)c2)cccc1C(=O)[O-] ZINC001117647716 982936934 /nfs/dbraw/zinc/93/69/34/982936934.db2.gz RTGLYGQFLBOVBQ-UHFFFAOYSA-N -2 0 392.355 3.320 20 0 GGADRL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)nn(CCC(=O)[O-])c2C)cc1 ZINC001595014418 982952003 /nfs/dbraw/zinc/95/20/03/982952003.db2.gz RPPXVCBLCODESB-GFCCVEGCSA-N -2 0 379.482 3.289 20 0 GGADRL CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])n2)cc1C(C)C ZINC001595965502 983167404 /nfs/dbraw/zinc/16/74/04/983167404.db2.gz OZEHLTKMYLPYHO-UHFFFAOYSA-N -2 0 378.450 3.493 20 0 GGADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1OC ZINC001595966331 983172713 /nfs/dbraw/zinc/17/27/13/983172713.db2.gz HQFKOWWOVSFKMV-UHFFFAOYSA-N -2 0 383.397 3.122 20 0 GGADRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cnn1-c1ccc(F)cc1 ZINC001596049993 983348103 /nfs/dbraw/zinc/34/81/03/983348103.db2.gz CAZOBVVQZACPOC-UHFFFAOYSA-N -2 0 393.396 3.056 20 0 GGADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC001596089082 983410759 /nfs/dbraw/zinc/41/07/59/983410759.db2.gz BDTNXQYAVVVNRV-UHFFFAOYSA-N -2 0 376.406 3.181 20 0 GGADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(COC)cc(C(=O)[O-])c2)s1 ZINC001596089613 983413345 /nfs/dbraw/zinc/41/33/45/983413345.db2.gz JZJAWAZAOKPOBM-UHFFFAOYSA-N -2 0 384.479 3.049 20 0 GGADRL CCCn1ncc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1C1CC1 ZINC001596120491 983454491 /nfs/dbraw/zinc/45/44/91/983454491.db2.gz NIQZLDAACAIAMD-UHFFFAOYSA-N -2 0 383.857 3.323 20 0 GGADRL CCCn1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1C1CC1 ZINC001596120469 983454541 /nfs/dbraw/zinc/45/45/41/983454541.db2.gz MZPLGSWWVJESTO-UHFFFAOYSA-N -2 0 383.857 3.323 20 0 GGADRL C[C@H](OC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1)c1ccc(C(=O)[O-])cc1 ZINC001599904221 984902302 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383.447 3.041 20 0 GGADRL CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)c1 ZINC001596721680 984968468 /nfs/dbraw/zinc/96/84/68/984968468.db2.gz YBUVZPWTCMFWFM-UHFFFAOYSA-N -2 0 383.447 3.041 20 0 GGADRL CCOC(=O)c1ccsc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001596732136 985007719 /nfs/dbraw/zinc/00/77/19/985007719.db2.gz FCWMKOKLTKIKLI-UHFFFAOYSA-N -2 0 389.838 3.077 20 0 GGADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC001599948332 985567099 /nfs/dbraw/zinc/56/70/99/985567099.db2.gz MWVWDJJPMRBEKE-NSHDSACASA-N -2 0 399.415 3.454 20 0 GGADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC001599948331 985567178 /nfs/dbraw/zinc/56/71/78/985567178.db2.gz MWVWDJJPMRBEKE-LLVKDONJSA-N -2 0 399.415 3.454 20 0 GGADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1cccc(C(F)F)c1 ZINC001599948330 985567355 /nfs/dbraw/zinc/56/73/55/985567355.db2.gz MVWFAGFUTRCZCQ-NSHDSACASA-N -2 0 399.415 3.454 20 0 GGADRL 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395.437 3.339 20 0 GGADRL CCc1nc(C)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)s1 ZINC001597660725 988727348 /nfs/dbraw/zinc/72/73/48/988727348.db2.gz BDLCNQOQERJKAT-UHFFFAOYSA-N -2 0 378.834 3.305 20 0 GGADRL CCc1nc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)sc1C(=O)[O-] ZINC001597685189 988829882 /nfs/dbraw/zinc/82/98/82/988829882.db2.gz FPDGQQXTDMJDSC-UHFFFAOYSA-N -2 0 383.476 3.123 20 0 GGADRL CCc1nc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)sc1C(=O)[O-] ZINC001597685580 988837153 /nfs/dbraw/zinc/83/71/53/988837153.db2.gz RXWJIYNFSWJKNI-UHFFFAOYSA-N -2 0 378.834 3.138 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccnn2C)ccc1C ZINC001597785741 989306573 /nfs/dbraw/zinc/30/65/73/989306573.db2.gz RAQNULYJBQPZEK-UHFFFAOYSA-N -2 0 389.433 3.050 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC001597786195 989308915 /nfs/dbraw/zinc/30/89/15/989308915.db2.gz YYNVRNUFBASDLU-UHFFFAOYSA-N -2 0 381.303 3.499 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(OC)ccc1OC(C)C ZINC001597786189 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CC(C)(Sc1ccc(Br)cc1)C(=O)[N-]OCCCC(=O)[O-] ZINC001590907080 990871683 /nfs/dbraw/zinc/87/16/83/990871683.db2.gz KMURLUQJNJAUCY-UHFFFAOYSA-N -2 0 376.272 3.232 20 0 GGADRL CC(C)[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)c2C1 ZINC001590974607 991113805 /nfs/dbraw/zinc/11/38/05/991113805.db2.gz UOCSVWXIGXFVNB-LBPRGKRZSA-N -2 0 378.450 3.139 20 0 GGADRL COc1ccccc1C[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[O-])C(=O)[O-] ZINC001599708598 991332050 /nfs/dbraw/zinc/33/20/50/991332050.db2.gz BSENZECPXFHJFX-NSHDSACASA-N -2 0 398.242 3.381 20 0 GGADRL CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001591058076 991471571 /nfs/dbraw/zinc/47/15/71/991471571.db2.gz MJXYEQDHTXVYPI-IBGZPJMESA-N -2 0 389.473 3.161 20 0 GGADRL CC(C)C[C@@H](C(=O)[O-])[S@@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001591123101 991802697 /nfs/dbraw/zinc/80/26/97/991802697.db2.gz MBWVXTXVBSVVKS-SXBQZSJRSA-N -2 0 381.475 3.256 20 0 GGADRL CC(C)C[C@H](C(=O)[O-])[S@@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001591123100 991803007 /nfs/dbraw/zinc/80/30/07/991803007.db2.gz MBWVXTXVBSVVKS-PWECECGKSA-N -2 0 381.475 3.256 20 0 GGADRL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001591133195 991833172 /nfs/dbraw/zinc/83/31/72/991833172.db2.gz GVSCJPIEUPNQSH-JTQLQIEISA-N -2 0 395.399 3.281 20 0 GGADRL CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)OCc1ccccc1C(=O)[O-] ZINC001599759618 992101844 /nfs/dbraw/zinc/10/18/44/992101844.db2.gz CHVVAOXWCLELMF-UHFFFAOYSA-N -2 0 399.424 3.267 20 0 GGADRL CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)cc1 ZINC001591488961 992618025 /nfs/dbraw/zinc/61/80/25/992618025.db2.gz LMIKBMGCHLHHST-UHFFFAOYSA-N -2 0 393.505 3.115 20 0 GGADRL CC(C)Cc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001591489546 992620698 /nfs/dbraw/zinc/62/06/98/992620698.db2.gz VMOITFMHKUOXEO-AWEZNQCLSA-N -2 0 389.473 3.192 20 0 GGADRL CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC001598517109 992630251 /nfs/dbraw/zinc/63/02/51/992630251.db2.gz VQCVTIBLEPKVQY-UHFFFAOYSA-N -2 0 399.628 3.174 20 0 GGADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC001598537707 992860074 /nfs/dbraw/zinc/86/00/74/992860074.db2.gz KJRKASATRBCUFZ-UHFFFAOYSA-N -2 0 386.433 3.078 20 0 GGADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001598538032 992863421 /nfs/dbraw/zinc/86/34/21/992863421.db2.gz YLERBPABBIYVCI-UHFFFAOYSA-N -2 0 392.824 3.412 20 0 GGADRL CN(Cc1nc(=O)c2sccc2[n-]1)c1nc(C(F)(F)F)ccc1C(=O)[O-] ZINC001598538216 992866775 /nfs/dbraw/zinc/86/67/75/992866775.db2.gz IQTMNLNFYZRASN-UHFFFAOYSA-N -2 0 384.339 3.145 20 0 GGADRL COc1ccc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1OC(C)C ZINC001599598135 993776133 /nfs/dbraw/zinc/77/61/33/993776133.db2.gz LTRZYVJFGXGEQM-UHFFFAOYSA-N -2 0 383.397 3.121 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])c(C)n1 ZINC001599598322 993778736 /nfs/dbraw/zinc/77/87/36/993778736.db2.gz VKXAOBDIAJAKOF-UHFFFAOYSA-N -2 0 391.232 3.204 20 0 GGADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C(=O)[O-])ccc3ccccc32)c1 ZINC001599607328 993903771 /nfs/dbraw/zinc/90/37/71/993903771.db2.gz ZELVBIIXFGQIEW-UHFFFAOYSA-N -2 0 387.413 3.356 20 0 GGADRL C[C@@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])c1ncc(C(=O)[O-])s1 ZINC001593155893 993971306 /nfs/dbraw/zinc/97/13/06/993971306.db2.gz FTLUNWGEPZFMCK-SECBINFHSA-N -2 0 386.385 3.110 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C(C)C)s2)c(C)c1C ZINC001599617890 994041604 /nfs/dbraw/zinc/04/16/04/994041604.db2.gz KSNSLXITBBAUNQ-UHFFFAOYSA-N -2 0 384.479 3.391 20 0 GGADRL C[C@H](c1ccc(Cl)cc1Cl)S(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])co1 ZINC001593694295 996149869 /nfs/dbraw/zinc/14/98/69/996149869.db2.gz WBBBGBGZKHYPIE-SSDOTTSWSA-N -2 0 392.216 3.105 20 0 GGADRL CC1(C)CC(CC(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)C1 ZINC001593849506 996626078 /nfs/dbraw/zinc/62/60/78/996626078.db2.gz RZUVGYULPIZPLT-UHFFFAOYSA-N -2 0 393.383 3.035 20 0 GGADRL CC1(C)CCC(CC(=O)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001593877292 996699816 /nfs/dbraw/zinc/69/98/16/996699816.db2.gz XQUZJCRTTVYWRJ-UHFFFAOYSA-N -2 0 389.420 3.074 20 0 GGADRL COCc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)c1 ZINC001599281065 996897099 /nfs/dbraw/zinc/89/70/99/996897099.db2.gz PFXKDNIHSWHZFZ-UHFFFAOYSA-N -2 0 391.232 3.034 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc2c(cccc2C)s1 ZINC001599383926 996910125 /nfs/dbraw/zinc/91/01/25/996910125.db2.gz MUMSTYFJAXBKBD-UHFFFAOYSA-N -2 0 378.431 3.112 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-c2cnc(C)o2)cc1 ZINC001599384295 996916456 /nfs/dbraw/zinc/91/64/56/996916456.db2.gz YXNBXTCBZUCKMC-UHFFFAOYSA-N -2 0 388.401 3.158 20 0 GGADRL COC(=O)Nc1ccc(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)cc1C ZINC001598887751 996931253 /nfs/dbraw/zinc/93/12/53/996931253.db2.gz MUZIQBNEGVBKJD-UHFFFAOYSA-N -2 0 384.435 3.042 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC001599387323 996970102 /nfs/dbraw/zinc/97/01/02/996970102.db2.gz IMPWCPXXLCGAOW-UHFFFAOYSA-N -2 0 394.430 3.219 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(C(C)(C)C)c1O ZINC001599387841 996977257 /nfs/dbraw/zinc/97/72/57/996977257.db2.gz OYWUCBKMIKTYTM-UHFFFAOYSA-N -2 0 385.463 3.259 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C)n(C2CCCCC2)n1 ZINC001599388199 996983344 /nfs/dbraw/zinc/98/33/44/996983344.db2.gz WWTCALCZLPDOKK-UHFFFAOYSA-N -2 0 399.494 3.266 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(-c2ccccc2F)on1 ZINC001599388182 996983941 /nfs/dbraw/zinc/98/39/41/996983941.db2.gz VRBJODALFPABLJ-UHFFFAOYSA-N -2 0 398.393 3.050 20 0 GGADRL COCc1ccccc1S(=O)(=O)[N-]c1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001599296932 997160612 /nfs/dbraw/zinc/16/06/12/997160612.db2.gz YRAXEPACTAMHDK-UHFFFAOYSA-N -2 0 396.490 3.446 20 0 GGADRL COc1cc([C@H]2NC(=O)N(c3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])ccc1C ZINC001599398680 997175530 /nfs/dbraw/zinc/17/55/30/997175530.db2.gz PIGNDYGJUKHWKH-GOSISDBHSA-N -2 0 396.399 3.331 20 0 GGADRL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1c(C(=O)[O-])ccc2ccccc21 ZINC001598911339 997377057 /nfs/dbraw/zinc/37/70/57/997377057.db2.gz UCVLKOBTEXZAKB-UHFFFAOYSA-N -2 0 399.424 3.434 20 0 GGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC001599418366 997549750 /nfs/dbraw/zinc/54/97/50/997549750.db2.gz GGSKLYUEPGTDES-ZDUSSCGKSA-N -2 0 383.853 3.267 20 0 GGADRL COc1cc(F)c(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C(C)C)s2)c(F)c1 ZINC001599423752 997638091 /nfs/dbraw/zinc/63/80/91/997638091.db2.gz COMHCCJWNOULFN-UHFFFAOYSA-N -2 0 392.405 3.052 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC001599330227 997735283 /nfs/dbraw/zinc/73/52/83/997735283.db2.gz QMDNAWMHSBWPRL-UHFFFAOYSA-N -2 0 397.836 3.173 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(O)c(C)cc1C ZINC001599330422 997738947 /nfs/dbraw/zinc/73/89/47/997738947.db2.gz XMFUUDPMIAWPKX-UHFFFAOYSA-N -2 0 385.825 3.170 20 0 GGADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(OCCCC(=O)[O-])cc1 ZINC001599331272 997752719 /nfs/dbraw/zinc/75/27/19/997752719.db2.gz JSLJRHKOYBOICW-UHFFFAOYSA-N -2 0 393.461 3.356 20 0 GGADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1nc(C(=O)[O-])c(C(C)C)s1 ZINC001599331603 997758314 /nfs/dbraw/zinc/75/83/14/997758314.db2.gz MGCWSKOFPKZAJW-UHFFFAOYSA-N -2 0 384.479 3.391 20 0 GGADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1nc(C2CC2)c(C(=O)[O-])s1 ZINC001599331879 997761890 /nfs/dbraw/zinc/76/18/90/997761890.db2.gz VYBXSDMORRDXCQ-UHFFFAOYSA-N -2 0 382.463 3.145 20 0 GGADRL CO[C@H]1CCOc2c([N-]S(=O)(=O)c3c(C)csc3C(=O)[O-])cccc21 ZINC001599127135 997871857 /nfs/dbraw/zinc/87/18/57/997871857.db2.gz FTQUHOAPDIWKKA-LBPRGKRZSA-N -2 0 383.447 3.026 20 0 GGADRL COc1c([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cccc1C(=O)[O-] ZINC001599343779 997965634 /nfs/dbraw/zinc/96/56/34/997965634.db2.gz CMDWCTWHZBEMET-UHFFFAOYSA-N -2 0 377.418 3.033 20 0 GGADRL Cc1ccc(N2C(=O)N[C@H](c3ccc(C(=O)[O-])cc3)C(C(=O)[O-])=C2C)cc1F ZINC001594095461 998066981 /nfs/dbraw/zinc/06/69/81/998066981.db2.gz QEHNFZRFOPCUQZ-QGZVFWFLSA-N -2 0 384.363 3.462 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(F)cc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC001594098308 998079936 /nfs/dbraw/zinc/07/99/36/998079936.db2.gz RIAJOXJDRRTJKF-MRXNPFEDSA-N -2 0 382.363 3.035 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(C)C)ccc1C(=O)[O-] ZINC001599459048 998238271 /nfs/dbraw/zinc/23/82/71/998238271.db2.gz FIVIOYFUVZTAIG-UHFFFAOYSA-N -2 0 383.397 3.121 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2cc(C3CCCCCC3)[nH]n2)ccc1C(=O)[O-] ZINC001599459391 998244970 /nfs/dbraw/zinc/24/49/70/998244970.db2.gz KRKKAISJDQJPNN-UHFFFAOYSA-N -2 0 393.465 3.355 20 0 GGADRL COCCOCc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])c1 ZINC001599252380 998254477 /nfs/dbraw/zinc/25/44/77/998254477.db2.gz HIQGHWVVHHAMFS-UHFFFAOYSA-N -2 0 399.852 3.002 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2nc3ccc(C)cc3s2)ccc1C(=O)[O-] ZINC001599461163 998275669 /nfs/dbraw/zinc/27/56/69/998275669.db2.gz LFKNJRDAYALNMK-UHFFFAOYSA-N -2 0 378.431 3.112 20 0 GGADRL COc1cc2c(cc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1)oc1ccccc12 ZINC001599465271 998349479 /nfs/dbraw/zinc/34/94/79/998349479.db2.gz NUWYJXYCTCJPSZ-UHFFFAOYSA-N -2 0 398.396 3.489 20 0 GGADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1csc2ccccc12 ZINC001598967350 998446466 /nfs/dbraw/zinc/44/64/66/998446466.db2.gz BNHUAHOCERIOSG-UHFFFAOYSA-N -2 0 391.426 3.187 20 0 GGADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1 ZINC001598967846 998456132 /nfs/dbraw/zinc/45/61/32/998456132.db2.gz KTXQQZOTHSGCCC-UHFFFAOYSA-N -2 0 391.445 3.270 20 0 GGADRL COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc([C@@H](C)C(=O)[O-])cc3)n2)cc1 ZINC001599473295 998484816 /nfs/dbraw/zinc/48/48/16/998484816.db2.gz BBYKMEWEPUHNLS-GFCCVEGCSA-N -2 0 381.388 3.027 20 0 GGADRL COc1ccc(-n2cc([O-])c(C(=O)Nc3cccc([C@@H](C)C(=O)[O-])c3)n2)cc1 ZINC001599473722 998492355 /nfs/dbraw/zinc/49/23/55/998492355.db2.gz LCEKJVVZDDHUCX-GFCCVEGCSA-N -2 0 381.388 3.027 20 0 GGADRL COc1ccc(-n2cc([O-])c(C(=O)Nc3cc4[nH]ccc4c(C(=O)[O-])c3)n2)cc1 ZINC001599473907 998495933 /nfs/dbraw/zinc/49/59/33/998495933.db2.gz RRCPWOOLBOBXCE-UHFFFAOYSA-N -2 0 392.371 3.018 20 0 GGADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC001599377773 998516650 /nfs/dbraw/zinc/51/66/50/998516650.db2.gz NRAGQKCQWYACCR-UHFFFAOYSA-N -2 0 379.434 3.290 20 0 GGADRL COCOc1ccc(CCC(=O)[O-])cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC001599275451 998602897 /nfs/dbraw/zinc/60/28/97/998602897.db2.gz IVLQYIPJXVJDSS-UHFFFAOYSA-N -2 0 379.796 3.298 20 0 GGADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1OC ZINC000012927381 210031627 /nfs/dbraw/zinc/03/16/27/210031627.db2.gz NEHDKGOPPWIYKY-FPYGCLRLSA-N -2 0 397.836 3.256 20 0 GGADRL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC000097591221 211366695 /nfs/dbraw/zinc/36/66/95/211366695.db2.gz PEQVIYRIBIAIFI-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000089570275 211182091 /nfs/dbraw/zinc/18/20/91/211182091.db2.gz WLVTYVXNULRQIB-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000084017072 211166167 /nfs/dbraw/zinc/16/61/67/211166167.db2.gz YJGPMGUBSLYZTF-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)cs1 ZINC000115869736 564200396 /nfs/dbraw/zinc/20/03/96/564200396.db2.gz MHSMYIYOUAKRHE-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000012605294 564269516 /nfs/dbraw/zinc/26/95/16/564269516.db2.gz OGRKVCZBTRKWBC-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000014097351 564279394 /nfs/dbraw/zinc/27/93/94/564279394.db2.gz OJNNRQURBGJJTP-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000122146902 564401912 /nfs/dbraw/zinc/40/19/12/564401912.db2.gz CYVCDQVBTDPXGL-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c(Br)s1 ZINC000032589277 564402301 /nfs/dbraw/zinc/40/23/01/564402301.db2.gz XAWXKLUWDZRDNE-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)c1 ZINC000032585487 564402467 /nfs/dbraw/zinc/40/24/67/564402467.db2.gz YDQSTXKVJUNGNS-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000042005007 564440279 /nfs/dbraw/zinc/44/02/79/564440279.db2.gz DDHILRIXADWZTC-UHFFFAOYSA-N -2 0 382.419 3.124 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(Br)s2)ccc1C(=O)[O-] ZINC000044750136 564472730 /nfs/dbraw/zinc/47/27/30/564472730.db2.gz GJSMGGFJEMMCFM-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000045946760 564491110 /nfs/dbraw/zinc/49/11/10/564491110.db2.gz FMBBEEWUNTYXOX-UHFFFAOYSA-N -2 0 395.380 3.497 20 0 GGADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C)s2)cc1OC(F)F ZINC000047250968 564516246 /nfs/dbraw/zinc/51/62/46/564516246.db2.gz LOCQFEJYJSPYND-UHFFFAOYSA-N -2 0 393.389 3.166 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)c1 ZINC000048382647 564538621 /nfs/dbraw/zinc/53/86/21/564538621.db2.gz VVONTDPXQPNBMA-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1sccc1Br ZINC000048440763 564539040 /nfs/dbraw/zinc/53/90/40/564539040.db2.gz WIVFILXSVOLUEW-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)cc(C(F)(F)F)c1 ZINC000052471767 564572594 /nfs/dbraw/zinc/57/25/94/564572594.db2.gz WFMROKDGGFOWQE-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055577619 564624316 /nfs/dbraw/zinc/62/43/16/564624316.db2.gz ZABSCMDHTZDTDQ-UHFFFAOYSA-N -2 0 382.419 3.124 20 0 GGADRL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000055638612 564627586 /nfs/dbraw/zinc/62/75/86/564627586.db2.gz SHMJKUBNHCSBCM-UHFFFAOYSA-N -2 0 382.463 3.294 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)cc1 ZINC000130399302 564679848 /nfs/dbraw/zinc/67/98/48/564679848.db2.gz PZNGKWIYRQPRSB-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000060839400 564702175 /nfs/dbraw/zinc/70/21/75/564702175.db2.gz NYEJQDYMTUIKCA-UHFFFAOYSA-N -2 0 383.447 3.157 20 0 GGADRL Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000065080094 564738693 /nfs/dbraw/zinc/73/86/93/564738693.db2.gz QBCGFIFHLYGSSV-UHFFFAOYSA-N -2 0 398.531 3.109 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC000067874392 564800567 /nfs/dbraw/zinc/80/05/67/564800567.db2.gz AZFBCDIBGGDGAG-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)c1 ZINC000084339085 564868746 /nfs/dbraw/zinc/86/87/46/564868746.db2.gz MKXUPLBDEJNWJF-UHFFFAOYSA-N -2 0 383.838 3.086 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1Cl ZINC000146187479 564880926 /nfs/dbraw/zinc/88/09/26/564880926.db2.gz FPVNYIKABQAHNF-UHFFFAOYSA-N -2 0 391.188 3.401 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1Br ZINC000147473803 564883043 /nfs/dbraw/zinc/88/30/43/564883043.db2.gz KSOUWRJNJUGNLE-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)sc1Br ZINC000148730027 564884996 /nfs/dbraw/zinc/88/49/96/564884996.db2.gz ZHBKLAKNILFDTL-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Br ZINC000096487744 564902181 /nfs/dbraw/zinc/90/21/81/564902181.db2.gz FCQAVEKHYBHWPT-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000152679803 564967869 /nfs/dbraw/zinc/96/78/69/564967869.db2.gz JTEPFQUOVGYZCX-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)cc2C)c(C(=O)[O-])c1 ZINC000110698786 565044166 /nfs/dbraw/zinc/04/41/66/565044166.db2.gz CLKGVCZWBXYTLU-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1C(=O)[O-] ZINC000110988531 565049100 /nfs/dbraw/zinc/04/91/00/565049100.db2.gz VVXUGAGZYGHZOU-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL CCn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1C1CC1 ZINC000267430607 565116447 /nfs/dbraw/zinc/11/64/47/565116447.db2.gz MOWMVUCWFTUCAG-UHFFFAOYSA-N -2 0 387.820 3.072 20 0 GGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1)C(=O)[O-] ZINC000184655947 565150111 /nfs/dbraw/zinc/15/01/11/565150111.db2.gz VQEZQPPGCKXTIO-NSHDSACASA-N -2 0 378.837 3.276 20 0 GGADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1 ZINC000185568990 565208595 /nfs/dbraw/zinc/20/85/95/565208595.db2.gz NXYYIAKVAIUBMS-UHFFFAOYSA-N -2 0 384.251 3.185 20 0 GGADRL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000275227374 565397723 /nfs/dbraw/zinc/39/77/23/565397723.db2.gz JBUXHZVXEDQMBL-SSDOTTSWSA-N -2 0 399.696 3.043 20 0 GGADRL Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000190384968 565527567 /nfs/dbraw/zinc/52/75/67/565527567.db2.gz ILCLRHLRGWLDAT-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000190383993 565527893 /nfs/dbraw/zinc/52/78/93/565527893.db2.gz MGXWYVUVBUVEIE-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1cscc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000387088462 565549022 /nfs/dbraw/zinc/54/90/22/565549022.db2.gz GLMWCZWBCCKIEC-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccn2)c1 ZINC000190840152 565562906 /nfs/dbraw/zinc/56/29/06/565562906.db2.gz JMJPLTAAWBHHIN-UHFFFAOYSA-N -2 0 383.838 3.086 20 0 GGADRL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)ccc1[O-] ZINC000392822361 565566596 /nfs/dbraw/zinc/56/65/96/565566596.db2.gz IIIVFOQZNBVYKK-UHFFFAOYSA-N -2 0 379.781 3.303 20 0 GGADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cc1 ZINC000393072385 565568682 /nfs/dbraw/zinc/56/86/82/565568682.db2.gz ZUVQLXWBLMPGKT-UHFFFAOYSA-N -2 0 383.809 3.016 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(Br)cc1C ZINC000314975269 565588644 /nfs/dbraw/zinc/58/86/44/565588644.db2.gz GCZOGSNGKGGIKJ-UHFFFAOYSA-N -2 0 388.239 3.466 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2cc(Br)ccc2C)cc1C(=O)[O-] ZINC000315409425 565590568 /nfs/dbraw/zinc/59/05/68/565590568.db2.gz HGLJLYVTHSDYGC-UHFFFAOYSA-N -2 0 387.255 3.078 20 0 GGADRL CCc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000316756355 565593262 /nfs/dbraw/zinc/59/32/62/565593262.db2.gz BXMXKWADINAMMT-UHFFFAOYSA-N -2 0 388.239 3.412 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c(F)c1 ZINC000317538780 565594122 /nfs/dbraw/zinc/59/41/22/565594122.db2.gz WBJGVCJCGMVACX-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000318115694 565595842 /nfs/dbraw/zinc/59/58/42/565595842.db2.gz PACCVZQIXBIPEK-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(Br)c(C)c1 ZINC000318531367 565596848 /nfs/dbraw/zinc/59/68/48/565596848.db2.gz JEUIMWUKSDBRHH-UHFFFAOYSA-N -2 0 388.239 3.466 20 0 GGADRL CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2Br)cc1 ZINC000322890260 565611935 /nfs/dbraw/zinc/61/19/35/565611935.db2.gz MSNDFSCTWJFRSJ-UHFFFAOYSA-N -2 0 398.234 3.151 20 0 GGADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000324897602 565620472 /nfs/dbraw/zinc/62/04/72/565620472.db2.gz NNNYGSSDLDFNNR-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)cc1C(=O)[O-] ZINC000326600773 565625120 /nfs/dbraw/zinc/62/51/20/565625120.db2.gz IOOZZCKKJSDYTJ-UHFFFAOYSA-N -2 0 379.825 3.209 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000327096366 565627944 /nfs/dbraw/zinc/62/79/44/565627944.db2.gz KNQIYIIUGQTUOZ-UHFFFAOYSA-N -2 0 390.200 3.191 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCC(F)(F)F ZINC000327378382 565629571 /nfs/dbraw/zinc/62/95/71/565629571.db2.gz BDWOKUQBYULUSW-UHFFFAOYSA-N -2 0 379.312 3.028 20 0 GGADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000327509684 565630873 /nfs/dbraw/zinc/63/08/73/565630873.db2.gz OXGVBBVJZGSKCA-UHFFFAOYSA-N -2 0 375.324 3.213 20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000410375945 565681082 /nfs/dbraw/zinc/68/10/82/565681082.db2.gz QOWFSKPZEVJMCA-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL CCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C(F)(F)F ZINC000410407288 565684151 /nfs/dbraw/zinc/68/41/51/565684151.db2.gz XNQDXZNNYZCDCS-UHFFFAOYSA-N -2 0 397.762 3.074 20 0 GGADRL O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(Cl)cc(Br)c1[O-] ZINC000176472174 565775378 /nfs/dbraw/zinc/77/53/78/565775378.db2.gz MIJXYWHZXSDISL-SECBINFHSA-N -2 0 384.679 3.119 20 0 GGADRL Cc1cc(S(=O)(=O)NCC[C@H](CC(=O)[O-])C(F)(F)F)sc1Cl ZINC000285317098 565900195 /nfs/dbraw/zinc/90/01/95/565900195.db2.gz ZNGAMZSIXXYYNN-SSDOTTSWSA-N -2 0 379.809 3.032 20 0 GGADRL O=C([O-])C1CCC(NS(=O)(=O)c2ccc(Cl)c(Br)c2)CC1 ZINC000236427388 565938724 /nfs/dbraw/zinc/93/87/24/565938724.db2.gz COJMQEULAAKMTF-UHFFFAOYSA-N -2 0 396.690 3.024 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccn2)cs1 ZINC000241774119 565983987 /nfs/dbraw/zinc/98/39/87/565983987.db2.gz RNFIRWKSKJNKPD-UHFFFAOYSA-N -2 0 383.838 3.086 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(Br)c(F)c1 ZINC000180657276 566079277 /nfs/dbraw/zinc/07/92/77/566079277.db2.gz BQWDSYIZUVQIFE-UHFFFAOYSA-N -2 0 396.165 3.128 20 0 GGADRL Cc1nc(-c2ccc(S(=O)(=O)NC3CCC(C(=O)[O-])CC3)s2)cs1 ZINC000262352182 566150623 /nfs/dbraw/zinc/15/06/23/566150623.db2.gz BFSSIPQRXCLEGS-UHFFFAOYSA-N -2 0 386.520 3.102 20 0 GGADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000181684256 566158696 /nfs/dbraw/zinc/15/86/96/566158696.db2.gz LRIRZTIIJZRUGN-UHFFFAOYSA-N -2 0 385.873 3.308 20 0 GGADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000535136724 566279590 /nfs/dbraw/zinc/27/95/90/566279590.db2.gz DKWZCJPHIACAAA-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000509392191 566297723 /nfs/dbraw/zinc/29/77/23/566297723.db2.gz OAKHTALMPVWJGJ-UHFFFAOYSA-N -2 0 378.303 3.047 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)c1 ZINC000483167178 566362940 /nfs/dbraw/zinc/36/29/40/566362940.db2.gz NRVOLYBUHHGEHW-UHFFFAOYSA-N -2 0 376.415 3.434 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Oc3ccncc3)c2)cs1 ZINC000483201187 566364681 /nfs/dbraw/zinc/36/46/81/566364681.db2.gz TYONXGFMHSFGFE-UHFFFAOYSA-N -2 0 376.415 3.434 20 0 GGADRL CCn1nc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cc1C1CC1 ZINC000536523319 566381620 /nfs/dbraw/zinc/38/16/20/566381620.db2.gz GNQPSCWUEWPDON-UHFFFAOYSA-N -2 0 383.857 3.241 20 0 GGADRL CO[C@H]1CCOc2c([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cccc21 ZINC000447777197 566427734 /nfs/dbraw/zinc/42/77/34/566427734.db2.gz FEFJGJXNDFAVFO-LBPRGKRZSA-N -2 0 383.447 3.026 20 0 GGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1OC ZINC000447779626 566428064 /nfs/dbraw/zinc/42/80/64/566428064.db2.gz NNIORYWYDOVPDG-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1OC ZINC000447780877 566429039 /nfs/dbraw/zinc/42/90/39/566429039.db2.gz AKPGZDSABHQMRC-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c1O ZINC000447784821 566429546 /nfs/dbraw/zinc/42/95/46/566429546.db2.gz BQBNLWLINSSBHW-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447783476 566429757 /nfs/dbraw/zinc/42/97/57/566429757.db2.gz QTUFZLJUMCXQKF-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)c(C(=O)[O-])c1 ZINC000484482474 566430733 /nfs/dbraw/zinc/43/07/33/566430733.db2.gz JBEPZKDIFIBQFV-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1C(F)(F)F ZINC000447792976 566431836 /nfs/dbraw/zinc/43/18/36/566431836.db2.gz BUUNTOXQLJKWDB-UHFFFAOYSA-N -2 0 381.353 3.275 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)c(SCCC(=O)[O-])c1 ZINC000484503793 566432716 /nfs/dbraw/zinc/43/27/16/566432716.db2.gz MXBLKEYWRCIITD-UHFFFAOYSA-N -2 0 386.882 3.411 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c(SCCC(=O)[O-])c1 ZINC000484506916 566432801 /nfs/dbraw/zinc/43/28/01/566432801.db2.gz SKLOJBXFANGXPB-UHFFFAOYSA-N -2 0 383.495 3.140 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1OC(C)C ZINC000463791394 566434584 /nfs/dbraw/zinc/43/45/84/566434584.db2.gz YDAQLSOZTCMHGK-UHFFFAOYSA-N -2 0 385.463 3.351 20 0 GGADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000484568890 566437888 /nfs/dbraw/zinc/43/78/88/566437888.db2.gz AXBOWSKRHFYRNX-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000484590812 566439161 /nfs/dbraw/zinc/43/91/61/566439161.db2.gz OURWUJIVJUNUHL-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)sc1C(=O)[O-] ZINC000511277877 566451118 /nfs/dbraw/zinc/45/11/18/566451118.db2.gz CARDZVBLMMFNFO-UHFFFAOYSA-N -3 0 383.447 3.377 20 0 GGADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC000484787405 566454840 /nfs/dbraw/zinc/45/48/40/566454840.db2.gz IODVRPFSHKZPAA-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000511333343 566455786 /nfs/dbraw/zinc/45/57/86/566455786.db2.gz LHMXPOWBSAKXEO-UHFFFAOYSA-N -2 0 392.216 3.212 20 0 GGADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000484929257 566465115 /nfs/dbraw/zinc/46/51/15/566465115.db2.gz XBQLESVBGXLICQ-UHFFFAOYSA-N -2 0 375.324 3.213 20 0 GGADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000484989429 566468285 /nfs/dbraw/zinc/46/82/85/566468285.db2.gz VLSCBIAMODAORY-UHFFFAOYSA-N -2 0 383.853 3.475 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)cs1 ZINC000485102607 566475462 /nfs/dbraw/zinc/47/54/62/566475462.db2.gz RNUHIXFLRYUGHM-UHFFFAOYSA-N -2 0 393.471 3.188 20 0 GGADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000511741135 566485176 /nfs/dbraw/zinc/48/51/76/566485176.db2.gz WDMPFKBGRDHZEN-UHFFFAOYSA-N -2 0 381.837 3.336 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c(Cl)cc1C(=O)[O-] ZINC000485259614 566486528 /nfs/dbraw/zinc/48/65/28/566486528.db2.gz BKCBJLSEWMZTEP-UHFFFAOYSA-N -2 0 398.849 3.457 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)cc1 ZINC000485346744 566490971 /nfs/dbraw/zinc/49/09/71/566490971.db2.gz FASFUAWWUKGISZ-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC000485359076 566491179 /nfs/dbraw/zinc/49/11/79/566491179.db2.gz YUQDZBOQFDQYJG-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nn1-c1ccc(C)cc1 ZINC000538298336 566505141 /nfs/dbraw/zinc/50/51/41/566505141.db2.gz HAGRTICDHVMSLA-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OCC(F)F)c1 ZINC000673491121 566539117 /nfs/dbraw/zinc/53/91/17/566539117.db2.gz MLPSLMKJGVEINO-UHFFFAOYSA-N -2 0 391.779 3.483 20 0 GGADRL O=C([O-])COc1ccc(/C=C\c2nc(C(=O)[O-])c(Br)s2)cc1 ZINC000486010084 566548436 /nfs/dbraw/zinc/54/84/36/566548436.db2.gz VMSHTENWAYFSBK-UTCJRWHESA-N -2 0 384.207 3.238 20 0 GGADRL Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(C)c1C(=O)[O-] ZINC000512739206 566554400 /nfs/dbraw/zinc/55/44/00/566554400.db2.gz RSTUECCYDMRWNI-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(C)c1C(=O)[O-] ZINC000512757756 566555425 /nfs/dbraw/zinc/55/54/25/566555425.db2.gz QDAOBJMBHNNYGM-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL Cc1ccsc1S(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1 ZINC000512776908 566556089 /nfs/dbraw/zinc/55/60/89/566556089.db2.gz WCNPIHWCYUQAHK-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486093441 566557339 /nfs/dbraw/zinc/55/73/39/566557339.db2.gz KJBDKHZHYMXHSN-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)s1 ZINC000486124887 566560555 /nfs/dbraw/zinc/56/05/55/566560555.db2.gz FYALQSDNHWPYAW-UHFFFAOYSA-N -2 0 384.479 3.302 20 0 GGADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)OCO2 ZINC000673900080 566566043 /nfs/dbraw/zinc/56/60/43/566566043.db2.gz CPBZUIAYTVHMRB-UHFFFAOYSA-N -2 0 390.200 3.221 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(SC)ccc1C ZINC000539398087 566578763 /nfs/dbraw/zinc/57/87/63/566578763.db2.gz GZBQUAMUPLHSDT-UHFFFAOYSA-N -2 0 381.475 3.153 20 0 GGADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000539398801 566579057 /nfs/dbraw/zinc/57/90/57/566579057.db2.gz CTVPZZWGOVFRAW-UHFFFAOYSA-N -2 0 383.853 3.475 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c(Cl)c1 ZINC000579293796 566596467 /nfs/dbraw/zinc/59/64/67/566596467.db2.gz WIIAVEKIGUGQJW-UHFFFAOYSA-N -3 0 390.200 3.191 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nn(C(C)C)cc2c1 ZINC000605612928 566615782 /nfs/dbraw/zinc/61/57/82/566615782.db2.gz OVDHTWJPIFQFHI-UHFFFAOYSA-N -2 0 379.463 3.486 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c(Cl)cc1C(=O)[O-] ZINC000513819075 566627181 /nfs/dbraw/zinc/62/71/81/566627181.db2.gz PMHQNUIJNBRIPV-UHFFFAOYSA-N -2 0 392.216 3.207 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)c1 ZINC000540215796 566637851 /nfs/dbraw/zinc/63/78/51/566637851.db2.gz SPXKEDJOIDDPLW-UHFFFAOYSA-N -2 0 381.353 3.030 20 0 GGADRL O=C([O-])CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Br)s1 ZINC000579922216 566650664 /nfs/dbraw/zinc/65/06/64/566650664.db2.gz CLTJVIRJLFYYIX-ZJUUUORDSA-N -2 0 396.328 3.213 20 0 GGADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)s1 ZINC000467750343 566660917 /nfs/dbraw/zinc/66/09/17/566660917.db2.gz XVGLBPNIHLLTMF-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])c1 ZINC000487299923 566661396 /nfs/dbraw/zinc/66/13/96/566661396.db2.gz PTRKYTPNMWDEEN-UHFFFAOYSA-N -2 0 380.809 3.329 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c(Cl)c1Cl ZINC000467759715 566662554 /nfs/dbraw/zinc/66/25/54/566662554.db2.gz OXKFFNKJWWGMHQ-UHFFFAOYSA-N -2 0 392.216 3.207 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(cnn2C(F)F)c1 ZINC000676559226 566700355 /nfs/dbraw/zinc/70/03/55/566700355.db2.gz BWZYNQPRDHLFJY-UHFFFAOYSA-N -2 0 387.389 3.300 20 0 GGADRL CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1F ZINC000541303456 566713915 /nfs/dbraw/zinc/71/39/15/566713915.db2.gz UPXKFUZOGACCSJ-UHFFFAOYSA-N -2 0 377.390 3.313 20 0 GGADRL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000677234927 566732684 /nfs/dbraw/zinc/73/26/84/566732684.db2.gz UHICAHYWDJBIFE-UHFFFAOYSA-N -2 0 378.328 3.063 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000427132041 566749886 /nfs/dbraw/zinc/74/98/86/566749886.db2.gz YFPOZZRTYFAUGH-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)cc1C(=O)[O-] ZINC000541806952 566750726 /nfs/dbraw/zinc/75/07/26/566750726.db2.gz ZMKQNIXVFWRKDG-UHFFFAOYSA-N -2 0 379.221 3.019 20 0 GGADRL CC(=O)c1ccsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000427301798 566763731 /nfs/dbraw/zinc/76/37/31/566763731.db2.gz LKAHILCJSBDPPJ-UHFFFAOYSA-N -2 0 379.459 3.329 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1F ZINC000427309008 566765398 /nfs/dbraw/zinc/76/53/98/566765398.db2.gz RABXJUHHEPCHAY-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)s1 ZINC000427317730 566765676 /nfs/dbraw/zinc/76/56/76/566765676.db2.gz XWIKNSWSNBSXLQ-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c(Br)c1 ZINC000581583005 566790058 /nfs/dbraw/zinc/79/00/58/566790058.db2.gz VKWIZUKICOQBPO-UHFFFAOYSA-N -2 0 395.234 3.429 20 0 GGADRL CCCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C1CC1 ZINC000562541064 566799561 /nfs/dbraw/zinc/79/95/61/566799561.db2.gz FYUKWCBWTPEKAP-UHFFFAOYSA-N -2 0 383.857 3.323 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCCO3)sc1C ZINC000678612366 566807499 /nfs/dbraw/zinc/80/74/99/566807499.db2.gz JQXFRPSAOYMJKK-UHFFFAOYSA-N -2 0 383.447 3.025 20 0 GGADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])s1 ZINC000542740265 566822699 /nfs/dbraw/zinc/82/26/99/566822699.db2.gz SEQIYBGUUKLZDY-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c(C)c1CC(=O)[O-] ZINC000542934426 566839005 /nfs/dbraw/zinc/83/90/05/566839005.db2.gz LYIBWBBXTMQRRL-UHFFFAOYSA-N -2 0 383.853 3.399 20 0 GGADRL Cn1ccnc1Sc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000517925054 566855047 /nfs/dbraw/zinc/85/50/47/566855047.db2.gz OUHMHPPCSXVIHJ-UHFFFAOYSA-N -2 0 395.487 3.132 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C ZINC000517924798 566855118 /nfs/dbraw/zinc/85/51/18/566855118.db2.gz LECKJTNLEBOAFR-UHFFFAOYSA-N -3 0 383.447 3.377 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(SC)c(F)c1 ZINC000543164788 566858797 /nfs/dbraw/zinc/85/87/97/566858797.db2.gz WIMCOFZYAIMEFM-UHFFFAOYSA-N -2 0 389.401 3.194 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)sc1C(=O)[O-] ZINC000543166028 566858832 /nfs/dbraw/zinc/85/88/32/566858832.db2.gz NAPGAAPSDWAZPP-SECBINFHSA-N -3 0 383.447 3.134 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)sc1C(=O)[O-] ZINC000543166033 566858964 /nfs/dbraw/zinc/85/89/64/566858964.db2.gz NAPGAAPSDWAZPP-VIFPVBQESA-N -3 0 383.447 3.134 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c(F)c1 ZINC000470438673 566871639 /nfs/dbraw/zinc/87/16/39/566871639.db2.gz PPRYHMVPIMXELA-UHFFFAOYSA-N -2 0 379.287 3.065 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)cc1C(=O)[O-] ZINC000470437897 566871966 /nfs/dbraw/zinc/87/19/66/566871966.db2.gz JFYKFWCGJKYRQB-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL Cc1ccc([C@H]([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C(F)(F)F)o1 ZINC000656182040 566880866 /nfs/dbraw/zinc/88/08/66/566880866.db2.gz ZMWWMKVOWMFQES-ZDUSSCGKSA-N -2 0 377.340 3.009 20 0 GGADRL Cc1ccc([C@@H]([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])C(F)(F)F)o1 ZINC000656181164 566881644 /nfs/dbraw/zinc/88/16/44/566881644.db2.gz QDHMKAHPQFXBBY-LLVKDONJSA-N -2 0 383.369 3.238 20 0 GGADRL CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000543659873 566899068 /nfs/dbraw/zinc/89/90/68/566899068.db2.gz XDLQPVHLPHWDIM-UHFFFAOYSA-N -2 0 383.809 3.100 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000519217397 566927020 /nfs/dbraw/zinc/92/70/20/566927020.db2.gz FGJKWDSJBBJLPY-UHFFFAOYSA-N -2 0 388.373 3.029 20 0 GGADRL Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])c(C)c1C(=O)[O-] ZINC000544640898 566976616 /nfs/dbraw/zinc/97/66/16/566976616.db2.gz MPFWPEBUBXOPSU-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)c(SCCC(=O)[O-])c1 ZINC000681557656 566984854 /nfs/dbraw/zinc/98/48/54/566984854.db2.gz CNLVRRSACVZJIK-UHFFFAOYSA-N -2 0 383.495 3.209 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1SC ZINC000471958659 566990481 /nfs/dbraw/zinc/99/04/81/566990481.db2.gz YVZPJDWJAYKAJX-UHFFFAOYSA-N -2 0 381.475 3.153 20 0 GGADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(F)cc(Cl)c3O)c1)CCC2 ZINC000471990656 566992307 /nfs/dbraw/zinc/99/23/07/566992307.db2.gz FNTDJIYTOAKDSK-UHFFFAOYSA-N -2 0 385.800 3.172 20 0 GGADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000471993722 566994046 /nfs/dbraw/zinc/99/40/46/566994046.db2.gz WOXDHNQJZGFSLG-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1O ZINC000564720482 567002687 /nfs/dbraw/zinc/00/26/87/567002687.db2.gz SASIUOVTDPUSJT-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000565056115 567034267 /nfs/dbraw/zinc/03/42/67/567034267.db2.gz MOCSLNANFIPVRN-SKDRFNHKSA-N -2 0 381.828 3.320 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C1CC1 ZINC000584402778 567040385 /nfs/dbraw/zinc/04/03/85/567040385.db2.gz TYKPHIHVVQYHST-UHFFFAOYSA-N -2 0 383.495 3.285 20 0 GGADRL CC[C@@H](C)c1cc(=O)n(-c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)[n-]1 ZINC000634617186 567040833 /nfs/dbraw/zinc/04/08/33/567040833.db2.gz IOJLRRVQWQDMAQ-LLVKDONJSA-N -2 0 378.479 3.083 20 0 GGADRL CO[C@@H](C)c1nc(=NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)s[n-]1 ZINC000565776840 567097553 /nfs/dbraw/zinc/09/75/53/567097553.db2.gz LTMFLEUUUCHDQY-VIFPVBQESA-N -2 0 376.463 3.101 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000588635469 567129705 /nfs/dbraw/zinc/12/97/05/567129705.db2.gz ZQLWIJAXNMHUTE-UHFFFAOYSA-N -2 0 384.460 3.174 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)c1 ZINC000588621992 567130174 /nfs/dbraw/zinc/13/01/74/567130174.db2.gz CPQMNHQDVOCLRX-UHFFFAOYSA-N -2 0 396.471 3.283 20 0 GGADRL O=C([O-])C1CCC(NC(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC000566223604 567139312 /nfs/dbraw/zinc/13/93/12/567139312.db2.gz GUARPTYJKWHDNT-UHFFFAOYSA-N -2 0 376.634 3.181 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c2ncccc12 ZINC000546729266 567151288 /nfs/dbraw/zinc/15/12/88/567151288.db2.gz TZXRZQTUZRIOQT-UHFFFAOYSA-N -2 0 378.431 3.112 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c(Cl)cc1C(=O)[O-] ZINC000432657122 567179107 /nfs/dbraw/zinc/17/91/07/567179107.db2.gz VJMRMWWRMNTOPS-UHFFFAOYSA-N -2 0 380.809 3.329 20 0 GGADRL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC)cc1Cl ZINC000432727502 567183922 /nfs/dbraw/zinc/18/39/22/567183922.db2.gz JMTCJNUGAPYVQR-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL CC(C)(C)C[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547581925 567225533 /nfs/dbraw/zinc/22/55/33/567225533.db2.gz GCARGMLZVRFDLP-JTQLQIEISA-N -2 0 385.379 3.402 20 0 GGADRL O=C([O-])[C@@H](Cc1cccc(Cl)c1)NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547585134 567226303 /nfs/dbraw/zinc/22/63/03/567226303.db2.gz BVCIBDNGGUQJSD-CQSZACIVSA-N -2 0 392.235 3.107 20 0 GGADRL CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547581926 567226335 /nfs/dbraw/zinc/22/63/35/567226335.db2.gz GCARGMLZVRFDLP-SNVBAGLBSA-N -2 0 385.379 3.402 20 0 GGADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c1 ZINC000547822571 567249084 /nfs/dbraw/zinc/24/90/84/567249084.db2.gz MHJHLLIPQJONKA-UHFFFAOYSA-N -2 0 395.234 3.429 20 0 GGADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000547873771 567253414 /nfs/dbraw/zinc/25/34/14/567253414.db2.gz XTVIOFSOIKYOHP-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433518262 567257132 /nfs/dbraw/zinc/25/71/32/567257132.db2.gz TZDJJSXMLFGFSW-UHFFFAOYSA-N -2 0 385.825 3.332 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)ccc1C(F)(F)F ZINC000433526872 567257531 /nfs/dbraw/zinc/25/75/31/567257531.db2.gz CNRBEKYXCAJRRB-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL CCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000475829068 567279747 /nfs/dbraw/zinc/27/97/47/567279747.db2.gz KFDBQVITHOSBHM-UHFFFAOYSA-N -2 0 383.809 3.137 20 0 GGADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(CC(C)C)nc1 ZINC000475839104 567282053 /nfs/dbraw/zinc/28/20/53/567282053.db2.gz YMBOCJFFDGAKCZ-UHFFFAOYSA-N -2 0 383.857 3.136 20 0 GGADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnc(CC(C)C)nc1 ZINC000475839933 567282169 /nfs/dbraw/zinc/28/21/69/567282169.db2.gz SMSCFEAPZXTZOR-UHFFFAOYSA-N -2 0 383.857 3.136 20 0 GGADRL O=C([O-])C1CCC(NC(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000567862466 567284603 /nfs/dbraw/zinc/28/46/03/567284603.db2.gz DMHPIBKLHLWCDR-UHFFFAOYSA-N -2 0 376.634 3.181 20 0 GGADRL Cc1cc([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)ccc1-n1cccc1C(=O)[O-] ZINC000548198893 567288812 /nfs/dbraw/zinc/28/88/12/567288812.db2.gz FNIXADAJVGUVKE-JTQLQIEISA-N -2 0 376.356 3.176 20 0 GGADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1Br ZINC000548200294 567288907 /nfs/dbraw/zinc/28/89/07/567288907.db2.gz AMWWCKFHBBCVJY-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000548267594 567302133 /nfs/dbraw/zinc/30/21/33/567302133.db2.gz MZKPYZHMERXNQU-QUBYGPBYSA-N -2 0 394.198 3.379 20 0 GGADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000548267595 567302999 /nfs/dbraw/zinc/30/29/99/567302999.db2.gz MZKPYZHMERXNQU-WKEGUHRASA-N -2 0 394.198 3.379 20 0 GGADRL Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000685902590 567308783 /nfs/dbraw/zinc/30/87/83/567308783.db2.gz PEIBGOZLTAACGN-UHFFFAOYSA-N -2 0 378.303 3.047 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c(Br)c1 ZINC000476249976 567309553 /nfs/dbraw/zinc/30/95/53/567309553.db2.gz BDHKJCJBZRPDLR-UHFFFAOYSA-N -2 0 395.234 3.429 20 0 GGADRL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1ccsc1 ZINC000476394703 567320117 /nfs/dbraw/zinc/32/01/17/567320117.db2.gz DAXNSGLRZPHLLX-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(Br)cc1C(=O)[O-] ZINC000548525281 567321015 /nfs/dbraw/zinc/32/10/15/567321015.db2.gz FADZFDSDUSQLDW-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000476404130 567321906 /nfs/dbraw/zinc/32/19/06/567321906.db2.gz XHDCQFGZQSCJKO-UHFFFAOYSA-N -2 0 383.857 3.235 20 0 GGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000548525447 567321961 /nfs/dbraw/zinc/32/19/61/567321961.db2.gz IFOANUCHZHZNSC-UHFFFAOYSA-N -2 0 377.365 3.325 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000548526597 567322575 /nfs/dbraw/zinc/32/25/75/567322575.db2.gz KDIKMYPAUOHGJL-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL CCc1ncc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])s1 ZINC000548540076 567324725 /nfs/dbraw/zinc/32/47/25/567324725.db2.gz VQSZLJKEPSDTQM-UHFFFAOYSA-N -2 0 380.369 3.223 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2F)ccc1C(=O)[O-] ZINC000476737882 567346909 /nfs/dbraw/zinc/34/69/09/567346909.db2.gz KIHWPMROJIFGEG-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1cc(Br)c(O)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000477319584 567388589 /nfs/dbraw/zinc/38/85/89/567388589.db2.gz PDMXLEFGXNSONS-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477424198 567393763 /nfs/dbraw/zinc/39/37/63/567393763.db2.gz RSBQSKYRYZQEEZ-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)cc1 ZINC000477429592 567394141 /nfs/dbraw/zinc/39/41/41/567394141.db2.gz SGKHYJDGFBOXKX-UHFFFAOYSA-N -2 0 385.800 3.327 20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000436476653 567426513 /nfs/dbraw/zinc/42/65/13/567426513.db2.gz JYRACFCSKOTGCO-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1O ZINC000436638548 567440657 /nfs/dbraw/zinc/44/06/57/567440657.db2.gz FNIOJPRBUVYUTG-UHFFFAOYSA-N -2 0 376.415 3.015 20 0 GGADRL CO[C@H](C)c1nc(=NC(=O)c2cc(Cl)cc(Br)c2[O-])s[n-]1 ZINC000436729431 567447508 /nfs/dbraw/zinc/44/75/08/567447508.db2.gz GNYIOBJVHZCAIX-RXMQYKEDSA-N -2 0 392.662 3.041 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c(Cl)c1Cl ZINC000436774012 567451673 /nfs/dbraw/zinc/45/16/73/567451673.db2.gz UXUBRRGXLHLPOU-UHFFFAOYSA-N -2 0 392.216 3.207 20 0 GGADRL CSCCc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1 ZINC000436844628 567456197 /nfs/dbraw/zinc/45/61/97/567456197.db2.gz HANYXBOAPIGBPD-UHFFFAOYSA-N -2 0 381.475 3.105 20 0 GGADRL O=C([O-])C[C@H]1CCCN(C(=O)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000570211198 567466049 /nfs/dbraw/zinc/46/60/49/567466049.db2.gz AXMPTGOBOWYFFN-MRVPVSSYSA-N -2 0 376.634 3.135 20 0 GGADRL CCSCc1cccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c1 ZINC000436925948 567466922 /nfs/dbraw/zinc/46/69/22/567466922.db2.gz HXOQGSGDDMGOQM-UHFFFAOYSA-N -2 0 381.475 3.453 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1O ZINC000436948392 567467957 /nfs/dbraw/zinc/46/79/57/567467957.db2.gz JJKZIVFUFYEVMI-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1 ZINC000436998357 567473447 /nfs/dbraw/zinc/47/34/47/567473447.db2.gz BKGGDUHEILBUPS-UHFFFAOYSA-N -2 0 383.809 3.056 20 0 GGADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(Cl)c(OC(F)F)c2)c1 ZINC000436995485 567473635 /nfs/dbraw/zinc/47/36/35/567473635.db2.gz DJPUTOSBHWQUFR-UHFFFAOYSA-N -2 0 393.751 3.146 20 0 GGADRL Cc1cc(S(=O)(=O)[N-][C@H](c2cccc(C)c2)C(F)(F)F)oc1C(=O)[O-] ZINC000663422576 567507373 /nfs/dbraw/zinc/50/73/73/567507373.db2.gz LTOUARFBKYBGIA-CYBMUJFWSA-N -2 0 377.340 3.177 20 0 GGADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccn(CCC(C)C)n1 ZINC000479349465 567526529 /nfs/dbraw/zinc/52/65/29/567526529.db2.gz WIGJHAYILKWAML-UHFFFAOYSA-N -2 0 385.873 3.390 20 0 GGADRL Cc1cc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)ccc1C(=O)[O-] ZINC000479350876 567527895 /nfs/dbraw/zinc/52/78/95/567527895.db2.gz YYCCJBZYOLCVLT-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)cc1C(=O)[O-] ZINC000504268443 567528183 /nfs/dbraw/zinc/52/81/83/567528183.db2.gz VRRBVSNWWVMLPT-UHFFFAOYSA-N -2 0 376.356 3.334 20 0 GGADRL Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cc1C(=O)[O-] ZINC000479387335 567530726 /nfs/dbraw/zinc/53/07/26/567530726.db2.gz IJAZVXXKDJHAGD-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c1C ZINC000479437545 567534577 /nfs/dbraw/zinc/53/45/77/567534577.db2.gz KWZBTVBMXRVDJO-UHFFFAOYSA-N -2 0 385.873 3.452 20 0 GGADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1)C(=O)[O-] ZINC000504658225 567542669 /nfs/dbraw/zinc/54/26/69/567542669.db2.gz QFUWBIWVYOWHKV-MRVPVSSYSA-N -2 0 391.392 3.470 20 0 GGADRL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438769119 567542974 /nfs/dbraw/zinc/54/29/74/567542974.db2.gz GKLNGPAYPSPUQO-UHFFFAOYSA-N -2 0 382.825 3.106 20 0 GGADRL C[C@H](Sc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1)C(=O)[O-] ZINC000504673764 567544169 /nfs/dbraw/zinc/54/41/69/567544169.db2.gz QZBXNXDPHUITAB-QMMMGPOBSA-N -2 0 391.392 3.470 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1OC(F)F ZINC000438775399 567545579 /nfs/dbraw/zinc/54/55/79/567545579.db2.gz TYLWQRXHHCGUJY-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438797993 567546729 /nfs/dbraw/zinc/54/67/29/567546729.db2.gz BRXVNTIRCFHYRH-UHFFFAOYSA-N -2 0 383.809 3.016 20 0 GGADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000505123768 567561342 /nfs/dbraw/zinc/56/13/42/567561342.db2.gz IUFMUCHUXNZCQR-UHFFFAOYSA-N -2 0 383.809 3.050 20 0 GGADRL Cc1cscc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000439045641 567562993 /nfs/dbraw/zinc/56/29/93/567562993.db2.gz XWHDISKJCJKAAI-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)sc1C(=O)[O-] ZINC000439243713 567575103 /nfs/dbraw/zinc/57/51/03/567575103.db2.gz FOOWPQBEWDVIOU-UHFFFAOYSA-N -2 0 381.460 3.074 20 0 GGADRL COc1ccc2c(c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)CCC2 ZINC000480223162 567590287 /nfs/dbraw/zinc/59/02/87/567590287.db2.gz HVCHAEBAOIQKFJ-UHFFFAOYSA-N -2 0 381.837 3.336 20 0 GGADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000439623464 567597237 /nfs/dbraw/zinc/59/72/37/567597237.db2.gz JONPNICFQDYOLP-UHFFFAOYSA-N -2 0 385.800 3.327 20 0 GGADRL CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1C(=O)[O-] ZINC000440803473 567644363 /nfs/dbraw/zinc/64/43/63/567644363.db2.gz GGTVJCVQBCNNPT-UHFFFAOYSA-N -2 0 383.809 3.100 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2C)[nH]n1 ZINC000531496269 567663481 /nfs/dbraw/zinc/66/34/81/567663481.db2.gz QGOMTICCAJYIDI-UHFFFAOYSA-N -2 0 377.447 3.254 20 0 GGADRL CCCCc1nc2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)ccc2[nH]1 ZINC000531528684 567663541 /nfs/dbraw/zinc/66/35/41/567663541.db2.gz SPDDXPKJJNMHKW-UHFFFAOYSA-N -2 0 379.463 3.466 20 0 GGADRL O=C([O-])c1cccc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c1 ZINC000531744760 567675824 /nfs/dbraw/zinc/67/58/24/567675824.db2.gz PMRNWIMZKCAGCK-UHFFFAOYSA-N -2 0 387.189 3.241 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(Cl)c(C)c1 ZINC000442226022 567685876 /nfs/dbraw/zinc/68/58/76/567685876.db2.gz XSURXEKCDVQDKM-UHFFFAOYSA-N -2 0 383.853 3.393 20 0 GGADRL CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1Cl ZINC000507580905 567688144 /nfs/dbraw/zinc/68/81/44/567688144.db2.gz HYHVCJVCVKPPBG-UHFFFAOYSA-N -2 0 383.809 3.100 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc(C(=O)[O-])c1 ZINC000507649155 567693199 /nfs/dbraw/zinc/69/31/99/567693199.db2.gz KBVLOOCLFMULQE-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1cc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cc(C(=O)[O-])c1 ZINC000507650046 567693298 /nfs/dbraw/zinc/69/32/98/567693298.db2.gz NUTUSZSMRJWJHE-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)sc1C(=O)[O-] ZINC000460839520 567705574 /nfs/dbraw/zinc/70/55/74/567705574.db2.gz VZTVEVVGSXUJPK-UHFFFAOYSA-N -2 0 381.353 3.296 20 0 GGADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507951840 567718953 /nfs/dbraw/zinc/71/89/53/567718953.db2.gz PWAZSGXEVAHVPK-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461342341 567730643 /nfs/dbraw/zinc/73/06/43/567730643.db2.gz SQWXJKJYJXNIOI-UHFFFAOYSA-N -2 0 381.353 3.275 20 0 GGADRL Cc1ncc(S(=O)(=O)[N-]c2ccc(-n3cccc3C(=O)[O-])c(C)c2)s1 ZINC000532848840 567738937 /nfs/dbraw/zinc/73/89/37/567738937.db2.gz LMKZPJLMWWVGKE-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000532845874 567738967 /nfs/dbraw/zinc/73/89/67/567738967.db2.gz YIZDGIDRORRXCL-UHFFFAOYSA-N -2 0 375.324 3.213 20 0 GGADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc3ccsc32)cc1F ZINC000443451968 567758312 /nfs/dbraw/zinc/75/83/12/567758312.db2.gz GXRSGHWUQUVUJQ-UHFFFAOYSA-N -2 0 381.406 3.305 20 0 GGADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc3ccsc32)c1 ZINC000443468962 567760026 /nfs/dbraw/zinc/76/00/26/567760026.db2.gz QGURZDDGLCZZSW-UHFFFAOYSA-N -3 0 377.399 3.099 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)cc1Cl ZINC000444426768 567805446 /nfs/dbraw/zinc/80/54/46/567805446.db2.gz VIYGVXMVWHEDEA-UHFFFAOYSA-N -2 0 377.809 3.229 20 0 GGADRL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000170604829 570862273 /nfs/dbraw/zinc/86/22/73/570862273.db2.gz PBAHFUMKSZQKGB-NSHDSACASA-N -2 0 399.852 3.253 20 0 GGADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000819626123 597301832 /nfs/dbraw/zinc/30/18/32/597301832.db2.gz JNLZMMIMIJNDMT-UHFFFAOYSA-N -2 0 388.214 3.016 20 0 GGADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1c(C)cc(C)cc1C ZINC000738355482 599705102 /nfs/dbraw/zinc/70/51/02/599705102.db2.gz JHBMFJWITBOUEQ-HNNXBMFYSA-N -2 0 391.489 3.441 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1OC1CCCC1 ZINC000738041032 599736479 /nfs/dbraw/zinc/73/64/79/599736479.db2.gz FKZDPCMVSWHLDM-UHFFFAOYSA-N -2 0 381.406 3.109 20 0 GGADRL CCOC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)ccc2s1 ZINC000737153942 599737704 /nfs/dbraw/zinc/73/77/04/599737704.db2.gz JIPUFEQAIDARPB-UHFFFAOYSA-N -2 0 395.414 3.170 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(C(F)(F)F)c1 ZINC000737203634 599738440 /nfs/dbraw/zinc/73/84/40/599738440.db2.gz PHFLBIDLJUOPAV-UHFFFAOYSA-N -2 0 379.312 3.196 20 0 GGADRL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737195504 599738551 /nfs/dbraw/zinc/73/85/51/599738551.db2.gz QRENOMMEISJGBB-UHFFFAOYSA-N -2 0 379.312 3.196 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)o1 ZINC000739489140 599738896 /nfs/dbraw/zinc/73/88/96/599738896.db2.gz PNLOXPUMIJUGOG-UHFFFAOYSA-N -2 0 386.385 3.031 20 0 GGADRL CC(C)c1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000736513863 599739524 /nfs/dbraw/zinc/73/95/24/599739524.db2.gz KPZMJVVYCGDYFY-UHFFFAOYSA-N -2 0 389.433 3.147 20 0 GGADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000484978112 599747158 /nfs/dbraw/zinc/74/71/58/599747158.db2.gz FOXQBZLKPBJFHH-UHFFFAOYSA-N -2 0 377.418 3.003 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cccc1OCC(F)(F)F ZINC000738305744 599748400 /nfs/dbraw/zinc/74/84/00/599748400.db2.gz PSHFBRUXOQLGQA-UHFFFAOYSA-N -2 0 395.380 3.497 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cccc1OCC(F)(F)F ZINC000738304836 599748449 /nfs/dbraw/zinc/74/84/49/599748449.db2.gz HNISZGCMEYPQID-UHFFFAOYSA-N -2 0 395.380 3.497 20 0 GGADRL C[C@@H](Oc1cccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1)C(=O)[O-] ZINC000736704568 599801215 /nfs/dbraw/zinc/80/12/15/599801215.db2.gz SGTCBECOWMMRNO-UIJKISKDSA-N -2 0 380.356 3.056 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(OCC(F)(F)F)c1 ZINC000740155010 599802322 /nfs/dbraw/zinc/80/23/22/599802322.db2.gz KULLRFVGDPEFPZ-UHFFFAOYSA-N -2 0 393.314 3.266 20 0 GGADRL Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)s2)cc1F ZINC000738603063 599802442 /nfs/dbraw/zinc/80/24/42/599802442.db2.gz PEMZBUNDXYVEDU-UHFFFAOYSA-N -2 0 396.421 3.273 20 0 GGADRL Cc1cc([C@H]2NC(=O)N(c3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])ccc1F ZINC000736752179 599849499 /nfs/dbraw/zinc/84/94/99/599849499.db2.gz UYYHPYGLLHLZTG-QGZVFWFLSA-N -2 0 384.363 3.462 20 0 GGADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000737204254 599851928 /nfs/dbraw/zinc/85/19/28/599851928.db2.gz WMXWFRFYYYJVEV-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000317440063 599852766 /nfs/dbraw/zinc/85/27/66/599852766.db2.gz QZKVBSGBHJCGPW-UHFFFAOYSA-N -2 0 384.251 3.267 20 0 GGADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000739766910 599854271 /nfs/dbraw/zinc/85/42/71/599854271.db2.gz OEMXYIXKACUUQN-UHFFFAOYSA-N -2 0 375.233 3.206 20 0 GGADRL COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000737680779 599858634 /nfs/dbraw/zinc/85/86/34/599858634.db2.gz HZWOESGUVDTIPW-HXUWFJFHSA-N -2 0 391.420 3.171 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c1 ZINC000740144317 599865070 /nfs/dbraw/zinc/86/50/70/599865070.db2.gz OGWUMRMBEYBZCG-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)ccc1N1CCCCC1 ZINC000740145532 599865793 /nfs/dbraw/zinc/86/57/93/599865793.db2.gz SVRVRZPAMIQLGE-UHFFFAOYSA-N -2 0 396.415 3.454 20 0 GGADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000484966795 599885774 /nfs/dbraw/zinc/88/57/74/599885774.db2.gz SSNSIQJLCMUXMU-UHFFFAOYSA-N -2 0 389.351 3.390 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)s1 ZINC000740177613 599886348 /nfs/dbraw/zinc/88/63/48/599886348.db2.gz MSKGWZKLTMPDGC-UHFFFAOYSA-N -2 0 383.838 3.086 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c1 ZINC000740270687 599886369 /nfs/dbraw/zinc/88/63/69/599886369.db2.gz AXTHZNNTWOCKRV-UHFFFAOYSA-N -2 0 383.838 3.086 20 0 GGADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000477405621 599905614 /nfs/dbraw/zinc/90/56/14/599905614.db2.gz LRNUBMUFICGNMT-UHFFFAOYSA-N -2 0 387.360 3.104 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1NC(=O)NC(C)C ZINC000477422153 599906424 /nfs/dbraw/zinc/90/64/24/599906424.db2.gz VZEVDLXTYXJHDH-UHFFFAOYSA-N -2 0 391.449 3.024 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1OCC(F)(F)F ZINC000477421034 599906644 /nfs/dbraw/zinc/90/66/44/599906644.db2.gz FCNRCIJYGSQQLT-UHFFFAOYSA-N -2 0 389.351 3.435 20 0 GGADRL COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477438338 599907909 /nfs/dbraw/zinc/90/79/09/599907909.db2.gz WYGDNQOGXWOIPD-UHFFFAOYSA-N -2 0 399.852 3.173 20 0 GGADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000738604528 599907941 /nfs/dbraw/zinc/90/79/41/599907941.db2.gz VQBFJCGOQYIZDV-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2Cl)c1 ZINC000738276897 599908306 /nfs/dbraw/zinc/90/83/06/599908306.db2.gz JHJOHBCCARRXOY-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000740136775 599924519 /nfs/dbraw/zinc/92/45/19/599924519.db2.gz XQXXOCLJBQRPAU-UHFFFAOYSA-N -2 0 392.245 3.202 20 0 GGADRL Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)ccc1C(=O)[O-] ZINC000476740288 599924940 /nfs/dbraw/zinc/92/49/40/599924940.db2.gz PEOKWZKRJAWVLT-UHFFFAOYSA-N -2 0 389.429 3.071 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000737909480 599926612 /nfs/dbraw/zinc/92/66/12/599926612.db2.gz JFXZHQAGPGHAQC-UHFFFAOYSA-N -2 0 396.421 3.251 20 0 GGADRL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000739874606 599926754 /nfs/dbraw/zinc/92/67/54/599926754.db2.gz SQIFXSDWEQGCCI-UHFFFAOYSA-N -2 0 391.392 3.223 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCc2cscn2)s1 ZINC000740187760 599927204 /nfs/dbraw/zinc/92/72/04/599927204.db2.gz UNMOPSGHLTZTEL-UHFFFAOYSA-N -2 0 396.471 3.283 20 0 GGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)sc2C1 ZINC000736940751 599966464 /nfs/dbraw/zinc/96/64/64/599966464.db2.gz UDAKSOQRKSWLDZ-LLVKDONJSA-N -2 0 380.491 3.465 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(Br)c2C)c1C(=O)[O-] ZINC000318804002 599981807 /nfs/dbraw/zinc/98/18/07/599981807.db2.gz WYTXMSSNTOEVGP-UHFFFAOYSA-N -2 0 388.239 3.466 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)c1C(=O)[O-] ZINC000738970240 599981923 /nfs/dbraw/zinc/98/19/23/599981923.db2.gz SPSAUUWXHYEHGX-UHFFFAOYSA-N -2 0 380.422 3.112 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)c1 ZINC000740145055 599982147 /nfs/dbraw/zinc/98/21/47/599982147.db2.gz VSRZHLOIKKMMBO-UHFFFAOYSA-N -2 0 380.397 3.041 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2csc(C3CC3)n2)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC000736749027 599983587 /nfs/dbraw/zinc/98/35/87/599983587.db2.gz VJRZTZSXZQDINS-HNNXBMFYSA-N -2 0 399.428 3.348 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2cc(F)ccc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000736745636 599987977 /nfs/dbraw/zinc/98/79/77/599987977.db2.gz JDRZECMDQHHYJA-INIZCTEOSA-N -2 0 382.363 3.035 20 0 GGADRL CCc1ccc([C@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])s1 ZINC000737260180 599988086 /nfs/dbraw/zinc/98/80/86/599988086.db2.gz BIWLBRLKZIIRQH-MRXNPFEDSA-N -2 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GGADRL O=C([O-])CCCc1nnc(NC(=O)c2c([O-])cc(Cl)cc2Cl)s1 ZINC000833232327 601212017 /nfs/dbraw/zinc/21/20/17/601212017.db2.gz NCIIIMNUYLINPL-UHFFFAOYSA-N -2 0 376.221 3.210 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000831933971 601213317 /nfs/dbraw/zinc/21/33/17/601213317.db2.gz FBQOERWRCLOABJ-LLVKDONJSA-N -2 0 395.380 3.037 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2cccc(N3CCC(C)CC3)c2)cc1C(=O)[O-] ZINC000833029397 601230817 /nfs/dbraw/zinc/23/08/17/601230817.db2.gz ICMVIVHUBUHQCU-UHFFFAOYSA-N -2 0 378.450 3.323 20 0 GGADRL CSc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)cc2s1 ZINC000832798161 601231229 /nfs/dbraw/zinc/23/12/29/601231229.db2.gz GIPJJRAXJMKZGZ-UHFFFAOYSA-N -2 0 384.460 3.419 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1C(=O)[O-] ZINC000833029386 601231364 /nfs/dbraw/zinc/23/13/64/601231364.db2.gz HTAGSQFKSXSSFR-UHFFFAOYSA-N -2 0 379.390 3.129 20 0 GGADRL COC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831353218 601232106 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Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c1 ZINC000156308934 1423770865 /nfs/dbraw/zinc/77/08/65/1423770865.db2.gz YBGZEHRFJHAIEW-UHFFFAOYSA-N -2 0 375.381 3.023 20 0 GGADRL CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)cc21 ZINC000156312343 1423772046 /nfs/dbraw/zinc/77/20/46/1423772046.db2.gz XJGJKJRZDPQCHH-UHFFFAOYSA-N -2 0 377.397 3.003 20 0 GGADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1C ZINC000156370037 1423800486 /nfs/dbraw/zinc/80/04/86/1423800486.db2.gz XMIUURYWZKIYSM-UHFFFAOYSA-N -2 0 385.873 3.452 20 0 GGADRL CC(C)c1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000735932666 1423819003 /nfs/dbraw/zinc/81/90/03/1423819003.db2.gz PGRFKOXUEXSZOQ-UHFFFAOYSA-N -2 0 377.857 3.444 20 0 GGADRL CSCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826229258 1423930056 /nfs/dbraw/zinc/93/00/56/1423930056.db2.gz WWQMMXMMKHEDPB-UHFFFAOYSA-N -2 0 395.897 3.184 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1cc(C)ccc1C ZINC000161821282 1424772214 /nfs/dbraw/zinc/77/22/14/1424772214.db2.gz NGYFHWKQVIPIOI-UHFFFAOYSA-N -2 0 399.472 3.225 20 0 GGADRL Cc1c(O)ccc2c(CSc3ccc(-c4nnn[n-]4)cc3F)cc(=O)oc12 ZINC000737220412 1424960399 /nfs/dbraw/zinc/96/03/99/1424960399.db2.gz XCYSUASSCJESHC-UHFFFAOYSA-N -2 0 384.392 3.419 20 0 GGADRL O=S(=O)([N-]c1ccccc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738342135 1425017932 /nfs/dbraw/zinc/01/79/32/1425017932.db2.gz LYDPFEVNIMRERG-UHFFFAOYSA-N -2 0 395.419 3.474 20 0 GGADRL O=C(CCc1ccccc1O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826409418 1425069334 /nfs/dbraw/zinc/06/93/34/1425069334.db2.gz XXNVRAOLGUCPRW-UHFFFAOYSA-N -2 0 392.444 3.267 20 0 GGADRL O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1sccc1-c1nn[n-]n1 ZINC000823383472 1425717632 /nfs/dbraw/zinc/71/76/32/1425717632.db2.gz RSQNFJHASYUXSK-UHFFFAOYSA-N -2 0 389.853 3.352 20 0 GGADRL CSc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1C ZINC000826230968 1425788680 /nfs/dbraw/zinc/78/86/80/1425788680.db2.gz QUIQKZUTXNNZKK-UHFFFAOYSA-N -2 0 395.897 3.351 20 0 GGADRL COc1ccccc1CC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826219964 1426593062 /nfs/dbraw/zinc/59/30/62/1426593062.db2.gz XMBQJRYCUYTGDS-UHFFFAOYSA-N -2 0 392.444 3.180 20 0 GGADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000824135277 1426882248 /nfs/dbraw/zinc/88/22/48/1426882248.db2.gz DCVIZQBNZXLODH-UHFFFAOYSA-N -2 0 381.458 3.166 20 0 GGADRL Cc1cc(=O)[nH]c(CSc2nc(-c3ccccc3)ccc2-c2nnn[n-]2)n1 ZINC000822210643 1427166952 /nfs/dbraw/zinc/16/69/52/1427166952.db2.gz LLZOGXSGFGJJMB-UHFFFAOYSA-N -2 0 377.433 3.025 20 0 GGADRL Cc1cc(C(=O)Nc2cccc(-c3cccs3)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000174475458 1427172496 /nfs/dbraw/zinc/17/24/96/1427172496.db2.gz CGYROUXOUALEEO-UHFFFAOYSA-N -2 0 378.413 3.313 20 0 GGADRL CC(C)(CC(=O)[O-])CC(=O)NCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000735665503 1427186499 /nfs/dbraw/zinc/18/64/99/1427186499.db2.gz YJOQSTOSQPTICV-UHFFFAOYSA-N -2 0 399.476 3.102 20 0 GGADRL O=C(Nc1cc(-c2nnn[n-]2)ccc1O)c1cc(Cl)ccc1OC(F)F ZINC000826451052 1427358524 /nfs/dbraw/zinc/35/85/24/1427358524.db2.gz NSDUHVCNMRBBQC-UHFFFAOYSA-N -2 0 381.726 3.079 20 0 GGADRL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000823299235 1427366010 /nfs/dbraw/zinc/36/60/10/1427366010.db2.gz NLUVQXOAQLTXKA-UHFFFAOYSA-N -2 0 394.616 3.241 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000822267290 1427591518 /nfs/dbraw/zinc/59/15/18/1427591518.db2.gz REXJIMAKQXQTKR-UHFFFAOYSA-N -2 0 389.384 3.056 20 0 GGADRL O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823382985 1427739242 /nfs/dbraw/zinc/73/92/42/1427739242.db2.gz IMUZRMLYKVSPPM-UHFFFAOYSA-N -2 0 389.853 3.352 20 0 GGADRL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)c(C)c1 ZINC000822209437 1427879418 /nfs/dbraw/zinc/87/94/18/1427879418.db2.gz JARROHNZVOGUFR-UHFFFAOYSA-N -2 0 397.382 3.303 20 0 GGADRL Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(Sc2ccccc2)ns1 ZINC000826250724 1428150370 /nfs/dbraw/zinc/15/03/70/1428150370.db2.gz PDIWDTIIKIBUOB-UHFFFAOYSA-N -2 0 395.473 3.430 20 0 GGADRL Cc1ccc(-c2nnc([N-]C(=O)c3cc(-c4nn[n-]n4)cs3)s2)c(C)c1 ZINC000822214256 1428204639 /nfs/dbraw/zinc/20/46/39/1428204639.db2.gz WRTNDYOHNJMCHG-UHFFFAOYSA-N -2 0 383.462 3.316 20 0 GGADRL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000825632466 1429851826 /nfs/dbraw/zinc/85/18/26/1429851826.db2.gz SXNQYGDFTPUVOV-UHFFFAOYSA-N -2 0 393.856 3.028 20 0 GGADRL C[C@@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820384902 1429859326 /nfs/dbraw/zinc/85/93/26/1429859326.db2.gz MTFDCYDKBLPITC-MRVPVSSYSA-N -2 0 378.219 3.370 20 0 GGADRL CC(C)Oc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1-c1nn[n-]n1 ZINC000820161645 1430015243 /nfs/dbraw/zinc/01/52/43/1430015243.db2.gz ZHGNWLRQUXEIJQ-UHFFFAOYSA-N -2 0 387.440 3.018 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cnc(Br)c(C)c2)sc1C(=O)[O-] ZINC000181174115 1430237459 /nfs/dbraw/zinc/23/74/59/1430237459.db2.gz TZZLADPPMDFWNA-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)c(C)c1CC(=O)[O-] ZINC000181287285 1430263514 /nfs/dbraw/zinc/26/35/14/1430263514.db2.gz KUTYYXRNMXUSOJ-UHFFFAOYSA-N -2 0 393.509 3.282 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000181726807 1430348589 /nfs/dbraw/zinc/34/85/89/1430348589.db2.gz DSAQXCCCPCFCHM-UHFFFAOYSA-N -2 0 379.482 3.217 20 0 GGADRL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000181786902 1430360100 /nfs/dbraw/zinc/36/01/00/1430360100.db2.gz PDHUMLPJBVGEKY-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL CC[C@@H](CNC(=O)c1ccc([O-])c(Cl)c1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000183568308 1430743271 /nfs/dbraw/zinc/74/32/71/1430743271.db2.gz ABISZZIJDKOUJQ-LBPRGKRZSA-N -2 0 397.258 3.343 20 0 GGADRL Cc1cc(C(=O)N2CCc3c2cccc3-c2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000184141355 1430846670 /nfs/dbraw/zinc/84/66/70/1430846670.db2.gz OTJOSXVUOPFCPY-UHFFFAOYSA-N -2 0 398.422 3.202 20 0 GGADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1)C(=O)[O-] ZINC000184900684 1431016838 /nfs/dbraw/zinc/01/68/38/1431016838.db2.gz CRTLOMUYAORRQW-MRXNPFEDSA-N -2 0 399.472 3.326 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)cc(C(=O)[O-])c1Cl ZINC000187716884 1431803370 /nfs/dbraw/zinc/80/33/70/1431803370.db2.gz IRUWXGBAPSCESE-JTQLQIEISA-N -2 0 383.857 3.315 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)c1Cl ZINC000187719141 1431803526 /nfs/dbraw/zinc/80/35/26/1431803526.db2.gz XJTSIMMGNRPALW-JTQLQIEISA-N -2 0 383.857 3.315 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1cccc(C)c1 ZINC000189461465 1432120128 /nfs/dbraw/zinc/12/01/28/1432120128.db2.gz QMTRGDKRKNFEBW-UHFFFAOYSA-N -2 0 399.472 3.171 20 0 GGADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000193501332 1433009918 /nfs/dbraw/zinc/00/99/18/1433009918.db2.gz PFHOICCIDYOHCE-UHFFFAOYSA-N -2 0 379.196 3.335 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000194223143 1433142483 /nfs/dbraw/zinc/14/24/83/1433142483.db2.gz UCUUFUXRRGKFOF-UHFFFAOYSA-N -2 0 381.429 3.253 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)nc1C ZINC000222850605 1433366539 /nfs/dbraw/zinc/36/65/39/1433366539.db2.gz OYOBLXKMWXQZFF-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL Cc1cc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000253546939 1433868810 /nfs/dbraw/zinc/86/88/10/1433868810.db2.gz IERRLUDPGSMTRW-UMVBOHGHSA-N -2 0 378.432 3.151 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000266776032 1434374018 /nfs/dbraw/zinc/37/40/18/1434374018.db2.gz LGDRGDGNGYLAFX-UHFFFAOYSA-N -2 0 394.449 3.380 20 0 GGADRL Cc1cc(C(=O)N2CC3(CCCC3)c3ccccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000267587311 1434447836 /nfs/dbraw/zinc/44/78/36/1434447836.db2.gz SWVYXADMZGUOIS-UHFFFAOYSA-N -2 0 376.416 3.217 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2ccc(OC)cc2C(F)(F)F)cc1C(=O)[O-] ZINC000271023332 1434796515 /nfs/dbraw/zinc/79/65/15/1434796515.db2.gz GSTZWTVGYIXCME-UHFFFAOYSA-N -2 0 392.355 3.034 20 0 GGADRL O=S(=O)([N-]c1ccc(-c2nc([C@@H]3CCCO3)no2)c([O-])c1)c1cccs1 ZINC000274193417 1435050150 /nfs/dbraw/zinc/05/01/50/1435050150.db2.gz QRXKAQXWXHNWPK-ZDUSSCGKSA-N -2 0 393.446 3.156 20 0 GGADRL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)CCC(=O)[O-])c1 ZINC000277412651 1435302846 /nfs/dbraw/zinc/30/28/46/1435302846.db2.gz DVXLULUURGQHFS-UHFFFAOYSA-N -2 0 391.445 3.160 20 0 GGADRL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1Cl)c1cc2ccccc2o1 ZINC000823582963 1441444884 /nfs/dbraw/zinc/44/48/84/1441444884.db2.gz FBXXRMZUJCLWDM-UHFFFAOYSA-N -2 0 375.797 3.067 20 0 GGADRL CC[C@@H](C)Oc1cccc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000736328472 1441896613 /nfs/dbraw/zinc/89/66/13/1441896613.db2.gz PBJDQWUQBRPOIL-CYBMUJFWSA-N -2 0 387.465 3.153 20 0 GGADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000821486236 1441975969 /nfs/dbraw/zinc/97/59/69/1441975969.db2.gz AJWBGADOQNPVHU-UHFFFAOYSA-N -2 0 393.494 3.079 20 0 GGADRL Cc1ncc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826329918 1442016297 /nfs/dbraw/zinc/01/62/97/1442016297.db2.gz XUTCPFOBXSXHLY-UHFFFAOYSA-N -2 0 392.444 3.038 20 0 GGADRL O=C(CCc1cscn1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826409198 1442327238 /nfs/dbraw/zinc/32/72/38/1442327238.db2.gz MRFQSLRNMSJLBF-UHFFFAOYSA-N -2 0 383.462 3.018 20 0 GGADRL O=C(c1ccc(Cl)c(Cl)c1[O-])N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826472894 1443079639 /nfs/dbraw/zinc/07/96/39/1443079639.db2.gz BJHPCNICBUETPN-UHFFFAOYSA-N -2 0 376.203 3.082 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c(C)c1 ZINC000825642772 1443347677 /nfs/dbraw/zinc/34/76/77/1443347677.db2.gz BJBFUFWEZFQTTK-UHFFFAOYSA-N -2 0 393.856 3.028 20 0 GGADRL Cc1nc(-c2ccsc2)ccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1O ZINC000826323245 1443431623 /nfs/dbraw/zinc/43/16/23/1443431623.db2.gz WLOPTOMBWNZFJA-UHFFFAOYSA-N -2 0 378.417 3.257 20 0 GGADRL Cc1cc(C)cc(-c2nnc([N-]C(=O)Cc3ccc(-c4nn[n-]n4)cc3)s2)c1 ZINC000737251196 1443489260 /nfs/dbraw/zinc/48/92/60/1443489260.db2.gz BXDHOHFTEZBWGE-UHFFFAOYSA-N -2 0 391.460 3.183 20 0 GGADRL Cc1ccc(C(=O)C(=O)[N-]c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000822225240 1443526129 /nfs/dbraw/zinc/52/61/29/1443526129.db2.gz USHRVLHEPYQDOH-UHFFFAOYSA-N -2 0 390.428 3.120 20 0 GGADRL O=S(=O)([N-]c1cccc2ccsc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826493188 1443552704 /nfs/dbraw/zinc/55/27/04/1443552704.db2.gz XNUOKBUEWWCVMT-UHFFFAOYSA-N -2 0 393.400 3.160 20 0 GGADRL CCC(CC)c1nnc([N-]C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000820897907 1443813459 /nfs/dbraw/zinc/81/34/59/1443813459.db2.gz QAVTWZIELXVUAR-UHFFFAOYSA-N -2 0 379.396 3.152 20 0 GGADRL O=C(Nc1nc2ccccc2s1)[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738211524 1443814776 /nfs/dbraw/zinc/81/47/76/1443814776.db2.gz NZMVMEGKFXLAPF-OAHLLOKOSA-N -2 0 391.460 3.084 20 0 GGADRL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1OC1CCCC1 ZINC000737224976 1443875784 /nfs/dbraw/zinc/87/57/84/1443875784.db2.gz JUEHEWBNLUEVBK-UHFFFAOYSA-N -2 0 399.476 3.297 20 0 GGADRL C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]c1cc(-c2ccccc2F)no1 ZINC000736167375 1443894717 /nfs/dbraw/zinc/89/47/17/1443894717.db2.gz DSATXOOBQBSZFW-NSHDSACASA-N -2 0 394.366 3.067 20 0 GGADRL C[C@@H](NC(=O)[N-]c1nc(-c2ccccc2)ns1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380594 1446160917 /nfs/dbraw/zinc/16/09/17/1446160917.db2.gz XDAJPCFBRAPLAV-LLVKDONJSA-N -2 0 392.448 3.268 20 0 GGADRL O=S(=O)(Nc1ccccc1Nc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826493063 1446245879 /nfs/dbraw/zinc/24/58/79/1446245879.db2.gz QXEHIQFMEXWKHE-UHFFFAOYSA-N -2 0 392.444 3.411 20 0 GGADRL Cc1nc(NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2F)sc1C ZINC000737480357 1446413922 /nfs/dbraw/zinc/41/39/22/1446413922.db2.gz NZXHBJWUDMENQA-VIFPVBQESA-N -2 0 378.458 3.198 20 0 GGADRL CC(C)(CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)C(=O)[O-] ZINC000735664614 1446943829 /nfs/dbraw/zinc/94/38/29/1446943829.db2.gz LZZNAOKDDBCLHG-UHFFFAOYSA-N -2 0 377.470 3.027 20 0 GGADRL CCc1cc(=O)[nH]c(-c2ccc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)nc2)n1 ZINC000821469624 1446970156 /nfs/dbraw/zinc/97/01/56/1446970156.db2.gz HNJAXUQOVGFENE-GFCCVEGCSA-N -2 0 388.435 3.160 20 0 GGADRL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000824737517 1447184699 /nfs/dbraw/zinc/18/46/99/1447184699.db2.gz HPVHAZQZELFHBL-LLVKDONJSA-N -2 0 399.480 3.172 20 0 GGADRL O=C(CC1CCC1)[N-]c1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822941550 1447211724 /nfs/dbraw/zinc/21/17/24/1447211724.db2.gz ZLTCJNFUVJWNCJ-UHFFFAOYSA-N -2 0 387.494 3.139 20 0 GGADRL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1scnc1-c1ccccc1 ZINC000826279949 1449214538 /nfs/dbraw/zinc/21/45/38/1449214538.db2.gz JAZOZHMIVRPFGY-UHFFFAOYSA-N -2 0 398.473 3.099 20 0 GGADRL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000826255606 1449469379 /nfs/dbraw/zinc/46/93/79/1449469379.db2.gz DHHGRRGFMHJWRV-UHFFFAOYSA-N -2 0 398.473 3.099 20 0 GGADRL CCN(C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C1CCC1 ZINC000736506339 1449981851 /nfs/dbraw/zinc/98/18/51/1449981851.db2.gz UVLOXPJUBVDSDG-UHFFFAOYSA-N -2 0 383.481 3.320 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000735922468 1450154637 /nfs/dbraw/zinc/15/46/37/1450154637.db2.gz KAFZTAZGALUHDI-UHFFFAOYSA-N -2 0 389.419 3.134 20 0 GGADRL CCCCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736463892 1450499050 /nfs/dbraw/zinc/49/90/50/1450499050.db2.gz SDAWLIXQSVCFDX-UHFFFAOYSA-N -2 0 387.465 3.155 20 0 GGADRL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1ccc(Cl)c2ccccc21 ZINC000826492957 1450526512 /nfs/dbraw/zinc/52/65/12/1450526512.db2.gz NAFMFRCNUFVPHE-UHFFFAOYSA-N -2 0 385.836 3.474 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2C#N)cc1C(=O)[O-] ZINC000322747948 970925331 /nfs/dbraw/zinc/92/53/31/970925331.db2.gz BKEVQSQLOPEFRT-UHFFFAOYSA-N -2 0 395.234 3.128 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cnc1Br ZINC000323249553 970981496 /nfs/dbraw/zinc/98/14/96/970981496.db2.gz SSQRSWPTWHFSAS-QPJJXVBHSA-N -2 0 397.250 3.051 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000325074117 971181945 /nfs/dbraw/zinc/18/19/45/971181945.db2.gz YFYFJOOZDICCEF-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c1 ZINC000326722296 971321349 /nfs/dbraw/zinc/32/13/49/971321349.db2.gz BZKZFITXULIDSO-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000327304810 971385076 /nfs/dbraw/zinc/38/50/76/971385076.db2.gz RWYJPMQBVRXYNG-UHFFFAOYSA-N -2 0 383.809 3.050 20 0 GGADRL CC(C)c1nn(C)cc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000327820722 971427273 /nfs/dbraw/zinc/42/72/73/971427273.db2.gz MRPMEFOFQIZLFC-UHFFFAOYSA-N -2 0 379.463 3.257 20 0 GGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC ZINC000327940452 971435466 /nfs/dbraw/zinc/43/54/66/971435466.db2.gz ZJFIBFXOIRBTGX-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000327949395 971436925 /nfs/dbraw/zinc/43/69/25/971436925.db2.gz BOFMNEYFYRZNNR-UHFFFAOYSA-N -2 0 375.324 3.213 20 0 GGADRL Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)c2)n1 ZINC000366146430 971545686 /nfs/dbraw/zinc/54/56/86/971545686.db2.gz WZVKILJJDHDYAF-UHFFFAOYSA-N -2 0 376.390 3.359 20 0 GGADRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])C1 ZINC001589605999 949269582 /nfs/dbraw/zinc/26/95/82/949269582.db2.gz YRFJGIQIMUGCDY-OAQYLSRUSA-N -2 0 385.464 3.418 20 0 GGADRL O=C([O-])CC1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CCOCC1 ZINC001594976849 950927700 /nfs/dbraw/zinc/92/77/00/950927700.db2.gz SIWFCEDCRWVTKR-UHFFFAOYSA-N -2 0 392.633 3.018 20 0 GGADRL CC(C)(C)CN(CC(=O)[O-])C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC001602867244 971727986 /nfs/dbraw/zinc/72/79/86/971727986.db2.gz ABZBERJPZCFJAD-UHFFFAOYSA-N -2 0 399.369 3.170 20 0 GGADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1Br ZINC001595138205 952067973 /nfs/dbraw/zinc/06/79/73/952067973.db2.gz YVXNYPGOQZUQLV-UHFFFAOYSA-N -2 0 388.214 3.016 20 0 GGADRL O=C([O-])[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2[O-])C[C@H]1c1ccccc1 ZINC001595190304 952278785 /nfs/dbraw/zinc/27/87/85/952278785.db2.gz RFKCSLWEOMYSHI-UONOGXRCSA-N -2 0 379.334 3.351 20 0 GGADRL CC[C@H](c1n[n-]c(=NC(=O)NCCC(C)(C)C(=O)[O-])s1)c1ccccc1 ZINC000424380492 953453507 /nfs/dbraw/zinc/45/35/07/953453507.db2.gz KVGPSLVCGXPSEP-ZDUSSCGKSA-N -2 0 376.482 3.124 20 0 GGADRL O=C([O-])c1c(F)ccc([N-]S(=O)(=O)c2ccc(Br)s2)c1F ZINC000386462528 972056103 /nfs/dbraw/zinc/05/61/03/972056103.db2.gz WWINLTTXETUIDL-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL CC(C)C[C@H](CNC(=O)c1cc(Br)cc(Cl)c1[O-])C(=O)[O-] ZINC001603010475 972062589 /nfs/dbraw/zinc/06/25/89/972062589.db2.gz PDGFMTVJWVUJRP-MRVPVSSYSA-N -2 0 378.650 3.285 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(Br)ccc2C)c1C(=O)[O-] ZINC000387407408 972122166 /nfs/dbraw/zinc/12/21/66/972122166.db2.gz CPLYENUKMFWPLS-UHFFFAOYSA-N -2 0 388.239 3.466 20 0 GGADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cccc(Cl)c1Cl ZINC000852735216 955843631 /nfs/dbraw/zinc/84/36/31/955843631.db2.gz GTOSGUICBTUWIT-JQWIXIFHSA-N -2 0 399.196 3.090 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1Br ZINC000007230500 956882624 /nfs/dbraw/zinc/88/26/24/956882624.db2.gz YEZYVILEFHPIRP-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000013078437 956929239 /nfs/dbraw/zinc/92/92/39/956929239.db2.gz NHHPFBCQPPJCQU-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL O=C([O-])c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000013078353 956929537 /nfs/dbraw/zinc/92/95/37/956929537.db2.gz GLTXUXJAFKWYFY-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL O=C([O-])C1(NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])CCCCCC1 ZINC001594724056 956984564 /nfs/dbraw/zinc/98/45/64/956984564.db2.gz HYMGIBRWAZJUBL-UHFFFAOYSA-N -2 0 377.828 3.139 20 0 GGADRL CCc1ccc2nc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)sc2c1 ZINC000013262065 956999304 /nfs/dbraw/zinc/99/93/04/956999304.db2.gz GVIAMNOJQJXZPB-UHFFFAOYSA-N -2 0 380.422 3.497 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)Nc2c(Cl)cccc2C(=O)[O-])ccc1Cl ZINC000013278569 957009727 /nfs/dbraw/zinc/00/97/27/957009727.db2.gz XULWGSLHOXFHLP-UHFFFAOYSA-N -2 0 390.200 3.191 20 0 GGADRL O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc(Br)c(F)cc2[O-])c2ccccc21 ZINC001594727316 957016418 /nfs/dbraw/zinc/01/64/18/957016418.db2.gz RJWTUTVCDHAHRW-QMTHXVAHSA-N -2 0 394.196 3.337 20 0 GGADRL CCc1ccc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3OC)sc2c1 ZINC000013360381 957038392 /nfs/dbraw/zinc/03/83/92/957038392.db2.gz NDUWTNSODPCRTE-UHFFFAOYSA-N -2 0 392.458 3.366 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000014097392 957095149 /nfs/dbraw/zinc/09/51/49/957095149.db2.gz NVIDUHJCNLHATP-UHFFFAOYSA-N -2 0 394.836 3.188 20 0 GGADRL COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000032586537 957175486 /nfs/dbraw/zinc/17/54/86/957175486.db2.gz WYDAIDJESOSENR-UHFFFAOYSA-N -2 0 393.461 3.257 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC000042793455 957427903 /nfs/dbraw/zinc/42/79/03/957427903.db2.gz LEQVCHJYDQYMAK-UHFFFAOYSA-N -2 0 377.752 3.440 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000042796587 957428713 /nfs/dbraw/zinc/42/87/13/957428713.db2.gz XVYDHAWROIFHGA-UHFFFAOYSA-N -3 0 390.200 3.191 20 0 GGADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000042793514 957428757 /nfs/dbraw/zinc/42/87/57/957428757.db2.gz CBQHJGRTPUBMAN-UHFFFAOYSA-N -2 0 387.360 3.104 20 0 GGADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000055612175 957547083 /nfs/dbraw/zinc/54/70/83/957547083.db2.gz JDNNEZPNZPOXGJ-UHFFFAOYSA-N -2 0 399.371 3.285 20 0 GGADRL COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000060839430 957572659 /nfs/dbraw/zinc/57/26/59/957572659.db2.gz MXLNGPFQKKUVPM-UHFFFAOYSA-N -2 0 377.418 3.096 20 0 GGADRL CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000062930463 957629240 /nfs/dbraw/zinc/62/92/40/957629240.db2.gz LJOOTRNPFKLASG-UHFFFAOYSA-N -2 0 399.852 3.254 20 0 GGADRL O=C([O-])c1ccccc1CNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC001574815420 957889927 /nfs/dbraw/zinc/88/99/27/957889927.db2.gz VAJOQTGCLAJXPQ-UHFFFAOYSA-N -2 0 384.613 3.436 20 0 GGADRL Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001594304172 957948396 /nfs/dbraw/zinc/94/83/96/957948396.db2.gz JQFNFBTXBDZURU-UHFFFAOYSA-N -2 0 380.322 3.124 20 0 GGADRL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000391039264 972313157 /nfs/dbraw/zinc/31/31/57/972313157.db2.gz PKNWVUQGKRVRDM-RUDMXATFSA-N -2 0 397.250 3.051 20 0 GGADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000122150035 958472712 /nfs/dbraw/zinc/47/27/12/958472712.db2.gz DFVRXIICYHLVAU-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)c(Cl)cc1Cl ZINC000391636537 972352221 /nfs/dbraw/zinc/35/22/21/972352221.db2.gz IMRYSQFIJFODCW-UHFFFAOYSA-N -2 0 386.216 3.369 20 0 GGADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000126438263 958591403 /nfs/dbraw/zinc/59/14/03/958591403.db2.gz WTODFMFOQDIILG-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1cc(Cl)ccc1Br ZINC000134727139 958859658 /nfs/dbraw/zinc/85/96/58/958859658.db2.gz FICNUSCJMZKLRE-UHFFFAOYSA-N -2 0 397.659 3.058 20 0 GGADRL O=C([O-])[C@H]1C[C@H](NC(=O)c2cccc(Br)c2[O-])c2ccccc21 ZINC001605743704 972390362 /nfs/dbraw/zinc/39/03/62/972390362.db2.gz NVSCYIITOMYMAL-JSGCOSHPSA-N -2 0 376.206 3.198 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c(C(F)(F)F)c1 ZINC000392036070 972402331 /nfs/dbraw/zinc/40/23/31/972402331.db2.gz GHQADDDKKKJKSD-UHFFFAOYSA-N -2 0 381.353 3.275 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cnn1-c1cc(C)ccc1C ZINC000161833809 959197860 /nfs/dbraw/zinc/19/78/60/959197860.db2.gz ULKXKEMXAYXIME-UHFFFAOYSA-N -2 0 385.445 3.297 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1nc(C(C)C)cs1 ZINC000392137653 972414690 /nfs/dbraw/zinc/41/46/90/972414690.db2.gz PHHBMQQOCQTJSM-UHFFFAOYSA-N -2 0 390.870 3.428 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000189462711 959508911 /nfs/dbraw/zinc/50/89/11/959508911.db2.gz KMFZAMMRBIHOQK-UHFFFAOYSA-N -2 0 391.474 3.304 20 0 GGADRL CC(C)c1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000192154525 959590692 /nfs/dbraw/zinc/59/06/92/959590692.db2.gz RHCGKORFLKVQCV-UHFFFAOYSA-N -2 0 385.445 3.495 20 0 GGADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)ccc2C)c1OC ZINC000208028495 959666919 /nfs/dbraw/zinc/66/69/19/959666919.db2.gz USANQGDKACAUJQ-ALCCZGGFSA-N -2 0 395.408 3.050 20 0 GGADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ncc(Br)cc1C ZINC000226479384 959887265 /nfs/dbraw/zinc/88/72/65/959887265.db2.gz QUXZNYDRWMSITB-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2csc(-c3ccncc3)n2)ccc1Cl ZINC001188281947 960551116 /nfs/dbraw/zinc/55/11/16/960551116.db2.gz BSTAWABOAVATDJ-UHFFFAOYSA-N -2 0 395.849 3.358 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)ccc1Cl ZINC001188279818 960551555 /nfs/dbraw/zinc/55/15/55/960551555.db2.gz PSIWLLCEAFOFKN-UHFFFAOYSA-N -2 0 380.731 3.253 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000392714593 972513007 /nfs/dbraw/zinc/51/30/07/972513007.db2.gz NHWPPBMOEGYIAC-UHFFFAOYSA-N -2 0 391.232 3.204 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c2ncccc12 ZINC001195236120 960568836 /nfs/dbraw/zinc/56/88/36/960568836.db2.gz JKZOJQXJABHIFR-UHFFFAOYSA-N -2 0 394.355 3.021 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c(F)cc1F ZINC001195234620 960569423 /nfs/dbraw/zinc/56/94/23/960569423.db2.gz MXDDYBVGPVGSCW-UHFFFAOYSA-N -2 0 398.170 3.476 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c(F)cc1F ZINC001195237349 960569757 /nfs/dbraw/zinc/56/97/57/960569757.db2.gz CKIMUPKXHNRPAX-UHFFFAOYSA-N -2 0 380.328 3.119 20 0 GGADRL COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC001251963610 960639618 /nfs/dbraw/zinc/63/96/18/960639618.db2.gz DPFKEUISUOWZCZ-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cn2)c(F)cc1Cl ZINC001259212581 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Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)c1C ZINC000541306822 974411841 /nfs/dbraw/zinc/41/18/41/974411841.db2.gz RXAKDTYDRUYJLC-GFCCVEGCSA-N -2 0 391.445 3.381 20 0 GGADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000542235406 974414153 /nfs/dbraw/zinc/41/41/53/974414153.db2.gz CJWZXHBMSAPGCN-SNVBAGLBSA-N -3 0 397.836 3.417 20 0 GGADRL CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1F ZINC000542236234 974414237 /nfs/dbraw/zinc/41/42/37/974414237.db2.gz UEZWLWJHLFCTEF-UHFFFAOYSA-N -2 0 389.351 3.390 20 0 GGADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000543165140 974417361 /nfs/dbraw/zinc/41/73/61/974417361.db2.gz QZQAJTKEDWSOPN-UHFFFAOYSA-N -2 0 381.429 3.335 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000543165174 974417878 /nfs/dbraw/zinc/41/78/78/974417878.db2.gz SOROQOVRWHWSKS-NSHDSACASA-N -2 0 377.418 3.072 20 0 GGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1)C(=O)[O-] ZINC000543663469 974418932 /nfs/dbraw/zinc/41/89/32/974418932.db2.gz NXSZOTMFKVCRRC-JTQLQIEISA-N -3 0 397.836 3.102 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1OC(C)C ZINC000546885393 974431162 /nfs/dbraw/zinc/43/11/62/974431162.db2.gz KQFHNHVLAUOLTN-UHFFFAOYSA-N -2 0 383.397 3.121 20 0 GGADRL O=C([O-])c1cccc(CCNS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000547919679 974450246 /nfs/dbraw/zinc/45/02/46/974450246.db2.gz MVBYVIHRWVIFAS-UHFFFAOYSA-N -2 0 391.342 3.064 20 0 GGADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c(Cl)c1 ZINC000548535320 974465017 /nfs/dbraw/zinc/46/50/17/974465017.db2.gz QQDGFZVTVKOHCR-UHFFFAOYSA-N -2 0 397.836 3.242 20 0 GGADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000552300420 974480657 /nfs/dbraw/zinc/48/06/57/974480657.db2.gz DFHIGDWKNFDNNE-UHFFFAOYSA-N -2 0 390.442 3.223 20 0 GGADRL O=C([O-])[C@H](NS(=O)(=O)c1cc(F)c(F)cc1F)c1ccc2ccccc2c1 ZINC000556417447 974488689 /nfs/dbraw/zinc/48/86/89/974488689.db2.gz CVXVQILXHDUSOX-QGZVFWFLSA-N -2 0 395.358 3.361 20 0 GGADRL Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000556798577 974491035 /nfs/dbraw/zinc/49/10/35/974491035.db2.gz QJOGJWLBJKPHKX-UHFFFAOYSA-N -2 0 386.429 3.198 20 0 GGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C1CC1 ZINC000558587220 974495727 /nfs/dbraw/zinc/49/57/27/974495727.db2.gz YQYZVAWNNAPPRF-GFCCVEGCSA-N -2 0 377.466 3.159 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)nn1C1CCCCC1 ZINC000567006510 974625560 /nfs/dbraw/zinc/62/55/60/974625560.db2.gz WBAGRBXCKJPGKD-UHFFFAOYSA-N -2 0 381.429 3.335 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)c(C(=O)[O-])c1 ZINC000602734026 975013563 /nfs/dbraw/zinc/01/35/63/975013563.db2.gz DDZHYBNBBYYAKN-SNVBAGLBSA-N -2 0 396.490 3.007 20 0 GGADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cccc3c2OCCC3)cc1)C(=O)[O-] ZINC000650194931 975429555 /nfs/dbraw/zinc/42/95/55/975429555.db2.gz DUZAPJSZIANHSS-CYBMUJFWSA-N -2 0 375.446 3.076 20 0 GGADRL CC(C)Oc1c(NC(=O)N2CCC(CCC(=O)[O-])CC2)cccc1C(=O)[O-] ZINC001591743854 975764133 /nfs/dbraw/zinc/76/41/33/975764133.db2.gz FHTMIBWMASFHQM-UHFFFAOYSA-N -2 0 378.425 3.281 20 0 GGADRL CC(C)Oc1c(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])cccc1C(=O)[O-] ZINC001591746762 975786223 /nfs/dbraw/zinc/78/62/23/975786223.db2.gz QZLSEADXIKAEOG-UHFFFAOYSA-N -2 0 399.378 3.455 20 0 GGADRL CC(C)Oc1ccc(Br)cc1[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001591758713 975837129 /nfs/dbraw/zinc/83/71/29/975837129.db2.gz KLUYJCJLYDVHOB-UHFFFAOYSA-N -2 0 394.287 3.089 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000671663423 976011681 /nfs/dbraw/zinc/01/16/81/976011681.db2.gz JJIFNXFZOWOJRX-UHFFFAOYSA-N -2 0 390.442 3.318 20 0 GGADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC001591804366 976028375 /nfs/dbraw/zinc/02/83/75/976028375.db2.gz CTHQBHVVCSOTAC-UHFFFAOYSA-N -2 0 379.434 3.128 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cnn1CC(C)C ZINC000677417706 976030840 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LXLHTCPJSRLFRO-UHFFFAOYSA-N -2 0 379.416 3.330 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)n2)c1 ZINC001591983131 976601090 /nfs/dbraw/zinc/60/10/90/976601090.db2.gz IPNQNFDBIXPGEC-BTYIYWSLSA-N -2 0 383.448 3.028 20 0 GGADRL CC(C)c1cccc(-c2ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])o2)c1 ZINC001591983099 976601468 /nfs/dbraw/zinc/60/14/68/976601468.db2.gz HMDILCKQIWYLGD-CHWSQXEVSA-N -2 0 393.461 3.239 20 0 GGADRL CC(C)c1cccc(S(=O)(=O)[N-]c2sc3c(c2C(=O)[O-])CCOC3)c1 ZINC001591994486 976632728 /nfs/dbraw/zinc/63/27/28/976632728.db2.gz NBFPRSNXBADSOH-UHFFFAOYSA-N -2 0 381.475 3.443 20 0 GGADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)c1 ZINC000694170466 976674309 /nfs/dbraw/zinc/67/43/09/976674309.db2.gz CKZDSKOOCCOPCY-UHFFFAOYSA-N -2 0 380.603 3.195 20 0 GGADRL CC(C)c1nc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])sc1C(=O)[O-] ZINC001592030477 976736638 /nfs/dbraw/zinc/73/66/38/976736638.db2.gz PFSGHAWZPRLKRR-UHFFFAOYSA-N -2 0 390.396 3.247 20 0 GGADRL CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC001592040065 976765456 /nfs/dbraw/zinc/76/54/56/976765456.db2.gz ZJEDAQDEFMVGRW-UHFFFAOYSA-N -2 0 389.433 3.147 20 0 GGADRL CC(C)c1oncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001592108839 976897121 /nfs/dbraw/zinc/89/71/21/976897121.db2.gz XEAXHGAKHXWVAK-UHFFFAOYSA-N -2 0 378.328 3.316 20 0 GGADRL CC(C)c1sc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])nc1C(=O)[O-] ZINC001592114993 976912268 /nfs/dbraw/zinc/91/22/68/976912268.db2.gz QLIGVLONVZCVGV-UHFFFAOYSA-N -2 0 390.396 3.247 20 0 GGADRL CC(C)c1sc([N-]S(=O)(=O)c2cccc3scnc32)nc1C(=O)[O-] ZINC001592116959 976918722 /nfs/dbraw/zinc/91/87/22/976918722.db2.gz KXKBMVJBDYKKFN-UHFFFAOYSA-N -2 0 383.476 3.375 20 0 GGADRL CC(C)n1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001592149954 977021008 /nfs/dbraw/zinc/02/10/08/977021008.db2.gz RYVRDDXWPRJZFV-UHFFFAOYSA-N -2 0 381.435 3.285 20 0 GGADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCCCC1 ZINC001592259362 977499185 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YRQZQWLYNHPUCM-AWEZNQCLSA-N -2 0 381.416 3.372 20 0 GGADRL C[C@@](CCF)([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)[O-] ZINC001592507850 978329855 /nfs/dbraw/zinc/32/98/55/978329855.db2.gz OOHXRBQFCLNBCV-NSHDSACASA-N -2 0 378.636 3.128 20 0 GGADRL CN(C)C(=O)Sc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000737351389 978398789 /nfs/dbraw/zinc/39/87/89/978398789.db2.gz AXGGMRWORJUFRT-UHFFFAOYSA-N -2 0 386.476 3.021 20 0 GGADRL CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000737351927 978399098 /nfs/dbraw/zinc/39/90/98/978399098.db2.gz JONYIMXDZISILI-UHFFFAOYSA-N -2 0 386.476 3.021 20 0 GGADRL O=C([O-])CCCOC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000738581660 978568037 /nfs/dbraw/zinc/56/80/37/978568037.db2.gz XGZZZQPNRNNGOT-UHFFFAOYSA-N -2 0 397.836 3.162 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ncc(Cc3cccc(F)c3)s2)c1 ZINC000738688817 978588498 /nfs/dbraw/zinc/58/84/98/978588498.db2.gz LZSDZAQCXLXHBL-UHFFFAOYSA-N -2 0 392.433 3.372 20 0 GGADRL O=C([O-])CCSCc1cccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000739753986 978653494 /nfs/dbraw/zinc/65/34/94/978653494.db2.gz WGQVUEVVVXUAFR-UHFFFAOYSA-N -2 0 382.441 3.488 20 0 GGADRL O=C([O-])Nc1ccc(CCNC(=O)c2cccc(Br)c2[O-])cc1 ZINC000740021260 978662857 /nfs/dbraw/zinc/66/28/57/978662857.db2.gz ZOXMKWLRLWURRU-UHFFFAOYSA-N -2 0 379.210 3.217 20 0 GGADRL CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000743258239 978677734 /nfs/dbraw/zinc/67/77/34/978677734.db2.gz OLZYQURVAQJZNN-UHFFFAOYSA-N -2 0 398.437 3.098 20 0 GGADRL CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000743258229 978677785 /nfs/dbraw/zinc/67/77/85/978677785.db2.gz NWISFDDDFZZBHF-UHFFFAOYSA-N -2 0 398.437 3.098 20 0 GGADRL Cc1nccc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2)n1 ZINC000745977039 978679304 /nfs/dbraw/zinc/67/93/04/978679304.db2.gz OXDAOCFXAKJWOZ-UHFFFAOYSA-N -2 0 387.392 3.090 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)c1 ZINC000746597445 978685803 /nfs/dbraw/zinc/68/58/03/978685803.db2.gz IUQKJMMGHOSPRL-UHFFFAOYSA-N -2 0 385.323 3.070 20 0 GGADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])oc1C ZINC000751145934 978691695 /nfs/dbraw/zinc/69/16/95/978691695.db2.gz MUUSGRGHOZAUNA-UHFFFAOYSA-N -2 0 389.385 3.027 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cnn1CC(C)C ZINC000756938665 978702714 /nfs/dbraw/zinc/70/27/14/978702714.db2.gz DZMHAUMELXVEMK-UHFFFAOYSA-N -2 0 385.873 3.254 20 0 GGADRL O=C([O-])CCCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000759114488 978705203 /nfs/dbraw/zinc/70/52/03/978705203.db2.gz PDTIFRVZPFPFAO-UHFFFAOYSA-N -2 0 397.836 3.246 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)c(Cl)c1 ZINC000761287726 978708675 /nfs/dbraw/zinc/70/86/75/978708675.db2.gz AJBNBFFIDCCBBN-UHFFFAOYSA-N -2 0 377.809 3.229 20 0 GGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C1CC1 ZINC000762477171 978719959 /nfs/dbraw/zinc/71/99/59/978719959.db2.gz UTISUTOHQMJQKZ-SNVBAGLBSA-N -2 0 381.429 3.370 20 0 GGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1C1CC1 ZINC000762473167 978720032 /nfs/dbraw/zinc/72/00/32/978720032.db2.gz ALKCARUSDFLHHA-JTQLQIEISA-N -2 0 381.429 3.370 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1 ZINC000766333887 978724373 /nfs/dbraw/zinc/72/43/73/978724373.db2.gz ZTRZUTKNELPFBJ-UHFFFAOYSA-N -2 0 378.793 3.494 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)cc1O ZINC000769632195 978742385 /nfs/dbraw/zinc/74/23/85/978742385.db2.gz BKZOBWVAJREJIP-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c1 ZINC000775296887 978747635 /nfs/dbraw/zinc/74/76/35/978747635.db2.gz FBOHSHQPMCZZMS-UHFFFAOYSA-N -2 0 395.234 3.429 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)nn1-c1ccc(C)cc1 ZINC000775675795 978747717 /nfs/dbraw/zinc/74/77/17/978747717.db2.gz CUPZLELPMHNWQV-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)nn1-c1ccc(C)cc1 ZINC000775675742 978747803 /nfs/dbraw/zinc/74/78/03/978747803.db2.gz AXHVXCSSUWDQOX-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000776505336 978750862 /nfs/dbraw/zinc/75/08/62/978750862.db2.gz YZPACARUYZCCIA-UHFFFAOYSA-N -2 0 397.836 3.242 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1 ZINC000776748840 978775022 /nfs/dbraw/zinc/77/50/22/978775022.db2.gz KWVRMWNUQPEGNX-UHFFFAOYSA-N -2 0 378.793 3.494 20 0 GGADRL COC(=O)c1ccc2ccccc2c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000776741979 978775196 /nfs/dbraw/zinc/77/51/96/978775196.db2.gz PCJBHRXGACKTMI-UHFFFAOYSA-N -2 0 391.426 3.187 20 0 GGADRL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000777932685 978781872 /nfs/dbraw/zinc/78/18/72/978781872.db2.gz LZQNAPCDGIYYGL-UHFFFAOYSA-N -2 0 391.232 3.043 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nn1[C@H](C)C1CC1 ZINC000783850351 978793851 /nfs/dbraw/zinc/79/38/51/978793851.db2.gz QXOBWTDPVBHRNJ-SNVBAGLBSA-N -2 0 383.857 3.315 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)nn1[C@@H](C)C1CC1 ZINC000783848790 978794029 /nfs/dbraw/zinc/79/40/29/978794029.db2.gz IPNZTUTXAAGFSQ-NSHDSACASA-N -2 0 381.429 3.109 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000783850309 978794044 /nfs/dbraw/zinc/79/40/44/978794044.db2.gz QSHHXQWCXIVUTC-JTQLQIEISA-N -2 0 383.857 3.315 20 0 GGADRL CC(=O)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000783875703 978794797 /nfs/dbraw/zinc/79/47/97/978794797.db2.gz NMVGIHLBLUCBBN-UHFFFAOYSA-N -2 0 398.234 3.151 20 0 GGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1C ZINC000790417484 978799073 /nfs/dbraw/zinc/79/90/73/978799073.db2.gz LACIOQIKZFVIPK-MRVPVSSYSA-N -2 0 389.836 3.454 20 0 GGADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000793394063 978806367 /nfs/dbraw/zinc/80/63/67/978806367.db2.gz JBMYCXXWGYEWPG-UHFFFAOYSA-N -2 0 393.314 3.358 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)nn1[C@H](C)C1CC1 ZINC000793407963 978808589 /nfs/dbraw/zinc/80/85/89/978808589.db2.gz ISMGHZGQJILASQ-LLVKDONJSA-N -2 0 381.429 3.109 20 0 GGADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C1CC1 ZINC000793444680 978810219 /nfs/dbraw/zinc/81/02/19/978810219.db2.gz UGNWGBSBDHZNDN-UHFFFAOYSA-N -2 0 395.456 3.363 20 0 GGADRL CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c(F)cc1C ZINC000794758201 978819265 /nfs/dbraw/zinc/81/92/65/978819265.db2.gz YFRGLZAEFPAACA-UHFFFAOYSA-N -2 0 395.408 3.118 20 0 GGADRL COc1ccc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)ccc2c1 ZINC000795367725 978831922 /nfs/dbraw/zinc/83/19/22/978831922.db2.gz GLIKCBUZLPPZFS-UHFFFAOYSA-N -2 0 375.377 3.487 20 0 GGADRL CC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1F ZINC000795365803 978832149 /nfs/dbraw/zinc/83/21/49/978832149.db2.gz DZTFLIFNRHEJOX-UHFFFAOYSA-N -2 0 389.763 3.320 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c1 ZINC000795388263 978833117 /nfs/dbraw/zinc/83/31/17/978833117.db2.gz MRQFXZYETGIPRU-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1C ZINC000797817636 978834116 /nfs/dbraw/zinc/83/41/16/978834116.db2.gz DVXSPGYOKSXMMD-UHFFFAOYSA-N -2 0 398.824 3.326 20 0 GGADRL Cc1ccc(-c2ccnn2C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000799127806 978836611 /nfs/dbraw/zinc/83/66/11/978836611.db2.gz RJKVZBYHENUQGC-UHFFFAOYSA-N -2 0 389.408 3.034 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)c(OC)c1 ZINC000799928024 978846047 /nfs/dbraw/zinc/84/60/47/978846047.db2.gz NZJMWNHNESIXIL-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800832973 978847300 /nfs/dbraw/zinc/84/73/00/978847300.db2.gz QTGUORMRGJFMBR-UHFFFAOYSA-N -2 0 379.821 3.276 20 0 GGADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000806636658 978851038 /nfs/dbraw/zinc/85/10/38/978851038.db2.gz SLGIUNGTDDTBCU-UHFFFAOYSA-N -2 0 384.841 3.330 20 0 GGADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C1CC1 ZINC000808119047 978852197 /nfs/dbraw/zinc/85/21/97/978852197.db2.gz CTPORJBQSXPDAI-UHFFFAOYSA-N -2 0 381.429 3.055 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)c1F ZINC000830009310 979011042 /nfs/dbraw/zinc/01/10/42/979011042.db2.gz XPFDYUCLJKVWHC-CYBMUJFWSA-N -2 0 379.409 3.137 20 0 GGADRL Cc1ccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[nH]c2=O)cc1C(=O)[O-] ZINC000832942556 979058563 /nfs/dbraw/zinc/05/85/63/979058563.db2.gz JQOXNFDDBPDPQX-UHFFFAOYSA-N -2 0 392.415 3.131 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCC4)nc3c2)cs1 ZINC000833305993 979146963 /nfs/dbraw/zinc/14/69/63/979146963.db2.gz AXJMLVGMAZBUPZ-UHFFFAOYSA-N -2 0 377.447 3.391 20 0 GGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)c1C1CC1 ZINC001595029059 979155519 /nfs/dbraw/zinc/15/55/19/979155519.db2.gz TXYUFUNUMTYSLW-VIFPVBQESA-N -2 0 399.494 3.301 20 0 GGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])c1C ZINC001595029426 979157281 /nfs/dbraw/zinc/15/72/81/979157281.db2.gz XHTHBVFUEMSLSL-NSHDSACASA-N -2 0 388.449 3.210 20 0 GGADRL CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000833478183 979191454 /nfs/dbraw/zinc/19/14/54/979191454.db2.gz CLGQLCNULJMPGF-JTQLQIEISA-N -2 0 379.638 3.429 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)c1 ZINC000834914244 979242434 /nfs/dbraw/zinc/24/24/34/979242434.db2.gz BSAICHFEQMQBSB-UHFFFAOYSA-N -2 0 393.314 3.266 20 0 GGADRL CCC(CC)(C(=O)[O-])C(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001595047954 979262304 /nfs/dbraw/zinc/26/23/04/979262304.db2.gz QJRWNOJIDGKRIT-UHFFFAOYSA-N -2 0 376.434 3.262 20 0 GGADRL C[C@H](Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1)C(=O)[O-] ZINC001592876570 979740292 /nfs/dbraw/zinc/74/02/92/979740292.db2.gz ASMMTDDOLJVAGC-GFCCVEGCSA-N -2 0 383.379 3.233 20 0 GGADRL C[C@H](Cc1ccccc1F)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001592896694 979798118 /nfs/dbraw/zinc/79/81/18/979798118.db2.gz RTZCRZHLFCXFDY-SECBINFHSA-N -2 0 389.807 3.226 20 0 GGADRL O=C([O-])CCCCC[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC000864428568 979933050 /nfs/dbraw/zinc/93/30/50/979933050.db2.gz HGGDJMDFNQUNJR-UHFFFAOYSA-N -2 0 390.255 3.119 20 0 GGADRL CC[C@H](Cc1ccc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1)C(=O)[O-] ZINC001595211264 979989601 /nfs/dbraw/zinc/98/96/01/979989601.db2.gz FWESMQAGEYCVJB-CQSZACIVSA-N -2 0 391.445 3.147 20 0 GGADRL CC[C@@H](Cc1ccc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1)C(=O)[O-] ZINC001595211263 979989925 /nfs/dbraw/zinc/98/99/25/979989925.db2.gz FWESMQAGEYCVJB-AWEZNQCLSA-N -2 0 391.445 3.147 20 0 GGADRL CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001595363720 980785517 /nfs/dbraw/zinc/78/55/17/980785517.db2.gz JSOGYOSARZAQAL-VNCLNFNDSA-N -2 0 379.478 3.009 20 0 GGADRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(SCCC(=O)[O-])c2)C1 ZINC001595367821 980819619 /nfs/dbraw/zinc/81/96/19/980819619.db2.gz DKUIRKDZVRXQJD-GOSISDBHSA-N -2 0 380.466 3.362 20 0 GGADRL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])cc2O1 ZINC001595372260 980860039 /nfs/dbraw/zinc/86/00/39/980860039.db2.gz BZCIRORGUJTNMY-KRWDZBQOSA-N -2 0 381.406 3.293 20 0 GGADRL CCC1CCC([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)(C(=O)[O-])CC1 ZINC001595431233 981051841 /nfs/dbraw/zinc/05/18/41/981051841.db2.gz NKBNUPMVUUBKQR-UHFFFAOYSA-N -2 0 381.828 3.320 20 0 GGADRL CC[C@H]1CCc2nc([N-]S(=O)(=O)Cc3cccc(C(=O)[O-])c3)sc2C1 ZINC001595473693 981184242 /nfs/dbraw/zinc/18/42/42/981184242.db2.gz ZQSLNBVEUFPATR-NSHDSACASA-N -2 0 380.491 3.298 20 0 GGADRL CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)c2C1 ZINC001595581106 981522247 /nfs/dbraw/zinc/52/22/47/981522247.db2.gz SBDLUZPJZGKIBB-ZDUSSCGKSA-N -2 0 389.477 3.085 20 0 GGADRL CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595587329 981541349 /nfs/dbraw/zinc/54/13/49/981541349.db2.gz IZUWSRDYRIFKOZ-MRXNPFEDSA-N -2 0 381.494 3.327 20 0 GGADRL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001595631770 981843426 /nfs/dbraw/zinc/84/34/26/981843426.db2.gz CATQJDSYJXISHR-LLVKDONJSA-N -2 0 375.874 3.450 20 0 GGADRL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C(=O)[O-])c2)cc1 ZINC001594815896 981947792 /nfs/dbraw/zinc/94/77/92/981947792.db2.gz UFBWIYJFWUEQIQ-UHFFFAOYSA-N -2 0 379.482 3.191 20 0 GGADRL CCCC[C@@H](OC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)C(=O)[O-] ZINC001595644098 981975304 /nfs/dbraw/zinc/97/53/04/981975304.db2.gz AYCMTSZOPBPEAW-CQSZACIVSA-N -2 0 397.474 3.349 20 0 GGADRL CC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(F)(F)F ZINC001594853429 982112067 /nfs/dbraw/zinc/11/20/67/982112067.db2.gz VYHVPUOXZYCZSY-LLVKDONJSA-N -2 0 377.743 3.187 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001595748367 982418336 /nfs/dbraw/zinc/41/83/36/982418336.db2.gz YEUNRYOMFOIQMA-UHFFFAOYSA-N -2 0 395.408 3.218 20 0 GGADRL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001594922039 982473929 /nfs/dbraw/zinc/47/39/29/982473929.db2.gz WFDJOLKXWMSEEV-KSBSHMNSSA-N -2 0 391.770 3.433 20 0 GGADRL CCCCOc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cn1 ZINC001595780480 982548732 /nfs/dbraw/zinc/54/87/32/982548732.db2.gz CAOXQGGWBUGSHD-UHFFFAOYSA-N -2 0 384.841 3.413 20 0 GGADRL CCCCc1nnc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC001595798734 982611392 /nfs/dbraw/zinc/61/13/92/982611392.db2.gz FYYCEMMCMTUHCS-UHFFFAOYSA-N -2 0 383.495 3.044 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c1 ZINC000921019898 982696466 /nfs/dbraw/zinc/69/64/66/982696466.db2.gz DDVXWTCQHYKKQS-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001595890728 982921242 /nfs/dbraw/zinc/92/12/42/982921242.db2.gz AUNKKUOARNZVOB-NWDGAFQWSA-N -2 0 377.466 3.027 20 0 GGADRL CCCc1c(C(=O)Nc2nccc(Br)c2[O-])[nH]c(C)c1C(=O)[O-] ZINC001596046758 983339489 /nfs/dbraw/zinc/33/94/89/983339489.db2.gz GULWNFPKPWUEIP-UHFFFAOYSA-N -2 0 382.214 3.089 20 0 GGADRL CCCc1ccccc1[N-]S(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)[O-] ZINC001596070698 983387447 /nfs/dbraw/zinc/38/74/47/983387447.db2.gz VEZATVBKFDKASY-UHFFFAOYSA-N -2 0 397.474 3.295 20 0 GGADRL C/C(=C/C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001588942327 984634974 /nfs/dbraw/zinc/63/49/74/984634974.db2.gz HMVRCZKRSXLDRT-WQLSENKSSA-N -2 0 393.848 3.088 20 0 GGADRL C/C(=C\C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC001588942328 984635050 /nfs/dbraw/zinc/63/50/50/984635050.db2.gz HMVRCZKRSXLDRT-XYOKQWHBSA-N -2 0 393.848 3.088 20 0 GGADRL C/C(=C/C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)C(C)(C)C ZINC001588942584 984637155 /nfs/dbraw/zinc/63/71/55/984637155.db2.gz MONPMLHRIASTMN-CLFYSBASSA-N -2 0 393.383 3.201 20 0 GGADRL CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC001596706942 984912468 /nfs/dbraw/zinc/91/24/68/984912468.db2.gz SIDIUHRCPHUVNG-UHFFFAOYSA-N -2 0 389.838 3.077 20 0 GGADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])cc1C ZINC001596761498 985154099 /nfs/dbraw/zinc/15/40/99/985154099.db2.gz WBZXLGLVIGJHLH-UHFFFAOYSA-N -2 0 389.476 3.102 20 0 GGADRL C[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C[C@@H](C(=O)[O-])O1 ZINC001599923413 985168806 /nfs/dbraw/zinc/16/88/06/985168806.db2.gz DHUVUFHHAHWIIH-ZBEGNZNMSA-N -2 0 375.808 3.027 20 0 GGADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1ccc(Cl)s1 ZINC001599947133 985547448 /nfs/dbraw/zinc/54/74/48/985547448.db2.gz AQDCKQBHVKJNGK-SECBINFHSA-N -2 0 389.882 3.231 20 0 GGADRL Cc1[nH]c(C([O-])=CS(=O)(=O)Cc2ccc(C(C)(C)C)cc2)c(C)c1C(=O)[O-] ZINC001599947168 985547951 /nfs/dbraw/zinc/54/79/51/985547951.db2.gz CTCDOSXMVYKLEJ-UHFFFAOYSA-N -2 0 391.489 3.425 20 0 GGADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)C[C@H](C)c1ccccc1 ZINC001599948760 985573402 /nfs/dbraw/zinc/57/34/02/985573402.db2.gz RVOBXFCMEONLSV-SMDDNHRTSA-N -2 0 377.462 3.119 20 0 GGADRL CCOCCOCc1cccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])c1 ZINC001596937588 986052726 /nfs/dbraw/zinc/05/27/26/986052726.db2.gz GUFHZBWBJSIAHH-UHFFFAOYSA-N -2 0 399.490 3.109 20 0 GGADRL Cc1c2ccc(F)cc2sc1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001599981548 986169454 /nfs/dbraw/zinc/16/94/54/986169454.db2.gz ACXICXMKQSCXIZ-UHFFFAOYSA-N -2 0 399.446 3.227 20 0 GGADRL CCOCc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)cc1 ZINC001596965579 986172278 /nfs/dbraw/zinc/17/22/78/986172278.db2.gz LAFOAPQTNFOHAV-UHFFFAOYSA-N -2 0 399.852 3.384 20 0 GGADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)C1CCCC1 ZINC001589424064 986687414 /nfs/dbraw/zinc/68/74/14/986687414.db2.gz RHMMDDREBKTHRU-SECBINFHSA-N -2 0 393.383 3.035 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c2ncccc12 ZINC001597125716 986831940 /nfs/dbraw/zinc/83/19/40/986831940.db2.gz CCMNFGBKXLTNIB-UHFFFAOYSA-N -2 0 390.392 3.272 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2sc(C)cc2C(=O)[O-])cc1OCC ZINC001597137209 986874692 /nfs/dbraw/zinc/87/46/92/986874692.db2.gz CUNSZAJIBWGWAT-UHFFFAOYSA-N -2 0 385.463 3.353 20 0 GGADRL CCOc1ccc2nc([N-]S(=O)(=O)c3cccc(CC(=O)[O-])c3)sc2c1 ZINC001597143853 986902064 /nfs/dbraw/zinc/90/20/64/986902064.db2.gz LXCXKIMXHZNYDL-UHFFFAOYSA-N -2 0 392.458 3.123 20 0 GGADRL C[C@H](C(=O)[O-])[C@H](NC(=O)c1cccc(Br)c1[O-])c1ccccc1 ZINC001589462752 986919882 /nfs/dbraw/zinc/91/98/82/986919882.db2.gz SNZSENTUZWMKEF-HZMBPMFUSA-N -2 0 378.222 3.347 20 0 GGADRL CCOc1cccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)c(C(=O)[O-])s2)c1 ZINC001597163210 986971971 /nfs/dbraw/zinc/97/19/71/986971971.db2.gz BXAYXPCBWIMIOK-UHFFFAOYSA-N -2 0 384.479 3.338 20 0 GGADRL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)c1 ZINC001594716923 987190692 /nfs/dbraw/zinc/19/06/92/987190692.db2.gz HYUSYGFHGGWYSR-UHFFFAOYSA-N -2 0 397.836 3.197 20 0 GGADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)cc1 ZINC001589638660 987561519 /nfs/dbraw/zinc/56/15/19/987561519.db2.gz ROXCFIMLYJTJRD-UHFFFAOYSA-N -2 0 398.337 3.073 20 0 GGADRL CC(C)(C)C(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001589700557 987792992 /nfs/dbraw/zinc/79/29/92/987792992.db2.gz ZMTQGNLKUKGPAP-UHFFFAOYSA-N -2 0 395.399 3.281 20 0 GGADRL CC(C)(C)C[C@H](CC(=O)[O-])NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001589742690 988019014 /nfs/dbraw/zinc/01/90/14/988019014.db2.gz VVKPPQMNVCOUHP-JTQLQIEISA-N -2 0 399.490 3.157 20 0 GGADRL CC(C)(C)C[C@@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])C(=O)[O-] ZINC001589752432 988063100 /nfs/dbraw/zinc/06/31/00/988063100.db2.gz VHAJKUBWSUQAKR-LLVKDONJSA-N -2 0 399.369 3.216 20 0 GGADRL CSc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1F ZINC001599806014 988257169 /nfs/dbraw/zinc/25/71/69/988257169.db2.gz HYHMHMRNZRPQBM-UHFFFAOYSA-N -2 0 395.355 3.464 20 0 GGADRL CCc1ccc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3OC)sc2c1 ZINC001597570574 988346114 /nfs/dbraw/zinc/34/61/14/988346114.db2.gz QGESHIOOFATKPL-UHFFFAOYSA-N -2 0 392.458 3.366 20 0 GGADRL CCc1ccc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(OC)c3)sc2c1 ZINC001597570681 988349174 /nfs/dbraw/zinc/34/91/74/988349174.db2.gz XZZGVRZESLWHAO-UHFFFAOYSA-N -2 0 392.458 3.366 20 0 GGADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC001597580882 988383652 /nfs/dbraw/zinc/38/36/52/988383652.db2.gz HIRDWBJOOBQSJV-UHFFFAOYSA-N -2 0 379.434 3.074 20 0 GGADRL CCc1ccccc1-n1cc([O-])c(C(=O)Nc2cccc(C(=O)[O-])c2OC)n1 ZINC001597604596 988482634 /nfs/dbraw/zinc/48/26/34/988482634.db2.gz QRAQDMMZVOWEKK-UHFFFAOYSA-N -2 0 381.388 3.099 20 0 GGADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)n1 ZINC001597604834 988482904 /nfs/dbraw/zinc/48/29/04/988482904.db2.gz RYGKRYZTJHXPBL-LJQANCHMSA-N -2 0 393.443 3.313 20 0 GGADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)n1 ZINC001597604833 988482941 /nfs/dbraw/zinc/48/29/41/988482941.db2.gz RYGKRYZTJHXPBL-IBGZPJMESA-N -2 0 393.443 3.313 20 0 GGADRL CSc1nc2ccc(NS(=O)(=O)c3cccc(CC(=O)[O-])c3)cc2s1 ZINC001599827240 988615721 /nfs/dbraw/zinc/61/57/21/988615721.db2.gz BIFKYBUVSFHPEC-UHFFFAOYSA-N -2 0 394.499 3.446 20 0 GGADRL C[C@@H](CC(=O)[O-])NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001599834330 988719171 /nfs/dbraw/zinc/71/91/71/988719171.db2.gz MYYMMPPZDWBSFC-LURJTMIESA-N -2 0 392.626 3.131 20 0 GGADRL CCc1nc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)sc1C(=O)[O-] ZINC001597685418 988834413 /nfs/dbraw/zinc/83/44/13/988834413.db2.gz OXYGQRZKGNSHBE-UHFFFAOYSA-N -2 0 376.406 3.283 20 0 GGADRL CCc1nc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)sc1C(=O)[O-] ZINC001597685413 988834510 /nfs/dbraw/zinc/83/45/10/988834510.db2.gz OUGKRADFSFHQLX-UHFFFAOYSA-N -2 0 384.479 3.300 20 0 GGADRL CCc1nc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2Cl)cn1CC1CC1 ZINC001597689978 988863518 /nfs/dbraw/zinc/86/35/18/988863518.db2.gz PNTFGXOMNGAZDY-UHFFFAOYSA-N -2 0 383.857 3.008 20 0 GGADRL CCc1ncsc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001597711831 988972289 /nfs/dbraw/zinc/97/22/89/988972289.db2.gz FJFIPXKBUKJOBO-UHFFFAOYSA-N -2 0 380.369 3.223 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1C ZINC001597785179 989301008 /nfs/dbraw/zinc/30/10/08/989301008.db2.gz BFEARNIWGSNBTI-UHFFFAOYSA-N -2 0 388.239 3.412 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2cnc(C)o2)cc1 ZINC001597785977 989307698 /nfs/dbraw/zinc/30/76/98/989307698.db2.gz WZMDPUAXBZJWDH-UHFFFAOYSA-N -2 0 376.390 3.304 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(CC)CC)c1CC ZINC001597790379 989311079 /nfs/dbraw/zinc/31/10/79/989311079.db2.gz AILDGVVBQCMZHH-UHFFFAOYSA-N -2 0 383.470 3.461 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]c(C3CCC3)nc2c1 ZINC001597790753 989315579 /nfs/dbraw/zinc/31/55/79/989315579.db2.gz IAXPYZQLMLEKFD-UHFFFAOYSA-N -2 0 389.433 3.485 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1 ZINC001597791693 989325476 /nfs/dbraw/zinc/32/54/76/989325476.db2.gz QMPNSOCESYLNTE-UHFFFAOYSA-N -2 0 378.450 3.331 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2c(-c3ccc(C)cc3)csc2C(=O)[O-])cn1 ZINC001597898114 989764694 /nfs/dbraw/zinc/76/46/94/989764694.db2.gz GYLBZZSPHWYECL-UHFFFAOYSA-N -2 0 391.474 3.439 20 0 GGADRL CC(C)(C)c1cc2cccnc2c([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001590461693 990030368 /nfs/dbraw/zinc/03/03/68/990030368.db2.gz HMYFEUZXCTYJON-UHFFFAOYSA-N -2 0 385.445 3.426 20 0 GGADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)on1 ZINC001590461802 990031912 /nfs/dbraw/zinc/03/19/12/990031912.db2.gz KJRFNENNFOOONG-UHFFFAOYSA-N -2 0 392.355 3.490 20 0 GGADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])on1 ZINC001590462543 990034798 /nfs/dbraw/zinc/03/47/98/990034798.db2.gz XBSJDFFOILCWDO-UHFFFAOYSA-N -2 0 392.355 3.490 20 0 GGADRL CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc3oc(=O)nc-3[n-]2)cc1 ZINC001590479830 990056984 /nfs/dbraw/zinc/05/69/84/990056984.db2.gz HYVKMCJBKLPKIW-CQSZACIVSA-N -2 0 383.404 3.172 20 0 GGADRL CC(C)(C)c1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC001590515806 990130902 /nfs/dbraw/zinc/13/09/02/990130902.db2.gz JCOOPRBPJDDXEU-UHFFFAOYSA-N -2 0 376.406 3.218 20 0 GGADRL COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001599691759 991081428 /nfs/dbraw/zinc/08/14/28/991081428.db2.gz JVLPBJDISOETBF-UHFFFAOYSA-N -2 0 384.413 3.256 20 0 GGADRL COc1ccccc1-c1cccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001599691770 991081478 /nfs/dbraw/zinc/08/14/78/991081478.db2.gz KNPUUPHINKCHOJ-UHFFFAOYSA-N -2 0 384.413 3.256 20 0 GGADRL CC(C)[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3scnc3C(=O)[O-])c2C1 ZINC001590974226 991106312 /nfs/dbraw/zinc/10/63/12/991106312.db2.gz BOAZZAZWRZSOEB-NSHDSACASA-N -2 0 395.506 3.002 20 0 GGADRL COc1ccccc1C[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[O-])C(=O)[O-] ZINC001599708597 991332004 /nfs/dbraw/zinc/33/20/04/991332004.db2.gz BSENZECPXFHJFX-LLVKDONJSA-N -2 0 398.242 3.381 20 0 GGADRL COc1ccsc1S(=O)(=O)[N-]c1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001599722601 991565951 /nfs/dbraw/zinc/56/59/51/991565951.db2.gz RQIPGSIRROVFBA-UHFFFAOYSA-N -2 0 388.492 3.370 20 0 GGADRL CC(C)C[C@@H](C(=O)[O-])[S@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001591123099 991802846 /nfs/dbraw/zinc/80/28/46/991802846.db2.gz MBWVXTXVBSVVKS-HWRSSNJWSA-N -2 0 381.475 3.256 20 0 GGADRL CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001591133196 991833261 /nfs/dbraw/zinc/83/32/61/991833261.db2.gz GVSCJPIEUPNQSH-SNVBAGLBSA-N -2 0 395.399 3.281 20 0 GGADRL CC(C)CCc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)n[nH]1 ZINC001591266532 992180553 /nfs/dbraw/zinc/18/05/53/992180553.db2.gz JNFKLPYQGREVJT-UHFFFAOYSA-N -2 0 379.482 3.161 20 0 GGADRL CC(C)CCn1nccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001591275996 992196789 /nfs/dbraw/zinc/19/67/89/992196789.db2.gz AXBQBHWQFPGDJF-UHFFFAOYSA-N -2 0 379.482 3.092 20 0 GGADRL CC(C)COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])cn1 ZINC001591401463 992472889 /nfs/dbraw/zinc/47/28/89/992472889.db2.gz PEZBTUAXFXOZGL-UHFFFAOYSA-N -2 0 384.841 3.269 20 0 GGADRL CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC001591410409 992488037 /nfs/dbraw/zinc/48/80/37/992488037.db2.gz YPAGMKQFIAOVFM-UHFFFAOYSA-N -2 0 393.461 3.376 20 0 GGADRL CC(C)Cc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC001591488965 992617960 /nfs/dbraw/zinc/61/79/60/992617960.db2.gz LNBMAEZBEAODQG-LBPRGKRZSA-N -2 0 395.502 3.253 20 0 GGADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C1CC1 ZINC001591533215 992709085 /nfs/dbraw/zinc/70/90/85/992709085.db2.gz DBHGHEJQWZPIKV-UHFFFAOYSA-N -2 0 381.429 3.055 20 0 GGADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001598537804 992861366 /nfs/dbraw/zinc/86/13/66/992861366.db2.gz ORSAWXFPEPDVEZ-UHFFFAOYSA-N -2 0 397.416 3.240 20 0 GGADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001599582565 993571667 /nfs/dbraw/zinc/57/16/67/993571667.db2.gz CLNZFSMMOHDSEQ-UHFFFAOYSA-N -2 0 379.818 3.357 20 0 GGADRL COc1ccc(NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])c(C(=O)[O-])c1 ZINC001599593688 993721585 /nfs/dbraw/zinc/72/15/85/993721585.db2.gz JSKHJXUEVDJKGQ-UHFFFAOYSA-N -2 0 381.340 3.424 20 0 GGADRL C[C@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])c1ncc(C(=O)[O-])s1 ZINC001593155895 993971176 /nfs/dbraw/zinc/97/11/76/993971176.db2.gz FTLUNWGEPZFMCK-VIFPVBQESA-N -2 0 386.385 3.110 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c(OC)c1C(=O)[O-] ZINC001599617603 994037471 /nfs/dbraw/zinc/03/74/71/994037471.db2.gz BHXMGDQGPRCMGQ-UHFFFAOYSA-N -2 0 387.360 3.140 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C(C)C)s2)c(C)c1F ZINC001599617921 994042084 /nfs/dbraw/zinc/04/20/84/994042084.db2.gz MTMMKHLIDOAKAH-UHFFFAOYSA-N -2 0 388.442 3.222 20 0 GGADRL C[C@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593175254 994043553 /nfs/dbraw/zinc/04/35/53/994043553.db2.gz JVKIXUURXXOMIZ-FZMZJTMJSA-N -2 0 381.350 3.473 20 0 GGADRL C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593175255 994043616 /nfs/dbraw/zinc/04/36/16/994043616.db2.gz JVKIXUURXXOMIZ-RISCZKNCSA-N -2 0 381.350 3.473 20 0 GGADRL C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593175253 994043704 /nfs/dbraw/zinc/04/37/04/994043704.db2.gz JVKIXUURXXOMIZ-BXUZGUMPSA-N -2 0 381.350 3.473 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3(C)C)cc1C(=O)[O-] ZINC001599618086 994045013 /nfs/dbraw/zinc/04/50/13/994045013.db2.gz ZEYFWZQTKMDYAB-UHFFFAOYSA-N -2 0 396.490 3.265 20 0 GGADRL COc1ccc2c(c1[N-]S(=O)(=O)c1cccc3c1ccnc3C(=O)[O-])CCC2 ZINC001599633475 994252326 /nfs/dbraw/zinc/25/23/26/994252326.db2.gz CERRGEXDZHQZPB-UHFFFAOYSA-N -2 0 398.440 3.231 20 0 GGADRL C[C@@H](Oc1cccnc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001593655142 996018561 /nfs/dbraw/zinc/01/85/61/996018561.db2.gz ASDYKHIMWORAHT-CYBMUJFWSA-N -2 0 399.428 3.116 20 0 GGADRL C[C@H](Sc1ccccc1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC001593669171 996069606 /nfs/dbraw/zinc/06/96/06/996069606.db2.gz PXIPGMIMDNJHEC-LRDDRELGSA-N -2 0 385.441 3.076 20 0 GGADRL C[C@@H](Sc1ccccc1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C(=O)[O-] ZINC001593672150 996073546 /nfs/dbraw/zinc/07/35/46/996073546.db2.gz IIHWWBVCUOFOGV-GFCCVEGCSA-N -2 0 383.429 3.395 20 0 GGADRL COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2sc(C)c(C)c2C(=O)[O-])cc1 ZINC001598835022 996475835 /nfs/dbraw/zinc/47/58/35/996475835.db2.gz UBGRISCOSGVLNE-TWGQIWQCSA-N -2 0 395.458 3.050 20 0 GGADRL CC1(C)CCC[C@@](NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])(C(=O)[O-])C1 ZINC001593896252 996751896 /nfs/dbraw/zinc/75/18/96/996751896.db2.gz SUHKPTYRQMLUHC-IBGZPJMESA-N -2 0 391.855 3.385 20 0 GGADRL CC1(C)CCC[C@](NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])(C(=O)[O-])C1 ZINC001593896253 996752085 /nfs/dbraw/zinc/75/20/85/996752085.db2.gz SUHKPTYRQMLUHC-LJQANCHMSA-N -2 0 391.855 3.385 20 0 GGADRL CC1(C)CCC[C@](NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])(C(=O)[O-])C1 ZINC001593896400 996753874 /nfs/dbraw/zinc/75/38/74/996753874.db2.gz WMNDFTWPMJOVBN-LJQANCHMSA-N -2 0 393.390 3.010 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(CCSC)cc1 ZINC001599383726 996905914 /nfs/dbraw/zinc/90/59/14/996905914.db2.gz IQYIQCNXLBZUPH-UHFFFAOYSA-N -2 0 381.475 3.100 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(Cl)cccc2n1 ZINC001599384166 996913595 /nfs/dbraw/zinc/91/35/95/996913595.db2.gz UBYWIAPYHNWUHO-UHFFFAOYSA-N -2 0 392.820 3.396 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC001599387300 996968974 /nfs/dbraw/zinc/96/89/74/996968974.db2.gz HAOWXHLABZDMIM-UHFFFAOYSA-N -2 0 388.442 3.215 20 0 GGADRL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1F ZINC001599392808 997070162 /nfs/dbraw/zinc/07/01/62/997070162.db2.gz IKFWCMNAXXEZRI-UHFFFAOYSA-N -2 0 391.779 3.434 20 0 GGADRL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC)cc1Cl ZINC001599392998 997071812 /nfs/dbraw/zinc/07/18/12/997071812.db2.gz BWTPDUXQXKCAAH-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL COCc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)sc(C)c2C(=O)[O-])c1 ZINC001599295190 997128152 /nfs/dbraw/zinc/12/81/52/997128152.db2.gz KSGLJPZDZDWIFP-UHFFFAOYSA-N -2 0 385.463 3.019 20 0 GGADRL CC1(C)Cc2cccc([N-]S(=O)(=O)C[C@H](C(=O)[O-])c3ccccc3)c2O1 ZINC001593969243 997130561 /nfs/dbraw/zinc/13/05/61/997130561.db2.gz GCDAMOOWYIWLAT-HNNXBMFYSA-N -2 0 375.446 3.010 20 0 GGADRL COc1cc(/C=C\c2cc(C(=O)[O-])ncn2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599401156 997217194 /nfs/dbraw/zinc/21/71/94/997217194.db2.gz YUOQUGJGLYFRBG-RQOWECAXSA-N -2 0 396.355 3.224 20 0 GGADRL COc1cc(CNC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])ccc1C(=O)[O-] ZINC001599414062 997473857 /nfs/dbraw/zinc/47/38/57/997473857.db2.gz CLAZGUWWSQITLX-UHFFFAOYSA-N -2 0 395.367 3.102 20 0 GGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC001599418365 997550438 /nfs/dbraw/zinc/55/04/38/997550438.db2.gz GGSKLYUEPGTDES-CYBMUJFWSA-N -2 0 383.853 3.267 20 0 GGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)cc1OC ZINC001599419591 997570927 /nfs/dbraw/zinc/57/09/27/997570927.db2.gz DBCJWSQFFBHHBQ-UHFFFAOYSA-N -2 0 391.854 3.226 20 0 GGADRL COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1sc(C)c(C)c1C(=O)[O-] ZINC001599425634 997669924 /nfs/dbraw/zinc/66/99/24/997669924.db2.gz HKIVAFGNQLSFKX-UHFFFAOYSA-N -2 0 377.390 3.151 20 0 GGADRL COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)C(F)(F)F)cc1 ZINC001599532737 997687675 /nfs/dbraw/zinc/68/76/75/997687675.db2.gz WCBLXYODQVUCEX-GFCCVEGCSA-N -2 0 395.380 3.037 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC001599329661 997725545 /nfs/dbraw/zinc/72/55/45/997725545.db2.gz ATNOSBWMTBQBCR-UHFFFAOYSA-N -2 0 394.836 3.339 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc(C2CC2)n1 ZINC001599329849 997729054 /nfs/dbraw/zinc/72/90/54/997729054.db2.gz HIWYFITXCJLOTN-UHFFFAOYSA-N -2 0 382.825 3.120 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC001599329941 997730350 /nfs/dbraw/zinc/73/03/50/997730350.db2.gz KLTYWZGXWXSRPV-UHFFFAOYSA-N -2 0 392.820 3.396 20 0 GGADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1nc(C(=O)[O-])c(C2CC2)s1 ZINC001599331861 997762551 /nfs/dbraw/zinc/76/25/51/997762551.db2.gz VPBXUJBVUNZRNF-UHFFFAOYSA-N -2 0 382.463 3.145 20 0 GGADRL CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)cccc21 ZINC001599128084 997889079 /nfs/dbraw/zinc/88/90/79/997889079.db2.gz QKGYINVASYURJH-OAHLLOKOSA-N -2 0 397.836 3.309 20 0 GGADRL CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(Cl)cc3C(=O)[O-])cccc21 ZINC001599128109 997889818 /nfs/dbraw/zinc/88/98/18/997889818.db2.gz QZIUFEPXBQWDHG-CQSZACIVSA-N -2 0 397.836 3.309 20 0 GGADRL CC1(c2cc([N-]S(=O)(=O)c3ccc(/C=C\C(=O)[O-])cc3)no2)CCCC1 ZINC001594069810 997904337 /nfs/dbraw/zinc/90/43/37/997904337.db2.gz ORYSDELTUOHLJF-TWGQIWQCSA-N -2 0 376.434 3.405 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2c(F)cccc2F)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC001594095163 998062084 /nfs/dbraw/zinc/06/20/84/998062084.db2.gz AOAHHVQDIMBJSW-MRXNPFEDSA-N -2 0 388.326 3.293 20 0 GGADRL Cc1ccc(N2C(=O)N[C@@H](c3ccc(C(=O)[O-])cc3)C(C(=O)[O-])=C2C)cc1F ZINC001594095460 998066481 /nfs/dbraw/zinc/06/64/81/998066481.db2.gz QEHNFZRFOPCUQZ-KRWDZBQOSA-N -2 0 384.363 3.462 20 0 GGADRL Cc1ccc([C@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])c(Cl)c1 ZINC001594097514 998071605 /nfs/dbraw/zinc/07/16/05/998071605.db2.gz CMQFQGUXLHLCFZ-MRXNPFEDSA-N -2 0 380.828 3.328 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2scnc2C2CC2)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC001594099190 998093952 /nfs/dbraw/zinc/09/39/52/998093952.db2.gz ZVAVQZBZYIWFLQ-OAHLLOKOSA-N -2 0 399.428 3.348 20 0 GGADRL COC(=O)c1cc(NS(=O)(=O)c2cccc(C(C)C)c2)cc(C(=O)[O-])c1 ZINC001598948958 998110509 /nfs/dbraw/zinc/11/05/09/998110509.db2.gz MQDBQCMJTFVODK-UHFFFAOYSA-N -2 0 377.418 3.096 20 0 GGADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)c(C(=O)[O-])s1 ZINC001598955165 998226007 /nfs/dbraw/zinc/22/60/07/998226007.db2.gz HRSJOGILHHBFNQ-UHFFFAOYSA-N -2 0 395.458 3.301 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2c(C)noc2-c2ccccc2)ccc1C(=O)[O-] ZINC001599459012 998238183 /nfs/dbraw/zinc/23/81/83/998238183.db2.gz CGBPUVWPNUVPNG-UHFFFAOYSA-N -2 0 388.401 3.158 20 0 GGADRL COC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001598957037 998262090 /nfs/dbraw/zinc/26/20/90/998262090.db2.gz UHIOXQSHTQXNQU-UHFFFAOYSA-N -2 0 385.397 3.125 20 0 GGADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC001599461253 998277240 /nfs/dbraw/zinc/27/72/40/998277240.db2.gz NOGHUGISSFMDGK-UHFFFAOYSA-N -2 0 397.474 3.071 20 0 GGADRL COc1cc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)ccc1C(=O)[O-] ZINC001599461515 998280405 /nfs/dbraw/zinc/28/04/05/998280405.db2.gz VMMXXLNJGGHDDN-UHFFFAOYSA-N -2 0 393.417 3.016 20 0 GGADRL COCCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC001599265289 998457819 /nfs/dbraw/zinc/45/78/19/998457819.db2.gz RQXLSJIRJTVVSZ-UHFFFAOYSA-N -2 0 399.852 3.037 20 0 GGADRL COc1ccc(-n2cc([O-])c(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)n2)cc1 ZINC001599474174 998501050 /nfs/dbraw/zinc/50/10/50/998501050.db2.gz YTTHJQTXRSVVIM-UHFFFAOYSA-N -2 0 387.779 3.190 20 0 GGADRL COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC001599002494 998831300 /nfs/dbraw/zinc/83/13/00/998831300.db2.gz POCULRNURYNVDH-UHFFFAOYSA-N -2 0 385.397 3.125 20 0 GGADRL COC(=O)c1sc(S(=O)(=O)[N-]c2ccccc2C(C)C)c(C(=O)[O-])c1C ZINC001599022809 998994046 /nfs/dbraw/zinc/99/40/46/998994046.db2.gz VLEPZMDIRDMREE-UHFFFAOYSA-N -2 0 397.474 3.466 20 0 GGADRL C[C@H]1CC[C@@](NC(=O)c2cc(F)c(F)c([O-])c2F)(C(=O)[O-])c2ccccc21 ZINC001594322505 999243058 /nfs/dbraw/zinc/24/30/58/999243058.db2.gz MTNHMXAJYNCEMQ-UGZDLDLSSA-N -2 0 379.334 3.417 20 0 GGADRL CO[C@H](CS(=O)(=O)[N-]c1nc(C(=O)[O-])c(C(C)C)s1)c1ccccc1 ZINC001599058735 999250109 /nfs/dbraw/zinc/25/01/09/999250109.db2.gz KYAUVZXBVSBQQT-GFCCVEGCSA-N -2 0 384.479 3.094 20 0 GGADRL C[C@@H]1CCC[C@@H](OCc2cccc([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])c2)C1 ZINC001594355945 999342603 /nfs/dbraw/zinc/34/26/03/999342603.db2.gz NYJOHHZIHIRTLY-IUODEOHRSA-N -2 0 393.465 3.004 20 0 GGADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000012557103 221206712 /nfs/dbraw/zinc/20/67/12/221206712.db2.gz SRRKBKJDFGKQTQ-UHFFFAOYSA-N -2 0 398.234 3.151 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000058344213 222051413 /nfs/dbraw/zinc/05/14/13/222051413.db2.gz GQZAHIORCYHCBK-UHFFFAOYSA-N -2 0 393.314 3.352 20 0 GGADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000089420837 222327703 /nfs/dbraw/zinc/32/77/03/222327703.db2.gz YPNUGCAVWICIEQ-UHFFFAOYSA-N -2 0 393.314 3.352 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c(F)c1 ZINC000078938777 222298906 /nfs/dbraw/zinc/29/89/06/222298906.db2.gz GFCHQRILLRMMHV-UHFFFAOYSA-N -2 0 377.315 3.430 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c(F)c1 ZINC000078938543 222298915 /nfs/dbraw/zinc/29/89/15/222298915.db2.gz OWIXKPSGOKAXMB-UHFFFAOYSA-N -2 0 376.365 3.343 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)c(Cl)c1 ZINC000079054851 222302359 /nfs/dbraw/zinc/30/23/59/222302359.db2.gz GWLIMIPEZDFYDR-UHFFFAOYSA-N -2 0 381.837 3.497 20 0 GGADRL Cc1cc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000079107653 222302922 /nfs/dbraw/zinc/30/29/22/222302922.db2.gz QUJDXAFDJKDWDP-UHFFFAOYSA-N -2 0 391.445 3.165 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)sc1C(=O)[O-] ZINC000115869768 564200246 /nfs/dbraw/zinc/20/02/46/564200246.db2.gz ZBEUBNPNJZEEIZ-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000013278847 564275492 /nfs/dbraw/zinc/27/54/92/564275492.db2.gz ZPCMUBUATGJBLG-UHFFFAOYSA-N -2 0 382.419 3.124 20 0 GGADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000122153955 564402077 /nfs/dbraw/zinc/40/20/77/564402077.db2.gz CUKXNQQRBXCPGF-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000122147125 564402399 /nfs/dbraw/zinc/40/23/99/564402399.db2.gz JTOCLFKGFKTHQX-UHFFFAOYSA-N -2 0 390.280 3.247 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)cc1 ZINC000032585579 564402569 /nfs/dbraw/zinc/40/25/69/564402569.db2.gz VWKVSPKJGVCJRU-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)c1 ZINC000032600180 564403016 /nfs/dbraw/zinc/40/30/16/564403016.db2.gz CKCSAGCFOJBZLM-UHFFFAOYSA-N -2 0 381.353 3.188 20 0 GGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000032596957 564403242 /nfs/dbraw/zinc/40/32/42/564403242.db2.gz CPQZFCUVCIAQRQ-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000122177702 564403696 /nfs/dbraw/zinc/40/36/96/564403696.db2.gz KTZPJDKOBZHFAG-UHFFFAOYSA-N -2 0 390.280 3.247 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000036751800 564418299 /nfs/dbraw/zinc/41/82/99/564418299.db2.gz UVHSCWADMIDOKB-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)sc1C(=O)[O-] ZINC000042794647 564450940 /nfs/dbraw/zinc/45/09/40/564450940.db2.gz BQABLHGZSDIGRW-UHFFFAOYSA-N -2 0 382.463 3.150 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c(Br)c1 ZINC000047202380 564515111 /nfs/dbraw/zinc/51/51/11/564515111.db2.gz MJXLPQGRFCQPPD-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2sccc2Br)c1 ZINC000048440945 564539447 /nfs/dbraw/zinc/53/94/47/564539447.db2.gz QHBAQRBEIYYNEH-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1sccc1Br ZINC000048441026 564540104 /nfs/dbraw/zinc/54/01/04/564540104.db2.gz XCPNLEVQKRRIKF-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc(C(F)(F)F)c1 ZINC000052471837 564572340 /nfs/dbraw/zinc/57/23/40/564572340.db2.gz YZSSPZYXWSSMHM-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)sc1C(=O)[O-] ZINC000057122590 564660651 /nfs/dbraw/zinc/66/06/51/564660651.db2.gz KWOWMOYDOULQPL-UHFFFAOYSA-N -2 0 380.447 3.214 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)sc1C(=O)[O-] ZINC000057120214 564660704 /nfs/dbraw/zinc/66/07/04/564660704.db2.gz BDGCHXXUSSWFAC-UHFFFAOYSA-N -2 0 381.460 3.074 20 0 GGADRL CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc21 ZINC000130172457 564672866 /nfs/dbraw/zinc/67/28/66/564672866.db2.gz ORDVZATUFLMCJR-UHFFFAOYSA-N -2 0 379.825 3.209 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)c1 ZINC000130399498 564680333 /nfs/dbraw/zinc/68/03/33/564680333.db2.gz BFCPNCBFQXOFCN-UHFFFAOYSA-N -2 0 383.838 3.086 20 0 GGADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000060367179 564697595 /nfs/dbraw/zinc/69/75/95/564697595.db2.gz DCYRLWDDGLVSNR-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000061564232 564707100 /nfs/dbraw/zinc/70/71/00/564707100.db2.gz DNSBKTYIFLYHDA-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000063180371 564714376 /nfs/dbraw/zinc/71/43/76/564714376.db2.gz XFRNPYSKLRTBOR-UHFFFAOYSA-N -2 0 383.809 3.100 20 0 GGADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)cn1 ZINC000066813853 564775340 /nfs/dbraw/zinc/77/53/40/564775340.db2.gz CKKMOQLNLMHMTQ-UHFFFAOYSA-N -2 0 378.237 3.270 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2OC)cc1C(=O)[O-] ZINC000068076215 564807666 /nfs/dbraw/zinc/80/76/66/564807666.db2.gz VZNRUEWTDPHUJS-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cccc1OCC(F)(F)F ZINC000068094166 564808429 /nfs/dbraw/zinc/80/84/29/564808429.db2.gz KSNCPCNBXJKZTO-UHFFFAOYSA-N -2 0 395.380 3.497 20 0 GGADRL CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cscc2C)cc1F ZINC000134662271 564810874 /nfs/dbraw/zinc/81/08/74/564810874.db2.gz YSQPWZRQMDGVSH-UHFFFAOYSA-N -2 0 392.499 3.148 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)sc1C(=O)[O-] ZINC000135357168 564828870 /nfs/dbraw/zinc/82/88/70/564828870.db2.gz MMJRXXPTUWUVKK-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL CCSc1cccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c1 ZINC000071091796 564855077 /nfs/dbraw/zinc/85/50/77/564855077.db2.gz YLNLUFMXDALYOK-UHFFFAOYSA-N -2 0 381.475 3.235 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)c1 ZINC000071081677 564855325 /nfs/dbraw/zinc/85/53/25/564855325.db2.gz BREPKYCKKGPVPM-UHFFFAOYSA-N -2 0 399.343 3.327 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2Cl)c1 ZINC000078789931 564864855 /nfs/dbraw/zinc/86/48/55/564864855.db2.gz YIUPFHBKKQULNV-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccsc2)c1F ZINC000091390640 564870642 /nfs/dbraw/zinc/87/06/42/564870642.db2.gz IEZIGTVDPIWMJZ-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c(OC)cc1Cl ZINC000149058207 564884833 /nfs/dbraw/zinc/88/48/33/564884833.db2.gz FAYAXMFPNFLTEE-UHFFFAOYSA-N -2 0 391.854 3.226 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2sccc2Br)c(C(=O)[O-])c1 ZINC000148548838 564885025 /nfs/dbraw/zinc/88/50/25/564885025.db2.gz QEKDSDCDIZIIQX-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)sc1Br ZINC000149468557 564885883 /nfs/dbraw/zinc/88/58/83/564885883.db2.gz DIGIPBZCRIMDCR-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])sc1Br ZINC000149419132 564886069 /nfs/dbraw/zinc/88/60/69/564886069.db2.gz CZOPRBXMFPRIPV-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)c(C(=O)[O-])c1 ZINC000110302661 565038963 /nfs/dbraw/zinc/03/89/63/565038963.db2.gz PLRZEEMHDMDLHT-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c1 ZINC000156354608 565081669 /nfs/dbraw/zinc/08/16/69/565081669.db2.gz JLODIHOEPPVOQL-UHFFFAOYSA-N -2 0 381.410 3.085 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1C ZINC000184151530 565116446 /nfs/dbraw/zinc/11/64/46/565116446.db2.gz AGBUDRYVLBDABA-UHFFFAOYSA-N -2 0 392.202 3.297 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)cccc2F)ccc1Br ZINC000157132048 565119598 /nfs/dbraw/zinc/11/95/98/565119598.db2.gz KJWXTAGKBXGVKG-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)s1 ZINC000268023335 565137988 /nfs/dbraw/zinc/13/79/88/565137988.db2.gz WLBBTXKFZWAPOM-UHFFFAOYSA-N -2 0 384.479 3.113 20 0 GGADRL CCn1nc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cc1C1CC1 ZINC000268941978 565172865 /nfs/dbraw/zinc/17/28/65/565172865.db2.gz GBYFGGNEJWIZSC-UHFFFAOYSA-N -2 0 387.820 3.072 20 0 GGADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000185570660 565208655 /nfs/dbraw/zinc/20/86/55/565208655.db2.gz LSJHTLCPNUXGSA-UHFFFAOYSA-N -2 0 377.315 3.272 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)cc1C(=O)[O-] ZINC000271094441 565238499 /nfs/dbraw/zinc/23/84/99/565238499.db2.gz VZEBZXZINLNTIV-UHFFFAOYSA-N -2 0 376.356 3.112 20 0 GGADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnn([C@@H](C)C2CC2)c1 ZINC000187743021 565352484 /nfs/dbraw/zinc/35/24/84/565352484.db2.gz SHOUEJBPCWTZIW-JTQLQIEISA-N -2 0 383.857 3.315 20 0 GGADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000187743037 565352812 /nfs/dbraw/zinc/35/28/12/565352812.db2.gz SHOUEJBPCWTZIW-SNVBAGLBSA-N -2 0 383.857 3.315 20 0 GGADRL Cc1ccc(F)c(-c2cc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)n[nH]2)c1 ZINC000188535888 565406382 /nfs/dbraw/zinc/40/63/82/565406382.db2.gz HXAGOKCXTWUWRF-UHFFFAOYSA-N -2 0 381.410 3.085 20 0 GGADRL Cc1nccc(-c2cccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)c2)n1 ZINC000377440415 565479001 /nfs/dbraw/zinc/47/90/01/565479001.db2.gz TVVHVESSRIDJQX-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2[N-]S(C)(=O)=O)sc1Cl ZINC000190336492 565523254 /nfs/dbraw/zinc/52/32/54/565523254.db2.gz SHRYEOOHMPJTLF-UHFFFAOYSA-N -2 0 398.890 3.021 20 0 GGADRL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(CC)c1 ZINC000392289766 565564017 /nfs/dbraw/zinc/56/40/17/565564017.db2.gz NYGAHKRXVAXFEY-UHFFFAOYSA-N -2 0 386.857 3.449 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1C(=O)[O-] ZINC000392187657 565564348 /nfs/dbraw/zinc/56/43/48/565564348.db2.gz HKKRJLNLUYNRCA-UHFFFAOYSA-N -2 0 377.447 3.131 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000392753576 565567301 /nfs/dbraw/zinc/56/73/01/565567301.db2.gz BZRPVGBYYDFZMA-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cccc1C(=O)[O-] ZINC000392919086 565567407 /nfs/dbraw/zinc/56/74/07/565567407.db2.gz JAFUOYQJGJYNKC-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000393197291 565568524 /nfs/dbraw/zinc/56/85/24/565568524.db2.gz ZRUKIKKYEIIDAP-UHFFFAOYSA-N -2 0 393.389 3.166 20 0 GGADRL Cc1cc(Br)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccs1 ZINC000312712119 565582062 /nfs/dbraw/zinc/58/20/62/565582062.db2.gz GCMURESPSVNEQR-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000318301003 565595169 /nfs/dbraw/zinc/59/51/69/565595169.db2.gz MPXILDXRHWSOJG-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1O ZINC000323064705 565613103 /nfs/dbraw/zinc/61/31/03/565613103.db2.gz MYWMPMPAFJGTPK-UHFFFAOYSA-N -2 0 380.180 3.337 20 0 GGADRL Cc1c(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cccc1C(=O)[O-] ZINC000327051280 565627118 /nfs/dbraw/zinc/62/71/18/565627118.db2.gz TXGXLECVUAEDJE-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c(F)c1 ZINC000327192004 565628349 /nfs/dbraw/zinc/62/83/49/565628349.db2.gz AZHRXYZSIXNJFB-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1-n1cccn1 ZINC000327277180 565628900 /nfs/dbraw/zinc/62/89/00/565628900.db2.gz FMIUYNCAFBZLBZ-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c(F)c1 ZINC000327369170 565629005 /nfs/dbraw/zinc/62/90/05/565629005.db2.gz VKLDPDBAFDIDJZ-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)C(C)C)c1 ZINC000327324313 565629085 /nfs/dbraw/zinc/62/90/85/565629085.db2.gz CYAVJYOBZXBXAO-UHFFFAOYSA-N -2 0 382.463 3.150 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c(C(F)(F)F)c1 ZINC000327529167 565630397 /nfs/dbraw/zinc/63/03/97/565630397.db2.gz XGZNGZOYVOUKGK-UHFFFAOYSA-N -2 0 379.312 3.114 20 0 GGADRL CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000327821217 565633344 /nfs/dbraw/zinc/63/33/44/565633344.db2.gz KVFIUNOXDLMIGF-UHFFFAOYSA-N -2 0 383.809 3.016 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1Cl ZINC000327976258 565634229 /nfs/dbraw/zinc/63/42/29/565634229.db2.gz XTGVEXGPSOZUAU-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c(Cl)c1 ZINC000328053051 565634527 /nfs/dbraw/zinc/63/45/27/565634527.db2.gz SLWBDYINWWFKDL-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL Cc1ccc(-n2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cn2)c(C)c1 ZINC000191897974 565641146 /nfs/dbraw/zinc/64/11/46/565641146.db2.gz ZDWNJVMGNZACSP-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2F)ccc1C(=O)[O-] ZINC000410375051 565680508 /nfs/dbraw/zinc/68/05/08/565680508.db2.gz WBMZRLLLUIVZBR-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)ccc1F ZINC000410421365 565685423 /nfs/dbraw/zinc/68/54/23/565685423.db2.gz MBQWTBQFXSHOEI-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL Cc1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000193041159 565727803 /nfs/dbraw/zinc/72/78/03/565727803.db2.gz FOUVGLUQIZIDRX-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc(F)c2)c1F ZINC000193041029 565728060 /nfs/dbraw/zinc/72/80/60/565728060.db2.gz QGVINWZSYMZBIG-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000193362634 565746992 /nfs/dbraw/zinc/74/69/92/565746992.db2.gz GNPCIWBEGOAZIQ-UHFFFAOYSA-N -2 0 395.234 3.014 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1C1CCCC1 ZINC000194222236 565802523 /nfs/dbraw/zinc/80/25/23/565802523.db2.gz WZDFXJXXWMMTAP-UHFFFAOYSA-N -2 0 383.857 3.459 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000194223304 565802991 /nfs/dbraw/zinc/80/29/91/565802991.db2.gz PMXWYXRUOSGFIY-UHFFFAOYSA-N -2 0 383.857 3.459 20 0 GGADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000177028832 565824229 /nfs/dbraw/zinc/82/42/29/565824229.db2.gz LXFITWJQKCVFMK-UHFFFAOYSA-N -2 0 384.244 3.269 20 0 GGADRL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)c1 ZINC000284954495 565879528 /nfs/dbraw/zinc/87/95/28/565879528.db2.gz CVEBHPWFQGUBAH-UHFFFAOYSA-N -2 0 390.248 3.025 20 0 GGADRL Cc1cc(S(=O)(=O)NCC[C@@H](CC(=O)[O-])C(F)(F)F)sc1Cl ZINC000285317100 565900472 /nfs/dbraw/zinc/90/04/72/565900472.db2.gz ZNGAMZSIXXYYNN-ZETCQYMHSA-N -2 0 379.809 3.032 20 0 GGADRL Cc1c(Br)cccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000227870114 565924290 /nfs/dbraw/zinc/92/42/90/565924290.db2.gz BIVRKYGYCJUHKZ-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2sccc2Br)cc1F ZINC000229620142 565927448 /nfs/dbraw/zinc/92/74/48/565927448.db2.gz CIIBWUBBKVBQTA-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)s1 ZINC000179024381 565952884 /nfs/dbraw/zinc/95/28/84/565952884.db2.gz NKNCSOHBCHKOPL-UHFFFAOYSA-N -2 0 380.369 3.278 20 0 GGADRL COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)[N-]c1ncsc1C(C)C ZINC000288095990 566056842 /nfs/dbraw/zinc/05/68/42/566056842.db2.gz ALJJFYHWKQORKI-FNORWQNLSA-N -2 0 382.463 3.174 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)ccc1Cl ZINC000181242697 566127186 /nfs/dbraw/zinc/12/71/86/566127186.db2.gz QZCMSPPKMMWPKQ-UHFFFAOYSA-N -2 0 380.731 3.253 20 0 GGADRL O=C([O-])CCCCCNC(=O)N=c1[n-]nc(-c2ccc(Cl)cc2F)s1 ZINC000417785498 566175234 /nfs/dbraw/zinc/17/52/34/566175234.db2.gz DDGQCSWJDHECSI-UHFFFAOYSA-N -2 0 386.836 3.186 20 0 GGADRL O=C([O-])CCCCCNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1 ZINC000417775415 566176099 /nfs/dbraw/zinc/17/60/99/566176099.db2.gz OWTYRONAXYADCO-UHFFFAOYSA-N -2 0 386.836 3.186 20 0 GGADRL CCc1[nH][nH]c(=NC(=O)c2cc(O)ccc2C(F)(F)F)c1Br ZINC000575433391 566271629 /nfs/dbraw/zinc/27/16/29/566271629.db2.gz QKKUBUQZQGCNLU-UHFFFAOYSA-N -2 0 378.148 3.133 20 0 GGADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000556348267 566289408 /nfs/dbraw/zinc/28/94/08/566289408.db2.gz YZVRPNPZTJKCBJ-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000509398046 566299405 /nfs/dbraw/zinc/29/94/05/566299405.db2.gz ZCCMROBOWJIOHE-UHFFFAOYSA-N -2 0 378.303 3.047 20 0 GGADRL Cc1csc(Nc2cccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2)n1 ZINC000509572257 566315552 /nfs/dbraw/zinc/31/55/52/566315552.db2.gz UWICRCSQDUOQPU-UHFFFAOYSA-N -2 0 378.435 3.022 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCC(F)(F)F)c[nH]1 ZINC000509663317 566326276 /nfs/dbraw/zinc/32/62/76/566326276.db2.gz GTJMSVKXYSCGCA-UHFFFAOYSA-N -2 0 398.746 3.108 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1C(=O)[O-] ZINC000509672799 566328206 /nfs/dbraw/zinc/32/82/06/566328206.db2.gz RGWQEMOCXRGZOC-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1 ZINC000446617234 566357328 /nfs/dbraw/zinc/35/73/28/566357328.db2.gz KDMVNXQKIHJEGP-UHFFFAOYSA-N -2 0 385.511 3.496 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c(O)c1 ZINC000446640038 566359371 /nfs/dbraw/zinc/35/93/71/566359371.db2.gz YHXBTWRECMYKIN-UHFFFAOYSA-N -2 0 385.463 3.259 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c(Cl)cc1C(=O)[O-] ZINC000576742793 566374308 /nfs/dbraw/zinc/37/43/08/566374308.db2.gz FOOLDXRJKZSRJL-UHFFFAOYSA-N -2 0 392.216 3.207 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(C)nc1C1CCCCC1 ZINC000649654220 566382394 /nfs/dbraw/zinc/38/23/94/566382394.db2.gz PEYZYBZKBRJBBY-UHFFFAOYSA-N -2 0 383.495 3.337 20 0 GGADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000447114528 566388078 /nfs/dbraw/zinc/38/80/78/566388078.db2.gz RXMSEFISQWYJCQ-LLVKDONJSA-N -2 0 383.853 3.413 20 0 GGADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000447121966 566388142 /nfs/dbraw/zinc/38/81/42/566388142.db2.gz SPANGUUCAIJYKS-UHFFFAOYSA-N -2 0 380.809 3.329 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)c(O)c1 ZINC000447780356 566427894 /nfs/dbraw/zinc/42/78/94/566427894.db2.gz XEELZVCWEGCUGX-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cccc21 ZINC000447777191 566427933 /nfs/dbraw/zinc/42/79/33/566427933.db2.gz FEFJGJXNDFAVFO-GFCCVEGCSA-N -2 0 383.447 3.026 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2cccc(C)c2Cl)c(C(=O)[O-])c1 ZINC000537196587 566430239 /nfs/dbraw/zinc/43/02/39/566430239.db2.gz ZLZCDKNDKIXBQS-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1C(F)(F)F ZINC000447789392 566430374 /nfs/dbraw/zinc/43/03/74/566430374.db2.gz SAPPYGCBZXTZMW-UHFFFAOYSA-N -2 0 381.353 3.275 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)ccc1C(F)(F)F ZINC000447791846 566432328 /nfs/dbraw/zinc/43/23/28/566432328.db2.gz ODKNEZPIHBGUKP-UHFFFAOYSA-N -2 0 379.312 3.114 20 0 GGADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])s1 ZINC000484495427 566432594 /nfs/dbraw/zinc/43/25/94/566432594.db2.gz BTXPEYDMPJDFFL-UHFFFAOYSA-N -2 0 386.520 3.382 20 0 GGADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000484506790 566432763 /nfs/dbraw/zinc/43/27/63/566432763.db2.gz XJJGVVFHLNAEGK-UHFFFAOYSA-N -2 0 377.315 3.272 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c2ncccc12 ZINC000463785199 566433715 /nfs/dbraw/zinc/43/37/15/566433715.db2.gz HIHTVVVSLFVRBR-UHFFFAOYSA-N -2 0 378.431 3.194 20 0 GGADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(=O)[O-])c1 ZINC000511128861 566441125 /nfs/dbraw/zinc/44/11/25/566441125.db2.gz YNVRUTVCFZAKQM-UHFFFAOYSA-N -3 0 383.447 3.243 20 0 GGADRL COc1cc(OC)cc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c1 ZINC000484791431 566454492 /nfs/dbraw/zinc/45/44/92/566454492.db2.gz CIIVMTLXFVXTRZ-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL CC(C)n1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000485029166 566470760 /nfs/dbraw/zinc/47/07/60/566470760.db2.gz DTKFUSAVVMBEDW-UHFFFAOYSA-N -2 0 378.237 3.270 20 0 GGADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000558475259 566478886 /nfs/dbraw/zinc/47/88/86/566478886.db2.gz KXJWHDUYQBULDT-UHFFFAOYSA-N -2 0 378.303 3.047 20 0 GGADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1 ZINC000485250800 566485871 /nfs/dbraw/zinc/48/58/71/566485871.db2.gz FOXMCTXDGHYHME-UHFFFAOYSA-N -2 0 379.287 3.065 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c(Cl)cc1C(=O)[O-] ZINC000485253395 566486377 /nfs/dbraw/zinc/48/63/77/566486377.db2.gz MMZWYZBMYFPJOT-UHFFFAOYSA-N -2 0 383.809 3.050 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c(Cl)cc1C(=O)[O-] ZINC000485281836 566487466 /nfs/dbraw/zinc/48/74/66/566487466.db2.gz WWJIQKSPHAOHIT-UHFFFAOYSA-N -2 0 385.825 3.170 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c(Cl)cc1C(=O)[O-] ZINC000485293508 566487632 /nfs/dbraw/zinc/48/76/32/566487632.db2.gz UYTPKRCODSGNTL-UHFFFAOYSA-N -2 0 380.809 3.329 20 0 GGADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1 ZINC000485290360 566487684 /nfs/dbraw/zinc/48/76/84/566487684.db2.gz LJZSODFFDBMGJI-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c(Cl)cc1C(=O)[O-] ZINC000485291343 566488262 /nfs/dbraw/zinc/48/82/62/566488262.db2.gz RJPOBXKFIYBCOM-UHFFFAOYSA-N -2 0 383.809 3.050 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)ccc1F ZINC000485388126 566493409 /nfs/dbraw/zinc/49/34/09/566493409.db2.gz ZXWHBSCLVWOLKH-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)sc1C(=O)[O-] ZINC000485885202 566536192 /nfs/dbraw/zinc/53/61/92/566536192.db2.gz VRZSWOIABRUQDU-UHFFFAOYSA-N -2 0 377.447 3.254 20 0 GGADRL CCC(CC)(CC(=O)[O-])NS(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000578766334 566551908 /nfs/dbraw/zinc/55/19/08/566551908.db2.gz NEXQFRMRIJRATR-UHFFFAOYSA-N -2 0 385.816 3.253 20 0 GGADRL COc1ccsc1S(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1 ZINC000512790437 566557543 /nfs/dbraw/zinc/55/75/43/566557543.db2.gz MPMNAMBYZUWMFQ-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2)c(OC(F)(F)F)c1 ZINC000486102241 566557513 /nfs/dbraw/zinc/55/75/13/566557513.db2.gz QWKADFYPBFIIEP-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)s1 ZINC000512790429 566557618 /nfs/dbraw/zinc/55/76/18/566557618.db2.gz MMQGMWONPRPMIP-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)s1 ZINC000486130525 566560572 /nfs/dbraw/zinc/56/05/72/566560572.db2.gz SRZAOTMSCXNYLV-UHFFFAOYSA-N -2 0 380.491 3.392 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(SC)c1C ZINC000539194265 566566190 /nfs/dbraw/zinc/56/61/90/566566190.db2.gz OXUXPHIXNCGDPP-UHFFFAOYSA-N -2 0 381.475 3.153 20 0 GGADRL Cc1c(Br)cc([N-]S(=O)(=O)c2cccs2)cc1C(=O)[O-] ZINC000560014027 566584718 /nfs/dbraw/zinc/58/47/18/566584718.db2.gz WABNNUVWBDFANE-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)c1 ZINC000674755358 566606741 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O=C([O-])CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)s1 ZINC000579922215 566650565 /nfs/dbraw/zinc/65/05/65/566650565.db2.gz CLTJVIRJLFYYIX-VHSXEESVSA-N -2 0 396.328 3.213 20 0 GGADRL O=C([O-])CC[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)s1 ZINC000579922213 566651164 /nfs/dbraw/zinc/65/11/64/566651164.db2.gz CLTJVIRJLFYYIX-NXEZZACHSA-N -2 0 396.328 3.213 20 0 GGADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cccc(C)c2Cl)c1OC ZINC000540496047 566654496 /nfs/dbraw/zinc/65/44/96/566654496.db2.gz JFSDHUMSPXFHPG-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(Cl)ccc3O)c1)CCCC2 ZINC000607103607 566658735 /nfs/dbraw/zinc/65/87/35/566658735.db2.gz ITVDPBXWAIATOJ-UHFFFAOYSA-N -2 0 381.837 3.423 20 0 GGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1Cl ZINC000467755978 566662870 /nfs/dbraw/zinc/66/28/70/566662870.db2.gz UBBHMJANJXMVPN-UHFFFAOYSA-N -2 0 392.216 3.207 20 0 GGADRL C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653493512 566672245 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383.447 3.206 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c(Cl)c1 ZINC000561686704 566729011 /nfs/dbraw/zinc/72/90/11/566729011.db2.gz IONFWRBDVUJHJL-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL CCOc1cc([N-]S(=O)(=O)c2sccc2F)c(C(=O)[O-])cc1OCC ZINC000451009462 566734325 /nfs/dbraw/zinc/73/43/25/566734325.db2.gz PHSNGTOGUCIMNM-UHFFFAOYSA-N -2 0 389.426 3.184 20 0 GGADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000468876354 566740388 /nfs/dbraw/zinc/74/03/88/566740388.db2.gz HQSGBHWNGIVKGM-UHFFFAOYSA-N -2 0 385.825 3.003 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1CC(C)C ZINC000677417423 566744680 /nfs/dbraw/zinc/74/46/80/566744680.db2.gz CZADZWWGMZIYDX-UHFFFAOYSA-N -2 0 385.873 3.254 20 0 GGADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000541799176 566748546 /nfs/dbraw/zinc/74/85/46/566748546.db2.gz PLVTZWNFCLZLOT-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000541807641 566750892 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GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)n[nH]2)s1 ZINC000489573392 566795836 /nfs/dbraw/zinc/79/58/36/566795836.db2.gz PBOQUVSCOPUVPM-UHFFFAOYSA-N -2 0 381.410 3.085 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(OCC(F)F)cc2)c(Cl)c1 ZINC000489604832 566798600 /nfs/dbraw/zinc/79/86/00/566798600.db2.gz ABKNAZJUXXNMPH-UHFFFAOYSA-N -2 0 391.779 3.483 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(Br)c(C)c(C(=O)[O-])c2)c(C)o1 ZINC000517036791 566803010 /nfs/dbraw/zinc/80/30/10/566803010.db2.gz VYVXNHDNJVFFRL-UHFFFAOYSA-N -2 0 388.239 3.466 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c(Cl)c1 ZINC000489753761 566808427 /nfs/dbraw/zinc/80/84/27/566808427.db2.gz NOZOLJFTQPRKAQ-UHFFFAOYSA-N -2 0 395.849 3.358 20 0 GGADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c1 ZINC000581976159 566820130 /nfs/dbraw/zinc/82/01/30/566820130.db2.gz SPAOEFMCRBTYJS-UHFFFAOYSA-N -2 0 376.217 3.127 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000543166421 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378.793 3.494 20 0 GGADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000471967660 566990218 /nfs/dbraw/zinc/99/02/18/566990218.db2.gz CLAPURYKOUTKGB-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL Cc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000471962139 566990840 /nfs/dbraw/zinc/99/08/40/566990840.db2.gz ADUJAAJTPWXZRV-UHFFFAOYSA-N -2 0 381.353 3.454 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)c1 ZINC000471982427 566991945 /nfs/dbraw/zinc/99/19/45/566991945.db2.gz XWHIKXDGKUDAIU-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000471977189 566992239 /nfs/dbraw/zinc/99/22/39/566992239.db2.gz HREUAACHYNIEFK-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)s1 ZINC000471976523 566992416 /nfs/dbraw/zinc/99/24/16/566992416.db2.gz FXWFACDGGKMYAU-UHFFFAOYSA-N -2 0 396.368 3.158 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)c(C)o1 ZINC000471978712 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3.135 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c(Cl)c1 ZINC000499283352 567234577 /nfs/dbraw/zinc/23/45/77/567234577.db2.gz HTFWZDTVMPZTGL-UHFFFAOYSA-N -2 0 378.793 3.494 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)cc3)c2)cs1 ZINC000525238406 567237167 /nfs/dbraw/zinc/23/71/67/567237167.db2.gz PPOBKIXRAXKRLI-UHFFFAOYSA-N -2 0 397.865 3.145 20 0 GGADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000547871120 567253279 /nfs/dbraw/zinc/25/32/79/567253279.db2.gz DKNSEAZFDWNUJC-UHFFFAOYSA-N -2 0 378.303 3.047 20 0 GGADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-]c1cc(F)c(NC(C)(C)C)cc1C(=O)[O-] ZINC000547888284 567257200 /nfs/dbraw/zinc/25/72/00/567257200.db2.gz FZGKJTZQTMPVMZ-ZETCQYMHSA-N -2 0 386.367 3.427 20 0 GGADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000475738389 567271192 /nfs/dbraw/zinc/27/11/92/567271192.db2.gz JSGVDJDBKLBAPR-UHFFFAOYSA-N -2 0 391.779 3.434 20 0 GGADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C 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ZINC000592429696 567337929 /nfs/dbraw/zinc/33/79/29/567337929.db2.gz YEJPQOKOTCUZCN-UHFFFAOYSA-N -2 0 395.234 3.429 20 0 GGADRL Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])s1 ZINC000568581112 567340556 /nfs/dbraw/zinc/34/05/56/567340556.db2.gz KJQSUBYUMILKRB-UHFFFAOYSA-N -2 0 380.369 3.278 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)sc2C(=O)[O-])cn1 ZINC000501267233 567376234 /nfs/dbraw/zinc/37/62/34/567376234.db2.gz SIYYKTQNIZRYMY-UHFFFAOYSA-N -2 0 377.447 3.131 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000477405097 567393024 /nfs/dbraw/zinc/39/30/24/567393024.db2.gz XCNINYLETCOCBG-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL CCCCc1n[n-]c(=NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])s1 ZINC000618492580 567395580 /nfs/dbraw/zinc/39/55/80/567395580.db2.gz OREFOXQAWCFARC-UHFFFAOYSA-N -2 0 377.857 3.100 20 0 GGADRL CSc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)CCC(=O)[O-])c1 ZINC000436025101 567402190 /nfs/dbraw/zinc/40/21/90/567402190.db2.gz HCBVGHJGZBRTOQ-UHFFFAOYSA-N -2 0 379.459 3.257 20 0 GGADRL COC(=O)c1csc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)c1 ZINC000501791605 567405954 /nfs/dbraw/zinc/40/59/54/567405954.db2.gz GCIWBFNRIIOFAH-UHFFFAOYSA-N -2 0 383.447 3.157 20 0 GGADRL O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1ccc(Br)cc1[O-] ZINC000436484677 567427922 /nfs/dbraw/zinc/42/79/22/567427922.db2.gz NISQEHVSVBCLFO-UHFFFAOYSA-N -2 0 390.262 3.271 20 0 GGADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000436608824 567438916 /nfs/dbraw/zinc/43/89/16/567438916.db2.gz QFLRMKHNPBFSJD-UHFFFAOYSA-N -2 0 383.809 3.137 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1Cl ZINC000436720232 567445586 /nfs/dbraw/zinc/44/55/86/567445586.db2.gz IRSFTKKCVXFTAW-UHFFFAOYSA-N -2 0 385.825 3.252 20 0 GGADRL CO[C@@H](C)c1nc(=NC(=O)c2cc(Cl)cc(Br)c2[O-])s[n-]1 ZINC000436729432 567447482 /nfs/dbraw/zinc/44/74/82/567447482.db2.gz GNYIOBJVHZCAIX-YFKPBYRVSA-N -2 0 392.662 3.041 20 0 GGADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000436787548 567452264 /nfs/dbraw/zinc/45/22/64/567452264.db2.gz WXISFPSRIOQHGB-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)c1 ZINC000436959109 567470946 /nfs/dbraw/zinc/47/09/46/567470946.db2.gz FRJZHZSXHMDPDR-UHFFFAOYSA-N -2 0 393.751 3.146 20 0 GGADRL CC(=O)c1ccc([O-])c(NC(=O)c2ccc(I)c([O-])c2)c1 ZINC000436982461 567471936 /nfs/dbraw/zinc/47/19/36/567471936.db2.gz UJFPUQDDTKMDPB-UHFFFAOYSA-N -2 0 397.168 3.157 20 0 GGADRL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cn1 ZINC000478688825 567475597 /nfs/dbraw/zinc/47/55/97/567475597.db2.gz RDHUOZWHIHMQBB-SECBINFHSA-N -2 0 383.857 3.451 20 0 GGADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccnc2OC(C)C)cc1C(=O)[O-] ZINC000479230717 567516106 /nfs/dbraw/zinc/51/61/06/567516106.db2.gz FYWJQXSUHQCCAJ-UHFFFAOYSA-N -2 0 384.841 3.330 20 0 GGADRL Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)cc1C(=O)[O-] ZINC000479234104 567517700 /nfs/dbraw/zinc/51/77/00/567517700.db2.gz KBTZKZVCDTWIBX-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cn1 ZINC000479241362 567517950 /nfs/dbraw/zinc/51/79/50/567517950.db2.gz KQXHVYBPBQPEJS-VIFPVBQESA-N -2 0 383.857 3.451 20 0 GGADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479396690 567531714 /nfs/dbraw/zinc/53/17/14/567531714.db2.gz XGKZVSZAVVIIRX-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])c(Cl)c1 ZINC000571119384 567539352 /nfs/dbraw/zinc/53/93/52/567539352.db2.gz QNTFPCDZVPQHBY-UHFFFAOYSA-N -2 0 380.809 3.329 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)c(F)c1 ZINC000504666515 567542750 /nfs/dbraw/zinc/54/27/50/567542750.db2.gz VHEKQDHRSWQMIY-SNVBAGLBSA-N -2 0 385.438 3.200 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c(F)c1 ZINC000438762065 567543378 /nfs/dbraw/zinc/54/33/78/567543378.db2.gz URIQAXHNRBWJON-UHFFFAOYSA-N -2 0 377.315 3.430 20 0 GGADRL Cc1cc(Br)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccsc1 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ZINC000531600507 567668994 /nfs/dbraw/zinc/66/89/94/567668994.db2.gz WKUZRUMYRTXEOU-UHFFFAOYSA-N -2 0 383.447 3.157 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(-c2ccccc2Cl)n1 ZINC000531752814 567677390 /nfs/dbraw/zinc/67/73/90/567677390.db2.gz BBMRNIJAYVWRTC-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1 ZINC000481435904 567677618 /nfs/dbraw/zinc/67/76/18/567677618.db2.gz NJPXWEJOXBKKIY-UHFFFAOYSA-N -2 0 390.200 3.191 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)cc1Cl ZINC000507583507 567687357 /nfs/dbraw/zinc/68/73/57/567687357.db2.gz PRHYYCVUCCWGNO-UHFFFAOYSA-N -2 0 383.853 3.339 20 0 GGADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000460451191 567689417 /nfs/dbraw/zinc/68/94/17/567689417.db2.gz TVXKLMRYMUZKSF-UHFFFAOYSA-N -2 0 381.475 3.371 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cn(C(C)C)cn2)c(SCCC(=O)[O-])c1 ZINC000460445002 567689657 /nfs/dbraw/zinc/68/96/57/567689657.db2.gz GDHZEZOIBIJVNC-UHFFFAOYSA-N -2 0 383.495 3.140 20 0 GGADRL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3O)s2)cs1 ZINC000481589110 567690350 /nfs/dbraw/zinc/69/03/50/567690350.db2.gz QXRYTOMDOMYCAK-UHFFFAOYSA-N -2 0 396.471 3.385 20 0 GGADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)s1 ZINC000460780533 567702255 /nfs/dbraw/zinc/70/22/55/567702255.db2.gz WZEXXBNYFUXGSC-UHFFFAOYSA-N -2 0 380.369 3.223 20 0 GGADRL O=C([O-])c1ccc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)cc1 ZINC000532552132 567721187 /nfs/dbraw/zinc/72/11/87/567721187.db2.gz NOFJJWXSVYXUJK-UHFFFAOYSA-N -2 0 387.189 3.241 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)ccc1C(=O)[O-] ZINC000507980036 567721149 /nfs/dbraw/zinc/72/11/49/567721149.db2.gz QOEVSASSJGWBTG-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c(Br)c1 ZINC000462083243 567768381 /nfs/dbraw/zinc/76/83/81/567768381.db2.gz ZYTWTANITDTIKK-UHFFFAOYSA-N -2 0 395.234 3.429 20 0 GGADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000462107211 567773562 /nfs/dbraw/zinc/77/35/62/567773562.db2.gz YMJCICIXHOROTM-UHFFFAOYSA-N -2 0 388.214 3.016 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c1Br ZINC000533625123 567778924 /nfs/dbraw/zinc/77/89/24/567778924.db2.gz CDEVRCNVRXMWLD-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1Cl ZINC000444424559 567805778 /nfs/dbraw/zinc/80/57/78/567805778.db2.gz WUHUUHCSLOPMDG-UHFFFAOYSA-N -2 0 383.838 3.291 20 0 GGADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000534401487 567809964 /nfs/dbraw/zinc/80/99/64/567809964.db2.gz XRCBNSCIJGZVGU-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)n1 ZINC000048354253 570241379 /nfs/dbraw/zinc/24/13/79/570241379.db2.gz DSPUHSQPLBJTIR-UHFFFAOYSA-N -2 0 391.474 3.358 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(OC)cc1Cl ZINC000005135093 570423985 /nfs/dbraw/zinc/42/39/85/570423985.db2.gz JFTPYGGLLJVKKD-UHFFFAOYSA-N -2 0 399.852 3.473 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCCCC1 ZINC000013358909 570753588 /nfs/dbraw/zinc/75/35/88/570753588.db2.gz PZYXFJPRKRQPRG-UHFFFAOYSA-N -2 0 390.461 3.185 20 0 GGADRL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000170604830 570862220 /nfs/dbraw/zinc/86/22/20/570862220.db2.gz PBAHFUMKSZQKGB-LLVKDONJSA-N -2 0 399.852 3.253 20 0 GGADRL COc1ccc2nc(Cl)ccc2c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000170613976 570871454 /nfs/dbraw/zinc/87/14/54/570871454.db2.gz WDNMFLWPCVWGSC-UHFFFAOYSA-N -2 0 392.820 3.396 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])sc1Br ZINC000123565875 596919878 /nfs/dbraw/zinc/91/98/78/596919878.db2.gz IIBGBVQZVHOOPB-UHFFFAOYSA-N -2 0 390.280 3.247 20 0 GGADRL C/C(=C\C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccccc1Cl ZINC000736121778 599728124 /nfs/dbraw/zinc/72/81/24/599728124.db2.gz UGRFPMSLXLJVAR-CMDGGOBGSA-N -2 0 385.850 3.008 20 0 GGADRL C[C@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC(C)(C)C1 ZINC000736757161 599729028 /nfs/dbraw/zinc/72/90/28/599729028.db2.gz YQHYGGFJBWIDHX-ZFWWWQNUSA-N -2 0 381.494 3.183 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccc(F)cc3)c2)o1 ZINC000740187739 599736653 /nfs/dbraw/zinc/73/66/53/599736653.db2.gz SCAXKEFMCJGKFP-UHFFFAOYSA-N -2 0 391.376 3.497 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(SCc3cccnc3)cc2)o1 ZINC000740187732 599736690 /nfs/dbraw/zinc/73/66/90/599736690.db2.gz RQOKICLGYXZCOP-UHFFFAOYSA-N -2 0 390.442 3.466 20 0 GGADRL CCCN(CCC)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000737021172 599737766 /nfs/dbraw/zinc/73/77/66/599737766.db2.gz UFXCCCWSYHAANR-UHFFFAOYSA-N -2 0 394.449 3.041 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2N2CCc3ccccc32)o1 ZINC000740187804 599738264 /nfs/dbraw/zinc/73/82/64/599738264.db2.gz WQBNCRUDNCUSGQ-UHFFFAOYSA-N -2 0 384.413 3.473 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OCc3cccc(F)c3)c2)o1 ZINC000740187485 599738952 /nfs/dbraw/zinc/73/89/52/599738952.db2.gz NVTROUHZWXJMGI-UHFFFAOYSA-N -2 0 391.376 3.497 20 0 GGADRL Cn1ccnc1Sc1ccccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000739047234 599753669 /nfs/dbraw/zinc/75/36/69/599753669.db2.gz CYCYRWYPDILUTE-UHFFFAOYSA-N -2 0 395.487 3.132 20 0 GGADRL CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000736403430 599792768 /nfs/dbraw/zinc/79/27/68/599792768.db2.gz FJAXTAFLCBUYBO-SNVBAGLBSA-N -2 0 395.399 3.281 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)c1 ZINC000740235659 599800967 /nfs/dbraw/zinc/80/09/67/599800967.db2.gz IROMCJNTBOLFST-RTBURBONSA-N -2 0 395.436 3.147 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC000740235651 599801132 /nfs/dbraw/zinc/80/11/32/599801132.db2.gz IROMCJNTBOLFST-OALUTQOASA-N -2 0 395.436 3.147 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OCC(F)(F)F)cc1 ZINC000738654514 599801660 /nfs/dbraw/zinc/80/16/60/599801660.db2.gz BKWCZJADGXECKD-UHFFFAOYSA-N -2 0 389.351 3.435 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2)c(OCC(F)(F)F)c1 ZINC000740154397 599802134 /nfs/dbraw/zinc/80/21/34/599802134.db2.gz AKVYSTMUCOIOCX-UHFFFAOYSA-N -2 0 375.324 3.127 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)sc1Cc1cccc(C)c1 ZINC000738720604 599802271 /nfs/dbraw/zinc/80/22/71/599802271.db2.gz CYRHUWDJFOIOPT-UHFFFAOYSA-N -2 0 392.458 3.443 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)sc1Cc1ccc(F)cc1 ZINC000738864857 599802347 /nfs/dbraw/zinc/80/23/47/599802347.db2.gz IGNPJJLLUOPXRF-UHFFFAOYSA-N -2 0 396.421 3.273 20 0 GGADRL CCOCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000737176614 599850021 /nfs/dbraw/zinc/85/00/21/599850021.db2.gz HBRGTNHPYKHOFN-UHFFFAOYSA-N -2 0 399.852 3.254 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)C)cc1C(=O)[O-] ZINC000738993559 599851538 /nfs/dbraw/zinc/85/15/38/599851538.db2.gz ZWOYDLTVVDUHBZ-UHFFFAOYSA-N -2 0 383.447 3.377 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)s1 ZINC000740187726 599851581 /nfs/dbraw/zinc/85/15/81/599851581.db2.gz RCYVCOQWPYVQKJ-UHFFFAOYSA-N -2 0 390.442 3.221 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccnc1OCc1ccccc1 ZINC000675094136 599852026 /nfs/dbraw/zinc/85/20/26/599852026.db2.gz OFFLEUNTCBZRFP-UHFFFAOYSA-N -2 0 398.440 3.468 20 0 GGADRL COC(=O)c1cc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)cc(C(=O)[O-])c1 ZINC000737659223 599858701 /nfs/dbraw/zinc/85/87/01/599858701.db2.gz HOSWWVQCEJBUFD-HXUWFJFHSA-N -2 0 391.420 3.171 20 0 GGADRL COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c1 ZINC000737688026 599858820 /nfs/dbraw/zinc/85/88/20/599858820.db2.gz XRKDELATKMKWJZ-FQEVSTJZSA-N -2 0 391.420 3.171 20 0 GGADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000738473546 599859241 /nfs/dbraw/zinc/85/92/41/599859241.db2.gz SUCDALORIUHESJ-FQEVSTJZSA-N -2 0 377.437 3.458 20 0 GGADRL Cc1ccc(-c2nsc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])n2)s1 ZINC000738495805 599865066 /nfs/dbraw/zinc/86/50/66/599865066.db2.gz ZLXJLVWKAPXJDW-UHFFFAOYSA-N -2 0 399.450 3.213 20 0 GGADRL CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000736532602 599886009 /nfs/dbraw/zinc/88/60/09/599886009.db2.gz MQVZQYLDKDAHTN-UHFFFAOYSA-N -2 0 389.433 3.147 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1SC(=O)N(C)C ZINC000738276862 599908348 /nfs/dbraw/zinc/90/83/48/599908348.db2.gz FLUGXIMJSSVAKA-UHFFFAOYSA-N -2 0 394.474 3.268 20 0 GGADRL CC(C)Sc1ccccc1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736498873 599910684 /nfs/dbraw/zinc/91/06/84/599910684.db2.gz BQVIFTSCQPRRSV-UHFFFAOYSA-N -2 0 385.488 3.066 20 0 GGADRL CC(C)Sc1ccccc1C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000736498945 599912294 /nfs/dbraw/zinc/91/22/94/599912294.db2.gz OWYBMMJGPASSER-UHFFFAOYSA-N -2 0 379.459 3.004 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2)c(Br)cc1F ZINC000135325962 599923825 /nfs/dbraw/zinc/92/38/25/599923825.db2.gz GLEFJFOJVLRMSW-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC(=O)N(C)C ZINC000057785211 599924088 /nfs/dbraw/zinc/92/40/88/599924088.db2.gz CORMNOJORCULKW-UHFFFAOYSA-N -2 0 394.474 3.268 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(SC(=O)N(C)C)cc2)c1C(=O)[O-] ZINC000738968871 599924389 /nfs/dbraw/zinc/92/43/89/599924389.db2.gz FQPRWTDOKCIRDI-UHFFFAOYSA-N -2 0 398.462 3.169 20 0 GGADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000739823496 599924475 /nfs/dbraw/zinc/92/44/75/599924475.db2.gz HUTKKOCESWUUHT-UHFFFAOYSA-N -2 0 393.314 3.109 20 0 GGADRL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1OC ZINC000737870192 599925664 /nfs/dbraw/zinc/92/56/64/599925664.db2.gz FGWHZLYLOMBKPX-DAXSKMNVSA-N -2 0 395.408 3.050 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000737910270 599926563 /nfs/dbraw/zinc/92/65/63/599926563.db2.gz XJISICKFDNXIST-UHFFFAOYSA-N -2 0 396.446 3.322 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466270732 599926568 /nfs/dbraw/zinc/92/65/68/599926568.db2.gz YXAQMQLNPLCLNJ-UHFFFAOYSA-N -2 0 392.458 3.421 20 0 GGADRL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1 ZINC000737335777 599926637 /nfs/dbraw/zinc/92/66/37/599926637.db2.gz IYKCICQIYBLDHH-UHFFFAOYSA-N -2 0 398.824 3.026 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)s1 ZINC000740188057 599926950 /nfs/dbraw/zinc/92/69/50/599926950.db2.gz ZZMOQIKBTWXJIM-UHFFFAOYSA-N -2 0 390.442 3.221 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1OCC(F)F ZINC000738632754 599927247 /nfs/dbraw/zinc/92/72/47/599927247.db2.gz KFYOIKMFCCQSRC-UHFFFAOYSA-N -2 0 377.390 3.199 20 0 GGADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000484981584 599938302 /nfs/dbraw/zinc/93/83/02/599938302.db2.gz SSVAPLGSJGQDSD-GFCCVEGCSA-N -2 0 391.445 3.296 20 0 GGADRL Cc1cccc(C2(C(=O)[N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)CCCC2)c1 ZINC000738687008 599953930 /nfs/dbraw/zinc/95/39/30/599953930.db2.gz BDDLGMMDXBLVGL-UHFFFAOYSA-N -2 0 393.486 3.072 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n(-c2ccc(F)cc2)n1 ZINC000738463442 599966920 /nfs/dbraw/zinc/96/69/20/599966920.db2.gz DFHLFTWFDDJGDE-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1ccc(N2C(=O)N[C@@H](c3ccc(OCC(=O)[O-])cc3)C(C(=O)[O-])=C2C)cc1 ZINC000736750596 599983390 /nfs/dbraw/zinc/98/33/90/599983390.db2.gz KXHBHDHGOOHQNJ-IBGZPJMESA-N -2 0 396.399 3.088 20 0 GGADRL O=C([O-])CSCc1cccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)c1 ZINC000739872163 599986241 /nfs/dbraw/zinc/98/62/41/599986241.db2.gz HDFXWTHYSJJZJI-UHFFFAOYSA-N -2 0 399.468 3.203 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(O)c(Cl)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736750613 599987662 /nfs/dbraw/zinc/98/76/62/599987662.db2.gz LFYGGNIELAPXEY-MRXNPFEDSA-N -2 0 396.827 3.116 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2csc(C3CC3)n2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736745535 599987768 /nfs/dbraw/zinc/98/77/68/599987768.db2.gz CUOKVZSGAPPASH-OAHLLOKOSA-N -2 0 393.465 3.090 20 0 GGADRL CCC1=C(C(=O)[O-])[C@@H](c2ccc(F)c(F)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932796 599988096 /nfs/dbraw/zinc/98/80/96/599988096.db2.gz WQXHTBAAZJPXHL-QGZVFWFLSA-N -2 0 396.390 3.425 20 0 GGADRL CCC1=C(C(=O)[O-])[C@H](c2cccc(F)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736931553 599988351 /nfs/dbraw/zinc/98/83/51/599988351.db2.gz GFYMPUWDILYAQP-KRWDZBQOSA-N -2 0 378.400 3.286 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2c(F)cccc2Cl)NC(=O)N1CCCCC(=O)[O-] ZINC000736745385 599988658 /nfs/dbraw/zinc/98/86/58/599988658.db2.gz IIBKARKDLQQXQK-OAHLLOKOSA-N -2 0 384.791 3.159 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2cccc(F)c2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000736752579 599989030 /nfs/dbraw/zinc/98/90/30/599989030.db2.gz XEQDCRMICZNLKG-INIZCTEOSA-N -2 0 382.363 3.035 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2cnc(C(C)(C)C)s2)NC(=O)N1CCCCC(=O)[O-] ZINC000736752619 599989199 /nfs/dbraw/zinc/98/91/99/599989199.db2.gz YDDQTLUSSWSOQX-AWEZNQCLSA-N -2 0 395.481 3.120 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(F)cc2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736749263 599992668 /nfs/dbraw/zinc/99/26/68/599992668.db2.gz ADDYJUYEIRDINM-QGZVFWFLSA-N -2 0 384.363 3.149 20 0 GGADRL COc1ccc([C@@H]2NC(=O)N(Cc3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])cc1 ZINC000737987656 599993205 /nfs/dbraw/zinc/99/32/05/599993205.db2.gz XCWAOPRBMWESPY-SFHVURJKSA-N -2 0 396.399 3.019 20 0 GGADRL CCC1=C(C(=O)[O-])[C@@H](c2ccsc2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736931240 600004709 /nfs/dbraw/zinc/00/47/09/600004709.db2.gz DBRPAGWLLVIBOD-MRXNPFEDSA-N -2 0 386.429 3.462 20 0 GGADRL CCC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736932419 600004896 /nfs/dbraw/zinc/00/48/96/600004896.db2.gz QAZUOEYGVLQHDQ-GOSISDBHSA-N -2 0 380.400 3.400 20 0 GGADRL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000736991049 600004961 /nfs/dbraw/zinc/00/49/61/600004961.db2.gz DWTVFZLFMOIZDM-UHFFFAOYSA-N -2 0 396.490 3.119 20 0 GGADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000737940034 600006742 /nfs/dbraw/zinc/00/67/42/600006742.db2.gz PTZBTXVLDNEELC-UHFFFAOYSA-N -2 0 390.442 3.318 20 0 GGADRL Cc1ccc([C@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc1F ZINC000736750718 600016759 /nfs/dbraw/zinc/01/67/59/600016759.db2.gz MXOXFSGUSRAQIB-QGZVFWFLSA-N -2 0 378.400 3.204 20 0 GGADRL CC(C)[C@@H](Sc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736390649 600042950 /nfs/dbraw/zinc/04/29/50/600042950.db2.gz KRVXPOWVPUSRHV-CYBMUJFWSA-N -2 0 399.515 3.068 20 0 GGADRL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000517569736 600051050 /nfs/dbraw/zinc/05/10/50/600051050.db2.gz XOUBXSACETWCCK-UHFFFAOYSA-N -2 0 391.426 3.187 20 0 GGADRL CC(=O)Nc1cccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000736169362 600051230 /nfs/dbraw/zinc/05/12/30/600051230.db2.gz OJCMNPUMTIJZAO-UHFFFAOYSA-N -2 0 390.442 3.359 20 0 GGADRL CCOc1ccc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)sc2c1 ZINC000391784346 600051701 /nfs/dbraw/zinc/05/17/01/600051701.db2.gz HZLWIOGQFJNPEH-UHFFFAOYSA-N -2 0 384.460 3.256 20 0 GGADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2nc3ccc(Cl)cc3s2)cc1 ZINC000326765464 600051808 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379.434 3.290 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n(-c2ccccc2C)n1 ZINC000738463750 600054191 /nfs/dbraw/zinc/05/41/91/600054191.db2.gz UPAFJFOQKPRWIY-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000738632346 600054234 /nfs/dbraw/zinc/05/42/34/600054234.db2.gz CUSNXVYOVGEWMR-UHFFFAOYSA-N -2 0 386.454 3.142 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2Br)sc1C(=O)[O-] ZINC000738295495 600054466 /nfs/dbraw/zinc/05/44/66/600054466.db2.gz OCQGPYOEZOZJNC-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)sc1C(=O)[O-] ZINC000738251370 600054542 /nfs/dbraw/zinc/05/45/42/600054542.db2.gz KBNMCXCNKZFBQS-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000013301779 600054747 /nfs/dbraw/zinc/05/47/47/600054747.db2.gz PLSGRYOWYWFZTJ-UHFFFAOYSA-N -2 0 398.462 3.434 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nc(COc3ccccc3)cs2)c1 ZINC000740271741 600054773 /nfs/dbraw/zinc/05/47/73/600054773.db2.gz OXHSBQXDAPNKCZ-UHFFFAOYSA-N -2 0 396.471 3.283 20 0 GGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)sc2C1 ZINC000736937447 600054804 /nfs/dbraw/zinc/05/48/04/600054804.db2.gz GYOPBNMUYNUXIV-LLVKDONJSA-N -2 0 380.491 3.465 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n(Cc2ccccc2)n1 ZINC000738463785 600054986 /nfs/dbraw/zinc/05/49/86/600054986.db2.gz MJUMLFYZDJXDMO-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n(Cc2ccccc2)n1 ZINC000738463161 600055054 /nfs/dbraw/zinc/05/50/54/600055054.db2.gz AOTMHXQKJYXIMD-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3s2)cc1 ZINC000739826836 600055302 /nfs/dbraw/zinc/05/53/02/600055302.db2.gz VSCVOKWPZZUBTL-UHFFFAOYSA-N -2 0 398.849 3.214 20 0 GGADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000738604834 600055412 /nfs/dbraw/zinc/05/54/12/600055412.db2.gz OBYBLFXQZSSQSH-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000738605203 600055420 /nfs/dbraw/zinc/05/54/20/600055420.db2.gz RFIGEHQXIWJQEF-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)n(C(C)(C)C)n1 ZINC000736293794 600055503 /nfs/dbraw/zinc/05/55/03/600055503.db2.gz GKXTUPOZSHBAIR-UHFFFAOYSA-N -2 0 379.482 3.435 20 0 GGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])sc2C1 ZINC000736936898 600055560 /nfs/dbraw/zinc/05/55/60/600055560.db2.gz CQFWHDILANRSTF-SECBINFHSA-N -2 0 384.454 3.296 20 0 GGADRL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])sc2C1 ZINC000736936900 600055698 /nfs/dbraw/zinc/05/56/98/600055698.db2.gz CQFWHDILANRSTF-VIFPVBQESA-N -2 0 384.454 3.296 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n(-c2ccccc2F)n1 ZINC000738462764 600055990 /nfs/dbraw/zinc/05/59/90/600055990.db2.gz XJHPMWRWUSDRFC-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nc(Cc3ccccc3)cs2)c1 ZINC000740271417 600056208 /nfs/dbraw/zinc/05/62/08/600056208.db2.gz KLKDUJYUMJQIRV-UHFFFAOYSA-N -2 0 380.472 3.294 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2nc(Cc3ccccc3)cs2)c1 ZINC000740145010 600056245 /nfs/dbraw/zinc/05/62/45/600056245.db2.gz SSKIIODVRHYWNS-UHFFFAOYSA-N -2 0 392.433 3.372 20 0 GGADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000740033201 600056513 /nfs/dbraw/zinc/05/65/13/600056513.db2.gz GWTYIUODLOLRRN-UHFFFAOYSA-N -2 0 395.245 3.264 20 0 GGADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000466290439 600057075 /nfs/dbraw/zinc/05/70/75/600057075.db2.gz QTPWRIFVQKRATN-UHFFFAOYSA-N -2 0 379.434 3.290 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccnn2-c2cccc(Cl)c2)c1C(=O)[O-] ZINC000738969224 600057498 /nfs/dbraw/zinc/05/74/98/600057498.db2.gz JWRQMNADGXUJCD-UHFFFAOYSA-N -2 0 395.824 3.235 20 0 GGADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000740120071 600057630 /nfs/dbraw/zinc/05/76/30/600057630.db2.gz CZUOVFCVBSKUEE-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL O=C([O-])CCSCc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000739753971 600069389 /nfs/dbraw/zinc/06/93/89/600069389.db2.gz VRHIQSOHVHVQLG-UHFFFAOYSA-N -2 0 386.882 3.244 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-])O[C@H](C)C2 ZINC000737192770 600094251 /nfs/dbraw/zinc/09/42/51/600094251.db2.gz ABGHHPYIZPAAIK-SNVBAGLBSA-N -2 0 395.408 3.047 20 0 GGADRL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(=O)[O-])s1 ZINC000736169826 600097027 /nfs/dbraw/zinc/09/70/27/600097027.db2.gz YMGCKFFEUNAEQH-UHFFFAOYSA-N -2 0 397.478 3.032 20 0 GGADRL COCc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000484970121 600097175 /nfs/dbraw/zinc/09/71/75/600097175.db2.gz FQAOGFHNMMZKDG-UHFFFAOYSA-N -2 0 379.434 3.119 20 0 GGADRL CCCN1Cc2cccc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])c2C1 ZINC000737029891 600100192 /nfs/dbraw/zinc/10/01/92/600100192.db2.gz GCJFITKKMKARDV-UHFFFAOYSA-N -2 0 378.450 3.121 20 0 GGADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)nc1 ZINC000740146879 600100286 /nfs/dbraw/zinc/10/02/86/600100286.db2.gz WPJZVGNGIXTIQX-UHFFFAOYSA-N -2 0 380.397 3.041 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)c(C)s1 ZINC000738346196 600102291 /nfs/dbraw/zinc/10/22/91/600102291.db2.gz OIGUOWFTYCXFPV-UHFFFAOYSA-N -2 0 383.476 3.177 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)c1C(=O)[O-] ZINC000738462318 600103747 /nfs/dbraw/zinc/10/37/47/600103747.db2.gz LBRMQZJYJDQYRQ-UHFFFAOYSA-N -2 0 378.450 3.304 20 0 GGADRL O=C([O-])c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000740146993 600104369 /nfs/dbraw/zinc/10/43/69/600104369.db2.gz XSXXBPIBAFHWAG-UHFFFAOYSA-N -2 0 382.388 3.064 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c1C(=O)[O-] ZINC000738970970 600104374 /nfs/dbraw/zinc/10/43/74/600104374.db2.gz ZIYBVFYLVUYNHH-UHFFFAOYSA-N -2 0 378.450 3.386 20 0 GGADRL O=C([O-])c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000740143668 600104386 /nfs/dbraw/zinc/10/43/86/600104386.db2.gz 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O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCCCC2)c[nH]1 ZINC000833304016 600701552 /nfs/dbraw/zinc/70/15/52/600701552.db2.gz KFBITBJXXVPLFU-UHFFFAOYSA-N -2 0 383.857 3.157 20 0 GGADRL COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000066306372 600812360 /nfs/dbraw/zinc/81/23/60/600812360.db2.gz NJSVOMMGFLIQHL-UHFFFAOYSA-N -2 0 399.852 3.173 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)(C)C)cc1C(=O)[O-] ZINC000057121772 600812451 /nfs/dbraw/zinc/81/24/51/600812451.db2.gz CHOIQDMCLGOWTC-UHFFFAOYSA-N -2 0 390.461 3.022 20 0 GGADRL Cc1ccc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)cc1C(=O)[O-] ZINC000511095503 600813186 /nfs/dbraw/zinc/81/31/86/600813186.db2.gz KMQMJWXTNFJNKG-UHFFFAOYSA-N -2 0 377.418 3.316 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000588635293 600814876 /nfs/dbraw/zinc/81/48/76/600814876.db2.gz WRQISOSSNGJHET-UHFFFAOYSA-N -2 0 392.458 3.421 20 0 GGADRL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000832936102 600815624 /nfs/dbraw/zinc/81/56/24/600815624.db2.gz XXORTHLBPCGQIK-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3nc(CC(=O)[O-])cs3)n2)cc1 ZINC000736515593 600815663 /nfs/dbraw/zinc/81/56/63/600815663.db2.gz LQJORHYAEAVDIT-UHFFFAOYSA-N -2 0 386.433 3.037 20 0 GGADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000592711630 600816299 /nfs/dbraw/zinc/81/62/99/600816299.db2.gz CSZVNKYWYWLGRG-UHFFFAOYSA-N -2 0 379.434 3.290 20 0 GGADRL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)sc2C1 ZINC000829133972 600827845 /nfs/dbraw/zinc/82/78/45/600827845.db2.gz INUQBFNHGJVICQ-NSHDSACASA-N -2 0 380.491 3.465 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n(-c2ccc(F)cc2)n1 ZINC000832900024 600827880 /nfs/dbraw/zinc/82/78/80/600827880.db2.gz XYMOERPWWPWDOA-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2nc(/C=C/c3ccccc3)cs2)cc1C(=O)[O-] ZINC000833055263 600830436 /nfs/dbraw/zinc/83/04/36/600830436.db2.gz FIGLHXSLHSZRIX-BQYQJAHWSA-N -2 0 389.458 3.151 20 0 GGADRL O=C([O-])Cn1cnc(-c2nc3ccc(Oc4ccc(Cl)cc4)cc3c(=O)[n-]2)n1 ZINC000833277083 600846528 /nfs/dbraw/zinc/84/65/28/600846528.db2.gz IVIZARPKEWFRMT-UHFFFAOYSA-N -2 0 397.778 3.124 20 0 GGADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000740075272 600887828 /nfs/dbraw/zinc/88/78/28/600887828.db2.gz HHWAWUHJYCQNHK-UHFFFAOYSA-N -2 0 377.752 3.440 20 0 GGADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c1 ZINC000740075673 600889032 /nfs/dbraw/zinc/88/90/32/600889032.db2.gz MMWYXCCMDRHIFP-UHFFFAOYSA-N -2 0 389.820 3.296 20 0 GGADRL COC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000737679485 600889673 /nfs/dbraw/zinc/88/96/73/600889673.db2.gz ZSIOAIWSPUHGRV-UHFFFAOYSA-N -2 0 399.424 3.434 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)(C)C)ccc1C(=O)[O-] ZINC000506707940 600889994 /nfs/dbraw/zinc/88/99/94/600889994.db2.gz OMVNJXBXVPSIEQ-UHFFFAOYSA-N -2 0 390.461 3.022 20 0 GGADRL Cc1cc(S(=O)(=O)Nc2c(C(=O)[O-])cccc2C(C)C)ccc1C(=O)[O-] ZINC000506721734 600890269 /nfs/dbraw/zinc/89/02/69/600890269.db2.gz HSWOMFJXIIKGOH-UHFFFAOYSA-N -2 0 377.418 3.316 20 0 GGADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)c1 ZINC000740075267 600891193 /nfs/dbraw/zinc/89/11/93/600891193.db2.gz GXQLVXFNDIRIPO-UHFFFAOYSA-N -2 0 391.836 3.084 20 0 GGADRL COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506674525 600892187 /nfs/dbraw/zinc/89/21/87/600892187.db2.gz IIRKSZTTWWLAFQ-UHFFFAOYSA-N -2 0 399.852 3.173 20 0 GGADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1 ZINC000740075338 600893929 /nfs/dbraw/zinc/89/39/29/600893929.db2.gz LEVDVXTZFUHYDA-UHFFFAOYSA-N -2 0 390.200 3.191 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1 ZINC000174049138 600896008 /nfs/dbraw/zinc/89/60/08/600896008.db2.gz SAMBXLYMGFIUHM-UHFFFAOYSA-N -2 0 377.315 3.430 20 0 GGADRL Cc1ccc(-n2[n-]c(C(=O)Nc3cc(C(=O)[O-])ccc3OC(C)C)cc2=O)cc1 ZINC000832909873 600915476 /nfs/dbraw/zinc/91/54/76/600915476.db2.gz KJUYWKCAVCUNBT-UHFFFAOYSA-N -2 0 395.415 3.212 20 0 GGADRL CC(C)(C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC000826080674 600944375 /nfs/dbraw/zinc/94/43/75/600944375.db2.gz FAZOAJNNDBUJRM-UHFFFAOYSA-N -2 0 397.452 3.321 20 0 GGADRL CCOc1ccc2nc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)sc2c1 ZINC000391665127 600974324 /nfs/dbraw/zinc/97/43/24/600974324.db2.gz KTQDZSHNPSYMRF-UHFFFAOYSA-N -2 0 384.460 3.256 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n(-c2ccc(Cl)cc2)n1 ZINC000832899970 600974580 /nfs/dbraw/zinc/97/45/80/600974580.db2.gz WYCBECIATYBHOG-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3c(cc(F)c(F)c3F)s2)cs1 ZINC000833306478 600976299 /nfs/dbraw/zinc/97/62/99/600976299.db2.gz XAVZARWWHBBIAV-UHFFFAOYSA-N -2 0 394.377 3.274 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)sc1C(=O)[O-] ZINC000832956466 600976621 /nfs/dbraw/zinc/97/66/21/600976621.db2.gz CSCGOMMZFCHUSO-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3c(cccc3C(F)(F)F)s2)c[nH]1 ZINC000833306073 600977415 /nfs/dbraw/zinc/97/74/15/600977415.db2.gz BIQDDMKCORLPTL-UHFFFAOYSA-N -2 0 391.352 3.142 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3c(ccc(Cl)c3Cl)s2)c[nH]1 ZINC000833306467 600978339 /nfs/dbraw/zinc/97/83/39/600978339.db2.gz WFUZXCVUPSVDSM-UHFFFAOYSA-N -2 0 392.245 3.430 20 0 GGADRL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000832976197 600982873 /nfs/dbraw/zinc/98/28/73/600982873.db2.gz IGYPMKIIYQULAV-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(/C=C/c3ccccc3)cs2)c[nH]1 ZINC000833306424 600983227 /nfs/dbraw/zinc/98/32/27/600983227.db2.gz RQBNBVVTORQPLI-VOTSOKGWSA-N -2 0 375.431 3.141 20 0 GGADRL Cc1ccc(-n2nc(C(C)C)cc2[N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000832909430 600984885 /nfs/dbraw/zinc/98/48/85/600984885.db2.gz MWDWKBKTGVKQHW-UHFFFAOYSA-N -2 0 388.449 3.131 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccnn1-c1ccc(Cl)cc1 ZINC000832853349 600988371 /nfs/dbraw/zinc/98/83/71/600988371.db2.gz XCRGQOKIPJLHAB-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)c1 ZINC000833296851 600988678 /nfs/dbraw/zinc/98/86/78/600988678.db2.gz AIDSPWBPDWVVGL-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccnn2-c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC000832904734 600988825 /nfs/dbraw/zinc/98/88/25/600988825.db2.gz ZSHLFXSWRRCSBE-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n(C)n1 ZINC000832973401 600994868 /nfs/dbraw/zinc/99/48/68/600994868.db2.gz AKRHYDCSQGRZKU-UHFFFAOYSA-N -2 0 385.445 3.203 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)nn2C)cc1C(=O)[O-] ZINC000832956052 600995012 /nfs/dbraw/zinc/99/50/12/600995012.db2.gz XXAKJPRUASSASO-UHFFFAOYSA-N -2 0 385.445 3.203 20 0 GGADRL Cc1c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000460430111 601045440 /nfs/dbraw/zinc/04/54/40/601045440.db2.gz SVEJNQKDMVJCLN-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1 ZINC000740144296 601050815 /nfs/dbraw/zinc/05/08/15/601050815.db2.gz OBPADGUVZFHUKN-UHFFFAOYSA-N -2 0 377.315 3.430 20 0 GGADRL CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1cccc(Cl)c1 ZINC000826676815 601142056 /nfs/dbraw/zinc/14/20/56/601142056.db2.gz KUIIBSWYXSEYRU-INIZCTEOSA-N -2 0 395.864 3.283 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000831945508 601150921 /nfs/dbraw/zinc/15/09/21/601150921.db2.gz JFFWKDVJWXKZLY-UHFFFAOYSA-N -2 0 397.352 3.154 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cc1 ZINC000831945896 601200683 /nfs/dbraw/zinc/20/06/83/601200683.db2.gz LIORQHNRGKQWFQ-UHFFFAOYSA-N -2 0 396.490 3.246 20 0 GGADRL CCN(CC)c1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)cc1 ZINC000829687265 601200752 /nfs/dbraw/zinc/20/07/52/601200752.db2.gz JIGTVZGVDOSNHL-UHFFFAOYSA-N -2 0 384.479 3.102 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nc2c(cc(C)cc2C)s1 ZINC000831949974 601200871 /nfs/dbraw/zinc/20/08/71/601200871.db2.gz JRBXVVFASZIQNS-UHFFFAOYSA-N -2 0 398.487 3.482 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nc2c(s1)c(C)ccc2C ZINC000831950375 601201113 /nfs/dbraw/zinc/20/11/13/601201113.db2.gz RUKZNFPFFNMUMA-UHFFFAOYSA-N -2 0 398.487 3.482 20 0 GGADRL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000829372961 601201582 /nfs/dbraw/zinc/20/15/82/601201582.db2.gz ACJAIDGZUMSBMP-FLIBITNWSA-N -2 0 377.466 3.280 20 0 GGADRL CCCCOc1cccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)c1 ZINC000829422056 601202643 /nfs/dbraw/zinc/20/26/43/601202643.db2.gz OBSMSSJKRNGNFL-UHFFFAOYSA-N -2 0 385.463 3.435 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)cc1Cl ZINC000830085575 601202708 /nfs/dbraw/zinc/20/27/08/601202708.db2.gz YTBFEOANICZKRN-UHFFFAOYSA-N -2 0 391.854 3.308 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(OCC(C)C)c1 ZINC000831946828 601202968 /nfs/dbraw/zinc/20/29/68/601202968.db2.gz ZDHCYAKYEKMEIS-UHFFFAOYSA-N -2 0 385.463 3.291 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000831946845 601202981 /nfs/dbraw/zinc/20/29/81/601202981.db2.gz ZOOWGSDRNBIPOM-UHFFFAOYSA-N -2 0 385.463 3.181 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1c(C)cccc1OC(F)F ZINC000831939391 601203733 /nfs/dbraw/zinc/20/37/33/601203733.db2.gz LNGBYBGOAJHQLP-UHFFFAOYSA-N -2 0 393.389 3.166 20 0 GGADRL CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000830000487 601211135 /nfs/dbraw/zinc/21/11/35/601211135.db2.gz IHDZSYRUWYFSTN-SNVBAGLBSA-N -2 0 378.252 3.289 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)sc1Cc1ccccc1 ZINC000833003207 601229666 /nfs/dbraw/zinc/22/96/66/601229666.db2.gz QSODVQRFRMTNNC-UHFFFAOYSA-N -2 0 392.458 3.443 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2cc(C3CC3)nn2-c2ccccc2)cc1C(=O)[O-] ZINC000833026735 601230533 /nfs/dbraw/zinc/23/05/33/601230533.db2.gz JBEGUEOEBKKSKN-UHFFFAOYSA-N -2 0 387.417 3.150 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N3CCC(C)CC3)cc2)cc1C(=O)[O-] ZINC000833029064 601230791 /nfs/dbraw/zinc/23/07/91/601230791.db2.gz AKMQPJGHIJKFQR-UHFFFAOYSA-N -2 0 378.450 3.323 20 0 GGADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1F ZINC000833295378 601231902 /nfs/dbraw/zinc/23/19/02/601231902.db2.gz SWEOHIKRMGWYEP-CYBMUJFWSA-N -2 0 395.305 3.245 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c(C(F)(F)F)c1 ZINC000832413261 601232108 /nfs/dbraw/zinc/23/21/08/601232108.db2.gz MYVULPYTHFITDF-UHFFFAOYSA-N -2 0 379.312 3.114 20 0 GGADRL CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000828612201 601232780 /nfs/dbraw/zinc/23/27/80/601232780.db2.gz QLYMLCNWRYFBBR-UHFFFAOYSA-N -2 0 394.449 3.005 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)cc1C(=O)[O-] ZINC000833029119 601233279 /nfs/dbraw/zinc/23/32/79/601233279.db2.gz BTLAIADRLYIPTD-UHFFFAOYSA-N -2 0 385.397 3.318 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000432206059 601234750 /nfs/dbraw/zinc/23/47/50/601234750.db2.gz 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ZINC000016125025 601358035 /nfs/dbraw/zinc/35/80/35/601358035.db2.gz DACILOHFXJLFKJ-UHFFFAOYSA-N -2 0 392.458 3.421 20 0 GGADRL CC(C)n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000320062446 601358444 /nfs/dbraw/zinc/35/84/44/601358444.db2.gz UZPJTPONMPKTIR-UHFFFAOYSA-N -2 0 378.237 3.270 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCCCC3)ccc1F ZINC000833306071 601359229 /nfs/dbraw/zinc/35/92/29/601359229.db2.gz BEPHEIDVKLEXLW-UHFFFAOYSA-N -2 0 384.454 3.440 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)ccc1F ZINC000833306456 601359490 /nfs/dbraw/zinc/35/94/90/601359490.db2.gz VCMOYZLDCGWZHR-UHFFFAOYSA-N -2 0 392.433 3.372 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3n2C)c1C ZINC000832866653 601360314 /nfs/dbraw/zinc/36/03/14/601360314.db2.gz PMPSSODCHDTREP-UHFFFAOYSA-N -2 0 393.852 3.343 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccnc2N2CCCCC2)c1C ZINC000832866104 601360535 /nfs/dbraw/zinc/36/05/35/601360535.db2.gz BQKUJXDAVMGDDR-UHFFFAOYSA-N 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ZINC000833344198 601366106 /nfs/dbraw/zinc/36/61/06/601366106.db2.gz FYTKBRYPUATUEU-UHFFFAOYSA-N -2 0 388.470 3.427 20 0 GGADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000833344635 601384334 /nfs/dbraw/zinc/38/43/34/601384334.db2.gz FBBRKKAWOWRTRX-UHFFFAOYSA-N -2 0 396.730 3.133 20 0 GGADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)c1 ZINC000826924893 601387483 /nfs/dbraw/zinc/38/74/83/601387483.db2.gz UYYJUWKGHXTRNI-UHFFFAOYSA-N -2 0 397.522 3.048 20 0 GGADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3ccc(N(C)C(=O)[O-])cc3)n2)c1 ZINC000832935227 601387831 /nfs/dbraw/zinc/38/78/31/601387831.db2.gz CQZNRTCURVDYHO-UHFFFAOYSA-N -2 0 384.367 3.392 20 0 GGADRL CN(C(=O)[O-])c1ccc(NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])cc1 ZINC000830519096 601387849 /nfs/dbraw/zinc/38/78/49/601387849.db2.gz LNYXRJPQPWVISU-UHFFFAOYSA-N -2 0 388.330 3.223 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)c[nH]1 ZINC000267483865 601388130 /nfs/dbraw/zinc/38/81/30/601388130.db2.gz 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ZINC000833747409 605586400 /nfs/dbraw/zinc/58/64/00/605586400.db2.gz XVQVYWCDVOUTBF-LBPRGKRZSA-N -2 0 395.506 3.329 20 0 GGADRL COc1cc(O)cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000833728303 605596880 /nfs/dbraw/zinc/59/68/80/605596880.db2.gz ADJHDVDLGHXLNK-UHFFFAOYSA-N -2 0 379.415 3.115 20 0 GGADRL CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2Cl)c1 ZINC000826230458 609530729 /nfs/dbraw/zinc/53/07/29/609530729.db2.gz VELGOQYYUMHLTQ-UHFFFAOYSA-N -2 0 395.897 3.351 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C)sc2c1 ZINC000054294863 1406684868 /nfs/dbraw/zinc/68/48/68/1406684868.db2.gz XUFAAEZNMNPWBA-UHFFFAOYSA-N -2 0 392.458 3.041 20 0 GGADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013263431 1399077701 /nfs/dbraw/zinc/07/77/01/1399077701.db2.gz PTBPVEDJXXKREY-UHFFFAOYSA-N -2 0 391.188 3.401 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)sc1C(=O)[O-] ZINC000055574129 1407009060 /nfs/dbraw/zinc/00/90/60/1407009060.db2.gz 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ZINC000057123799 1407527091 /nfs/dbraw/zinc/52/70/91/1407527091.db2.gz WRWAGKBNAVCCOD-HNNXBMFYSA-N -2 0 391.445 3.052 20 0 GGADRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000057125699 1407529671 /nfs/dbraw/zinc/52/96/71/1407529671.db2.gz IAJBMNKXDDWVQD-UHFFFAOYSA-N -2 0 380.809 3.109 20 0 GGADRL COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000060839399 1408040107 /nfs/dbraw/zinc/04/01/07/1408040107.db2.gz GIBKWDOPHMQAEN-UHFFFAOYSA-N -2 0 391.445 3.404 20 0 GGADRL COc1cc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc([N+](=O)[O-])c1[O-] ZINC000062692749 1408290624 /nfs/dbraw/zinc/29/06/24/1408290624.db2.gz DVLYXHCCAYBLKH-MLRMMBSGSA-N -2 0 387.344 3.057 20 0 GGADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(N)=O ZINC000063182253 1408312820 /nfs/dbraw/zinc/31/28/20/1408312820.db2.gz KLJUOAKKJFHSDY-UHFFFAOYSA-N -2 0 396.852 3.061 20 0 GGADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000063849973 1408428708 /nfs/dbraw/zinc/42/87/08/1408428708.db2.gz ICLHURSBMMJQQR-UHFFFAOYSA-N -2 0 377.466 3.397 20 0 GGADRL O=C(CCC(F)(F)F)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822950448 1428350700 /nfs/dbraw/zinc/35/07/00/1428350700.db2.gz OLPCVEQEMGBBDD-UHFFFAOYSA-N -2 0 382.371 3.195 20 0 GGADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)cn1 ZINC000066813828 1408920086 /nfs/dbraw/zinc/92/00/86/1408920086.db2.gz HVTOHSZKNYZLGU-UHFFFAOYSA-N -2 0 392.264 3.444 20 0 GGADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000095439172 1410311208 /nfs/dbraw/zinc/31/12/08/1410311208.db2.gz SZKSBWKMZYRGMV-UHFFFAOYSA-N -2 0 393.314 3.352 20 0 GGADRL COc1ccccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000110275653 1411842363 /nfs/dbraw/zinc/84/23/63/1411842363.db2.gz RXTOSTDXTSAFDK-UHFFFAOYSA-N -2 0 379.434 3.048 20 0 GGADRL O=C(NC[C@H]1CC=CCC1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC000123516517 1414759482 /nfs/dbraw/zinc/75/94/82/1414759482.db2.gz OUGZNSFPOSBGOS-ZDUSSCGKSA-N -2 0 392.502 3.341 20 0 GGADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826289292 1428906991 /nfs/dbraw/zinc/90/69/91/1428906991.db2.gz UEWOTPFFMZMZQX-UHFFFAOYSA-N -2 0 384.248 3.283 20 0 GGADRL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1OC(C)(C)C ZINC000737224984 1429030296 /nfs/dbraw/zinc/03/02/96/1429030296.db2.gz JXKYDJYLGGOOFI-UHFFFAOYSA-N -2 0 387.465 3.153 20 0 GGADRL CC(C)CCn1ccc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)n1 ZINC000130339620 1416360972 /nfs/dbraw/zinc/36/09/72/1416360972.db2.gz NYDPGFQXOQCNSA-UHFFFAOYSA-N -2 0 389.836 3.221 20 0 GGADRL Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(C)c(F)c(C(=O)[O-])c3)c2C)o1 ZINC000135405495 1417215126 /nfs/dbraw/zinc/21/51/26/1417215126.db2.gz CSURXOUJHCZNPX-UHFFFAOYSA-N -2 0 393.396 3.233 20 0 GGADRL Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(C)c(C)c(C(=O)[O-])c3)c2C)o1 ZINC000135409299 1417216615 /nfs/dbraw/zinc/21/66/15/1417216615.db2.gz CAOMJTPIQIAUSF-UHFFFAOYSA-N -2 0 389.433 3.402 20 0 GGADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C)cc1C(=O)[O-] ZINC000137781351 1417395125 /nfs/dbraw/zinc/39/51/25/1417395125.db2.gz YTGGVOCABRBZQO-UHFFFAOYSA-N -2 0 379.482 3.299 20 0 GGADRL O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1nc(-c2ccc(O)cc2)cs1 ZINC000826402049 1429219567 /nfs/dbraw/zinc/21/95/67/1429219567.db2.gz LZDXSKBNJRCWBX-YFHOEESVSA-N -2 0 390.428 3.348 20 0 GGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1C(=O)[O-] ZINC000178954219 1429228571 /nfs/dbraw/zinc/22/85/71/1429228571.db2.gz CGTYWSUNHYZGJV-UHFFFAOYSA-N -2 0 375.381 3.023 20 0 GGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1 ZINC000178954231 1429228390 /nfs/dbraw/zinc/22/83/90/1429228390.db2.gz JBNICCAZERPRDF-UHFFFAOYSA-N -2 0 375.381 3.023 20 0 GGADRL Cc1cc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000154982940 1423099120 /nfs/dbraw/zinc/09/91/20/1423099120.db2.gz WYSQEMMFYQTCQA-UHFFFAOYSA-N -2 0 393.403 3.023 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c1Cl ZINC000156294105 1423762555 /nfs/dbraw/zinc/76/25/55/1423762555.db2.gz IBZJBSAHKVCHJI-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1 ZINC000156301223 1423766088 /nfs/dbraw/zinc/76/60/88/1423766088.db2.gz BUQNJDCARUCYSO-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)c(C)c1C(=O)[O-] ZINC000156303823 1423766212 /nfs/dbraw/zinc/76/62/12/1423766212.db2.gz AULAKTXLBABVOW-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c1 ZINC000156302864 1423766371 /nfs/dbraw/zinc/76/63/71/1423766371.db2.gz ANUDSFXFMVMYJA-UHFFFAOYSA-N -2 0 396.415 3.372 20 0 GGADRL CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3F)cc21 ZINC000156312207 1423772323 /nfs/dbraw/zinc/77/23/23/1423772323.db2.gz CPGQZGBLQCUKGZ-UHFFFAOYSA-N -2 0 377.397 3.003 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)c(C)c1C(=O)[O-] ZINC000156355539 1423794848 /nfs/dbraw/zinc/79/48/48/1423794848.db2.gz YBAOGWUXXTYBNP-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)c2C)o1 ZINC000156367828 1423800183 /nfs/dbraw/zinc/80/01/83/1423800183.db2.gz LDYGWMDYSOWTJR-UHFFFAOYSA-N -2 0 393.396 3.233 20 0 GGADRL Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)c2C)o1 ZINC000156367969 1423800260 /nfs/dbraw/zinc/80/02/60/1423800260.db2.gz KIAWTDNZNNLLRI-UHFFFAOYSA-N -2 0 389.433 3.402 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cnn1-c1ccccc1 ZINC000156369197 1423800514 /nfs/dbraw/zinc/80/05/14/1423800514.db2.gz VOXDVBYDPDKBJA-UHFFFAOYSA-N -2 0 385.445 3.297 20 0 GGADRL O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)Nc1cccc(Cl)c1[O-] ZINC000737832250 1423856097 /nfs/dbraw/zinc/85/60/97/1423856097.db2.gz HLXLVVQFZXRJLF-UHFFFAOYSA-N -2 0 387.827 3.414 20 0 GGADRL Cc1cccc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826299403 1424379732 /nfs/dbraw/zinc/37/97/32/1424379732.db2.gz CRPSEQMSBDWGQV-UHFFFAOYSA-N -2 0 397.382 3.136 20 0 GGADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1C ZINC000160153642 1424581381 /nfs/dbraw/zinc/58/13/81/1424581381.db2.gz XIJUNGRDHYHQLO-UHFFFAOYSA-N -2 0 389.836 3.283 20 0 GGADRL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000180119372 1429745017 /nfs/dbraw/zinc/74/50/17/1429745017.db2.gz RDEAPVBQOYKXOC-UHFFFAOYSA-N -2 0 382.388 3.064 20 0 GGADRL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]c1nc(-c2ccsc2)ns1 ZINC000737801247 1424776353 /nfs/dbraw/zinc/77/63/53/1424776353.db2.gz MWAQQVRQBLNASG-WAYWQWQTSA-N -2 0 381.446 3.099 20 0 GGADRL Cc1nc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)sc1Cc1ccccc1 ZINC000822449743 1424993938 /nfs/dbraw/zinc/99/39/38/1424993938.db2.gz NDNVBZYMURAXCZ-UHFFFAOYSA-N -2 0 390.472 3.404 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000735929332 1425155184 /nfs/dbraw/zinc/15/51/84/1425155184.db2.gz WRNQCIYHJASDFF-UHFFFAOYSA-N -2 0 389.419 3.134 20 0 GGADRL Cc1nnc([N-]C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)s1 ZINC000737521568 1425632104 /nfs/dbraw/zinc/63/21/04/1425632104.db2.gz PUOHJEFMMYRDOT-UHFFFAOYSA-N -2 0 398.477 3.077 20 0 GGADRL O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(Cl)c(Cl)c1O ZINC000738236438 1425822441 /nfs/dbraw/zinc/82/24/41/1425822441.db2.gz IZAYKCSXGIJCBK-UHFFFAOYSA-N -2 0 383.166 3.375 20 0 GGADRL O=C(CCn1c(=O)c2ccccc2[n-]c1=S)Nc1cccc(Cl)c1[O-] ZINC000172356262 1426013404 /nfs/dbraw/zinc/01/34/04/1426013404.db2.gz FTDCSCWSDOEKJG-UHFFFAOYSA-N -2 0 375.837 3.073 20 0 GGADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1C ZINC000737399367 1426616774 /nfs/dbraw/zinc/61/67/74/1426616774.db2.gz JDHXBQFIMQMJGY-UHFFFAOYSA-N -2 0 397.382 3.303 20 0 GGADRL CCCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821049541 1426723252 /nfs/dbraw/zinc/72/32/52/1426723252.db2.gz KYWWMAJZDWXZLG-GOSISDBHSA-N -2 0 393.513 3.058 20 0 GGADRL O=C([N-]c1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1)[C@@H]1CC12CCC2 ZINC000823383747 1427016260 /nfs/dbraw/zinc/01/62/60/1427016260.db2.gz ZAIUFXLOEHXIBK-LBPRGKRZSA-N -2 0 399.505 3.139 20 0 GGADRL Cc1cc(C(=O)Nc2ccc3nc(C(C)C)sc3c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000174317604 1427099429 /nfs/dbraw/zinc/09/94/29/1427099429.db2.gz QJRIAIPJUDVHTR-UHFFFAOYSA-N -2 0 395.444 3.318 20 0 GGADRL Cc1c2nc(NC(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)sc2ccc1F ZINC000822034375 1427128095 /nfs/dbraw/zinc/12/80/95/1427128095.db2.gz AHFOCAYVGUVWGB-SNVBAGLBSA-N -2 0 398.423 3.330 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1-c1nn[n-]n1 ZINC000826304170 1427161013 /nfs/dbraw/zinc/16/10/13/1427161013.db2.gz ZUVFUCMDXHRPIU-UHFFFAOYSA-N -2 0 397.432 3.291 20 0 GGADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1-c1nn[n-]n1 ZINC000820178496 1429907425 /nfs/dbraw/zinc/90/74/25/1429907425.db2.gz RRSXPYGZVHBDID-UHFFFAOYSA-N -2 0 399.885 3.170 20 0 GGADRL O=C([O-])Nc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc(C(F)(F)F)c1 ZINC000833284547 1430164446 /nfs/dbraw/zinc/16/44/46/1430164446.db2.gz VMNFDGFZKZNCKT-UHFFFAOYSA-N -2 0 392.297 3.228 20 0 GGADRL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]c1nnc(CC2CCCCC2)s1 ZINC000737798100 1430177667 /nfs/dbraw/zinc/17/76/67/1430177667.db2.gz GJYOMXVHXLNUBN-KHPPLWFESA-N -2 0 395.492 3.493 20 0 GGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000181675420 1430339730 /nfs/dbraw/zinc/33/97/30/1430339730.db2.gz RAVDADCOXMOCCH-UHFFFAOYSA-N -2 0 381.278 3.190 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2sc(-c3ccccc3)nc2C)cc1C(=O)[O-] ZINC000181758386 1430353513 /nfs/dbraw/zinc/35/35/13/1430353513.db2.gz HBCBVPJNZVYZGH-UHFFFAOYSA-N -2 0 391.474 3.439 20 0 GGADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000181772792 1430356635 /nfs/dbraw/zinc/35/66/35/1430356635.db2.gz YQGPUMZIDVOPBP-JTQLQIEISA-N -2 0 380.372 3.215 20 0 GGADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000181773452 1430356733 /nfs/dbraw/zinc/35/67/33/1430356733.db2.gz PNOONTSLDBSGBH-AWEZNQCLSA-N -2 0 385.445 3.251 20 0 GGADRL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000181787649 1430359964 /nfs/dbraw/zinc/35/99/64/1430359964.db2.gz RBFWAECBXUASDS-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1 ZINC000182486091 1430475876 /nfs/dbraw/zinc/47/58/76/1430475876.db2.gz SYAKQSJGFDCHTG-UHFFFAOYSA-N -2 0 380.328 3.119 20 0 GGADRL CC[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000183568324 1430743298 /nfs/dbraw/zinc/74/32/98/1430743298.db2.gz ABISZZIJDKOUJQ-GFCCVEGCSA-N -2 0 397.258 3.343 20 0 GGADRL Cc1c(Cl)cccc1NC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000186424997 1431414814 /nfs/dbraw/zinc/41/48/14/1431414814.db2.gz WGNQNFSVRJVJOT-UHFFFAOYSA-N -2 0 385.811 3.006 20 0 GGADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn([C@@H](C)C2CC2)c1 ZINC000187717938 1431803426 /nfs/dbraw/zinc/80/34/26/1431803426.db2.gz JQRTWLNGEWKCQX-LBPRGKRZSA-N -2 0 377.466 3.477 20 0 GGADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000187717954 1431803479 /nfs/dbraw/zinc/80/34/79/1431803479.db2.gz JQRTWLNGEWKCQX-GFCCVEGCSA-N -2 0 377.466 3.477 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cnn1-c1ccccc1C ZINC000189458092 1432117776 /nfs/dbraw/zinc/11/77/76/1432117776.db2.gz FIFDERLUZXZNQO-UHFFFAOYSA-N -2 0 399.472 3.171 20 0 GGADRL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C)nc2Cl)cc1)C(=O)[O-] ZINC000193342693 1432982743 /nfs/dbraw/zinc/98/27/43/1432982743.db2.gz RSQUHMCAULDZKC-ZDUSSCGKSA-N -2 0 382.869 3.498 20 0 GGADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F ZINC000193495369 1433009040 /nfs/dbraw/zinc/00/90/40/1433009040.db2.gz MHBBNHOCBSDOKN-UHFFFAOYSA-N -2 0 397.186 3.474 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cnn1C1CCCC1 ZINC000194222273 1433142024 /nfs/dbraw/zinc/14/20/24/1433142024.db2.gz IWKRGWYIPLAUKT-UHFFFAOYSA-N -2 0 381.429 3.253 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)nc2C)sc1C(=O)[O-] ZINC000222847131 1433366548 /nfs/dbraw/zinc/36/65/48/1433366548.db2.gz ZKMBLMQHWVASRT-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL Cc1cc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000253546938 1433868764 /nfs/dbraw/zinc/86/87/64/1433868764.db2.gz IERRLUDPGSMTRW-NFAWXSAZSA-N -2 0 378.432 3.151 20 0 GGADRL CC(C)(CCC(=O)[O-])Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cn1 ZINC000263377665 1434004556 /nfs/dbraw/zinc/00/45/56/1434004556.db2.gz BTUQRZBKKZIWDO-UHFFFAOYSA-N -2 0 399.419 3.216 20 0 GGADRL CCCC(=O)Nc1cccc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1C ZINC000266861450 1434382740 /nfs/dbraw/zinc/38/27/40/1434382740.db2.gz SCRUSYYKGJOUPK-UHFFFAOYSA-N -2 0 395.419 3.044 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC000267502726 1434441636 /nfs/dbraw/zinc/44/16/36/1434441636.db2.gz LXADZTPGZZAFHW-UHFFFAOYSA-N -2 0 393.461 3.126 20 0 GGADRL COC(C)(C)c1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1 ZINC000273410000 1434987019 /nfs/dbraw/zinc/98/70/19/1434987019.db2.gz MHKPNKYZOXWCCO-UHFFFAOYSA-N -2 0 395.462 3.186 20 0 GGADRL COc1cc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)ccc1OCCC(=O)[O-] ZINC000273939791 1435030325 /nfs/dbraw/zinc/03/03/25/1435030325.db2.gz MBWXPWJZEDPKNE-FNORWQNLSA-N -2 0 386.404 3.331 20 0 GGADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000276107815 1435191427 /nfs/dbraw/zinc/19/14/27/1435191427.db2.gz WXINDGVEPSLTPP-UHFFFAOYSA-N -2 0 397.474 3.051 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2C)cc1C(=O)[O-] ZINC000277586981 1435314447 /nfs/dbraw/zinc/31/44/47/1435314447.db2.gz LFFKBNMNAQZMFG-UHFFFAOYSA-N -2 0 393.465 3.204 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(OC(C)C)c1 ZINC000278185016 1435367703 /nfs/dbraw/zinc/36/77/03/1435367703.db2.gz DCTSBIGJHQPLEF-UHFFFAOYSA-N -2 0 393.461 3.219 20 0 GGADRL O=C(CCc1ccc(-c2ccccc2)o1)Nc1cc(-c2nnn[n-]2)ccc1O ZINC000822974558 1441869892 /nfs/dbraw/zinc/86/98/92/1441869892.db2.gz RMDXEEIQVGZSMP-UHFFFAOYSA-N -2 0 375.388 3.404 20 0 GGADRL CC(C)Oc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1-c1nn[n-]n1 ZINC000820161629 1442025776 /nfs/dbraw/zinc/02/57/76/1442025776.db2.gz YYSVFYIZXAEUNI-UHFFFAOYSA-N -2 0 387.440 3.018 20 0 GGADRL CC(C)[C@@H](C)C(=O)[N-]c1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735704109 1442220692 /nfs/dbraw/zinc/22/06/92/1442220692.db2.gz ZXLVXPMNLQOIIG-SNVBAGLBSA-N -2 0 389.510 3.241 20 0 GGADRL CC(C)(CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)C(=O)[O-] ZINC000735664689 1442316573 /nfs/dbraw/zinc/31/65/73/1442316573.db2.gz ODIXLYAURCXJDD-UHFFFAOYSA-N -2 0 381.392 3.098 20 0 GGADRL CC(C)c1nnc([N-]C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)s1 ZINC000824364736 1443180181 /nfs/dbraw/zinc/18/01/81/1443180181.db2.gz SFORNLGUDJAKRG-UHFFFAOYSA-N -2 0 384.252 3.401 20 0 GGADRL O=C(CC(c1ccccc1)c1ccccc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822936675 1443316619 /nfs/dbraw/zinc/31/66/19/1443316619.db2.gz WYWRCIYMTDUZDM-UHFFFAOYSA-N -2 0 376.445 3.484 20 0 GGADRL O=S(=O)([N-]c1ccc(F)cc1-c1nn[n-]n1)c1cc(Cl)sc1Cl ZINC000826492960 1443334586 /nfs/dbraw/zinc/33/45/86/1443334586.db2.gz NELFPKQZCCVKIS-UHFFFAOYSA-N -2 0 394.240 3.175 20 0 GGADRL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccnc1-c1ccccc1 ZINC000826256108 1443384199 /nfs/dbraw/zinc/38/41/99/1443384199.db2.gz VFYHHTZQNAFSFH-UHFFFAOYSA-N -2 0 392.444 3.038 20 0 GGADRL CCCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821051179 1443713684 /nfs/dbraw/zinc/71/36/84/1443713684.db2.gz YZOLCADGVRMYPA-SFHVURJKSA-N -2 0 393.513 3.058 20 0 GGADRL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826284114 1443775981 /nfs/dbraw/zinc/77/59/81/1443775981.db2.gz KPZWXXVLLPTVBY-UHFFFAOYSA-N -2 0 397.382 3.303 20 0 GGADRL O=C(CSc1cc(Cl)ccc1Cl)Nc1ncc(-c2nn[n-]n2)s1 ZINC000823061048 1443808771 /nfs/dbraw/zinc/80/87/71/1443808771.db2.gz TTXXKWQBDIGPDQ-UHFFFAOYSA-N -2 0 387.277 3.361 20 0 GGADRL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1C ZINC000822224175 1443899688 /nfs/dbraw/zinc/89/96/88/1443899688.db2.gz YUPPLWNMDFCBDK-UHFFFAOYSA-N -2 0 397.382 3.303 20 0 GGADRL CCCn1ccc2ccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)cc21 ZINC000736501271 1446400218 /nfs/dbraw/zinc/40/02/18/1446400218.db2.gz BZMYLBMPKZFLCS-UHFFFAOYSA-N -2 0 382.449 3.032 20 0 GGADRL CCCSc1nsc([N-]C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821138894 1446567025 /nfs/dbraw/zinc/56/70/25/1446567025.db2.gz JMFPCCTULYGZGJ-VIFPVBQESA-N -2 0 390.498 3.103 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c1-c1nn[n-]n1 ZINC000826303844 1446673065 /nfs/dbraw/zinc/67/30/65/1446673065.db2.gz IHMSWUAWFGRTQG-UHFFFAOYSA-N -2 0 398.473 3.099 20 0 GGADRL CC[C@H](C)CN(C)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736322564 1446837353 /nfs/dbraw/zinc/83/73/53/1446837353.db2.gz LYUDPTFMGVZHBB-LBPRGKRZSA-N -2 0 385.497 3.424 20 0 GGADRL C[C@](CC(=O)[O-])(C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000820225188 1446886064 /nfs/dbraw/zinc/88/60/64/1446886064.db2.gz CRJOGQXYBOMFJJ-GOSISDBHSA-N -2 0 375.404 3.006 20 0 GGADRL Cc1ccc(-c2nnc([N-]C(=O)Cc3cccc(-c4nn[n-]n4)c3)s2)c(C)c1 ZINC000822214179 1446944831 /nfs/dbraw/zinc/94/48/31/1446944831.db2.gz SLYAODGPNSGDDF-UHFFFAOYSA-N -2 0 391.460 3.183 20 0 GGADRL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000820001244 1446984832 /nfs/dbraw/zinc/98/48/32/1446984832.db2.gz GMYMVLVPSHNGLB-UHFFFAOYSA-N -2 0 396.432 3.093 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cccc1-c1nn[n-]n1 ZINC000822128957 1449407457 /nfs/dbraw/zinc/40/74/57/1449407457.db2.gz GQZMXXGLCCPXFZ-UHFFFAOYSA-N -2 0 398.473 3.099 20 0 GGADRL Cc1cscc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826321455 1449657789 /nfs/dbraw/zinc/65/77/89/1449657789.db2.gz FXCXMNKHILAAFT-UHFFFAOYSA-N -2 0 389.384 3.056 20 0 GGADRL Cc1sc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)nc1-c1ccccc1 ZINC000822562568 1449816505 /nfs/dbraw/zinc/81/65/05/1449816505.db2.gz BPLHPOIYQPRXLJ-UHFFFAOYSA-N -2 0 376.445 3.480 20 0 GGADRL Cc1ccc(-c2nsc([N-]C(=O)CCc3ccc(-c4nnn[n-]4)cc3)n2)s1 ZINC000737303454 1449860404 /nfs/dbraw/zinc/86/04/04/1449860404.db2.gz LLOOIYMWAPYZQG-UHFFFAOYSA-N -2 0 397.489 3.326 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cccc1-c1nn[n-]n1 ZINC000822121055 1450103654 /nfs/dbraw/zinc/10/36/54/1450103654.db2.gz ALRZILRAICABBW-UHFFFAOYSA-N -2 0 384.248 3.283 20 0 GGADRL O=C(Nc1ncc(-c2nn[n-]n2)s1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000823380442 1450146770 /nfs/dbraw/zinc/14/67/70/1450146770.db2.gz XYTLUSFVORNWDR-UHFFFAOYSA-N -2 0 380.355 3.012 20 0 GGADRL CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825722397 1450152440 /nfs/dbraw/zinc/15/24/40/1450152440.db2.gz DYOKXFSKFFRQBB-UHFFFAOYSA-N -2 0 391.884 3.446 20 0 GGADRL CCOC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000323943948 971063402 /nfs/dbraw/zinc/06/34/02/971063402.db2.gz KYAJFGRWAAIWDT-UHFFFAOYSA-N -2 0 389.476 3.102 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnc(Cl)cc1C ZINC000326298980 971280967 /nfs/dbraw/zinc/28/09/67/971280967.db2.gz DOFHEQXEWMMUCX-UHFFFAOYSA-N -2 0 391.232 3.204 20 0 GGADRL O=C([O-])COc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000326326372 971284068 /nfs/dbraw/zinc/28/40/68/971284068.db2.gz WQSQKVJQPRNWOC-UHFFFAOYSA-N -2 0 394.207 3.397 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c1 ZINC000326978455 971352352 /nfs/dbraw/zinc/35/23/52/971352352.db2.gz JEIDURITKUYIAY-UHFFFAOYSA-N -2 0 380.853 3.439 20 0 GGADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000327004737 971355182 /nfs/dbraw/zinc/35/51/82/971355182.db2.gz LAEGMVXTCFGXKA-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1nc2ccccc2s1 ZINC000327054175 971360873 /nfs/dbraw/zinc/36/08/73/971360873.db2.gz YGVAVSAHGYGCSZ-UHFFFAOYSA-N -2 0 398.849 3.457 20 0 GGADRL CCOC(=O)c1ccsc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000327082283 971364421 /nfs/dbraw/zinc/36/44/21/971364421.db2.gz GYPUCUJNGLPLQB-UHFFFAOYSA-N -2 0 389.838 3.077 20 0 GGADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1F ZINC000327100646 971366634 /nfs/dbraw/zinc/36/66/34/971366634.db2.gz XJSOVXRDHIBEHE-UHFFFAOYSA-N -2 0 392.723 3.025 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000327372443 971393409 /nfs/dbraw/zinc/39/34/09/971393409.db2.gz SCYIPRKAWPFFPS-UHFFFAOYSA-N -2 0 380.809 3.028 20 0 GGADRL O=C([O-])CCc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000327395959 971395644 /nfs/dbraw/zinc/39/56/44/971395644.db2.gz SQPFWBSCUOZORM-UHFFFAOYSA-N -2 0 384.797 3.066 20 0 GGADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000327541182 971408237 /nfs/dbraw/zinc/40/82/37/971408237.db2.gz RDVYCSAZQMRPDA-UHFFFAOYSA-N -2 0 390.364 3.446 20 0 GGADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000327611693 971412947 /nfs/dbraw/zinc/41/29/47/971412947.db2.gz KVQVKMDXWNKBLS-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000327841146 971428820 /nfs/dbraw/zinc/42/88/20/971428820.db2.gz HFUZAJNGSQTNOW-UHFFFAOYSA-N -2 0 375.324 3.213 20 0 GGADRL O=C([O-])c1c(F)ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1F ZINC000327864902 971429691 /nfs/dbraw/zinc/42/96/91/971429691.db2.gz VOWDEHSTUBVENZ-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1ccc(N2CCCCCC2)cc1 ZINC000328351300 971465238 /nfs/dbraw/zinc/46/52/38/971465238.db2.gz YEOLBOJQMDSGIF-UHFFFAOYSA-N -2 0 381.479 3.023 20 0 GGADRL Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)o1 ZINC000361762987 971533795 /nfs/dbraw/zinc/53/37/95/971533795.db2.gz LUNVARPCKSXCGT-UHFFFAOYSA-N -2 0 393.808 3.197 20 0 GGADRL CC[C@]1(C(=O)[O-])CCCN(C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])C1 ZINC001589605998 949269435 /nfs/dbraw/zinc/26/94/35/949269435.db2.gz YRFJGIQIMUGCDY-NRFANRHFSA-N -2 0 385.464 3.418 20 0 GGADRL O=C([O-])C1CC2(C1)CC[C@H](CNC(=O)c1cc(Cl)c3ccccc3c1[O-])O2 ZINC001594749042 953406756 /nfs/dbraw/zinc/40/67/56/953406756.db2.gz FZCSQSIMKLGGFD-MQRPBKCYSA-N -2 0 389.835 3.341 20 0 GGADRL CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)s1)c1ccccc1 ZINC000630560204 953859223 /nfs/dbraw/zinc/85/92/23/953859223.db2.gz AVCXPVVSCAZRSF-YUELXQCFSA-N -2 0 388.493 3.076 20 0 GGADRL CC[C@@H](c1n[n-]c(=NC(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)s1)c1ccccc1 ZINC000630560203 953859428 /nfs/dbraw/zinc/85/94/28/953859428.db2.gz AVCXPVVSCAZRSF-NWANDNLSSA-N -2 0 388.493 3.076 20 0 GGADRL O=C([O-])[C@H]1CN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])Cc2ccccc21 ZINC001594953855 954969910 /nfs/dbraw/zinc/96/99/10/954969910.db2.gz PSZQQPAAVFZMJN-INIZCTEOSA-N -2 0 397.818 3.056 20 0 GGADRL CCC(CC)(CNC(=O)c1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC001589498009 955024259 /nfs/dbraw/zinc/02/42/59/955024259.db2.gz HZNFXEFKUPNFND-UHFFFAOYSA-N -2 0 378.650 3.429 20 0 GGADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000387449695 972123896 /nfs/dbraw/zinc/12/38/96/972123896.db2.gz QFEWHKDQVPPRLA-UHFFFAOYSA-N -2 0 382.246 3.319 20 0 GGADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc(Cl)ccc1Cl ZINC000852736350 955845688 /nfs/dbraw/zinc/84/56/88/955845688.db2.gz MBNMQKMMJQAYCG-VXGBXAGGSA-N -2 0 399.196 3.090 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1OCC ZINC000007230555 956881845 /nfs/dbraw/zinc/88/18/45/956881845.db2.gz CCOGSNLHQHLICT-UHFFFAOYSA-N -2 0 383.397 3.122 20 0 GGADRL O=C([O-])C1(NC(=O)c2nn(-c3ccc(Cl)cc3)cc2[O-])CCCCCC1 ZINC001594724061 956985045 /nfs/dbraw/zinc/98/50/45/956985045.db2.gz HZIIGMPMVPUDGH-UHFFFAOYSA-N -2 0 377.828 3.139 20 0 GGADRL O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc(Br)c(F)cc2[O-])c2ccccc21 ZINC001594727318 957015462 /nfs/dbraw/zinc/01/54/62/957015462.db2.gz RJWTUTVCDHAHRW-YGRLFVJLSA-N -2 0 394.196 3.337 20 0 GGADRL O=C([O-])C[C@@H]1CCCCN1C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000909494309 957022597 /nfs/dbraw/zinc/02/25/97/957022597.db2.gz QTRXQCSVISSNHY-NSHDSACASA-N -2 0 397.353 3.066 20 0 GGADRL CCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000013342721 957029684 /nfs/dbraw/zinc/02/96/84/957029684.db2.gz IPMQRWLUZIFXQM-UHFFFAOYSA-N -2 0 397.836 3.406 20 0 GGADRL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)n1 ZINC000026538908 957161092 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376.206 3.198 20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000161470959 959185155 /nfs/dbraw/zinc/18/51/55/959185155.db2.gz CXULJYQCWCMEIX-UHFFFAOYSA-N -2 0 385.241 3.020 20 0 GGADRL Cc1cscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000161610062 959187193 /nfs/dbraw/zinc/18/71/93/959187193.db2.gz KHZRIPXGLUSWFY-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000190390399 959512982 /nfs/dbraw/zinc/51/29/82/959512982.db2.gz AWJWDEBCCVIELP-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccn2)c1 ZINC000190838953 959525729 /nfs/dbraw/zinc/52/57/29/959525729.db2.gz PXPGGPYQSFAKMN-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cnn1C1CCCC1 ZINC000194222313 959621152 /nfs/dbraw/zinc/62/11/52/959621152.db2.gz GZAGMDAOBMKYHV-UHFFFAOYSA-N -2 0 385.392 3.084 20 0 GGADRL CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cc21 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3.013 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccnc2N2CCCCC2)c1 ZINC001187545561 960544300 /nfs/dbraw/zinc/54/43/00/960544300.db2.gz OUJGQSVZWFGQMH-UHFFFAOYSA-N -2 0 395.868 3.224 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3ccccn3n2)c(Cl)cc1Cl ZINC001192409464 960558722 /nfs/dbraw/zinc/55/87/22/960558722.db2.gz LIROUZQOSSMWER-UHFFFAOYSA-N -2 0 386.216 3.140 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1Cl ZINC001195234374 960569368 /nfs/dbraw/zinc/56/93/68/960569368.db2.gz JBDNZANZEMWZCZ-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC001237692591 960631007 /nfs/dbraw/zinc/63/10/07/960631007.db2.gz PPEWEHXSTYTHON-UHFFFAOYSA-N -2 0 395.234 3.429 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)cc(F)c1F ZINC001255889354 960659376 /nfs/dbraw/zinc/65/93/76/960659376.db2.gz CZZZRWBAFNEABN-UHFFFAOYSA-N -2 0 385.392 3.166 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1F ZINC001259212208 960660862 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GGADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])n1 ZINC001574330835 960886777 /nfs/dbraw/zinc/88/67/77/960886777.db2.gz RPEDFEYHEKYTBC-ZDUSSCGKSA-N -2 0 377.416 3.035 20 0 GGADRL Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3OC(C)C)cc2o1 ZINC001321652615 961001576 /nfs/dbraw/zinc/00/15/76/961001576.db2.gz KACBIKBFRIRFBV-UHFFFAOYSA-N -2 0 390.417 3.422 20 0 GGADRL COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC001325819638 961061313 /nfs/dbraw/zinc/06/13/13/961061313.db2.gz FRRDGHPXODTRBJ-SNVBAGLBSA-N -2 0 385.388 3.037 20 0 GGADRL COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001325819634 961062007 /nfs/dbraw/zinc/06/20/07/961062007.db2.gz FRRDGHPXODTRBJ-JTQLQIEISA-N -2 0 385.388 3.037 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])n2)c1 ZINC001588969655 962666402 /nfs/dbraw/zinc/66/64/02/962666402.db2.gz QFNBDMBFRFXJCT-SFHVURJKSA-N -2 0 393.443 3.127 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000266804440 962759124 /nfs/dbraw/zinc/75/91/24/962759124.db2.gz SUPGBZDAPDZYTK-VWLOTQADSA-N -2 0 399.490 3.134 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2C)c1C(=O)[O-] ZINC000314143489 963716983 /nfs/dbraw/zinc/71/69/83/963716983.db2.gz PUGZCFYLCCFHLG-UHFFFAOYSA-N -2 0 388.239 3.466 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)sc1Cl ZINC000318186510 970416149 /nfs/dbraw/zinc/41/61/49/970416149.db2.gz QDDTULMBOLVTCG-UHFFFAOYSA-N -2 0 380.900 3.375 20 0 GGADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc(Cl)cc(Cl)c1 ZINC001605974617 972995199 /nfs/dbraw/zinc/99/51/99/972995199.db2.gz TZMCCCGMAPKINJ-NWDGAFQWSA-N -2 0 399.196 3.090 20 0 GGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)cc1)C(=O)[O-] ZINC000410058382 973927868 /nfs/dbraw/zinc/92/78/68/973927868.db2.gz KAZKJPKOAUOHBA-ZDUSSCGKSA-N -2 0 389.473 3.464 20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427199122 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375.406 3.088 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@]3(C(=O)[O-])CC[C@H](C)CC3)n2)cc1 ZINC001591943650 976482293 /nfs/dbraw/zinc/48/22/93/976482293.db2.gz OIZZEQRGWHBRCW-HNSKJHPRSA-N -2 0 385.464 3.465 20 0 GGADRL CC(C)c1cccc(-c2ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])o2)c1 ZINC001591983100 976601012 /nfs/dbraw/zinc/60/10/12/976601012.db2.gz HMDILCKQIWYLGD-OLZOCXBDSA-N -2 0 393.461 3.239 20 0 GGADRL CC(C)c1cccc(-c2ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])o2)c1 ZINC001591983102 976601266 /nfs/dbraw/zinc/60/12/66/976601266.db2.gz HMDILCKQIWYLGD-STQMWFEESA-N -2 0 393.461 3.239 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)n2)c1 ZINC001591983146 976602834 /nfs/dbraw/zinc/60/28/34/976602834.db2.gz JXDIZEQEWUEMGH-UHFFFAOYSA-N -2 0 381.388 3.357 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c3ccncc3)n2)c1 ZINC001591983810 976604249 /nfs/dbraw/zinc/60/42/49/976604249.db2.gz SBFOYGGJGKKVFE-KRWDZBQOSA-N -2 0 394.431 3.042 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H](CC(=O)[O-])c3ccncc3)n2)c1 ZINC001591983813 976604334 /nfs/dbraw/zinc/60/43/34/976604334.db2.gz SBFOYGGJGKKVFE-QGZVFWFLSA-N -2 0 394.431 3.042 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N(CCC(F)(F)F)CC(=O)[O-])n2)c1 ZINC001591984125 976606638 /nfs/dbraw/zinc/60/66/38/976606638.db2.gz YZMLGVXTVMRWCG-UHFFFAOYSA-N -2 0 399.369 3.181 20 0 GGADRL CC(C)c1nc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])sc1C(=O)[O-] ZINC001592030405 976736249 /nfs/dbraw/zinc/73/62/49/976736249.db2.gz OPIRMLZWFQAFPF-UHFFFAOYSA-N -2 0 390.396 3.247 20 0 GGADRL CC(C)n1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001592149602 977018875 /nfs/dbraw/zinc/01/88/75/977018875.db2.gz KUDUAEPTDSQKKU-UHFFFAOYSA-N -2 0 393.396 3.362 20 0 GGADRL CC(C)n1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001592149892 977020032 /nfs/dbraw/zinc/02/00/32/977020032.db2.gz PPHWWPYYYHZGOC-UHFFFAOYSA-N -2 0 389.433 3.152 20 0 GGADRL CC(C)n1nccc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001592169683 977067572 /nfs/dbraw/zinc/06/75/72/977067572.db2.gz OTFFEVVJYCXIEK-UHFFFAOYSA-N -2 0 378.237 3.270 20 0 GGADRL C[C@@](CC(=O)[O-])(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001592277953 977558371 /nfs/dbraw/zinc/55/83/71/977558371.db2.gz KQYINUWJJMWVGR-FVJLSDCUSA-N -2 0 385.391 3.385 20 0 GGADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC001592424401 978045618 /nfs/dbraw/zinc/04/56/18/978045618.db2.gz RBQWUVWAKJDXAF-VIFPVBQESA-N -3 0 399.371 3.042 20 0 GGADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cc1 ZINC001592424857 978047720 /nfs/dbraw/zinc/04/77/20/978047720.db2.gz YNVDJCIXKJLTGJ-SNVBAGLBSA-N -3 0 397.836 3.417 20 0 GGADRL C[C@H](CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001592439947 978094558 /nfs/dbraw/zinc/09/45/58/978094558.db2.gz RFDPORKMYFKSBU-SECBINFHSA-N -2 0 395.399 3.281 20 0 GGADRL C[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001592465240 978205054 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394.424 3.228 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cnn1CCC(C)C ZINC000755028971 978696709 /nfs/dbraw/zinc/69/67/09/978696709.db2.gz DTKGNGACYIWDHT-UHFFFAOYSA-N -2 0 383.445 3.130 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2scnc2C2CC2)c(Cl)cc1F ZINC000762476423 978720168 /nfs/dbraw/zinc/72/01/68/978720168.db2.gz QUOGSDGEQGMLFU-UHFFFAOYSA-N -2 0 376.818 3.312 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c2ncccc12 ZINC000766373400 978724340 /nfs/dbraw/zinc/72/43/40/978724340.db2.gz KZISOKCUKHRHCD-UHFFFAOYSA-N -2 0 390.392 3.272 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cnn1CC(C)C ZINC000766332057 978724379 /nfs/dbraw/zinc/72/43/79/978724379.db2.gz NJYLHLRHEOKQQZ-UHFFFAOYSA-N -2 0 389.836 3.139 20 0 GGADRL Cc1ccc(F)c([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)c1 ZINC000769622405 978742468 /nfs/dbraw/zinc/74/24/68/978742468.db2.gz ZFGBBYHIRQEVQQ-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2ccccc2F)s1 ZINC000769620371 978742527 /nfs/dbraw/zinc/74/25/27/978742527.db2.gz ANRXIHKKJLQGGC-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2F)s1 ZINC000769620409 978742584 /nfs/dbraw/zinc/74/25/84/978742584.db2.gz CAHRCAGPLMDSHN-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)c(O)c1 ZINC000770632193 978743890 /nfs/dbraw/zinc/74/38/90/978743890.db2.gz DCVVQQOVATYGAJ-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000776551545 978752304 /nfs/dbraw/zinc/75/23/04/978752304.db2.gz HYJQFAQEBAYLBS-UHFFFAOYSA-N -2 0 389.342 3.086 20 0 GGADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)s1 ZINC000776740719 978775249 /nfs/dbraw/zinc/77/52/49/978775249.db2.gz AOPNLYRAGUTXTE-UHFFFAOYSA-N -2 0 376.406 3.181 20 0 GGADRL O=C([O-])c1csc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC000782201072 978791719 /nfs/dbraw/zinc/79/17/19/978791719.db2.gz PFHPZSUTWSOAFF-VZUCSPMQSA-N -2 0 376.777 3.118 20 0 GGADRL C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1 ZINC000783861162 978794004 /nfs/dbraw/zinc/79/40/04/978794004.db2.gz LEKKEKYMCFNUND-VIFPVBQESA-N -2 0 399.371 3.042 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)ccc1C(=O)[O-] ZINC000788490142 978797513 /nfs/dbraw/zinc/79/75/13/978797513.db2.gz XEKWMACPFXQGDJ-UHFFFAOYSA-N -2 0 383.809 3.050 20 0 GGADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1F ZINC000790067811 978798620 /nfs/dbraw/zinc/79/86/20/978798620.db2.gz FQFFQQKXGXTAMU-UHFFFAOYSA-N -2 0 383.706 3.395 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1C(F)(F)F ZINC000790348477 978799082 /nfs/dbraw/zinc/79/90/82/978799082.db2.gz WPJAKAZEGAUAHF-UHFFFAOYSA-N -2 0 393.314 3.352 20 0 GGADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000793353857 978804265 /nfs/dbraw/zinc/80/42/65/978804265.db2.gz RUKGIZYHQZELCV-UHFFFAOYSA-N -2 0 387.392 3.090 20 0 GGADRL CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793353909 978804318 /nfs/dbraw/zinc/80/43/18/978804318.db2.gz STMZNVBGESQQPZ-UHFFFAOYSA-N -2 0 399.421 3.053 20 0 GGADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)n[nH]1 ZINC000793404302 978806887 /nfs/dbraw/zinc/80/68/87/978806887.db2.gz GQALWEHKGZNCNX-UHFFFAOYSA-N -2 0 389.408 3.332 20 0 GGADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000793401228 978807032 /nfs/dbraw/zinc/80/70/32/978807032.db2.gz PJQWEGPVZDZZGY-UHFFFAOYSA-N -2 0 393.314 3.374 20 0 GGADRL COc1ccc2c(c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C)CCC2 ZINC000793431164 978809346 /nfs/dbraw/zinc/80/93/46/978809346.db2.gz WUFXWMAUAIFPDE-UHFFFAOYSA-N -2 0 379.409 3.130 20 0 GGADRL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(OC)ccc2C(=O)[O-])c1 ZINC000794581232 978813096 /nfs/dbraw/zinc/81/30/96/978813096.db2.gz JKKDLPMQEZVPCW-UHFFFAOYSA-N -2 0 397.836 3.440 20 0 GGADRL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC)cc2C(=O)[O-])c1 ZINC000794593028 978813711 /nfs/dbraw/zinc/81/37/11/978813711.db2.gz PJQTXDQUIXHZPJ-UHFFFAOYSA-N 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ZINC000830087604 979012660 /nfs/dbraw/zinc/01/26/60/979012660.db2.gz NBJCKYOTDRHIBQ-UHFFFAOYSA-N -2 0 383.857 3.323 20 0 GGADRL C[C@](CNC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC001592697362 979153681 /nfs/dbraw/zinc/15/36/81/979153681.db2.gz SVFCMCPRLJRVCC-JOCHJYFZSA-N -2 0 393.395 3.237 20 0 GGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)c1C1CC1 ZINC001595029058 979155746 /nfs/dbraw/zinc/15/57/46/979155746.db2.gz TXYUFUNUMTYSLW-SECBINFHSA-N -2 0 399.494 3.301 20 0 GGADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000833478185 979191349 /nfs/dbraw/zinc/19/13/49/979191349.db2.gz CLGQLCNULJMPGF-SNVBAGLBSA-N -2 0 379.638 3.429 20 0 GGADRL CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)C(C)C ZINC001595036673 979198896 /nfs/dbraw/zinc/19/88/96/979198896.db2.gz IFCZGLSKWHBEFO-SNVBAGLBSA-N -2 0 395.399 3.281 20 0 GGADRL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595126707 979520728 /nfs/dbraw/zinc/52/07/28/979520728.db2.gz ZDAVLWXUKDKIBR-LLVKDONJSA-N -2 0 389.420 3.074 20 0 GGADRL CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595126708 979520904 /nfs/dbraw/zinc/52/09/04/979520904.db2.gz ZDAVLWXUKDKIBR-NSHDSACASA-N -2 0 389.420 3.074 20 0 GGADRL O=C([O-])[C@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccc(Br)cc1 ZINC000851604679 979528949 /nfs/dbraw/zinc/52/89/49/979528949.db2.gz DCEJCZPHZNKVKB-QMMMGPOBSA-N -2 0 390.102 3.063 20 0 GGADRL C[C@H](Cc1ccc(NC(=O)[C@](C)(CC(=O)[O-])c2ccsc2)cc1)C(=O)[O-] ZINC001592857438 979663926 /nfs/dbraw/zinc/66/39/26/979663926.db2.gz JCQIEBOSFJBFKP-CWTRNNRKSA-N -2 0 375.446 3.382 20 0 GGADRL C[C@@H](Cc1ccc(NC(=O)[C@@](C)(CC(=O)[O-])c2ccsc2)cc1)C(=O)[O-] ZINC001592857437 979664048 /nfs/dbraw/zinc/66/40/48/979664048.db2.gz JCQIEBOSFJBFKP-BUXKBTBVSA-N -2 0 375.446 3.382 20 0 GGADRL C[C@@H](Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1)C(=O)[O-] ZINC001592881973 979750901 /nfs/dbraw/zinc/75/09/01/979750901.db2.gz CXJXDECGTXIXJM-JTQLQIEISA-N -2 0 397.836 3.102 20 0 GGADRL CC[C@@](NC(=O)c1nn(-c2ccccc2)cc1[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595277182 980304474 /nfs/dbraw/zinc/30/44/74/980304474.db2.gz QAQZSMSYBRDJAF-FQEVSTJZSA-N -2 0 399.834 3.351 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000901817585 980537451 /nfs/dbraw/zinc/53/74/51/980537451.db2.gz WBUIHJIDJPOMAZ-UHFFFAOYSA-N -2 0 391.323 3.093 20 0 GGADRL CC[C@H]1CCc2nc([N-]S(=O)(=O)Cc3ccc(C(=O)[O-])cc3)sc2C1 ZINC001595470506 981169120 /nfs/dbraw/zinc/16/91/20/981169120.db2.gz JGKFXHSRPRMVMO-NSHDSACASA-N -2 0 380.491 3.298 20 0 GGADRL CCC[C@H](C)C[C@H](NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-])C(=O)[O-] ZINC001595571555 981479977 /nfs/dbraw/zinc/47/99/77/981479977.db2.gz SNCPLRPMADVKJO-JQWIXIFHSA-N -2 0 399.490 3.157 20 0 GGADRL CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)c2C1 ZINC001595580475 981517821 /nfs/dbraw/zinc/51/78/21/981517821.db2.gz IBNQGYMWZZBVTN-GFCCVEGCSA-N -2 0 378.450 3.283 20 0 GGADRL CCC[C@H]1CCc2nc([N-]S(=O)(=O)c3cnc(C)c(C(=O)[O-])c3)sc2C1 ZINC001595623386 981720566 /nfs/dbraw/zinc/72/05/66/981720566.db2.gz MFUJXFZFKOJTKL-NSHDSACASA-N -2 0 395.506 3.251 20 0 GGADRL CC[C@@](C)([N-]S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C)C(F)(F)F ZINC001594853731 982116087 /nfs/dbraw/zinc/11/60/87/982116087.db2.gz JHMBYKCSUHRICJ-SNVBAGLBSA-N -2 0 379.809 3.417 20 0 GGADRL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC001595727584 982352651 /nfs/dbraw/zinc/35/26/51/982352651.db2.gz PIDKLHQXUVIRFS-UHFFFAOYSA-N -2 0 383.445 3.328 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001595748437 982419175 /nfs/dbraw/zinc/41/91/75/982419175.db2.gz ZUIIUSBXRVMEBN-UHFFFAOYSA-N -2 0 391.445 3.220 20 0 GGADRL CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001594922040 982473572 /nfs/dbraw/zinc/47/35/72/982473572.db2.gz WFDJOLKXWMSEEV-UPONEAKYSA-N -2 0 391.770 3.433 20 0 GGADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595891177 982924086 /nfs/dbraw/zinc/92/40/86/982924086.db2.gz NPLIXTLYFZUFJF-UHFFFAOYSA-N -2 0 375.406 3.049 20 0 GGADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1oc(C(=O)[O-])cc1C ZINC001595891641 982927234 /nfs/dbraw/zinc/92/72/34/982927234.db2.gz XSTYGNNQFJACEX-UHFFFAOYSA-N -2 0 375.406 3.049 20 0 GGADRL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2c(C)nn(CCC(=O)[O-])c2C)cc1 ZINC001595014419 982951861 /nfs/dbraw/zinc/95/18/61/982951861.db2.gz RPPXVCBLCODESB-LBPRGKRZSA-N -2 0 379.482 3.289 20 0 GGADRL CCCOc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C(=O)[O-])cs2)cc1 ZINC001595965199 983165278 /nfs/dbraw/zinc/16/52/78/983165278.db2.gz GWFWDXBLGDBSDO-UHFFFAOYSA-N -2 0 384.479 3.095 20 0 GGADRL CCCOc1ccc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C3CC3)s2)cc1 ZINC001595965826 983169183 /nfs/dbraw/zinc/16/91/83/983169183.db2.gz VXIMCNXCKVRIDC-UHFFFAOYSA-N -2 0 382.463 3.308 20 0 GGADRL CCCOc1ccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])cc1OC ZINC001595966841 983174691 /nfs/dbraw/zinc/17/46/91/983174691.db2.gz SVZVWEHMUMHQDY-UHFFFAOYSA-N -2 0 385.463 3.353 20 0 GGADRL CCCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n(C)n1 ZINC001596058734 983366535 /nfs/dbraw/zinc/36/65/35/983366535.db2.gz PVPURPZJHOJYKL-UHFFFAOYSA-N -2 0 392.264 3.178 20 0 GGADRL CCCc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC001596068503 983381726 /nfs/dbraw/zinc/38/17/26/983381726.db2.gz HGUPQHXHXKNUBE-UHFFFAOYSA-N -2 0 381.837 3.109 20 0 GGADRL CCCc1ccc(S(=O)(=O)[N-]c2cccnc2SCCC(=O)[O-])cc1 ZINC001596069184 983383494 /nfs/dbraw/zinc/38/34/94/983383494.db2.gz SBWJGUHMEQZJHD-UHFFFAOYSA-N -2 0 380.491 3.402 20 0 GGADRL CCCc1sc(C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1CC ZINC001596105502 983429379 /nfs/dbraw/zinc/42/93/79/983429379.db2.gz DBDZVMLQRYOCEK-UHFFFAOYSA-N -2 0 387.504 3.141 20 0 GGADRL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001596110915 983436976 /nfs/dbraw/zinc/43/69/76/983436976.db2.gz ANADCYACBFYAER-UHFFFAOYSA-N -2 0 391.424 3.393 20 0 GGADRL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC001596111574 983439791 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3.131 20 0 GGADRL CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c1 ZINC001596706513 984909639 /nfs/dbraw/zinc/90/96/39/984909639.db2.gz MAHVDARKPRVEMQ-UHFFFAOYSA-N -2 0 389.838 3.077 20 0 GGADRL CCOC(=O)c1ccc(F)c(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001596719426 984957037 /nfs/dbraw/zinc/95/70/37/984957037.db2.gz LEHYFOGIIIBSTF-UHFFFAOYSA-N -2 0 395.408 3.118 20 0 GGADRL CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2c(C)csc2C(=O)[O-])c1 ZINC001596721556 984967324 /nfs/dbraw/zinc/96/73/24/984967324.db2.gz VMTGCRKWTNYRIS-UHFFFAOYSA-N -2 0 383.447 3.041 20 0 GGADRL CCOC(=O)c1cnc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])[n-]1 ZINC001596739692 985038364 /nfs/dbraw/zinc/03/83/64/985038364.db2.gz GSXOJYYUQGWUKV-UHFFFAOYSA-N -2 0 379.372 3.204 20 0 GGADRL CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001596756124 985133343 /nfs/dbraw/zinc/13/33/43/985133343.db2.gz NHVUBQPTSCQZBB-UHFFFAOYSA-N -2 0 384.344 3.370 20 0 GGADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1ccc(Cl)s1 ZINC001599947135 985547696 /nfs/dbraw/zinc/54/76/96/985547696.db2.gz AQDCKQBHVKJNGK-VIFPVBQESA-N -2 0 389.882 3.231 20 0 GGADRL CC(=O)Nc1cc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C(C)C)s2)ccc1C ZINC001589182167 985558057 /nfs/dbraw/zinc/55/80/57/985558057.db2.gz FKFVHZSXHWUJNY-UHFFFAOYSA-N -2 0 397.478 3.032 20 0 GGADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC001599948701 985572130 /nfs/dbraw/zinc/57/21/30/985572130.db2.gz RFHKHKJQNYUOLF-NSHDSACASA-N -2 0 383.853 3.169 20 0 GGADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)C[C@H](C)c1ccccc1 ZINC001599948758 985572954 /nfs/dbraw/zinc/57/29/54/985572954.db2.gz RVOBXFCMEONLSV-FZMZJTMJSA-N -2 0 377.462 3.119 20 0 GGADRL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)csc2C(=O)[O-])cc1Cl ZINC001589200358 985649697 /nfs/dbraw/zinc/64/96/97/985649697.db2.gz MBQAKMCZDSPLAQ-UHFFFAOYSA-N -2 0 388.854 3.167 20 0 GGADRL CC(=O)c1ccc2nc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])sc2c1 ZINC001589306580 986074226 /nfs/dbraw/zinc/07/42/26/986074226.db2.gz XJOPRHJIRATFKG-UHFFFAOYSA-N -2 0 394.405 3.137 20 0 GGADRL CC(=O)c1ccc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)sc2c1 ZINC001589306572 986074343 /nfs/dbraw/zinc/07/43/43/986074343.db2.gz XFKAGPCECWGOTR-UHFFFAOYSA-N -2 0 382.444 3.059 20 0 GGADRL Cc1c2cc(F)ccc2sc1C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001599982081 986178313 /nfs/dbraw/zinc/17/83/13/986178313.db2.gz SHYXTYTZXIHIJI-UHFFFAOYSA-N -2 0 399.446 3.227 20 0 GGADRL CC(C)c1nc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)sc1C(=O)[O-] ZINC001594618561 986640163 /nfs/dbraw/zinc/64/01/63/986640163.db2.gz FIZMVPUMEHUDQE-SECBINFHSA-N -2 0 382.463 3.089 20 0 GGADRL CC(C)c1nc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)sc1C(=O)[O-] ZINC001594618562 986640267 /nfs/dbraw/zinc/64/02/67/986640267.db2.gz FIZMVPUMEHUDQE-VIFPVBQESA-N -2 0 382.463 3.089 20 0 GGADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)C1CCCC1 ZINC001589424065 986687605 /nfs/dbraw/zinc/68/76/05/986687605.db2.gz RHMMDDREBKTHRU-VIFPVBQESA-N -2 0 393.383 3.035 20 0 GGADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1c(Cl)cccc1C(=O)[O-] ZINC001597129755 986841335 /nfs/dbraw/zinc/84/13/35/986841335.db2.gz AGLBRRVXRLAGCH-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)c2ccccc12 ZINC001597137203 986873977 /nfs/dbraw/zinc/87/39/77/986873977.db2.gz CMDSNEGFXBIPJE-UHFFFAOYSA-N -2 0 386.429 3.061 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2scc(C)c2C(=O)[O-])cc1OCC ZINC001597137592 986877504 /nfs/dbraw/zinc/87/75/04/986877504.db2.gz KHRWDWBMOJOGKT-UHFFFAOYSA-N -2 0 385.463 3.353 20 0 GGADRL CCOc1ccc2nc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])sc2c1 ZINC001597144156 986903188 /nfs/dbraw/zinc/90/31/88/986903188.db2.gz PZYDMBDACFQHAJ-UHFFFAOYSA-N -2 0 396.446 3.404 20 0 GGADRL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])c1ccccc1 ZINC001589469674 986945221 /nfs/dbraw/zinc/94/52/21/986945221.db2.gz NKIYLXDVKKIAPO-YVEFUNNKSA-N -2 0 399.834 3.423 20 0 GGADRL C[C@H](C(=O)[O-])[C@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])c1ccccc1 ZINC001589469672 986945416 /nfs/dbraw/zinc/94/54/16/986945416.db2.gz NKIYLXDVKKIAPO-SJCJKPOMSA-N -2 0 399.834 3.423 20 0 GGADRL CCC(=O)c1cccc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C(C)C)s2)c1 ZINC001594722206 987209975 /nfs/dbraw/zinc/20/99/75/987209975.db2.gz INJUPOVJKJSUDS-UHFFFAOYSA-N -2 0 382.463 3.358 20 0 GGADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)cc1 ZINC001589638835 987562243 /nfs/dbraw/zinc/56/22/43/987562243.db2.gz YPXXQPAXFQLCIA-UHFFFAOYSA-N -2 0 377.400 3.255 20 0 GGADRL CC(C)(C(=O)[O-])c1csc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)n1 ZINC001589657246 987629831 /nfs/dbraw/zinc/62/98/31/987629831.db2.gz VVMBGLAGOSBAPD-UHFFFAOYSA-N -2 0 378.475 3.234 20 0 GGADRL CCc1c([O-])nc(SCc2ncccc2C(=O)[O-])n(-c2ccccc2C)c1=O ZINC001597419812 987726921 /nfs/dbraw/zinc/72/69/21/987726921.db2.gz KKTWINMWQPNXQZ-UHFFFAOYSA-N -2 0 397.456 3.194 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cnn1CC(C)C ZINC001597420135 987731605 /nfs/dbraw/zinc/73/16/05/987731605.db2.gz WNONZZHOAKYCLZ-YFHOEESVSA-N -2 0 377.466 3.000 20 0 GGADRL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1 ZINC001589693920 987771197 /nfs/dbraw/zinc/77/11/97/987771197.db2.gz KJKHSFKBTJPJCO-UHFFFAOYSA-N -2 0 382.463 3.232 20 0 GGADRL CCc1ccc(C(C)(C)CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001597508155 988084119 /nfs/dbraw/zinc/08/41/19/988084119.db2.gz DKKBAVVVITXSNJ-UHFFFAOYSA-N -2 0 397.443 3.482 20 0 GGADRL CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)c1 ZINC001597523341 988159327 /nfs/dbraw/zinc/15/93/27/988159327.db2.gz MPEPMJFAIYDCPF-UHFFFAOYSA-N -2 0 393.461 3.328 20 0 GGADRL CSCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001599802045 988193229 /nfs/dbraw/zinc/19/32/29/988193229.db2.gz AICGSCPJPKZDQB-UHFFFAOYSA-N -2 0 399.877 3.020 20 0 GGADRL CSc1c(F)cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc1F ZINC001599806383 988262315 /nfs/dbraw/zinc/26/23/15/988262315.db2.gz TUKXVHUFTPHRNB-UHFFFAOYSA-N -2 0 377.365 3.325 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)OC)c(C(=O)[O-])c1 ZINC001597555666 988282280 /nfs/dbraw/zinc/28/22/80/988282280.db2.gz AIPUHSDUQUKVTK-UHFFFAOYSA-N -2 0 397.836 3.188 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2cc(/C=C\C(=O)[O-])cc(OC)c2OC)cc1 ZINC001597556432 988288880 /nfs/dbraw/zinc/28/88/80/988288880.db2.gz QHQQMBWMWCNGRE-YFHOEESVSA-N -2 0 391.445 3.165 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])c(C(=O)OC)c1 ZINC001597557079 988294104 /nfs/dbraw/zinc/29/41/04/988294104.db2.gz VJKOGBJWGQBWDI-UHFFFAOYSA-N -2 0 397.836 3.188 20 0 GGADRL CCc1ccc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)sc2c1 ZINC001597570270 988342200 /nfs/dbraw/zinc/34/22/00/988342200.db2.gz COVAXNUMYNGLTK-UHFFFAOYSA-N -2 0 380.422 3.497 20 0 GGADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC001597594313 988432967 /nfs/dbraw/zinc/43/29/67/988432967.db2.gz SRCBFZCKNFYGHX-UHFFFAOYSA-N -2 0 397.836 3.188 20 0 GGADRL CCc1ccccc1-n1cc([O-])c(C(=O)Nc2cccc(CCC(=O)[O-])c2)n1 ZINC001597604258 988480059 /nfs/dbraw/zinc/48/00/59/988480059.db2.gz JESXFHSFMNCBLE-UHFFFAOYSA-N -2 0 379.416 3.410 20 0 GGADRL CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)n1 ZINC001597604554 988481261 /nfs/dbraw/zinc/48/12/61/988481261.db2.gz OJZIMTCHDJZHKB-UHFFFAOYSA-N -2 0 383.379 3.159 20 0 GGADRL CSc1ccccc1S(=O)(=O)[N-]c1nc2nc(C)cc(C(=O)[O-])c2s1 ZINC001599826646 988608702 /nfs/dbraw/zinc/60/87/02/988608702.db2.gz XCAYCUBJJJEDLK-UHFFFAOYSA-N -2 0 395.487 3.221 20 0 GGADRL C[C@@H](C(=O)[O-])N(C)C(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001599830628 988667498 /nfs/dbraw/zinc/66/74/98/988667498.db2.gz PCBOBFLRJCNIAT-LURJTMIESA-N -2 0 392.626 3.083 20 0 GGADRL CCc1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)sc1C(=O)[O-] ZINC001597685358 988832374 /nfs/dbraw/zinc/83/23/74/988832374.db2.gz KRVHYPOFZNMNJG-UHFFFAOYSA-N -2 0 398.359 3.362 20 0 GGADRL CCc1nc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)sc1C(=O)[O-] ZINC001597685542 988837701 /nfs/dbraw/zinc/83/77/01/988837701.db2.gz QCMHLSBDPNPILR-UHFFFAOYSA-N -2 0 378.834 3.138 20 0 GGADRL CCc1nc([N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)sc1C(=O)[O-] ZINC001597685677 988841757 /nfs/dbraw/zinc/84/17/57/988841757.db2.gz VXXGUWPDUHHAPO-UHFFFAOYSA-N -2 0 388.854 3.061 20 0 GGADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c3ccccc23)s1 ZINC001597702368 988928466 /nfs/dbraw/zinc/92/84/66/988928466.db2.gz FKBHFZJCFCKSRF-UHFFFAOYSA-N -2 0 392.458 3.123 20 0 GGADRL CCc1noc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001597746149 989116582 /nfs/dbraw/zinc/11/65/82/989116582.db2.gz QHIFYGJWMNMJCS-UHFFFAOYSA-N -2 0 378.328 3.063 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2nc(C)cc2C)cc1 ZINC001597785506 989303694 /nfs/dbraw/zinc/30/36/94/989303694.db2.gz IKYVQNASZNTYDR-UHFFFAOYSA-N -2 0 389.433 3.144 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC001597785681 989305491 /nfs/dbraw/zinc/30/54/91/989305491.db2.gz MZYKJGJYKYGBHW-UHFFFAOYSA-N -2 0 377.340 3.446 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)nn(-c2ccccc2)c1C ZINC001597785759 989306440 /nfs/dbraw/zinc/30/64/40/989306440.db2.gz RXGHIXCRIGMOFA-UHFFFAOYSA-N -2 0 389.433 3.144 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncc(Cc2ccccc2)s1 ZINC001597790458 989311164 /nfs/dbraw/zinc/31/11/64/989311164.db2.gz CKLINRKIGGDQIJ-UHFFFAOYSA-N -2 0 392.458 3.388 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(SC(=O)N(C)C)c1 ZINC001597791655 989323635 /nfs/dbraw/zinc/32/36/35/989323635.db2.gz PVDBXZSLQRFLTQ-UHFFFAOYSA-N -2 0 398.462 3.115 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1-n1cccn1 ZINC001597791720 989325347 /nfs/dbraw/zinc/32/53/47/989325347.db2.gz QYZJXXDLKWPHAH-UHFFFAOYSA-N -2 0 395.824 3.180 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn([C@H](C)c2ccccc2)n1 ZINC001597792006 989329180 /nfs/dbraw/zinc/32/91/80/989329180.db2.gz VCPRAKFJPJGBRM-GFCCVEGCSA-N -2 0 389.433 3.147 20 0 GGADRL CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])ccc21 ZINC001597868705 989662062 /nfs/dbraw/zinc/66/20/62/989662062.db2.gz KNZITGMNFAYHBI-UHFFFAOYSA-N -2 0 384.417 3.037 20 0 GGADRL CC(C)(C)OC(=O)c1cc(C(=O)Nc2cccc(SCCC(=O)[O-])c2)n[n-]1 ZINC001590363423 989823111 /nfs/dbraw/zinc/82/31/11/989823111.db2.gz YPOBKJRNYUKWDX-UHFFFAOYSA-N -2 0 391.449 3.184 20 0 GGADRL CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccn3)cc2s1 ZINC001590545538 990182718 /nfs/dbraw/zinc/18/27/18/990182718.db2.gz IVHWPYZSOGTIGW-UHFFFAOYSA-N -2 0 391.474 3.488 20 0 GGADRL CC(C)(C)n1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001590605262 990272670 /nfs/dbraw/zinc/27/26/70/990272670.db2.gz UXAWQKSBCAPWJD-UHFFFAOYSA-N -2 0 391.371 3.156 20 0 GGADRL CC(C)[C@@H](CCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001590980566 991132731 /nfs/dbraw/zinc/13/27/31/991132731.db2.gz HQKUWFOEOOPBFF-GOSISDBHSA-N -2 0 389.473 3.095 20 0 GGADRL COc1ccccc1S(=O)(=O)[N-]c1nc(C2CCCC2)c(C(=O)[O-])s1 ZINC001599718264 991494014 /nfs/dbraw/zinc/49/40/14/991494014.db2.gz PFZGDADVQHJHKI-UHFFFAOYSA-N -2 0 382.463 3.308 20 0 GGADRL CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1F ZINC001591261282 992173203 /nfs/dbraw/zinc/17/32/03/992173203.db2.gz ZQYNMQMREPCWDA-UHFFFAOYSA-N -2 0 382.413 3.145 20 0 GGADRL CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001591314480 992280748 /nfs/dbraw/zinc/28/07/48/992280748.db2.gz SXEDCHUUDFKCDQ-UHFFFAOYSA-N -2 0 395.406 3.065 20 0 GGADRL CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2C1 ZINC001591366929 992384540 /nfs/dbraw/zinc/38/45/40/992384540.db2.gz GMRYUWYYYVQHPE-UHFFFAOYSA-N -2 0 392.452 3.296 20 0 GGADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1C1CC1 ZINC001591533875 992712812 /nfs/dbraw/zinc/71/28/12/992712812.db2.gz OUTQRGLMKGFNMY-UHFFFAOYSA-N -2 0 399.419 3.194 20 0 GGADRL CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001598538184 992865485 /nfs/dbraw/zinc/86/54/85/992865485.db2.gz HHSYACJBOTUVCL-CYBMUJFWSA-N -2 0 381.816 3.447 20 0 GGADRL COc1ccc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)c2ncccc12 ZINC001599598263 993777923 /nfs/dbraw/zinc/77/79/23/993777923.db2.gz SHEMYKHQBQKJAR-UHFFFAOYSA-N -2 0 378.450 3.020 20 0 GGADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC001599600029 993802129 /nfs/dbraw/zinc/80/21/29/993802129.db2.gz ACKWEFRTRKMAIM-UHFFFAOYSA-N -2 0 385.482 3.259 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c(Br)c1 ZINC001599616484 994021441 /nfs/dbraw/zinc/02/14/41/994021441.db2.gz BCVIWDZZKIBVOW-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c(OC)c1C(=O)[O-] ZINC001599617662 994036706 /nfs/dbraw/zinc/03/67/06/994036706.db2.gz KGUAPHFRMCVXMK-UHFFFAOYSA-N -2 0 391.445 3.082 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C3CC3)s2)c(C)c1C ZINC001599617931 994041762 /nfs/dbraw/zinc/04/17/62/994041762.db2.gz NQGNFELVMZCOBN-UHFFFAOYSA-N -2 0 382.463 3.145 20 0 GGADRL C[C@@]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)(c1ccccc1)C(F)(F)F ZINC001593337437 994921177 /nfs/dbraw/zinc/92/11/77/994921177.db2.gz LOHGVXWGFZOETK-MRXNPFEDSA-N -2 0 387.379 3.070 20 0 GGADRL C[C@H](Oc1cccnc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1)c1ccccc1 ZINC001593655144 996018315 /nfs/dbraw/zinc/01/83/15/996018315.db2.gz ASDYKHIMWORAHT-ZDUSSCGKSA-N -2 0 399.428 3.116 20 0 GGADRL C[C@H](Sc1ccccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)C(=O)[O-] ZINC001593669248 996069638 /nfs/dbraw/zinc/06/96/38/996069638.db2.gz RFXLUTPUVSBUAH-XZJROXQQSA-N -2 0 385.441 3.295 20 0 GGADRL C[C@@H](Sc1ccccc1C(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC001593669172 996069929 /nfs/dbraw/zinc/06/99/29/996069929.db2.gz PXIPGMIMDNJHEC-MLGOLLRUSA-N -2 0 385.441 3.076 20 0 GGADRL C[C@H](Sc1ccccc1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C(=O)[O-] ZINC001593672151 996073354 /nfs/dbraw/zinc/07/33/54/996073354.db2.gz IIHWWBVCUOFOGV-LBPRGKRZSA-N -2 0 383.429 3.395 20 0 GGADRL CC1(C)[C@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])C1(F)F ZINC001593831359 996576180 /nfs/dbraw/zinc/57/61/80/996576180.db2.gz YNIZUVMRHOMRJI-VIFPVBQESA-N -2 0 388.219 3.261 20 0 GGADRL CC1(C)CCC[C@@](NC(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])(C(=O)[O-])C1 ZINC001593896399 996753183 /nfs/dbraw/zinc/75/31/83/996753183.db2.gz WMNDFTWPMJOVBN-IBGZPJMESA-N -2 0 393.390 3.010 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C ZINC001599382674 996883649 /nfs/dbraw/zinc/88/36/49/996883649.db2.gz BYUCFAOKKQEIQF-UHFFFAOYSA-N -3 0 393.417 3.016 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2s1 ZINC001599383320 996897802 /nfs/dbraw/zinc/89/78/02/996897802.db2.gz AIGGQFIDRPIIID-UHFFFAOYSA-N -2 0 398.849 3.457 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1CCSC ZINC001599384289 996916532 /nfs/dbraw/zinc/91/65/32/996916532.db2.gz YLVIDUWXZVZFMF-UHFFFAOYSA-N -2 0 381.475 3.100 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1NC(C)(C)C ZINC001599384285 996916942 /nfs/dbraw/zinc/91/69/42/996916942.db2.gz YFSAJHXAHNIUEG-UHFFFAOYSA-N -2 0 378.450 3.405 20 0 GGADRL COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)cc1C ZINC001598888209 996939598 /nfs/dbraw/zinc/93/95/98/996939598.db2.gz YTYOQMTWZKCAGF-UHFFFAOYSA-N -2 0 384.435 3.042 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C)c(OC(C)C)c1 ZINC001599387309 996968968 /nfs/dbraw/zinc/96/89/68/996968968.db2.gz HSDWXYHPXDFVFI-UHFFFAOYSA-N -2 0 385.463 3.351 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccc1C(C)(F)F ZINC001599387334 996969742 /nfs/dbraw/zinc/96/97/42/996969742.db2.gz IZLNBIOAZMIDEL-UHFFFAOYSA-N -2 0 377.390 3.367 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccc1N(C)C(C)C ZINC001599388214 996983988 /nfs/dbraw/zinc/98/39/88/996983988.db2.gz YPAKAGQUEYYHLB-UHFFFAOYSA-N -2 0 384.479 3.100 20 0 GGADRL COCc1cc(NC(=O)c2cccc(Br)c2[O-])cc(C(=O)[O-])c1 ZINC001599288911 997029038 /nfs/dbraw/zinc/02/90/38/997029038.db2.gz XLIQJSHEDHKYOA-UHFFFAOYSA-N -2 0 380.194 3.252 20 0 GGADRL COCc1cc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)cc(C(=O)[O-])c1 ZINC001599289222 997034252 /nfs/dbraw/zinc/03/42/52/997034252.db2.gz HKDUPYLUUFCOMO-UHFFFAOYSA-N -2 0 391.445 3.046 20 0 GGADRL COCc1cc([N-]S(=O)(=O)c2c(C)n(C)c3ccccc32)cc(C(=O)[O-])c1 ZINC001599289858 997045529 /nfs/dbraw/zinc/04/55/29/997045529.db2.gz ZPWZRQLXLQQMSV-UHFFFAOYSA-N -2 0 388.445 3.132 20 0 GGADRL COCc1nc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)sc1C(=O)[O-] ZINC001599303385 997271537 /nfs/dbraw/zinc/27/15/37/997271537.db2.gz JFYFJVLRXGVJEG-AATRIKPKSA-N -2 0 388.854 3.054 20 0 GGADRL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1OC ZINC001599514443 997358111 /nfs/dbraw/zinc/35/81/11/997358111.db2.gz TYHHSYJFBCKVFG-ZDUSSCGKSA-N -2 0 397.786 3.148 20 0 GGADRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC001598916122 997469689 /nfs/dbraw/zinc/46/96/89/997469689.db2.gz POGXGKXKEAAAHG-UHFFFAOYSA-N -2 0 397.474 3.267 20 0 GGADRL COCCCCc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001599223663 997717141 /nfs/dbraw/zinc/71/71/41/997717141.db2.gz QETZAVCOZJZSHR-UHFFFAOYSA-N -2 0 398.868 3.203 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc2oc(C)nc2c1 ZINC001599329825 997728089 /nfs/dbraw/zinc/72/80/89/997728089.db2.gz GCSCDNIJZLVLGO-UHFFFAOYSA-N -2 0 396.808 3.297 20 0 GGADRL C[C@@]1([N-]C(=O)C(F)(F)F)CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001594053983 997780391 /nfs/dbraw/zinc/78/03/91/997780391.db2.gz ZBCWCKVWLHJSBN-SMDDNHRTSA-N -2 0 399.196 3.262 20 0 GGADRL C[C@]1([N-]C(=O)C(F)(F)F)CCN([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001594053980 997780542 /nfs/dbraw/zinc/78/05/42/997780542.db2.gz ZBCWCKVWLHJSBN-FZMZJTMJSA-N -2 0 399.196 3.262 20 0 GGADRL CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3c(C)csc3C(=O)[O-])cccc21 ZINC001599127134 997871818 /nfs/dbraw/zinc/87/18/18/997871818.db2.gz FTQUHOAPDIWKKA-GFCCVEGCSA-N -2 0 383.447 3.026 20 0 GGADRL CO[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)cccc21 ZINC001599128422 997895925 /nfs/dbraw/zinc/89/59/25/997895925.db2.gz YCIGXAHKRRBKLW-JEJOPICUSA-N -2 0 389.429 3.055 20 0 GGADRL COc1cc(NC(=O)c2c([O-])cnc3c(F)cccc32)c(C(=O)[O-])cc1OC ZINC001599441292 997933392 /nfs/dbraw/zinc/93/33/92/997933392.db2.gz YTIZGWZNEBGOCA-UHFFFAOYSA-N -2 0 386.335 3.047 20 0 GGADRL COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c1 ZINC001599346391 998012779 /nfs/dbraw/zinc/01/27/79/998012779.db2.gz HMNFUQNLSCTLKU-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2cc(F)ccc2F)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC001594095422 998065664 /nfs/dbraw/zinc/06/56/64/998065664.db2.gz OQYBQDDDJVTMBJ-MRXNPFEDSA-N -2 0 388.326 3.293 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2ccc(F)cc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC001594098307 998079608 /nfs/dbraw/zinc/07/96/08/998079608.db2.gz RIAJOXJDRRTJKF-INIZCTEOSA-N -2 0 382.363 3.035 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(OCCC(=O)[O-])cc2)NC(=O)N1CCC(C)C ZINC001594098591 998083667 /nfs/dbraw/zinc/08/36/67/998083667.db2.gz VIRLYAPEOTZLLD-GOSISDBHSA-N -2 0 390.436 3.011 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2ccc(OCCC(=O)[O-])cc2)NC(=O)N1CCC(C)C ZINC001594098592 998083885 /nfs/dbraw/zinc/08/38/85/998083885.db2.gz VIRLYAPEOTZLLD-SFHVURJKSA-N -2 0 390.436 3.011 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2nc(CC(C)(C)C)cs2)ccc1C(=O)[O-] ZINC001599460151 998259581 /nfs/dbraw/zinc/25/95/81/998259581.db2.gz TVDTXOUFLFYBTM-UHFFFAOYSA-N -2 0 384.479 3.239 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)ccc1C(=O)[O-] ZINC001599460316 998261615 /nfs/dbraw/zinc/26/16/15/998261615.db2.gz ZWLLLHQGDPXUFJ-UHFFFAOYSA-N -2 0 380.422 3.014 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])ccc1Br ZINC001599461072 998274022 /nfs/dbraw/zinc/27/40/22/998274022.db2.gz JLAUBYIFFLGBQE-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2sc(C)nc2CC(C)C)ccc1C(=O)[O-] ZINC001599461159 998276208 /nfs/dbraw/zinc/27/62/08/998276208.db2.gz LELGHFQJHQOSCN-UHFFFAOYSA-N -2 0 384.479 3.158 20 0 GGADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(SC)ccc1C ZINC001598968181 998462488 /nfs/dbraw/zinc/46/24/88/998462488.db2.gz NPTSLIHOWOHTQC-UHFFFAOYSA-N -2 0 395.458 3.003 20 0 GGADRL COC[C@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001599161368 998464467 /nfs/dbraw/zinc/46/44/67/998464467.db2.gz YCRSSAMYNPHGBI-NSHDSACASA-N -2 0 399.852 3.253 20 0 GGADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC001598968325 998464961 /nfs/dbraw/zinc/46/49/61/998464961.db2.gz PKJYVCURUZOUBE-UHFFFAOYSA-N -2 0 385.397 3.125 20 0 GGADRL COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc(C[C@H](C)C(=O)[O-])cc3)n2)cc1 ZINC001599473355 998486246 /nfs/dbraw/zinc/48/62/46/998486246.db2.gz DHVNGJSEOCJLJI-ZDUSSCGKSA-N -2 0 395.415 3.102 20 0 GGADRL COC(=O)c1ccc2ccccc2c1[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001598991451 998741255 /nfs/dbraw/zinc/74/12/55/998741255.db2.gz NGPNVDRGGQCAMY-UHFFFAOYSA-N -2 0 399.424 3.267 20 0 GGADRL COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c(C)c1Cl ZINC001599022836 998994584 /nfs/dbraw/zinc/99/45/84/998994584.db2.gz WMTNVKPTRKUOKY-UHFFFAOYSA-N -2 0 395.867 3.057 20 0 GGADRL C[C@@H]1CC[C@@](NC(=O)c2cc(F)c(F)c([O-])c2F)(C(=O)[O-])c2ccccc21 ZINC001594322504 999242841 /nfs/dbraw/zinc/24/28/41/999242841.db2.gz MTNHMXAJYNCEMQ-HOGDKLEQSA-N -2 0 379.334 3.417 20 0 GGADRL CO[C@@H](CS(=O)(=O)[N-]c1nc(C(=O)[O-])c(C(C)C)s1)c1ccccc1 ZINC001599058737 999250016 /nfs/dbraw/zinc/25/00/16/999250016.db2.gz KYAUVZXBVSBQQT-LBPRGKRZSA-N -2 0 384.479 3.094 20 0 GGADRL C[C@@H]1CC[C@@](NS(=O)(=O)c2cccc(Cl)c2[O-])(C(=O)[O-])c2ccccc21 ZINC001594326401 999254509 /nfs/dbraw/zinc/25/45/09/999254509.db2.gz JOWZIRZMTMNSPB-ZMZPIMSZSA-N -2 0 395.864 3.201 20 0 GGADRL C[C@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C4(C(=O)[O-])CC4)cc3)sc2C1 ZINC001594450796 999648437 /nfs/dbraw/zinc/64/84/37/999648437.db2.gz KMKWCGKCYCKVAE-NSHDSACASA-N -2 0 392.502 3.185 20 0 GGADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000013278802 204486270 /nfs/dbraw/zinc/48/62/70/204486270.db2.gz PVXGUBAOOSLKIK-UHFFFAOYSA-N -2 0 385.445 3.297 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2sccc2Br)cc1C(=O)[O-] ZINC000078789767 205036246 /nfs/dbraw/zinc/03/62/46/205036246.db2.gz GOPFRQTZJYYMCE-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c1 ZINC000058377489 205173175 /nfs/dbraw/zinc/17/31/75/205173175.db2.gz MGRNMDMKIXXOHM-UHFFFAOYSA-N -2 0 380.369 3.221 20 0 GGADRL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)c2cccc(Cl)c2F)n1 ZINC000078824162 205376070 /nfs/dbraw/zinc/37/60/70/205376070.db2.gz OYPDWZWYKIVKCP-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000078789972 205376468 /nfs/dbraw/zinc/37/64/68/205376468.db2.gz JZIOWIUMNAPADL-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c(F)c1 ZINC000078938750 205377365 /nfs/dbraw/zinc/37/73/65/205377365.db2.gz CYQFEBSDMOYYCC-UHFFFAOYSA-N -2 0 377.315 3.430 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c(F)c1 ZINC000078938643 205377426 /nfs/dbraw/zinc/37/74/26/205377426.db2.gz GHNMDCHRLBWFSE-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000096736566 206123330 /nfs/dbraw/zinc/12/33/30/206123330.db2.gz PPXGZDDUDRETRZ-KMKOMSMNSA-N -2 0 382.235 3.348 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000012525882 564268553 /nfs/dbraw/zinc/26/85/53/564268553.db2.gz IYBKJKPDBJVFQL-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000013278910 564275406 /nfs/dbraw/zinc/27/54/06/564275406.db2.gz FTNZLKINDKSKRU-UHFFFAOYSA-N -2 0 377.365 3.325 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C)sc2c1 ZINC000013359271 564276190 /nfs/dbraw/zinc/27/61/90/564276190.db2.gz HSUACQRGYMUXDG-UHFFFAOYSA-N -2 0 378.431 3.112 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1 ZINC000015243628 564285521 /nfs/dbraw/zinc/28/55/21/564285521.db2.gz PLJZRFIVBAFPRQ-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000042793475 564451038 /nfs/dbraw/zinc/45/10/38/564451038.db2.gz ZTQQGWYFSKDMBW-UHFFFAOYSA-N -2 0 393.389 3.166 20 0 GGADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000045946632 564491272 /nfs/dbraw/zinc/49/12/72/564491272.db2.gz VDKVWDKTHBFGNY-UHFFFAOYSA-N -2 0 385.463 3.353 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)sc1C(=O)[O-] ZINC000045946676 564491281 /nfs/dbraw/zinc/49/12/81/564491281.db2.gz WQRNCQLQZPQHIH-UHFFFAOYSA-N -2 0 395.380 3.497 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)sc1C(=O)[O-] ZINC000045946620 564491848 /nfs/dbraw/zinc/49/18/48/564491848.db2.gz IVFZQBASHJRPHL-UHFFFAOYSA-N -2 0 381.353 3.454 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cs1 ZINC000135355851 564829024 /nfs/dbraw/zinc/82/90/24/564829024.db2.gz MQGZWQOQWDYCSG-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1Br ZINC000070156564 564849455 /nfs/dbraw/zinc/84/94/55/564849455.db2.gz JHTRBOXPRITEKZ-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1C(=O)[O-] ZINC000071171393 564856253 /nfs/dbraw/zinc/85/62/53/564856253.db2.gz BYLYXSOOHXFXON-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL CCc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1C(=O)[O-] ZINC000137637466 564863206 /nfs/dbraw/zinc/86/32/06/564863206.db2.gz NQMWGTWMSPMIAB-UHFFFAOYSA-N -2 0 377.447 3.200 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cnn1CCC(C)C ZINC000137790427 564864299 /nfs/dbraw/zinc/86/42/99/564864299.db2.gz PLEGUWFYJGEMDT-UHFFFAOYSA-N -2 0 385.873 3.390 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)sc1Br ZINC000149468092 564885691 /nfs/dbraw/zinc/88/56/91/564885691.db2.gz UJTCYDCLFWSQTN-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])sc1Br ZINC000149480830 564885796 /nfs/dbraw/zinc/88/57/96/564885796.db2.gz GUFKBIJNZVHTDR-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)sc1Br ZINC000149487322 564885913 /nfs/dbraw/zinc/88/59/13/564885913.db2.gz KYHBTAGXFFKLQX-UHFFFAOYSA-N -2 0 390.280 3.247 20 0 GGADRL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000149415575 564886229 /nfs/dbraw/zinc/88/62/29/564886229.db2.gz OZZFDBTWJXARBI-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000108931873 565019051 /nfs/dbraw/zinc/01/90/51/565019051.db2.gz DJPPMONWQZBZPZ-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000154459899 565040045 /nfs/dbraw/zinc/04/00/45/565040045.db2.gz NKIGVLGMFZATOQ-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1)C(=O)[O-] ZINC000184655965 565150400 /nfs/dbraw/zinc/15/04/00/565150400.db2.gz VQEZQPPGCKXTIO-LLVKDONJSA-N -2 0 378.837 3.276 20 0 GGADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1C ZINC000270141393 565209893 /nfs/dbraw/zinc/20/98/93/565209893.db2.gz VAQSRTSTFBJOCL-UHFFFAOYSA-N -2 0 392.264 3.326 20 0 GGADRL COc1cc(Br)cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000168856485 565382037 /nfs/dbraw/zinc/38/20/37/565382037.db2.gz UJJGHLUUIKXNPB-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000275211014 565397752 /nfs/dbraw/zinc/39/77/52/565397752.db2.gz HRBBBWQTBXEXCR-SSDOTTSWSA-N -2 0 382.599 3.034 20 0 GGADRL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000275227391 565398053 /nfs/dbraw/zinc/39/80/53/565398053.db2.gz JBUXHZVXEDQMBL-ZETCQYMHSA-N -2 0 399.696 3.043 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000387636655 565548875 /nfs/dbraw/zinc/54/88/75/565548875.db2.gz ZYAUKDSCGKTBAJ-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000391664519 565561698 /nfs/dbraw/zinc/56/16/98/565561698.db2.gz QPTLCPXRDQTKQT-UHFFFAOYSA-N -2 0 381.353 3.454 20 0 GGADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccnc1OC(C)C ZINC000392749272 565565637 /nfs/dbraw/zinc/56/56/37/565565637.db2.gz WZMPAUVBKDSWQR-UHFFFAOYSA-N -2 0 384.841 3.330 20 0 GGADRL Cc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1C(=O)[O-] ZINC000392741646 565566188 /nfs/dbraw/zinc/56/61/88/565566188.db2.gz YHJMBDRUGVVJPS-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1Cl ZINC000393091151 565568544 /nfs/dbraw/zinc/56/85/44/565568544.db2.gz MONQRKVZBORYRZ-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2sccc2Br)c1F ZINC000313028257 565582843 /nfs/dbraw/zinc/58/28/43/565582843.db2.gz PSUCWZQJVNGIND-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c(Br)c1 ZINC000314121678 565585937 /nfs/dbraw/zinc/58/59/37/565585937.db2.gz LUNVBCSKLFAECX-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(Br)c(Cl)c2)c[nH]1 ZINC000314392705 565586414 /nfs/dbraw/zinc/58/64/14/565586414.db2.gz NIRKOHRYPCGQJQ-UHFFFAOYSA-N -2 0 397.609 3.069 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1Br ZINC000316750435 565592570 /nfs/dbraw/zinc/59/25/70/565592570.db2.gz QLIYCUCREHHEPT-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000316664491 565592747 /nfs/dbraw/zinc/59/27/47/565592747.db2.gz UFGDGMOQIWOYLQ-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000316787857 565592963 /nfs/dbraw/zinc/59/29/63/565592963.db2.gz WSJAASZWGDCBOS-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c(Br)c1 ZINC000317547049 565594035 /nfs/dbraw/zinc/59/40/35/565594035.db2.gz AKAQMEBWMHURHK-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000317044695 565594204 /nfs/dbraw/zinc/59/42/04/565594204.db2.gz VDLLQQGHFQKKFL-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)cc1 ZINC000320728316 565603049 /nfs/dbraw/zinc/60/30/49/565603049.db2.gz WUZJYDQGJDFJDB-UHFFFAOYSA-N -2 0 398.234 3.151 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000324627265 565618799 /nfs/dbraw/zinc/61/87/99/565618799.db2.gz DVBWQNFVWPBUTL-UHFFFAOYSA-N -2 0 381.353 3.454 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(Cl)c1 ZINC000326677409 565625090 /nfs/dbraw/zinc/62/50/90/565625090.db2.gz MSOUVBHPDIPPFV-UHFFFAOYSA-N -3 0 390.200 3.191 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c(Cl)c1 ZINC000326702833 565625152 /nfs/dbraw/zinc/62/51/52/565625152.db2.gz VLFBIQORPZRAOR-UHFFFAOYSA-N -2 0 377.752 3.440 20 0 GGADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000326790675 565626376 /nfs/dbraw/zinc/62/63/76/565626376.db2.gz XGNXZTHNIRXSCM-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)cc1Cl ZINC000326911502 565627414 /nfs/dbraw/zinc/62/74/14/565627414.db2.gz OMQCCSPRWAAHQZ-UHFFFAOYSA-N -2 0 377.752 3.440 20 0 GGADRL COc1ccc(OC)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c1 ZINC000327213915 565628018 /nfs/dbraw/zinc/62/80/18/565628018.db2.gz KLLXRFJARRORIM-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000327366026 565629482 /nfs/dbraw/zinc/62/94/82/565629482.db2.gz YEESYBMOGQNXBO-UHFFFAOYSA-N -2 0 375.324 3.213 20 0 GGADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1 ZINC000327271756 565629547 /nfs/dbraw/zinc/62/95/47/565629547.db2.gz GOGIVIYCGHUGFH-UHFFFAOYSA-N -2 0 375.324 3.013 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)cc1C(=O)[O-] ZINC000327386082 565630461 /nfs/dbraw/zinc/63/04/61/565630461.db2.gz QFLCYYXDBNMNMQ-UHFFFAOYSA-N -2 0 377.447 3.131 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c(F)c1 ZINC000327403091 565630811 /nfs/dbraw/zinc/63/08/11/565630811.db2.gz FRWIQBCUKFCODC-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000327450962 565630839 /nfs/dbraw/zinc/63/08/39/565630839.db2.gz RSZIJHCDCNSFBI-UHFFFAOYSA-N -2 0 390.364 3.446 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c(Cl)c1 ZINC000327693905 565631818 /nfs/dbraw/zinc/63/18/18/565631818.db2.gz AGAKRCKGRIETNA-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000327968545 565633045 /nfs/dbraw/zinc/63/30/45/565633045.db2.gz WFTGIBOWAIKFOL-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1OC ZINC000327965541 565633181 /nfs/dbraw/zinc/63/31/81/565633181.db2.gz VRLJCSVNTINFDS-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Br)c2F)cc1F ZINC000410383619 565680396 /nfs/dbraw/zinc/68/03/96/565680396.db2.gz RTZGSBWGLGJPOP-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL CCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1C(F)(F)F ZINC000410406906 565684494 /nfs/dbraw/zinc/68/44/94/565684494.db2.gz WRGIYXMEKKFFNB-UHFFFAOYSA-N -2 0 397.762 3.074 20 0 GGADRL Cc1c(Br)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1F ZINC000193468990 565754181 /nfs/dbraw/zinc/75/41/81/565754181.db2.gz SKJUHCRHKBAFOY-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000284065919 565841373 /nfs/dbraw/zinc/84/13/73/565841373.db2.gz YSVSDQMGQAMRRY-UHFFFAOYSA-N -2 0 383.447 3.140 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3n(n2)CCCC3)cc(Cl)c1Cl ZINC000284912631 565876104 /nfs/dbraw/zinc/87/61/04/565876104.db2.gz ABPZXZKWLFELPT-UHFFFAOYSA-N -2 0 390.248 3.025 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2sccc2Br)ccc1C(=O)[O-] ZINC000227177989 565921675 /nfs/dbraw/zinc/92/16/75/565921675.db2.gz KFWXGOSBESGBBN-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL O=C([O-])C1CCC(NC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)CC1 ZINC000417791388 566176037 /nfs/dbraw/zinc/17/60/37/566176037.db2.gz NQZOCTZHPIRBLD-UHFFFAOYSA-N -2 0 380.857 3.045 20 0 GGADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000481960269 566268616 /nfs/dbraw/zinc/26/86/16/566268616.db2.gz MFPXHHFANAWCNA-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)sc1C(=O)[O-] ZINC000481976237 566272341 /nfs/dbraw/zinc/27/23/41/566272341.db2.gz UYHWATHIPMQAHB-UHFFFAOYSA-N -2 0 377.390 3.199 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)cc1C(=O)[O-] ZINC000535067427 566276251 /nfs/dbraw/zinc/27/62/51/566276251.db2.gz YAIIOKCMAGHAEK-UHFFFAOYSA-N -2 0 377.447 3.131 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)sc1C(=O)[O-] ZINC000509605575 566319340 /nfs/dbraw/zinc/31/93/40/566319340.db2.gz WZHXYVKSMGRFOU-UHFFFAOYSA-N -2 0 379.463 3.486 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc1Cl ZINC000509593094 566319872 /nfs/dbraw/zinc/31/98/72/566319872.db2.gz WAGKSQKETWFGQM-UHFFFAOYSA-N -2 0 377.752 3.440 20 0 GGADRL O=C([O-])c1ccc([C@H]([N-]S(=O)(=O)CCc2cccs2)C(F)(F)F)cc1 ZINC000576224610 566327296 /nfs/dbraw/zinc/32/72/96/566327296.db2.gz ZNHXZCGMPPMTFT-ZDUSSCGKSA-N -2 0 393.408 3.212 20 0 GGADRL COc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1 ZINC000446629296 566359047 /nfs/dbraw/zinc/35/90/47/566359047.db2.gz UBGKIMAAZISFQF-UHFFFAOYSA-N -2 0 385.463 3.259 20 0 GGADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(F)F)c1 ZINC000446631453 566359183 /nfs/dbraw/zinc/35/91/83/566359183.db2.gz MMWGZKSUKIROHY-UHFFFAOYSA-N -2 0 379.410 3.136 20 0 GGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1 ZINC000536411183 566371523 /nfs/dbraw/zinc/37/15/23/566371523.db2.gz MXLWETHSULYWRL-UHFFFAOYSA-N -2 0 378.303 3.047 20 0 GGADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)c1 ZINC000536629625 566388290 /nfs/dbraw/zinc/38/82/90/566388290.db2.gz WHBWLRGPPKFWFU-UHFFFAOYSA-N -2 0 376.415 3.015 20 0 GGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1OC ZINC000447780201 566428764 /nfs/dbraw/zinc/42/87/64/566428764.db2.gz PQZVFERMBIZNDM-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)s1 ZINC000484505178 566432708 /nfs/dbraw/zinc/43/27/08/566432708.db2.gz USZPEYULEZVFOE-UHFFFAOYSA-N -2 0 390.280 3.247 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c2ncccc12 ZINC000463792305 566434839 /nfs/dbraw/zinc/43/48/39/566434839.db2.gz ZJQOGYHPHGGFNA-UHFFFAOYSA-N -2 0 378.431 3.194 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1Br ZINC000484553291 566435476 /nfs/dbraw/zinc/43/54/76/566435476.db2.gz BPYHNZOPQSWKSB-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)c1 ZINC000577609508 566450223 /nfs/dbraw/zinc/45/02/23/566450223.db2.gz ZWIJDUWGISCOFT-UHFFFAOYSA-N -2 0 377.857 3.444 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)cc1Cl ZINC000511351135 566457138 /nfs/dbraw/zinc/45/71/38/566457138.db2.gz PINRPEIOLSAHFZ-UHFFFAOYSA-N -2 0 378.793 3.494 20 0 GGADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000484982503 566466731 /nfs/dbraw/zinc/46/67/31/566466731.db2.gz YFADNBJEUXXNHZ-UHFFFAOYSA-N -2 0 383.853 3.475 20 0 GGADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000484974913 566466925 /nfs/dbraw/zinc/46/69/25/566466925.db2.gz JPPOHGKZIROHHU-UHFFFAOYSA-N -2 0 383.853 3.475 20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000485014679 566469657 /nfs/dbraw/zinc/46/96/57/566469657.db2.gz QGIKOBMPDKKFEI-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c(Cl)cc1C(=O)[O-] ZINC000485294225 566487618 /nfs/dbraw/zinc/48/76/18/566487618.db2.gz OUMKVZWMIAJEQW-UHFFFAOYSA-N -2 0 395.742 3.265 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c(Cl)cc1C(=O)[O-] ZINC000485295341 566487648 /nfs/dbraw/zinc/48/76/48/566487648.db2.gz XKWBVTMQJONBFN-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c(Cl)cc1C(=O)[O-] ZINC000485263661 566488397 /nfs/dbraw/zinc/48/83/97/566488397.db2.gz UNESJYUKIOGHDM-UHFFFAOYSA-N -2 0 380.809 3.329 20 0 GGADRL CC(C)C[C@H](CNC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)C(=O)[O-] ZINC000424389003 566533026 /nfs/dbraw/zinc/53/30/26/566533026.db2.gz ZYVDXMYXWRSYDU-SNVBAGLBSA-N -2 0 382.873 3.149 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2OCC(F)F)cc1 ZINC000673489937 566539554 /nfs/dbraw/zinc/53/95/54/566539554.db2.gz HGELWRFWVXMAEC-UHFFFAOYSA-N -2 0 391.779 3.483 20 0 GGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(Br)c2)c1 ZINC000512725195 566554592 /nfs/dbraw/zinc/55/45/92/566554592.db2.gz LCZKKBUJSLBBHP-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1cscc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000486082216 566556050 /nfs/dbraw/zinc/55/60/50/566556050.db2.gz UDEWQBDZNALMNF-UHFFFAOYSA-N -2 0 381.353 3.454 20 0 GGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1 ZINC000512790851 566557221 /nfs/dbraw/zinc/55/72/21/566557221.db2.gz SZIVQQZTZZUOBR-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1 ZINC000486093179 566557274 /nfs/dbraw/zinc/55/72/74/566557274.db2.gz JTDGVWIRPFKIRI-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OCC(F)F ZINC000539113588 566559796 /nfs/dbraw/zinc/55/97/96/566559796.db2.gz AODMVVNJWVBNDV-UHFFFAOYSA-N -2 0 395.380 3.339 20 0 GGADRL COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000466475356 566578031 /nfs/dbraw/zinc/57/80/31/566578031.db2.gz SDHAWRSPMBVIOP-UHFFFAOYSA-N -2 0 383.447 3.157 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCC2CCC2)c[nH]1 ZINC000466475612 566579794 /nfs/dbraw/zinc/57/97/94/566579794.db2.gz UYSXNGOLRJCOMD-UHFFFAOYSA-N -2 0 384.841 3.346 20 0 GGADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000560007007 566585795 /nfs/dbraw/zinc/58/57/95/566585795.db2.gz CSDOIAGMRDETCO-UHFFFAOYSA-N -2 0 387.816 3.306 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)sc1C(=O)[O-] ZINC000605118900 566596372 /nfs/dbraw/zinc/59/63/72/566596372.db2.gz NPRUVYHVCHCGOS-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000674755433 566606532 /nfs/dbraw/zinc/60/65/32/566606532.db2.gz QPDGVJUKKSJJDP-UHFFFAOYSA-N -2 0 381.797 3.131 20 0 GGADRL CSCC[C@@H](NS(=O)(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000560481001 566629736 /nfs/dbraw/zinc/62/97/36/566629736.db2.gz QCVWDNPDDUOHOP-SECBINFHSA-N -2 0 379.912 3.039 20 0 GGADRL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC000675284536 566636843 /nfs/dbraw/zinc/63/68/43/566636843.db2.gz DIPIYNWPBQXPIP-LLVKDONJSA-N -2 0 377.447 3.053 20 0 GGADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000606825809 566644645 /nfs/dbraw/zinc/64/46/45/566644645.db2.gz RYDRIBZJUNMGCW-UHFFFAOYSA-N -2 0 385.825 3.003 20 0 GGADRL Cc1cc(S(=O)(=O)NC(C)(C)c2nc3ccccc3s2)oc1C(=O)[O-] ZINC000629334320 566646013 /nfs/dbraw/zinc/64/60/13/566646013.db2.gz IJJYPIWOLBUGSR-UHFFFAOYSA-N -2 0 380.447 3.110 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(O)c1 ZINC000467759488 566662179 /nfs/dbraw/zinc/66/21/79/566662179.db2.gz UJLHNZWSAWUVLA-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(F)(F)F ZINC000580081435 566663779 /nfs/dbraw/zinc/66/37/79/566663779.db2.gz OOTHLAZRVRQUNA-YFKPBYRVSA-N -2 0 398.161 3.064 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1OCC(F)F ZINC000514866506 566675314 /nfs/dbraw/zinc/67/53/14/566675314.db2.gz LGESHKUBGZHGCA-UHFFFAOYSA-N -2 0 395.767 3.384 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)sc1C(=O)[O-] ZINC000676559447 566700385 /nfs/dbraw/zinc/70/03/85/566700385.db2.gz FSXHFLMLBNNLRR-UHFFFAOYSA-N -2 0 387.389 3.300 20 0 GGADRL Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000515691668 566727400 /nfs/dbraw/zinc/72/74/00/566727400.db2.gz AJUWBJIBLHAWDH-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Br)o2)c1 ZINC000515734893 566731347 /nfs/dbraw/zinc/73/13/47/566731347.db2.gz WLSMZBXIUCMBHK-UHFFFAOYSA-N -2 0 380.603 3.195 20 0 GGADRL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1O ZINC000677235056 566732289 /nfs/dbraw/zinc/73/22/89/566732289.db2.gz WCBMPJIDESFSEE-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000541796113 566749288 /nfs/dbraw/zinc/74/92/88/566749288.db2.gz RMJKWJXVDPLREV-UHFFFAOYSA-N -2 0 380.731 3.253 20 0 GGADRL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000541896066 566758264 /nfs/dbraw/zinc/75/82/64/566758264.db2.gz USMYXUYFFBVEPO-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c(Cl)c1 ZINC000489562180 566796315 /nfs/dbraw/zinc/79/63/15/566796315.db2.gz UQRRDMRNANRGSD-UHFFFAOYSA-N -2 0 377.809 3.229 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)sc1C(=O)[O-] ZINC000581937120 566814753 /nfs/dbraw/zinc/81/47/53/566814753.db2.gz CDJBBICAFVLTJF-UHFFFAOYSA-N -2 0 379.459 3.465 20 0 GGADRL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](c2ccc(C(=O)[O-])cc2)C(F)(F)F)s1 ZINC000563081065 566852270 /nfs/dbraw/zinc/85/22/70/566852270.db2.gz UXNPKSDPBZBHHU-NSHDSACASA-N -2 0 394.396 3.040 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000470459886 566875535 /nfs/dbraw/zinc/87/55/35/566875535.db2.gz MTTOKNWTPUZJRX-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)C(F)(F)F)o1 ZINC000656181566 566880769 /nfs/dbraw/zinc/88/07/69/566880769.db2.gz UJOXBJHXQFXIFJ-CYBMUJFWSA-N -2 0 377.340 3.177 20 0 GGADRL Cc1ccc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)C(F)(F)F)o1 ZINC000656181533 566881125 /nfs/dbraw/zinc/88/11/25/566881125.db2.gz TUIKVHXTCCKHOA-CYBMUJFWSA-N -2 0 377.340 3.177 20 0 GGADRL Cc1ccc([C@@H]([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])C(F)(F)F)o1 ZINC000656181145 566881254 /nfs/dbraw/zinc/88/12/54/566881254.db2.gz PPMACRXEOSCOOR-CYBMUJFWSA-N -2 0 377.340 3.177 20 0 GGADRL Cc1ccc([C@H]([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)C(F)(F)F)o1 ZINC000656181567 566881558 /nfs/dbraw/zinc/88/15/58/566881558.db2.gz UJOXBJHXQFXIFJ-ZDUSSCGKSA-N -2 0 377.340 3.177 20 0 GGADRL Cc1ccc([C@H]([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C(F)(F)F)o1 ZINC000656181404 566881745 /nfs/dbraw/zinc/88/17/45/566881745.db2.gz RYKXUFKOVHWQMW-ZDUSSCGKSA-N -2 0 377.340 3.009 20 0 GGADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)C[C@H](C)CC(F)(F)F ZINC000656511099 566906491 /nfs/dbraw/zinc/90/64/91/566906491.db2.gz OIXAMCDKVVCWSQ-MRVPVSSYSA-N -2 0 387.351 3.253 20 0 GGADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000680489565 566913349 /nfs/dbraw/zinc/91/33/49/566913349.db2.gz YMSHOKXPKBNFQP-LLVKDONJSA-N -2 0 383.853 3.413 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccsc2)c(C(=O)[O-])cc1Br ZINC000519839118 566973582 /nfs/dbraw/zinc/97/35/82/566973582.db2.gz QADPCPKHMWCJHU-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c1 ZINC000471979597 566992224 /nfs/dbraw/zinc/99/22/24/566992224.db2.gz OUEMNDJASDKZJL-UHFFFAOYSA-N -2 0 377.752 3.131 20 0 GGADRL COc1ccc(OCCS(=O)(=O)[N-]c2cc(F)cc(Cl)c2[O-])cc1 ZINC000471973263 566992583 /nfs/dbraw/zinc/99/25/83/566992583.db2.gz OMLDEZSOBLEVPU-UHFFFAOYSA-N -2 0 375.805 3.014 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])s1 ZINC000430980988 567043398 /nfs/dbraw/zinc/04/33/98/567043398.db2.gz HZWYRECIHDSGQM-UHFFFAOYSA-N -2 0 380.491 3.464 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCCCO3)s1 ZINC000431124183 567057186 /nfs/dbraw/zinc/05/71/86/567057186.db2.gz FYRTVJTVQMHLLD-UHFFFAOYSA-N -2 0 383.447 3.025 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c(C(=O)[O-])c1 ZINC000584735994 567065709 /nfs/dbraw/zinc/06/57/09/567065709.db2.gz YNOMMUZJNZYOON-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546071954 567101840 /nfs/dbraw/zinc/10/18/40/567101840.db2.gz FPDNOTFLDMVBFR-UHFFFAOYSA-N -2 0 392.252 3.263 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(Cl)ccc2C)c(C(=O)[O-])c1 ZINC000522515239 567119431 /nfs/dbraw/zinc/11/94/31/567119431.db2.gz LNBKKULTYZVIIM-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1OCC(F)F ZINC000588633652 567129553 /nfs/dbraw/zinc/12/95/53/567129553.db2.gz RYJFEDXIRBQWML-UHFFFAOYSA-N -2 0 377.390 3.199 20 0 GGADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000588623359 567130235 /nfs/dbraw/zinc/13/02/35/567130235.db2.gz KBAWHDOSOFUDRR-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)c(F)c1 ZINC000588626855 567130323 /nfs/dbraw/zinc/13/03/23/567130323.db2.gz UKZWZBLQITVFEV-UHFFFAOYSA-N -2 0 389.401 3.194 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000588634075 567130395 /nfs/dbraw/zinc/13/03/95/567130395.db2.gz OQRJCKHDMRMOOZ-UHFFFAOYSA-N -2 0 384.460 3.174 20 0 GGADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(F)c1 ZINC000588626599 567130543 /nfs/dbraw/zinc/13/05/43/567130543.db2.gz MAGQYDGWXZGGHK-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)c2)n1 ZINC000614793338 567139698 /nfs/dbraw/zinc/13/96/98/567139698.db2.gz XCANJIHZZNIAHM-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2)c1 ZINC000614843420 567143053 /nfs/dbraw/zinc/14/30/53/567143053.db2.gz NCNORLKQKDINGY-UHFFFAOYSA-N -2 0 376.415 3.434 20 0 GGADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000498015712 567143572 /nfs/dbraw/zinc/14/35/72/567143572.db2.gz NBXPEVYSHSGJQR-UHFFFAOYSA-N -2 0 383.853 3.475 20 0 GGADRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000546781114 567157658 /nfs/dbraw/zinc/15/76/58/567157658.db2.gz XAOMCLAUAYMDNP-UHFFFAOYSA-N -2 0 388.239 3.205 20 0 GGADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546779893 567157669 /nfs/dbraw/zinc/15/76/69/567157669.db2.gz WXVDBBXKOVSKFA-UHFFFAOYSA-N -2 0 380.603 3.195 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000524006319 567180129 /nfs/dbraw/zinc/18/01/29/567180129.db2.gz DTMBXKRCGNUPLB-UHFFFAOYSA-N -2 0 398.487 3.482 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(C(=O)[O-])c1 ZINC000547550611 567218892 /nfs/dbraw/zinc/21/88/92/567218892.db2.gz VVWKLJOKDYQZPE-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cnn1CC(C)C ZINC000499289805 567235322 /nfs/dbraw/zinc/23/53/22/567235322.db2.gz ZRHTURSGRIGEBL-UHFFFAOYSA-N -2 0 385.873 3.308 20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000499515806 567254594 /nfs/dbraw/zinc/25/45/94/567254594.db2.gz RGZQRIRXEUBZEO-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL C[C@H](C(F)(F)F)S(=O)(=O)[N-]c1cc(F)c(NC(C)(C)C)cc1C(=O)[O-] ZINC000547888269 567256915 /nfs/dbraw/zinc/25/69/15/567256915.db2.gz FZGKJTZQTMPVMZ-SSDOTTSWSA-N -2 0 386.367 3.427 20 0 GGADRL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1Cl ZINC000433804075 567273348 /nfs/dbraw/zinc/27/33/48/567273348.db2.gz PAQIPJJAWOILQP-UHFFFAOYSA-N -2 0 385.825 3.090 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](c1cccc(C)c1)C(F)(F)F ZINC000567796867 567278732 /nfs/dbraw/zinc/27/87/32/567278732.db2.gz JNTOYEHYVAWBKO-CYBMUJFWSA-N -2 0 377.340 3.177 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)cs1 ZINC000475813168 567278703 /nfs/dbraw/zinc/27/87/03/567278703.db2.gz OKXQKNXOFXSBAP-UHFFFAOYSA-N -2 0 398.359 3.360 20 0 GGADRL CC(C)(C)OC(=O)c1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000567869903 567284937 /nfs/dbraw/zinc/28/49/37/567284937.db2.gz MBERKOQQQOWBAX-UHFFFAOYSA-N -2 0 383.447 3.202 20 0 GGADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1sccc1Br ZINC000548202029 567288796 /nfs/dbraw/zinc/28/87/96/567288796.db2.gz CPNFZMAFLDOKAZ-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1F ZINC000548262469 567300595 /nfs/dbraw/zinc/30/05/95/567300595.db2.gz UCVLOPDBYZGOOV-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000592006934 567308128 /nfs/dbraw/zinc/30/81/28/567308128.db2.gz NCUIUDXAMQIRQR-UHFFFAOYSA-N -2 0 382.825 3.106 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cnc(C(F)(F)F)cc2C)sc1C(=O)[O-] ZINC000685902165 567308985 /nfs/dbraw/zinc/30/89/85/567308985.db2.gz GSIZBAIELPVJIK-UHFFFAOYSA-N -2 0 380.369 3.278 20 0 GGADRL COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c1 ZINC000476275021 567310424 /nfs/dbraw/zinc/31/04/24/567310424.db2.gz RDDUAUUQOLUIJL-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000500299952 567312725 /nfs/dbraw/zinc/31/27/25/567312725.db2.gz UWVVBOYETPWICR-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000548521747 567321139 /nfs/dbraw/zinc/32/11/39/567321139.db2.gz CFQXUFADBIGBNM-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cccc(C)c2Cl)c(C(=O)[O-])cc1OC ZINC000548526054 567322027 /nfs/dbraw/zinc/32/20/27/567322027.db2.gz UPOUKUFRKVJCFI-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477391615 567392967 /nfs/dbraw/zinc/39/29/67/567392967.db2.gz JGNYJIHFMHWCOY-UHFFFAOYSA-N -2 0 382.825 3.106 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000477420871 567393453 /nfs/dbraw/zinc/39/34/53/567393453.db2.gz TULJWTHHKFQDHT-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)nc1 ZINC000549943618 567420729 /nfs/dbraw/zinc/42/07/29/567420729.db2.gz JNUCBTXSEUQWCY-UHFFFAOYSA-N -2 0 392.767 3.144 20 0 GGADRL O=C([O-])c1ccc([O-])c(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2F)c1 ZINC000436487189 567428238 /nfs/dbraw/zinc/42/82/38/567428238.db2.gz LAAHYDOFNGMCOO-UHFFFAOYSA-N -2 0 380.180 3.337 20 0 GGADRL CC(=O)c1ccc([O-])c([N-]S(=O)(=O)CCc2ccccc2Br)c1 ZINC000436604016 567436952 /nfs/dbraw/zinc/43/69/52/567436952.db2.gz IAKIDIXJFUBSBN-UHFFFAOYSA-N -2 0 398.278 3.342 20 0 GGADRL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc(F)cc(Br)c1[O-] ZINC000436642407 567440832 /nfs/dbraw/zinc/44/08/32/567440832.db2.gz IIGZVLWLYHPVOY-UHFFFAOYSA-N -2 0 393.172 3.037 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1O ZINC000436639985 567440888 /nfs/dbraw/zinc/44/08/88/567440888.db2.gz NIHHBNOCJCYECZ-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL Cc1nc2ccc([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3O)cc2s1 ZINC000436725115 567445331 /nfs/dbraw/zinc/44/53/31/567445331.db2.gz RAOJBKHTWBYKIA-UHFFFAOYSA-N -2 0 378.431 3.118 20 0 GGADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)c1 ZINC000436745847 567449477 /nfs/dbraw/zinc/44/94/77/567449477.db2.gz DUTQLUNLMPTQSY-UHFFFAOYSA-N -2 0 380.180 3.337 20 0 GGADRL O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cc(Br)ccc1[O-] ZINC000436795282 567452800 /nfs/dbraw/zinc/45/28/00/567452800.db2.gz YEAZRFAAIZGBKT-UHFFFAOYSA-N -2 0 376.235 3.347 20 0 GGADRL CCc1nc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cn1CC1CC1 ZINC000663255149 567488086 /nfs/dbraw/zinc/48/80/86/567488086.db2.gz IPOUJRGDFCBQKY-UHFFFAOYSA-N -2 0 383.857 3.008 20 0 GGADRL Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cc2)n1 ZINC000551445721 567506918 /nfs/dbraw/zinc/50/69/18/567506918.db2.gz ZCPZZLVOKUOHRN-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL COc1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc2s1 ZINC000551474837 567509883 /nfs/dbraw/zinc/50/98/83/567509883.db2.gz GBMJHCIDNKFDEH-UHFFFAOYSA-N -2 0 398.849 3.457 20 0 GGADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479258878 567518808 /nfs/dbraw/zinc/51/88/08/567518808.db2.gz YDDZNVICUBQUDA-UHFFFAOYSA-N -2 0 379.772 3.117 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(OC(F)F)c1 ZINC000504020877 567519378 /nfs/dbraw/zinc/51/93/78/567519378.db2.gz CQKRHWQYCNBGEC-UHFFFAOYSA-N -2 0 381.740 3.342 20 0 GGADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)cc1C(=O)[O-] ZINC000479294253 567524129 /nfs/dbraw/zinc/52/41/29/567524129.db2.gz SGBSFAUAXWQOIC-UHFFFAOYSA-N -2 0 383.857 3.235 20 0 GGADRL Cc1c(Br)cc([N-]S(=O)(=O)c2ccsc2)cc1C(=O)[O-] ZINC000504525349 567538373 /nfs/dbraw/zinc/53/83/73/567538373.db2.gz XGTDSKLNSIXTJH-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3)c2)cs1 ZINC000479551636 567543985 /nfs/dbraw/zinc/54/39/85/567543985.db2.gz FSNJSHLXRREGLU-UHFFFAOYSA-N -2 0 383.838 3.086 20 0 GGADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000505124432 567561566 /nfs/dbraw/zinc/56/15/66/567561566.db2.gz MLZFOIIMKUGHBX-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)(F)F)cs1 ZINC000505279901 567568351 /nfs/dbraw/zinc/56/83/51/567568351.db2.gz HBOMVQFEVBCALB-UHFFFAOYSA-N -2 0 399.343 3.327 20 0 GGADRL Cc1scnc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000530140522 567573278 /nfs/dbraw/zinc/57/32/78/567573278.db2.gz LJYLSEXWDAJLQW-UHFFFAOYSA-N -2 0 390.870 3.149 20 0 GGADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000480214842 567588680 /nfs/dbraw/zinc/58/86/80/567588680.db2.gz DUPMNGJILQOZQK-UHFFFAOYSA-N -2 0 390.244 3.430 20 0 GGADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000439627481 567597074 /nfs/dbraw/zinc/59/70/74/567597074.db2.gz UUCBQJNWUTUQOG-UHFFFAOYSA-N -2 0 385.800 3.327 20 0 GGADRL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000439624586 567597586 /nfs/dbraw/zinc/59/75/86/567597586.db2.gz WOUWZMGGKOLOTF-UHFFFAOYSA-N -2 0 385.800 3.327 20 0 GGADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506600626 567632527 /nfs/dbraw/zinc/63/25/27/567632527.db2.gz HDGWTTHTCVAVTK-UHFFFAOYSA-N -2 0 382.825 3.106 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)n[nH]2)s1 ZINC000531018917 567637156 /nfs/dbraw/zinc/63/71/56/567637156.db2.gz AZZKQYAVRXMMJP-UHFFFAOYSA-N -2 0 383.476 3.316 20 0 GGADRL O=S(=O)([N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1)c1ccsc1 ZINC000506722143 567639784 /nfs/dbraw/zinc/63/97/84/567639784.db2.gz OQJBCTYHOROFHC-UHFFFAOYSA-N -2 0 394.499 3.350 20 0 GGADRL CCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1C(=O)[O-] ZINC000440830077 567645601 /nfs/dbraw/zinc/64/56/01/567645601.db2.gz FULKVGNOUMYCPQ-UHFFFAOYSA-N -2 0 383.809 3.100 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000531629684 567670556 /nfs/dbraw/zinc/67/05/56/567670556.db2.gz UPGAKTCSMFWEMF-UHFFFAOYSA-N -2 0 377.390 3.199 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc(C(=O)[O-])c1 ZINC000507553567 567684980 /nfs/dbraw/zinc/68/49/80/567684980.db2.gz RYJXDHQGFFQSAV-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2F)cc(C(=O)[O-])c1 ZINC000507569696 567686222 /nfs/dbraw/zinc/68/62/22/567686222.db2.gz RTEFXUIYKDGEMH-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(Br)s2)cc(C(=O)[O-])c1 ZINC000507565541 567686413 /nfs/dbraw/zinc/68/64/13/567686413.db2.gz LNZDUHINQGXLPX-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2sccc2Br)cc(C(=O)[O-])c1 ZINC000507596071 567688944 /nfs/dbraw/zinc/68/89/44/567688944.db2.gz NIHCYIULHKHLBP-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc(C(=O)[O-])c1 ZINC000507584595 567689536 /nfs/dbraw/zinc/68/95/36/567689536.db2.gz RZKWEQOVZWXKFX-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1ccc([C@@H]([N-]S(=O)(=O)CCCC(F)(F)F)C(F)(F)F)cc1 ZINC000573203576 567695243 /nfs/dbraw/zinc/69/52/43/567695243.db2.gz MRANDHGDPVXNQY-SNVBAGLBSA-N -2 0 393.305 3.250 20 0 GGADRL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cc2O1 ZINC000442834720 567710990 /nfs/dbraw/zinc/71/09/90/567710990.db2.gz KSKBSJDJMNUCGF-INIZCTEOSA-N -2 0 383.447 3.453 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)ccc1C(=O)[O-] ZINC000507951231 567718441 /nfs/dbraw/zinc/71/84/41/567718441.db2.gz OTZUTCPENBLQRJ-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL Cc1c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc2nn1C ZINC000461328802 567728356 /nfs/dbraw/zinc/72/83/56/567728356.db2.gz AOGFBCDAIMXJPZ-UHFFFAOYSA-N -2 0 379.825 3.034 20 0 GGADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461342536 567730710 /nfs/dbraw/zinc/73/07/10/567730710.db2.gz IMJSYWIHFCQJFA-UHFFFAOYSA-N -2 0 399.343 3.414 20 0 GGADRL Cc1nn(C)c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)ccc12 ZINC000461344498 567730735 /nfs/dbraw/zinc/73/07/35/567730735.db2.gz UIYILGRVKFZCSR-UHFFFAOYSA-N -2 0 379.825 3.034 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1C(F)(F)F ZINC000532846273 567738879 /nfs/dbraw/zinc/73/88/79/567738879.db2.gz ZGNZKKUAYUNGGV-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C ZINC000532932789 567744621 /nfs/dbraw/zinc/74/46/21/567744621.db2.gz CGUYQMXDULTSCL-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL CCOc1cccc(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])c1 ZINC000443403247 567754655 /nfs/dbraw/zinc/75/46/55/567754655.db2.gz ACRGPOMQAATQJD-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)c1 ZINC000443417059 567756430 /nfs/dbraw/zinc/75/64/30/567756430.db2.gz KIUOYVSEDAOCLU-UHFFFAOYSA-N -2 0 399.343 3.327 20 0 GGADRL CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)cc(Cl)c1[O-])C(C)C ZINC000647129338 567763296 /nfs/dbraw/zinc/76/32/96/567763296.db2.gz SCHGAQNBXJBMDT-NSHDSACASA-N -2 0 386.695 3.221 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NCC(F)(F)F ZINC000462076425 567767516 /nfs/dbraw/zinc/76/75/16/567767516.db2.gz VLOVWTHLTKDTJD-UHFFFAOYSA-N -2 0 378.328 3.061 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)cc1C(=O)[O-] ZINC000462102774 567772082 /nfs/dbraw/zinc/77/20/82/567772082.db2.gz NALWQHVCNSLZAN-UHFFFAOYSA-N -2 0 385.825 3.252 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1F ZINC000533622761 567778133 /nfs/dbraw/zinc/77/81/33/567778133.db2.gz NXFRUQYZOQSHNP-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)cc1F ZINC000533627931 567778705 /nfs/dbraw/zinc/77/87/05/567778705.db2.gz XPYIGEUWVNZFOX-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000533691025 567781628 /nfs/dbraw/zinc/78/16/28/567781628.db2.gz JSIMIQANLADTBN-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cncc(Cl)c2)cc(C(F)(F)F)c1 ZINC000533878809 567791893 /nfs/dbraw/zinc/79/18/93/567791893.db2.gz WTHNPVMVBWSIKV-UHFFFAOYSA-N -2 0 380.731 3.253 20 0 GGADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C(F)F ZINC000534057771 567798575 /nfs/dbraw/zinc/79/85/75/567798575.db2.gz WLEDQSOAQVFJMG-UHFFFAOYSA-N -2 0 379.410 3.037 20 0 GGADRL Cc1cscc1[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000534237732 567804303 /nfs/dbraw/zinc/80/43/03/567804303.db2.gz WJWSOFQJFCJFAA-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)n[nH]2)c1 ZINC000444421795 567805500 /nfs/dbraw/zinc/80/55/00/567805500.db2.gz JDDUXUHERJZMQL-UHFFFAOYSA-N -2 0 377.447 3.254 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)n[nH]2)s1 ZINC000444424118 567805665 /nfs/dbraw/zinc/80/56/65/567805665.db2.gz VEHUGZBOQBTWMM-UHFFFAOYSA-N -2 0 377.447 3.254 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)cc1C(=O)[O-] ZINC000026541364 570426930 /nfs/dbraw/zinc/42/69/30/570426930.db2.gz ZAAWKURIUIQNEQ-UHFFFAOYSA-N -2 0 398.444 3.157 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C)O[C@H](C)C2 ZINC000012526407 570831216 /nfs/dbraw/zinc/83/12/16/570831216.db2.gz XGFSNQZQGZMJFL-GFCCVEGCSA-N -2 0 391.445 3.216 20 0 GGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)cc1)C(=O)[O-] ZINC000170594916 570852676 /nfs/dbraw/zinc/85/26/76/570852676.db2.gz HYJDLTLTRYSTFJ-NSHDSACASA-N -2 0 393.852 3.052 20 0 GGADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)cc1)C(=O)[O-] ZINC000170594917 570852883 /nfs/dbraw/zinc/85/28/83/570852883.db2.gz HYJDLTLTRYSTFJ-LLVKDONJSA-N -2 0 393.852 3.052 20 0 GGADRL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000170599563 570857870 /nfs/dbraw/zinc/85/78/70/570857870.db2.gz MOARXTDYBJZXNU-UHFFFAOYSA-N -2 0 399.852 3.254 20 0 GGADRL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000170604827 570862180 /nfs/dbraw/zinc/86/21/80/570862180.db2.gz DCTZTZZGJXTBTD-LLVKDONJSA-N -2 0 399.852 3.253 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c1Br ZINC000818950777 597302109 /nfs/dbraw/zinc/30/21/09/597302109.db2.gz GIXFOMPWMXVKDD-UHFFFAOYSA-N -2 0 384.251 3.185 20 0 GGADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000393004843 597312468 /nfs/dbraw/zinc/31/24/68/597312468.db2.gz WSWVFCZAKYKGFJ-UHFFFAOYSA-N -2 0 375.324 3.013 20 0 GGADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000385874512 597314680 /nfs/dbraw/zinc/31/46/80/597314680.db2.gz KBEMJLPEQPSEPN-UHFFFAOYSA-N -2 0 388.214 3.016 20 0 GGADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000819626091 597315078 /nfs/dbraw/zinc/31/50/78/597315078.db2.gz GMTLNFCKDCCPBF-UHFFFAOYSA-N -2 0 388.214 3.016 20 0 GGADRL Nc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1Cl ZINC000739202939 600231526 /nfs/dbraw/zinc/23/15/26/600231526.db2.gz DMXJDLRZRQDSIX-UHFFFAOYSA-N -2 0 397.186 3.353 20 0 GGADRL C/C(=C/C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccccc1Cl ZINC000736120054 599727703 /nfs/dbraw/zinc/72/77/03/599727703.db2.gz DQSUSTNPGKEAGZ-HJWRWDBZSA-N -2 0 385.850 3.008 20 0 GGADRL C[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC(C)(C)C1 ZINC000736757159 599728993 /nfs/dbraw/zinc/72/89/93/599728993.db2.gz YQHYGGFJBWIDHX-HIFRSBDPSA-N -2 0 381.494 3.183 20 0 GGADRL C/C(=C/C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000736120994 599729088 /nfs/dbraw/zinc/72/90/88/599729088.db2.gz NQOAPOYCBDIBGQ-BENRWUELSA-N -2 0 393.848 3.088 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2cccc(F)c2F)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC000736752569 599735058 /nfs/dbraw/zinc/73/50/58/599735058.db2.gz WNMFUAYXOOPIRJ-INIZCTEOSA-N -2 0 388.326 3.293 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1Cc1ccccc1 ZINC000738040889 599736353 /nfs/dbraw/zinc/73/63/53/599736353.db2.gz CTPOPLQTHVLVBW-UHFFFAOYSA-N -2 0 387.413 3.378 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2COCc2ccccc2)o1 ZINC000740187821 599738210 /nfs/dbraw/zinc/73/82/10/599738210.db2.gz XGFNDTIUCGDXID-UHFFFAOYSA-N -2 0 387.413 3.495 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3F)cc2)o1 ZINC000740187044 599738968 /nfs/dbraw/zinc/73/89/68/599738968.db2.gz CYZXTZGCCPJHKI-UHFFFAOYSA-N -2 0 391.376 3.497 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cccc1OCC(F)(F)F ZINC000738305885 599739846 /nfs/dbraw/zinc/73/98/46/599739846.db2.gz RZNRXNZIQGLRKP-UHFFFAOYSA-N -2 0 379.312 3.028 20 0 GGADRL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000068077190 599746931 /nfs/dbraw/zinc/74/69/31/599746931.db2.gz VVDOWLRTOSTVNP-UHFFFAOYSA-N -2 0 382.825 3.106 20 0 GGADRL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000737030422 599765510 /nfs/dbraw/zinc/76/55/10/599765510.db2.gz WZABGICRWQKNIP-UHFFFAOYSA-N -2 0 383.447 3.122 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCCCC2)o1 ZINC000740178017 599769391 /nfs/dbraw/zinc/76/93/91/599769391.db2.gz ZTTULBGAQKWVPW-UHFFFAOYSA-N -2 0 384.841 3.422 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)c1 ZINC000740235654 599800942 /nfs/dbraw/zinc/80/09/42/599800942.db2.gz IROMCJNTBOLFST-RBUKOAKNSA-N -2 0 395.436 3.147 20 0 GGADRL CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)cc2)n1 ZINC000736537956 599801225 /nfs/dbraw/zinc/80/12/25/599801225.db2.gz MNRFZOMMMZCBKM-UHFFFAOYSA-N -2 0 393.446 3.421 20 0 GGADRL Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000738785948 599801828 /nfs/dbraw/zinc/80/18/28/599801828.db2.gz PARHEUWPDNFQKK-UHFFFAOYSA-N -2 0 389.351 3.435 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C(F)(F)F)s2)o1 ZINC000740187716 599802635 /nfs/dbraw/zinc/80/26/35/599802635.db2.gz QIQAIEZCMSVVGJ-UHFFFAOYSA-N -2 0 392.336 3.407 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3n2-c2ccccc2)o1 ZINC000740186338 599802734 /nfs/dbraw/zinc/80/27/34/599802734.db2.gz KFPRUGJUWQHXOE-UHFFFAOYSA-N -2 0 383.385 3.118 20 0 GGADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c(C(=O)[O-])s1 ZINC000737679682 599813492 /nfs/dbraw/zinc/81/34/92/599813492.db2.gz CCSPHZQJRNALOQ-UHFFFAOYSA-N -2 0 391.426 3.187 20 0 GGADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)c(C(=O)[O-])s1 ZINC000737680246 599813498 /nfs/dbraw/zinc/81/34/98/599813498.db2.gz GMUJFKHTYPZULK-UHFFFAOYSA-N -2 0 383.447 3.157 20 0 GGADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000737718478 599815149 /nfs/dbraw/zinc/81/51/49/599815149.db2.gz SJRLVORBZNHEAK-UHFFFAOYSA-N -2 0 383.447 3.157 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)[O-])c(F)c1 ZINC000404990210 599850086 /nfs/dbraw/zinc/85/00/86/599850086.db2.gz ZSHZEINDIKQGKS-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cn1ccnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000739048059 599851585 /nfs/dbraw/zinc/85/15/85/599851585.db2.gz LZZGYWFKLXSNJS-UHFFFAOYSA-N -2 0 395.487 3.132 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccnc2OCc2ccccc2)c1 ZINC000591683236 599851956 /nfs/dbraw/zinc/85/19/56/599851956.db2.gz PJXBUNMRBGSCDX-UHFFFAOYSA-N -2 0 384.413 3.160 20 0 GGADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000392734901 599853144 /nfs/dbraw/zinc/85/31/44/599853144.db2.gz SEAMQWXKPKGSKB-UHFFFAOYSA-N -2 0 384.797 3.066 20 0 GGADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000327050377 599854268 /nfs/dbraw/zinc/85/42/68/599854268.db2.gz PJAHXKYEKNPTHL-UHFFFAOYSA-N -2 0 384.797 3.066 20 0 GGADRL COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000737680778 599858687 /nfs/dbraw/zinc/85/86/87/599858687.db2.gz HZWOESGUVDTIPW-FQEVSTJZSA-N -2 0 391.420 3.171 20 0 GGADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000738473547 599859168 /nfs/dbraw/zinc/85/91/68/599859168.db2.gz SUCDALORIUHESJ-HXUWFJFHSA-N -2 0 377.437 3.458 20 0 GGADRL Cc1ccc(-c2nsc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)n2)s1 ZINC000738251252 599865126 /nfs/dbraw/zinc/86/51/26/599865126.db2.gz ZVJBLQBRRCZVMR-UHFFFAOYSA-N -2 0 381.460 3.074 20 0 GGADRL Cc1ccc(-c2nsc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)n2)s1 ZINC000738494398 599865222 /nfs/dbraw/zinc/86/52/22/599865222.db2.gz IXDNIDOTSGVZBL-UHFFFAOYSA-N -2 0 395.487 3.382 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000319747687 599875112 /nfs/dbraw/zinc/87/51/12/599875112.db2.gz AQXGBLMSBQXCSZ-UHFFFAOYSA-N -2 0 376.799 3.117 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000324048742 599875940 /nfs/dbraw/zinc/87/59/40/599875940.db2.gz TYTSPRXWFLTDQE-UHFFFAOYSA-N -2 0 381.353 3.454 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C)O[C@@H](C)C2 ZINC000477393066 599905354 /nfs/dbraw/zinc/90/53/54/599905354.db2.gz APVMYVMMYCRKNB-NSHDSACASA-N -2 0 391.445 3.216 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1-c1n[nH]c(C2CC2)n1 ZINC000477425696 599906379 /nfs/dbraw/zinc/90/63/79/599906379.db2.gz OJQZABUGZHABDX-UHFFFAOYSA-N -2 0 398.444 3.157 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477390652 599907211 /nfs/dbraw/zinc/90/72/11/599907211.db2.gz DUDQVQKWHXZKFQ-UHFFFAOYSA-N -2 0 392.458 3.421 20 0 GGADRL O=C([O-])COc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000738618934 599924447 /nfs/dbraw/zinc/92/44/47/599924447.db2.gz GKXDSGYNSONBPF-UHFFFAOYSA-N -2 0 393.314 3.109 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)s1 ZINC000740187767 599925173 /nfs/dbraw/zinc/92/51/73/599925173.db2.gz UVHABCQCPJVSFP-UHFFFAOYSA-N -2 0 393.471 3.188 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000737908594 599926750 /nfs/dbraw/zinc/92/67/50/599926750.db2.gz FLCRUCPEDGLQDE-UHFFFAOYSA-N -2 0 384.460 3.174 20 0 GGADRL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3C(=O)[O-])cc12 ZINC000738955905 599927438 /nfs/dbraw/zinc/92/74/38/599927438.db2.gz VHDOCHSUUQFJKI-UHFFFAOYSA-N -2 0 375.406 3.154 20 0 GGADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000484981585 599938472 /nfs/dbraw/zinc/93/84/72/599938472.db2.gz SSVAPLGSJGQDSD-LBPRGKRZSA-N -2 0 391.445 3.296 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC000740235795 599965702 /nfs/dbraw/zinc/96/57/02/599965702.db2.gz PZNHKVACQXBCEW-OALUTQOASA-N -2 0 395.436 3.147 20 0 GGADRL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)sc2C1 ZINC000736940756 599966439 /nfs/dbraw/zinc/96/64/39/599966439.db2.gz UDAKSOQRKSWLDZ-NSHDSACASA-N -2 0 380.491 3.465 20 0 GGADRL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2)o1 ZINC000738803483 599974849 /nfs/dbraw/zinc/97/48/49/599974849.db2.gz TVOPCOOFXMMFRA-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL Cc1cc([C@@H]2NC(=O)N(Cc3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])ccc1F ZINC000736749764 599986615 /nfs/dbraw/zinc/98/66/15/599986615.db2.gz FEIGCKZLFPNPKM-SFHVURJKSA-N -2 0 398.390 3.457 20 0 GGADRL Cc1cc(F)ccc1[C@@H]1NC(=O)N(Cc2ccc(C(=O)[O-])cc2)C(C)=C1C(=O)[O-] ZINC000736752546 599986880 /nfs/dbraw/zinc/98/68/80/599986880.db2.gz WHYNZJYAZUHHII-SFHVURJKSA-N -2 0 398.390 3.457 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(Cl)s2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736749550 599987816 /nfs/dbraw/zinc/98/78/16/599987816.db2.gz CNQNPUNYASSGRM-CQSZACIVSA-N -2 0 386.857 3.471 20 0 GGADRL Cc1cc([C@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc(C)c1O ZINC000736748194 599987844 /nfs/dbraw/zinc/98/78/44/599987844.db2.gz WLYCCEAQOQRSMJ-QGZVFWFLSA-N -2 0 390.436 3.079 20 0 GGADRL Cc1cc(F)ccc1[C@@H]1NC(=O)N(CCCCCC(=O)[O-])C(C)=C1C(=O)[O-] ZINC000736749868 599987937 /nfs/dbraw/zinc/98/79/37/599987937.db2.gz GBURZROZZHTTAE-KRWDZBQOSA-N -2 0 378.400 3.204 20 0 GGADRL CCc1ccc([C@@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])s1 ZINC000737260179 599988218 /nfs/dbraw/zinc/98/82/18/599988218.db2.gz BIWLBRLKZIIRQH-INIZCTEOSA-N -2 0 380.466 3.380 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2c(F)cccc2Cl)NC(=O)N1CCCCC(=O)[O-] ZINC000736745380 599988770 /nfs/dbraw/zinc/98/87/70/599988770.db2.gz IIBKARKDLQQXQK-HNNXBMFYSA-N -2 0 384.791 3.159 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(OC(C)C)cc2)NC(=O)N1CCCCC(=O)[O-] ZINC000736750609 599988943 /nfs/dbraw/zinc/98/89/43/599988943.db2.gz LFPCGZDRLUJZEZ-GOSISDBHSA-N -2 0 390.436 3.154 20 0 GGADRL CCC1=C(C(=O)[O-])[C@H](c2ccccc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932252 599988956 /nfs/dbraw/zinc/98/89/56/599988956.db2.gz ONARHSTZQCJNDC-KRWDZBQOSA-N -2 0 378.400 3.286 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2ccccc2F)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736749456 599992646 /nfs/dbraw/zinc/99/26/46/599992646.db2.gz BXKTVKRFUZXAQI-QGZVFWFLSA-N -2 0 384.363 3.149 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2N2CCCCC2)s1 ZINC000740178007 599996330 /nfs/dbraw/zinc/99/63/30/599996330.db2.gz ZKDMZIKYDREYNF-UHFFFAOYSA-N -2 0 384.454 3.377 20 0 GGADRL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000067244078 600004290 /nfs/dbraw/zinc/00/42/90/600004290.db2.gz VSQNGDSDNABOOW-UHFFFAOYSA-N -2 0 390.461 3.058 20 0 GGADRL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000067244079 600004378 /nfs/dbraw/zinc/00/43/78/600004378.db2.gz SSHCEYZJIVQJOM-UHFFFAOYSA-N -2 0 390.461 3.058 20 0 GGADRL CCC1=C(C(=O)[O-])[C@H](c2cccs2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736932199 600004948 /nfs/dbraw/zinc/00/49/48/600004948.db2.gz MZCOGTFHZMFNDE-INIZCTEOSA-N -2 0 386.429 3.462 20 0 GGADRL Cc1ccc([C@@H]2NC(=O)N(Cc3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])cc1F ZINC000736749408 600016941 /nfs/dbraw/zinc/01/69/41/600016941.db2.gz BNABBTMTDKITGK-SFHVURJKSA-N -2 0 398.390 3.457 20 0 GGADRL Cc1ccc([C@H]2NC(=O)N(c3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])cc1F ZINC000736751444 600017312 /nfs/dbraw/zinc/01/73/12/600017312.db2.gz PUOFVRBHQOLGIE-QGZVFWFLSA-N -2 0 384.363 3.462 20 0 GGADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]C(=O)CCCCCc2cccs2)cc1 ZINC000739234764 600023286 /nfs/dbraw/zinc/02/32/86/600023286.db2.gz WUXCOPCBTKVNHE-UHFFFAOYSA-N -2 0 395.502 3.195 20 0 GGADRL O=C([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)[N-]C(=O)CCC2CCCC2)c1 ZINC000739233268 600045081 /nfs/dbraw/zinc/04/50/81/600045081.db2.gz AXLGNICZRIWFSX-UHFFFAOYSA-N -2 0 393.383 3.179 20 0 GGADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000327094550 600050927 /nfs/dbraw/zinc/05/09/27/600050927.db2.gz 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CCOc1ncccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000327031177 600052807 /nfs/dbraw/zinc/05/28/07/600052807.db2.gz FVXMRMPNCLKVJZ-UHFFFAOYSA-N -2 0 378.431 3.194 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c(C(=O)[O-])c1 ZINC000738633026 600053129 /nfs/dbraw/zinc/05/31/29/600053129.db2.gz VNNOQWABABLCPC-UHFFFAOYSA-N -3 0 391.426 3.407 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])ccc1C(=O)[O-] ZINC000738461481 600053257 /nfs/dbraw/zinc/05/32/57/600053257.db2.gz FCYSJZKFHGGRDQ-UHFFFAOYSA-N -3 0 391.426 3.407 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)c2ccccc12 ZINC000737210602 600053501 /nfs/dbraw/zinc/05/35/01/600053501.db2.gz NFISFWBDRLVXTH-UHFFFAOYSA-N -2 0 392.458 3.123 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n(-c2ccccc2C)n1 ZINC000738462803 600053578 /nfs/dbraw/zinc/05/35/78/600053578.db2.gz YNBUELFMCJGWDR-UHFFFAOYSA-N -2 0 385.445 3.297 20 0 GGADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000740078908 600053846 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20 0 GGADRL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])sc2C1 ZINC000736940728 600054767 /nfs/dbraw/zinc/05/47/67/600054767.db2.gz TYQITTDYTLBEKO-JTQLQIEISA-N -2 0 384.479 3.367 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3)s2)c1 ZINC000740277889 600054880 /nfs/dbraw/zinc/05/48/80/600054880.db2.gz PQTKJKKXWTYENC-UHFFFAOYSA-N -2 0 380.472 3.294 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n(Cc2ccccc2)n1 ZINC000738462743 600055088 /nfs/dbraw/zinc/05/50/88/600055088.db2.gz WLLTYLVWWXGWSP-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n(C(C)(C)C)n1 ZINC000736294192 600055696 /nfs/dbraw/zinc/05/56/96/600055696.db2.gz KERKPTAEVYHMCT-UHFFFAOYSA-N -2 0 385.511 3.496 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n(-c2ccccc2F)n1 ZINC000738463751 600055916 /nfs/dbraw/zinc/05/59/16/600055916.db2.gz UPNSGADHOBIESO-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3F)s2)c1 ZINC000740279145 600056086 /nfs/dbraw/zinc/05/60/86/600056086.db2.gz XSLZDLAWMXDWEN-UHFFFAOYSA-N -2 0 398.462 3.434 20 0 GGADRL CC(C)[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000736353480 600056620 /nfs/dbraw/zinc/05/66/20/600056620.db2.gz OYUUSYWSTHGIMW-ZDUSSCGKSA-N -2 0 381.475 3.081 20 0 GGADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])cn1 ZINC000736305683 600057004 /nfs/dbraw/zinc/05/70/04/600057004.db2.gz LHEJPFIUNYMYJI-UHFFFAOYSA-N -2 0 391.371 3.156 20 0 GGADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000738045138 600057188 /nfs/dbraw/zinc/05/71/88/600057188.db2.gz YVIYQWVNMTVLCT-UHFFFAOYSA-N -2 0 383.422 3.191 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccnn2-c2cccc(Cl)c2)c1 ZINC000738688809 600057325 /nfs/dbraw/zinc/05/73/25/600057325.db2.gz LTYXJSFABIUIKD-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000738044266 600057392 /nfs/dbraw/zinc/05/73/92/600057392.db2.gz MDCLPSXXAXNBPP-UHFFFAOYSA-N 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ZINC000740143647 600096777 /nfs/dbraw/zinc/09/67/77/600096777.db2.gz JBWBNMXDGGPHFE-UHFFFAOYSA-N -2 0 376.365 3.343 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2C(=O)[O-])cn1 ZINC000589435880 600097007 /nfs/dbraw/zinc/09/70/07/600097007.db2.gz KWWOFHWKIGCANC-UHFFFAOYSA-N -2 0 387.417 3.194 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccnn2[C@H]2CCCc3ccccc32)c1 ZINC000740235679 600100298 /nfs/dbraw/zinc/10/02/98/600100298.db2.gz JAGSOEIXMSDYAB-SFHVURJKSA-N -2 0 397.456 3.308 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1C(=O)[O-] ZINC000738357489 600100903 /nfs/dbraw/zinc/10/09/03/600100903.db2.gz JBVVIJGHUGPCLL-UHFFFAOYSA-N -2 0 382.369 3.031 20 0 GGADRL CCc1ccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)cc1 ZINC000737267040 600101608 /nfs/dbraw/zinc/10/16/08/600101608.db2.gz BBKYKZPFUWSQFT-UHFFFAOYSA-N -2 0 377.447 3.061 20 0 GGADRL CCCc1ccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)cc1 ZINC000737049817 600101691 /nfs/dbraw/zinc/10/16/91/600101691.db2.gz FHKHHLTURQOLEO-UHFFFAOYSA-N -2 0 391.474 3.451 20 0 GGADRL Cc1ccc(/C=C/S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)cc1 ZINC000738583971 600102258 /nfs/dbraw/zinc/10/22/58/600102258.db2.gz VJYPANGQUIOYQQ-BQYQJAHWSA-N -2 0 389.458 3.419 20 0 GGADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccc(Cl)cc3C)nc2n1 ZINC000738345161 600102476 /nfs/dbraw/zinc/10/24/76/600102476.db2.gz FLMZDXFQDYGNPA-UHFFFAOYSA-N -2 0 397.865 3.461 20 0 GGADRL O=C([O-])CC[C@H](NC(=O)c1cccc(Br)c1[O-])c1ccccc1 ZINC000739662391 600103083 /nfs/dbraw/zinc/10/30/83/600103083.db2.gz BNHBAZFRFAPGDD-AWEZNQCLSA-N -2 0 378.222 3.491 20 0 GGADRL O=C([O-])c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000740143176 600104144 /nfs/dbraw/zinc/10/41/44/600104144.db2.gz GAPLAHYGTPVGSN-UHFFFAOYSA-N -2 0 382.388 3.064 20 0 GGADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)cc1 ZINC000739826909 600104283 /nfs/dbraw/zinc/10/42/83/600104283.db2.gz ZDRHNJOVYSHOKR-UHFFFAOYSA-N -2 0 384.413 3.013 20 0 GGADRL 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3.395 20 0 GGADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000443377917 601047010 /nfs/dbraw/zinc/04/70/10/601047010.db2.gz ZVEFJRYYICUQJS-UHFFFAOYSA-N -2 0 397.424 3.132 20 0 GGADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1OC ZINC000484980768 601049438 /nfs/dbraw/zinc/04/94/38/601049438.db2.gz NTPLBOCXYXETON-UHFFFAOYSA-N -2 0 379.434 3.326 20 0 GGADRL O=C([O-])c1cc(Oc2ccc(Cl)cc2)ccc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000740086972 601050386 /nfs/dbraw/zinc/05/03/86/601050386.db2.gz FDJMPSQKOOJLQR-UHFFFAOYSA-N -2 0 393.808 3.354 20 0 GGADRL CCn1nc(C)c([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1C ZINC000737308951 601051305 /nfs/dbraw/zinc/05/13/05/601051305.db2.gz BHYSXLNMVNGEEC-UHFFFAOYSA-N -2 0 379.463 3.234 20 0 GGADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1O ZINC000738399763 601117248 /nfs/dbraw/zinc/11/72/48/601117248.db2.gz ROLJJAVRKMIONB-UHFFFAOYSA-N -2 0 385.825 3.008 20 0 GGADRL C/C(=C/C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000825724876 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PPXRWXYSAZHXOZ-UHFFFAOYSA-N -2 0 397.352 3.154 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2nc(C)sc2c1 ZINC000831946314 601150389 /nfs/dbraw/zinc/15/03/89/601150389.db2.gz SZEUAJJQMAYDPQ-UHFFFAOYSA-N -2 0 384.460 3.174 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000831946631 601151357 /nfs/dbraw/zinc/15/13/57/601151357.db2.gz VUWROVXENBRDEV-UHFFFAOYSA-N -2 0 398.849 3.457 20 0 GGADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000833227725 601193219 /nfs/dbraw/zinc/19/32/19/601193219.db2.gz BDWMLANRQPDUNY-UHFFFAOYSA-N -2 0 397.836 3.057 20 0 GGADRL CCN(c1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)cc1)C(C)C ZINC000829740647 601200523 /nfs/dbraw/zinc/20/05/23/601200523.db2.gz OEZWDUBMIUSFLQ-UHFFFAOYSA-N -2 0 398.506 3.490 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000831950699 601201008 /nfs/dbraw/zinc/20/10/08/601201008.db2.gz VZUGGYQIMDOVPN-UHFFFAOYSA-N -2 0 396.471 3.379 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccnn1[C@H](C)CC(C)C ZINC000831950377 601201059 /nfs/dbraw/zinc/20/10/59/601201059.db2.gz SACMNFACQPIQEP-SNVBAGLBSA-N -2 0 387.483 3.059 20 0 GGADRL CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)c1 ZINC000828765101 601202462 /nfs/dbraw/zinc/20/24/62/601202462.db2.gz WGBBHCILSFJJRR-JTQLQIEISA-N -2 0 385.463 3.433 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1F ZINC000831946019 601204406 /nfs/dbraw/zinc/20/44/06/601204406.db2.gz PHXQSKSXWREJGV-UHFFFAOYSA-N -2 0 389.426 3.182 20 0 GGADRL O=C([O-])[C@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)Cc1ccc(O)cc1 ZINC000833133201 601210688 /nfs/dbraw/zinc/21/06/88/601210688.db2.gz IITFOOBHUCPQDG-JTQLQIEISA-N -2 0 384.215 3.078 20 0 GGADRL CCOc1ccc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)sc2c1 ZINC000830094481 601229068 /nfs/dbraw/zinc/22/90/68/601229068.db2.gz HPFXKYXLPQHILK-UHFFFAOYSA-N -2 0 382.419 3.095 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N(C)C)cc1C(=O)[O-] ZINC000833026964 601229720 /nfs/dbraw/zinc/22/97/20/601229720.db2.gz LUWRILTWADOJRT-UHFFFAOYSA-N -2 0 392.355 3.172 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(F)(F)F)cc1C(=O)[O-] ZINC000833030461 601230890 /nfs/dbraw/zinc/23/08/90/601230890.db2.gz XQNPMOXZGZNURK-UHFFFAOYSA-N -2 0 392.355 3.172 20 0 GGADRL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1F ZINC000833295379 601231819 /nfs/dbraw/zinc/23/18/19/601231819.db2.gz SWEOHIKRMGWYEP-ZDUSSCGKSA-N -2 0 395.305 3.245 20 0 GGADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)cc2)oc1C ZINC000832991084 601232956 /nfs/dbraw/zinc/23/29/56/601232956.db2.gz MJKIHTOUGNSQMM-UHFFFAOYSA-N -2 0 376.390 3.359 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2C)cc1C(=O)[O-] ZINC000833029996 601234467 /nfs/dbraw/zinc/23/44/67/601234467.db2.gz PPQMXQVUVBTMJY-UHFFFAOYSA-N -2 0 393.339 3.337 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1 ZINC000751142947 601234726 /nfs/dbraw/zinc/23/47/26/601234726.db2.gz PPKSOLZTBMNBBE-UHFFFAOYSA-N -2 0 376.365 3.343 20 0 GGADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000833185494 601236263 /nfs/dbraw/zinc/23/62/63/601236263.db2.gz XKKHJPYEXUPEOA-SJORKVTESA-N -2 0 393.505 3.430 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccco4)nc3c2)c1 ZINC000481462186 601249746 /nfs/dbraw/zinc/24/97/46/601249746.db2.gz HXZFEVSLQKVKCO-UHFFFAOYSA-N -2 0 389.414 3.383 20 0 GGADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC000830254210 601250975 /nfs/dbraw/zinc/25/09/75/601250975.db2.gz VJLDDWZMLWMQIV-UHFFFAOYSA-N -2 0 389.351 3.472 20 0 GGADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCCc2ccc(NC(=O)[O-])cc2)n1 ZINC000832889216 601289116 /nfs/dbraw/zinc/28/91/16/601289116.db2.gz FMMYEADQVWCHRL-UHFFFAOYSA-N -2 0 398.394 3.088 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])ccc1Br ZINC000832097474 601319358 /nfs/dbraw/zinc/31/93/58/601319358.db2.gz ANLLRCBWDHLAMO-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)O[C@H](C)C2 ZINC000013256351 601319652 /nfs/dbraw/zinc/31/96/52/601319652.db2.gz FIZVWPJABBLXIZ-SNVBAGLBSA-N -2 0 395.408 3.047 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c1C ZINC000672813063 601320338 /nfs/dbraw/zinc/32/03/38/601320338.db2.gz GAHJJKLWSMWEAX-UHFFFAOYSA-N -2 0 383.429 3.259 20 0 GGADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000833011045 601320996 /nfs/dbraw/zinc/32/09/96/601320996.db2.gz CMENOEVZUDEHEV-RAXLEYEMSA-N -2 0 397.456 3.388 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2cnc(C)o2)cc1 ZINC000026540059 601321224 /nfs/dbraw/zinc/32/12/24/601321224.db2.gz KXTLNVQKXDLSID-UHFFFAOYSA-N -2 0 388.401 3.158 20 0 GGADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000832431942 601323152 /nfs/dbraw/zinc/32/31/52/601323152.db2.gz VMMULMZCRNCZDS-WTKPLQERSA-N -2 0 399.371 3.195 20 0 GGADRL COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000832431941 601323226 /nfs/dbraw/zinc/32/32/26/601323226.db2.gz VMMULMZCRNCZDS-RUDMXATFSA-N -2 0 399.371 3.195 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nccnc3c2)c(Cl)cc1Cl ZINC000327391972 601324182 /nfs/dbraw/zinc/32/41/82/601324182.db2.gz RUIYWZAMYDOQJK-UHFFFAOYSA-N -2 0 398.227 3.436 20 0 GGADRL CCOc1ncccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000392137971 601324468 /nfs/dbraw/zinc/32/44/68/601324468.db2.gz BSFKHLKUKRKZEV-UHFFFAOYSA-N -2 0 391.232 3.286 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCC(C)C ZINC000048382830 601324942 /nfs/dbraw/zinc/32/49/42/601324942.db2.gz OJKFPIZKNOJDCR-UHFFFAOYSA-N -2 0 379.434 3.229 20 0 GGADRL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1 ZINC000057123700 601325377 /nfs/dbraw/zinc/32/53/77/601325377.db2.gz DICZJNZRCHVEBI-LBPRGKRZSA-N -2 0 379.434 3.372 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)c1C ZINC000071946541 601325500 /nfs/dbraw/zinc/32/55/00/601325500.db2.gz BDTHKSPDUGNXCE-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cn1 ZINC000755258871 601327184 /nfs/dbraw/zinc/32/71/84/601327184.db2.gz KGXOWNIBXKMYAI-UHFFFAOYSA-N -2 0 392.264 3.444 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1C ZINC000524813516 601332599 /nfs/dbraw/zinc/33/25/99/601332599.db2.gz WPQMERBTPFYZMZ-UHFFFAOYSA-N -2 0 391.445 3.165 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000438769718 601333209 /nfs/dbraw/zinc/33/32/09/601333209.db2.gz CIWHLMOIOQQKQI-UHFFFAOYSA-N -2 0 389.351 3.299 20 0 GGADRL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000832933787 601333244 /nfs/dbraw/zinc/33/32/44/601333244.db2.gz GJXMINPAZSYEMY-UHFFFAOYSA-N -2 0 390.244 3.293 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1Br ZINC000147469964 601333465 /nfs/dbraw/zinc/33/34/65/601333465.db2.gz WYMIRMQBXBKNQX-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(-c2nc(C3CC3)no2)c1 ZINC000476391848 601334771 /nfs/dbraw/zinc/33/47/71/601334771.db2.gz LTCHKBLRTSEQDR-UHFFFAOYSA-N -2 0 399.428 3.421 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2nc(C)c(C(=O)[O-])s2)sc1Br ZINC000832904527 601338956 /nfs/dbraw/zinc/33/89/56/601338956.db2.gz PXTXLJXGVXEBLX-UHFFFAOYSA-N -2 0 397.297 3.083 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)ccc1Br ZINC000035426991 601357177 /nfs/dbraw/zinc/35/71/77/601357177.db2.gz OHZUQGFVVGKOOF-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)sc2C1 ZINC000829134325 601358234 /nfs/dbraw/zinc/35/82/34/601358234.db2.gz SWZZGPRYNZXQLC-SECBINFHSA-N -2 0 384.454 3.296 20 0 GGADRL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000826763492 601358326 /nfs/dbraw/zinc/35/83/26/601358326.db2.gz BFGLNURNJHNGSG-MRZGDXHCSA-N -2 0 377.466 3.389 20 0 GGADRL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3OC)sc2C1 ZINC000829134048 601358372 /nfs/dbraw/zinc/35/83/72/601358372.db2.gz KTGZSDBZMXRXBU-JTQLQIEISA-N -2 0 396.490 3.166 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccc(C)cc2s1 ZINC000392299972 601358388 /nfs/dbraw/zinc/35/83/88/601358388.db2.gz DSMPRYSCQKWEBL-UHFFFAOYSA-N -2 0 378.431 3.112 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n(Cc2ccccc2)n1 ZINC000832900032 601358843 /nfs/dbraw/zinc/35/88/43/601358843.db2.gz YGFNPESKMLPENC-XFXZXTDPSA-N -2 0 397.456 3.138 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C)sc1C(=O)[O-] ZINC000832923567 601358997 /nfs/dbraw/zinc/35/89/97/601358997.db2.gz PQMITEGGJWRAJR-UHFFFAOYSA-N -2 0 380.369 3.278 20 0 GGADRL O=C([O-])c1cc(-c2csc([N-]S(=O)(=O)/C=C/c3ccc(F)cc3)n2)c[nH]1 ZINC000833294998 601359301 /nfs/dbraw/zinc/35/93/01/601359301.db2.gz VTMRIFWZDJQOQD-AATRIKPKSA-N -2 0 393.421 3.388 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC000832204172 601360574 /nfs/dbraw/zinc/36/05/74/601360574.db2.gz HTKLVSAZSGZKJZ-UHFFFAOYSA-N -2 0 384.413 3.256 20 0 GGADRL CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1C ZINC000829895812 601361051 /nfs/dbraw/zinc/36/10/51/601361051.db2.gz XODJJVSOQAFPDG-TWGQIWQCSA-N -2 0 395.458 3.132 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)ccc1Br ZINC000321936160 601361150 /nfs/dbraw/zinc/36/11/50/601361150.db2.gz KDFUPWMDNZKUJA-WTKPLQERSA-N -2 0 397.250 3.051 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nc(-c3ccccc3)ns2)c1C ZINC000832866882 601361988 /nfs/dbraw/zinc/36/19/88/601361988.db2.gz YTQJZPOLEHUWIL-UHFFFAOYSA-N -2 0 389.458 3.321 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)ns2)cc1C(=O)[O-] ZINC000832956524 601362158 /nfs/dbraw/zinc/36/21/58/601362158.db2.gz KTNJWQGGZKSSHV-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)no1 ZINC000827113244 601362524 /nfs/dbraw/zinc/36/25/24/601362524.db2.gz YYMQVGKIOBECEE-UHFFFAOYSA-N -2 0 389.227 3.060 20 0 GGADRL COCCc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1 ZINC000831795752 601362816 /nfs/dbraw/zinc/36/28/16/601362816.db2.gz IUSUIAPPXLKYCE-UHFFFAOYSA-N -2 0 398.506 3.129 20 0 GGADRL CCc1ccc(CC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(=O)OC)c1 ZINC000830245223 601365626 /nfs/dbraw/zinc/36/56/26/601365626.db2.gz SPISPDPILWMEFM-UHFFFAOYSA-N -2 0 391.445 3.097 20 0 GGADRL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(F)cc(Cl)c2[O-])cc1OC ZINC000832235407 601385917 /nfs/dbraw/zinc/38/59/17/601385917.db2.gz KCRVMNQIHLLSAA-CYBMUJFWSA-N -2 0 397.786 3.148 20 0 GGADRL O=C([O-])C[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1cccs1 ZINC000833200348 601387137 /nfs/dbraw/zinc/38/71/37/601387137.db2.gz OKCDMMPNSLQXND-LBPRGKRZSA-N -2 0 391.836 3.239 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)C(C)(C)C)cc1 ZINC000426007342 601387315 /nfs/dbraw/zinc/38/73/15/601387315.db2.gz JTTZXXYEJLMQPB-UHFFFAOYSA-N -2 0 391.445 3.423 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000833344271 601402926 /nfs/dbraw/zinc/40/29/26/601402926.db2.gz JIALFPMSGYWZSL-UHFFFAOYSA-N -2 0 389.458 3.310 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1OC(F)F ZINC000508007115 601474785 /nfs/dbraw/zinc/47/47/85/601474785.db2.gz AUWZCNGMWLAYFO-UHFFFAOYSA-N -2 0 387.360 3.104 20 0 GGADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(=O)[O-])o1 ZINC000829885516 601474826 /nfs/dbraw/zinc/47/48/26/601474826.db2.gz PAQDMWAEMYSFJP-UHFFFAOYSA-N -2 0 381.406 3.079 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c(F)cc1F ZINC000833305834 601476155 /nfs/dbraw/zinc/47/61/55/601476155.db2.gz CYWBQJRGXHRENN-UHFFFAOYSA-N -2 0 393.314 3.108 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc(F)c1F ZINC000751141539 601484550 /nfs/dbraw/zinc/48/45/50/601484550.db2.gz DYQDIPCEKPJSFO-UHFFFAOYSA-N -2 0 383.372 3.253 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc(F)c1F ZINC000751143851 601484749 /nfs/dbraw/zinc/48/47/49/601484749.db2.gz UIANFVWIWOGQDL-UHFFFAOYSA-N -2 0 397.277 3.188 20 0 GGADRL CCSCc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000830169291 601485121 /nfs/dbraw/zinc/48/51/21/601485121.db2.gz QCHPYOKWZFPLGQ-UHFFFAOYSA-N -2 0 386.882 3.487 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(F)c1 ZINC000833345370 601485343 /nfs/dbraw/zinc/48/53/43/601485343.db2.gz ROZWQSYKBZMORA-UHFFFAOYSA-N -2 0 386.426 3.103 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c(Cl)cc1F ZINC000833303929 601488148 /nfs/dbraw/zinc/48/81/48/601488148.db2.gz AHFMVVINDKYWSZ-UHFFFAOYSA-N -2 0 395.799 3.368 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)c1 ZINC000432496291 601491831 /nfs/dbraw/zinc/49/18/31/601491831.db2.gz USJRNMKMJLRUSU-UHFFFAOYSA-N -2 0 391.430 3.175 20 0 GGADRL CCCCCc1nnc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)s1 ZINC000829373462 601502429 /nfs/dbraw/zinc/50/24/29/601502429.db2.gz XELBGWPKPKMMMM-FLIBITNWSA-N -2 0 381.479 3.169 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000832918508 601503793 /nfs/dbraw/zinc/50/37/93/601503793.db2.gz LUQNHJJIIRFCOB-UHFFFAOYSA-N -2 0 395.506 3.468 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)ccc1C(=O)[O-] ZINC000832904289 601503807 /nfs/dbraw/zinc/50/38/07/601503807.db2.gz FAAQNARZVSHTCH-UHFFFAOYSA-N -2 0 381.479 3.393 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000832868021 601503889 /nfs/dbraw/zinc/50/38/89/601503889.db2.gz IRINFVNVVAIJEJ-UHFFFAOYSA-N -2 0 395.506 3.468 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)cc1C(=O)[O-] ZINC000832956487 601503893 /nfs/dbraw/zinc/50/38/93/601503893.db2.gz GTMKYMCJYZHMPZ-UHFFFAOYSA-N -2 0 381.479 3.393 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)s2)c1 ZINC000833344450 601504340 /nfs/dbraw/zinc/50/43/40/601504340.db2.gz SOBKCDAXHBFGAN-UHFFFAOYSA-N -2 0 387.508 3.221 20 0 GGADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3cc4ccccc4o3)nc2n1 ZINC000832868145 601558045 /nfs/dbraw/zinc/55/80/45/601558045.db2.gz XXYZWCMMFAFJOD-UHFFFAOYSA-N -2 0 389.414 3.245 20 0 GGADRL O=C([O-])c1ccccc1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000833335288 601575401 /nfs/dbraw/zinc/57/54/01/601575401.db2.gz NBACWDNZQQRDRK-UHFFFAOYSA-N -2 0 390.200 3.191 20 0 GGADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000833346439 601603233 /nfs/dbraw/zinc/60/32/33/601603233.db2.gz KBMCXLJOODFTFV-UHFFFAOYSA-N -2 0 386.760 3.314 20 0 GGADRL Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)[nH]n2)cc1C ZINC000832872794 601604676 /nfs/dbraw/zinc/60/46/76/601604676.db2.gz ANZOZSCZDSIZGS-UHFFFAOYSA-N -2 0 375.406 3.094 20 0 GGADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000832973565 601604838 /nfs/dbraw/zinc/60/48/38/601604838.db2.gz GTZHNENIDUVDRP-FLIBITNWSA-N -2 0 383.429 3.284 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)c1C(=O)[O-] ZINC000832975115 601604882 /nfs/dbraw/zinc/60/48/82/601604882.db2.gz ZELZPSGGRPJVMF-UHFFFAOYSA-N -2 0 375.406 3.094 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)n[nH]2)s1 ZINC000754838336 601604976 /nfs/dbraw/zinc/60/49/76/601604976.db2.gz FZHVDVMOGPZSOX-UHFFFAOYSA-N -2 0 381.410 3.085 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3F)n[nH]2)s1 ZINC000832906316 601605447 /nfs/dbraw/zinc/60/54/47/601605447.db2.gz YFBHAILUCXSPMY-UHFFFAOYSA-N -2 0 399.400 3.224 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C=CC(=O)[O-])cc3)n[nH]2)s1 ZINC000832906101 601605519 /nfs/dbraw/zinc/60/55/19/601605519.db2.gz PXEKGCPLPPTUSN-UITAMQMPSA-N -2 0 389.458 3.345 20 0 GGADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000833348476 601605750 /nfs/dbraw/zinc/60/57/50/601605750.db2.gz VZHUHKGPWHAATP-UHFFFAOYSA-N -2 0 383.838 3.291 20 0 GGADRL Cc1c2nc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)sc2ccc1F ZINC000832854405 601627847 /nfs/dbraw/zinc/62/78/47/601627847.db2.gz HNYNYPRSSMZJHO-UHFFFAOYSA-N -2 0 380.422 3.172 20 0 GGADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)n1 ZINC000830270731 601755890 /nfs/dbraw/zinc/75/58/90/601755890.db2.gz ZIWBNXJZDRLISG-ZDUSSCGKSA-N -2 0 385.445 3.148 20 0 GGADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](CC(=O)[O-])c2cccs2)n1 ZINC000830270728 601755911 /nfs/dbraw/zinc/75/59/11/601755911.db2.gz ZIWBNXJZDRLISG-CYBMUJFWSA-N -2 0 385.445 3.148 20 0 GGADRL CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccc(CNC(=O)[O-])cc2)n1 ZINC000830270706 601757261 /nfs/dbraw/zinc/75/72/61/601757261.db2.gz YTENWBQBHFVIDY-UHFFFAOYSA-N -2 0 380.404 3.160 20 0 GGADRL O=C([O-])CC1CCN(C(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC000833213081 601757413 /nfs/dbraw/zinc/75/74/13/601757413.db2.gz KOJCLACEMDHKDH-UHFFFAOYSA-N -2 0 376.634 3.135 20 0 GGADRL CN(Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1)C(=O)[O-] ZINC000830836336 601757606 /nfs/dbraw/zinc/75/76/06/601757606.db2.gz USMLBGNZGKMZMP-UHFFFAOYSA-N -2 0 384.367 3.079 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccccc1N1CCCCCC1 ZINC000833346505 601769489 /nfs/dbraw/zinc/76/94/89/601769489.db2.gz QMJZKVVXTMYZRG-UHFFFAOYSA-N -2 0 381.479 3.023 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cnc1Cl ZINC000759679220 601770226 /nfs/dbraw/zinc/77/02/26/601770226.db2.gz DEYFTRCSSYXEQW-UHFFFAOYSA-N -2 0 379.196 3.335 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2c(-c3ccco3)nc3ccccn32)c1C(=O)[O-] ZINC000832973120 601770253 /nfs/dbraw/zinc/77/02/53/601770253.db2.gz WEOWLWQTXUWHPT-UHFFFAOYSA-N -2 0 397.412 3.402 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(-c3cccs3)nc3ccccn32)o1 ZINC000833323653 601770462 /nfs/dbraw/zinc/77/04/62/601770462.db2.gz XBZCXRUUQPUYGR-UHFFFAOYSA-N -2 0 389.414 3.155 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1Cl ZINC000391708013 601770763 /nfs/dbraw/zinc/77/07/63/601770763.db2.gz GKDJTODHUNHVCM-UHFFFAOYSA-N -2 0 390.870 3.013 20 0 GGADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000321168914 601771122 /nfs/dbraw/zinc/77/11/22/601771122.db2.gz OQRBYQJWLDYNOG-UHFFFAOYSA-N -2 0 378.834 3.144 20 0 GGADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)c1 ZINC000832363216 601771370 /nfs/dbraw/zinc/77/13/70/601771370.db2.gz YBJBMSPBCWLKIX-UHFFFAOYSA-N -2 0 390.870 3.013 20 0 GGADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000327190721 601772113 /nfs/dbraw/zinc/77/21/13/601772113.db2.gz YTKFAJOWRPKBJG-UHFFFAOYSA-N -2 0 394.396 3.370 20 0 GGADRL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)c2)c1Cl ZINC000832885856 601783805 /nfs/dbraw/zinc/78/38/05/601783805.db2.gz MUWLUGNEJAYEQU-UHFFFAOYSA-N -2 0 377.249 3.448 20 0 GGADRL Cn1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1C(=O)[O-] ZINC000833053641 601785373 /nfs/dbraw/zinc/78/53/73/601785373.db2.gz ZDEFCUPSSONHNP-UHFFFAOYSA-N -2 0 382.747 3.196 20 0 GGADRL CC(C)n1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000827201410 601794787 /nfs/dbraw/zinc/79/47/87/601794787.db2.gz RRZPRAPKBVTGKN-UHFFFAOYSA-N -2 0 392.462 3.087 20 0 GGADRL CC(C)n1cnnc1-c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000827192877 601794811 /nfs/dbraw/zinc/79/48/11/601794811.db2.gz NJQKKFNAIAZPHX-UHFFFAOYSA-N -2 0 392.462 3.087 20 0 GGADRL O=C([O-])CCCc1csc(NC(=O)c2ccc(Br)cc2[O-])n1 ZINC000316164661 601801471 /nfs/dbraw/zinc/80/14/71/601801471.db2.gz HQYJNDWIHYWGJO-UHFFFAOYSA-N -2 0 385.239 3.271 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)ccc1Cl ZINC000833306327 601827724 /nfs/dbraw/zinc/82/77/24/601827724.db2.gz QKADOKZMHXKTET-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3csnc3C(=O)[O-])c2)cs1 ZINC000832991686 601832593 /nfs/dbraw/zinc/83/25/93/601832593.db2.gz PSFRIZOCTGSTSU-UHFFFAOYSA-N -2 0 381.460 3.074 20 0 GGADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc2c3c(cccc31)CC2 ZINC000833344578 601832918 /nfs/dbraw/zinc/83/29/18/601832918.db2.gz DELZOUMZKGPOSG-UHFFFAOYSA-N -2 0 388.832 3.486 20 0 GGADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1 ZINC000833344913 601834965 /nfs/dbraw/zinc/83/49/65/601834965.db2.gz LNVFILISWIBEOW-UHFFFAOYSA-N -2 0 393.808 3.253 20 0 GGADRL CCCCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000829421542 601837761 /nfs/dbraw/zinc/83/77/61/601837761.db2.gz GXSGBOSHMNNBSB-UHFFFAOYSA-N -2 0 384.841 3.413 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)cc(F)c1F ZINC000751142167 601839574 /nfs/dbraw/zinc/83/95/74/601839574.db2.gz HYXBZCSLCMMZAF-UHFFFAOYSA-N -2 0 398.387 3.180 20 0 GGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cc(F)c(F)c(C(=O)[O-])c3)c2n1 ZINC000751142156 601839592 /nfs/dbraw/zinc/83/95/92/601839592.db2.gz HNXXQLADUXIBJT-UHFFFAOYSA-N -2 0 378.356 3.320 20 0 GGADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000832972753 601839892 /nfs/dbraw/zinc/83/98/92/601839892.db2.gz HXZLYDWNNUNBEQ-UHFFFAOYSA-N -2 0 393.314 3.374 20 0 GGADRL Cc1cc(CCCC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c(C)s1 ZINC000832881355 601843372 /nfs/dbraw/zinc/84/33/72/601843372.db2.gz ASKSEWHERWTIIJ-UHFFFAOYSA-N -2 0 395.502 3.032 20 0 GGADRL Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000833060475 601844014 /nfs/dbraw/zinc/84/40/14/601844014.db2.gz MFTGWYOOJKRJDC-UHFFFAOYSA-N -2 0 385.873 3.161 20 0 GGADRL CCOc1ccc2nc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])sc2c1 ZINC000830094666 601847456 /nfs/dbraw/zinc/84/74/56/601847456.db2.gz VWEVSXQNYMBPJB-UHFFFAOYSA-N -2 0 396.421 3.333 20 0 GGADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ncc(-c2ccccc2)s1 ZINC000833294446 601847619 /nfs/dbraw/zinc/84/76/19/601847619.db2.gz QSADHQUWIAGQER-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL Cc1nc(C)c(S(=O)(=O)[N-]c2nc(C(C)(C)C)c(C(=O)[O-])s2)s1 ZINC000832996162 601847977 /nfs/dbraw/zinc/84/79/77/601847977.db2.gz RVGDTBPXWUQMCJ-UHFFFAOYSA-N -2 0 375.497 3.013 20 0 GGADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000833293994 601848017 /nfs/dbraw/zinc/84/80/17/601848017.db2.gz KJTDLOXMOWVTDP-UHFFFAOYSA-N -2 0 399.469 3.299 20 0 GGADRL Cc1c2nc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])sc2ccc1F ZINC000832854601 601848367 /nfs/dbraw/zinc/84/83/67/601848367.db2.gz MPQVKSHTUAZDOR-UHFFFAOYSA-N -2 0 384.385 3.382 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2O[C@@H]2CCOC2)ccc1Cl ZINC000759681096 601853688 /nfs/dbraw/zinc/85/36/88/601853688.db2.gz UBQUPZQDCOPVJQ-LLVKDONJSA-N -2 0 397.836 3.007 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccn([C@H](C)c3ccccc3)n2)cc1C(=O)[O-] ZINC000675284417 601854911 /nfs/dbraw/zinc/85/49/11/601854911.db2.gz BAEKRFBPNKVZTK-CQSZACIVSA-N -2 0 385.445 3.300 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccn([C@H](C)c3ccccc3)n2)ccc1C(=O)[O-] ZINC000671660607 601854952 /nfs/dbraw/zinc/85/49/52/601854952.db2.gz TUHICEOXNGDTFH-CQSZACIVSA-N -2 0 385.445 3.300 20 0 GGADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000759690477 601855574 /nfs/dbraw/zinc/85/55/74/601855574.db2.gz SPYGEKACMJWAMK-UHFFFAOYSA-N -2 0 389.351 3.392 20 0 GGADRL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000827949373 601855584 /nfs/dbraw/zinc/85/55/84/601855584.db2.gz LFAFVFMGIIFTBA-NSHDSACASA-N -2 0 377.447 3.053 20 0 GGADRL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000827951206 601855650 /nfs/dbraw/zinc/85/56/50/601855650.db2.gz WESKMLPYJPEMJU-SAAWKEMMSA-N -2 0 397.456 3.391 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)ccc1F ZINC000759679906 601855727 /nfs/dbraw/zinc/85/57/27/601855727.db2.gz VZOSIQZTEJRHNM-UHFFFAOYSA-N -2 0 379.287 3.065 20 0 GGADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000833318281 601856185 /nfs/dbraw/zinc/85/61/85/601856185.db2.gz LXDSZMLWYLXAHQ-UHFFFAOYSA-N -2 0 379.287 3.065 20 0 GGADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833011081 601856572 /nfs/dbraw/zinc/85/65/72/601856572.db2.gz FRDMTCSASMLCKE-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000833293718 601856825 /nfs/dbraw/zinc/85/68/25/601856825.db2.gz GKIRUVWCPNEVAD-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(OC2CCCC2)nc1 ZINC000833295255 601862163 /nfs/dbraw/zinc/86/21/63/601862163.db2.gz TWODFMZVHCVQGM-UHFFFAOYSA-N -2 0 380.397 3.041 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])n[nH]2)s1 ZINC000832905998 601862946 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383.351 3.072 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2cc(F)cc(F)c2)[nH]n1 ZINC000832919705 601929576 /nfs/dbraw/zinc/92/95/76/601929576.db2.gz UIFUAJHJEHCIJP-UHFFFAOYSA-N -2 0 393.371 3.162 20 0 GGADRL CCCCn1ccnc1-c1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000829446959 601962332 /nfs/dbraw/zinc/96/23/32/601962332.db2.gz ISCJGMTXGHXNIK-UHFFFAOYSA-N -2 0 388.449 3.177 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)nn1C ZINC000832868048 601964434 /nfs/dbraw/zinc/96/44/34/601964434.db2.gz JEIDNCMMBBDRKG-UHFFFAOYSA-N -2 0 377.466 3.275 20 0 GGADRL Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000833060001 601964855 /nfs/dbraw/zinc/96/48/55/601964855.db2.gz KGUFWPSTMVXTNG-UHFFFAOYSA-N -2 0 381.429 3.106 20 0 GGADRL Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000833059915 601965182 /nfs/dbraw/zinc/96/51/82/601965182.db2.gz FHHPVWPHAIMDPH-UHFFFAOYSA-N -2 0 381.429 3.106 20 0 GGADRL O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000484498173 601986761 /nfs/dbraw/zinc/98/67/61/601986761.db2.gz DJYRIXBYRNLMRM-UHFFFAOYSA-N -2 0 389.351 3.056 20 0 GGADRL O=C([O-])Nc1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)cc(C(F)(F)F)c1 ZINC000833283822 601986828 /nfs/dbraw/zinc/98/68/28/601986828.db2.gz MROKQURSWZLTQX-UHFFFAOYSA-N -2 0 383.208 3.185 20 0 GGADRL CC(C)OCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OCc1ccccc1 ZINC000827033327 601987375 /nfs/dbraw/zinc/98/73/75/601987375.db2.gz HEADEMKDMKPYCH-UHFFFAOYSA-N -2 0 393.461 3.131 20 0 GGADRL Cc1coc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)ccc2C)n1 ZINC000832987446 601989837 /nfs/dbraw/zinc/98/98/37/601989837.db2.gz GNNFIRGSPCVTPW-UHFFFAOYSA-N -2 0 376.390 3.359 20 0 GGADRL CC[C@H](c1nnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)s1)c1ccccc1 ZINC000829033306 602102171 /nfs/dbraw/zinc/10/21/71/602102171.db2.gz KFSPZDUPXCPNRH-NSHDSACASA-N -2 0 393.446 3.172 20 0 GGADRL CCCCc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n[nH]1 ZINC000829430618 602102782 /nfs/dbraw/zinc/10/27/82/602102782.db2.gz 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Cc1sc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(C(=O)[O-])c1C ZINC000833757926 605303054 /nfs/dbraw/zinc/30/30/54/605303054.db2.gz DAYMGWXJOMPNGJ-UHFFFAOYSA-N -2 0 394.474 3.139 20 0 GGADRL CC(C)(C)[C@@H]1CCc2nc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)sc2C1 ZINC000833427196 605304628 /nfs/dbraw/zinc/30/46/28/605304628.db2.gz YPGPQWGDQOSDNV-SECBINFHSA-N -2 0 383.495 3.121 20 0 GGADRL CC(C)(C)[C@H]1CCc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)sc2C1 ZINC000833424151 605304649 /nfs/dbraw/zinc/30/46/49/605304649.db2.gz HZYRDJGVQDOKNW-JTQLQIEISA-N -2 0 384.479 3.386 20 0 GGADRL CC(C)(CC(=O)[O-])CC(=O)Nc1cc(F)c(Br)cc1C(=O)[O-] ZINC000833455450 605321542 /nfs/dbraw/zinc/32/15/42/605321542.db2.gz FBYKEZLGOANMMQ-UHFFFAOYSA-N -2 0 376.178 3.116 20 0 GGADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000833741314 605330947 /nfs/dbraw/zinc/33/09/47/605330947.db2.gz HEUWJFSTSULIHX-UHFFFAOYSA-N -2 0 396.421 3.491 20 0 GGADRL CC(C)CCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2C1 ZINC000833483890 605343053 /nfs/dbraw/zinc/34/30/53/605343053.db2.gz SLEOJMJMATUKCV-UHFFFAOYSA-N -2 0 378.450 3.140 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc(OC)c1C(C)C ZINC000833728876 605421047 /nfs/dbraw/zinc/42/10/47/605421047.db2.gz BNKIQNSQTOGHOW-UHFFFAOYSA-N -2 0 385.463 3.388 20 0 GGADRL Cc1ccc(C[C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000833748084 605500373 /nfs/dbraw/zinc/50/03/73/605500373.db2.gz CPWCZDCSLGTNDY-LBPRGKRZSA-N -2 0 395.864 3.030 20 0 GGADRL Cc1cc([C@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])ccc1Cl ZINC000833577946 605599393 /nfs/dbraw/zinc/59/93/93/605599393.db2.gz SHVBOBACNXNETP-MRXNPFEDSA-N -2 0 380.828 3.328 20 0 GGADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C(=O)[O-])[nH]2)s1 ZINC000833449412 605783236 /nfs/dbraw/zinc/78/32/36/605783236.db2.gz MKYNEEHWXWRZPZ-UHFFFAOYSA-N -2 0 379.463 3.421 20 0 GGADRL CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000013299981 1399078671 /nfs/dbraw/zinc/07/86/71/1399078671.db2.gz SMQFWBBTOPUZOT-UHFFFAOYSA-N -2 0 383.447 3.204 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1 ZINC000013341761 1399078858 /nfs/dbraw/zinc/07/88/58/1399078858.db2.gz RDJBEJWTOHAAAW-UHFFFAOYSA-N -2 0 377.752 3.440 20 0 GGADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000055581660 1407011869 /nfs/dbraw/zinc/01/18/69/1407011869.db2.gz SPRMKLRFAGZFKH-UHFFFAOYSA-N -2 0 381.381 3.146 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)sc1C(=O)[O-] ZINC000055586596 1407013925 /nfs/dbraw/zinc/01/39/25/1407013925.db2.gz PWYYNUNQSACVGH-UHFFFAOYSA-N -2 0 394.474 3.072 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1nnc(C)o1 ZINC000042792095 1400416493 /nfs/dbraw/zinc/41/64/93/1400416493.db2.gz GDCFWRZOVBPEKV-UHFFFAOYSA-N -2 0 387.417 3.106 20 0 GGADRL COCCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000048382599 1405171741 /nfs/dbraw/zinc/17/17/41/1405171741.db2.gz IZQMQYMCWYUVNO-UHFFFAOYSA-N -2 0 399.852 3.002 20 0 GGADRL CN(c1cccc2ccccc21)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000057008099 1407498723 /nfs/dbraw/zinc/49/87/23/1407498723.db2.gz HFABBLGARFDEBL-UHFFFAOYSA-N -2 0 385.397 3.061 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCC(C)C ZINC000057119395 1407523015 /nfs/dbraw/zinc/52/30/15/1407523015.db2.gz CTXDSGUGFWJLCI-UHFFFAOYSA-N -2 0 393.461 3.158 20 0 GGADRL CCCCOc1ccccc1[N-]S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000057120189 1407523847 /nfs/dbraw/zinc/52/38/47/1407523847.db2.gz OWHBMFFOFGMJAY-UHFFFAOYSA-N -2 0 393.461 3.302 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1C ZINC000057119405 1407524011 /nfs/dbraw/zinc/52/40/11/1407524011.db2.gz WWJFFWCSFLQITH-UHFFFAOYSA-N -2 0 393.461 3.219 20 0 GGADRL CC[C@@H](C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC000057123685 1407527049 /nfs/dbraw/zinc/52/70/49/1407527049.db2.gz WCPDFLJOGNUPFJ-LLVKDONJSA-N -2 0 393.417 3.061 20 0 GGADRL CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c1 ZINC000057126178 1407529526 /nfs/dbraw/zinc/52/95/26/1407529526.db2.gz WHMGFNHWMDICAK-CYBMUJFWSA-N -2 0 393.461 3.300 20 0 GGADRL CC[C@H](C)Oc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC000057126239 1407529617 /nfs/dbraw/zinc/52/96/17/1407529617.db2.gz HPHYISCQXLENIV-NSHDSACASA-N -2 0 393.417 3.061 20 0 GGADRL COCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000057126143 1407529645 /nfs/dbraw/zinc/52/96/45/1407529645.db2.gz KCDFEKKVCUMIMJ-UHFFFAOYSA-N -2 0 393.461 3.334 20 0 GGADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000058495215 1407836811 /nfs/dbraw/zinc/83/68/11/1407836811.db2.gz KARNGTYRNWUTNT-UHFFFAOYSA-N -2 0 396.852 3.116 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c(C(=O)OC)c1 ZINC000060839496 1408040243 /nfs/dbraw/zinc/04/02/43/1408040243.db2.gz AEYPEBSDXYCEPP-UHFFFAOYSA-N -2 0 391.445 3.151 20 0 GGADRL Cc1ccc(CCCCC(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000063809379 1408418372 /nfs/dbraw/zinc/41/83/72/1408418372.db2.gz KEZZEIPXEYHKBK-UHFFFAOYSA-N -2 0 392.459 3.060 20 0 GGADRL CCN1C/C(=C\c2cccc(C(=O)[O-])c2)C(=O)/C(=C\c2cccc(C(=O)[O-])c2)C1 ZINC000095943454 1410315962 /nfs/dbraw/zinc/31/59/62/1410315962.db2.gz RYFGRIJKUSQFDN-UHWBUFEVSA-N -2 0 391.423 3.455 20 0 GGADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000116679273 1412895775 /nfs/dbraw/zinc/89/57/75/1412895775.db2.gz PDCYIUYDASLGAQ-UHFFFAOYSA-N -2 0 397.277 3.362 20 0 GGADRL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccc(-c2ccccc2)cc1 ZINC000823583352 1428744222 /nfs/dbraw/zinc/74/42/22/1428744222.db2.gz OOLNSXDPOIHDCR-UHFFFAOYSA-N -2 0 393.428 3.040 20 0 GGADRL CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3F)cc21 ZINC000177542838 1428787110 /nfs/dbraw/zinc/78/71/10/1428787110.db2.gz ARIAMGBIOQPFKW-UHFFFAOYSA-N -2 0 377.397 3.003 20 0 GGADRL O=C(NC[C@@H]1CC=CCC1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC000123516733 1414759954 /nfs/dbraw/zinc/75/99/54/1414759954.db2.gz OUGZNSFPOSBGOS-CYBMUJFWSA-N -2 0 392.502 3.341 20 0 GGADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(=O)[O-])n2)c1 ZINC000124610222 1415005153 /nfs/dbraw/zinc/00/51/53/1415005153.db2.gz PGMMYYLQWKUURM-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000126459013 1415458497 /nfs/dbraw/zinc/45/84/97/1415458497.db2.gz VGPZWMLMOMZTCT-UHFFFAOYSA-N -2 0 394.355 3.427 20 0 GGADRL CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735904052 1429073126 /nfs/dbraw/zinc/07/31/26/1429073126.db2.gz KNWKFCBCCOQINY-UHFFFAOYSA-N -2 0 393.856 3.108 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)cc(Cl)c1F ZINC000130259551 1416347987 /nfs/dbraw/zinc/34/79/87/1416347987.db2.gz OZFFDCNAFHMDOA-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL Cc1nc(-c2ccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)cc2)cs1 ZINC000151571971 1418028755 /nfs/dbraw/zinc/02/87/55/1418028755.db2.gz VPXZPDDUSFAJQJ-UHFFFAOYSA-N -2 0 393.428 3.016 20 0 GGADRL CC(C)n1ncc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)cc21 ZINC000179243672 1429304038 /nfs/dbraw/zinc/30/40/38/1429304038.db2.gz VXVOMDGNQAUCKL-UHFFFAOYSA-N -2 0 395.387 3.394 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1C(=O)[O-] ZINC000179319874 1429328036 /nfs/dbraw/zinc/32/80/36/1429328036.db2.gz OVRAKYYSJRXCQM-UHFFFAOYSA-N -2 0 391.474 3.494 20 0 GGADRL Cc1cccc(NS(=O)(=O)C=Cc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826299492 1429447714 /nfs/dbraw/zinc/44/77/14/1429447714.db2.gz HHVFICYFKZSHHX-MDZDMXLPSA-N -2 0 375.841 3.241 20 0 GGADRL Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000152689855 1422211010 /nfs/dbraw/zinc/21/10/10/1422211010.db2.gz MDEKRGIZURTLGX-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL CCCCCc1nnc([N-]C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821062571 1429539818 /nfs/dbraw/zinc/53/98/18/1429539818.db2.gz YHUDDGKSCZFCPE-LLVKDONJSA-N -2 0 386.485 3.334 20 0 GGADRL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000179766445 1429548678 /nfs/dbraw/zinc/54/86/78/1429548678.db2.gz YIHYDDLULSLFGH-UHFFFAOYSA-N -2 0 394.449 3.151 20 0 GGADRL O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1ccc(-c2nn[n-]n2)nc1 ZINC000826450187 1429614218 /nfs/dbraw/zinc/61/42/18/1429614218.db2.gz AHFJFDKSOXLQLB-UHFFFAOYSA-N -2 0 385.598 3.180 20 0 GGADRL O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492688 1423335642 /nfs/dbraw/zinc/33/56/42/1423335642.db2.gz XWIOHUOSJMZCBF-UHFFFAOYSA-N -2 0 375.841 3.198 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)c(C)c1C(=O)[O-] ZINC000156299738 1423765074 /nfs/dbraw/zinc/76/50/74/1423765074.db2.gz ZTSFEMDCXJECPV-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cnn1CCC(C)C ZINC000156375278 1423801479 /nfs/dbraw/zinc/80/14/79/1423801479.db2.gz QNUGJXMXGSYVCW-UHFFFAOYSA-N -2 0 379.482 3.353 20 0 GGADRL Cc1ccsc1-c1nnc([N-]C(=O)CSc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737441842 1423923775 /nfs/dbraw/zinc/92/37/75/1423923775.db2.gz LQUCOSSAPCZNLJ-UHFFFAOYSA-N -2 0 399.461 3.017 20 0 GGADRL Cc1ccc(-c2nnn[n-]2)cc1NS(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000822221202 1424268930 /nfs/dbraw/zinc/26/89/30/1424268930.db2.gz FDJTXCNRDLEXCI-UHFFFAOYSA-N -2 0 399.476 3.205 20 0 GGADRL O=C(Cn1c(=O)c2ccccc2[n-]c1=S)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000159323635 1424484805 /nfs/dbraw/zinc/48/48/05/1424484805.db2.gz RSYMPTURUTZCEM-UHFFFAOYSA-N -2 0 396.255 3.336 20 0 GGADRL Cc1ccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)c2n1 ZINC000160101633 1424574139 /nfs/dbraw/zinc/57/41/39/1424574139.db2.gz LPOOYKXREOAZIA-UHFFFAOYSA-N -2 0 378.356 3.320 20 0 GGADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1 ZINC000160324347 1424595311 /nfs/dbraw/zinc/59/53/11/1424595311.db2.gz ISCCBBGAYHWFAU-UHFFFAOYSA-N -2 0 380.328 3.119 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)ccc1C(=O)[O-] ZINC000161476471 1424692975 /nfs/dbraw/zinc/69/29/75/1424692975.db2.gz CGGJURJLCHYIIH-UHFFFAOYSA-N -2 0 381.278 3.190 20 0 GGADRL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cc(Cl)sc1Cl ZINC000738343473 1424836028 /nfs/dbraw/zinc/83/60/28/1424836028.db2.gz ZUUBWAJZZHDWPP-UHFFFAOYSA-N -2 0 394.240 3.175 20 0 GGADRL O=C(COC1CCCCC1)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826416915 1424959296 /nfs/dbraw/zinc/95/92/96/1424959296.db2.gz WMVYFWFYMZTIIY-UHFFFAOYSA-N -2 0 384.465 3.278 20 0 GGADRL CCC(CC)c1nnc([N-]C(=O)CSc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736350338 1424980499 /nfs/dbraw/zinc/98/04/99/1424980499.db2.gz LYTAQIAFZRELMO-UHFFFAOYSA-N -2 0 389.510 3.353 20 0 GGADRL O=S(=O)(Nc1ccc(CCC(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823589093 1425031356 /nfs/dbraw/zinc/03/13/56/1425031356.db2.gz MVGRIWQAFIGTCJ-UHFFFAOYSA-N -2 0 397.382 3.162 20 0 GGADRL O=C([O-])c1ccoc1COc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738214335 1425094739 /nfs/dbraw/zinc/09/47/39/1425094739.db2.gz LFZYKKYOGGYVJG-ORCRQEGFSA-N -2 0 389.371 3.302 20 0 GGADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCC)cc1 ZINC000169875187 1425260036 /nfs/dbraw/zinc/26/00/36/1425260036.db2.gz GNKWYAJZMUSDNG-UHFFFAOYSA-N -2 0 379.434 3.373 20 0 GGADRL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nc(CC(C)(C)C)cs1 ZINC000826255801 1426488512 /nfs/dbraw/zinc/48/85/12/1426488512.db2.gz LCHLFVUBZCHGAA-UHFFFAOYSA-N -2 0 392.510 3.021 20 0 GGADRL CC(C)(C)c1csc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000735655998 1427303511 /nfs/dbraw/zinc/30/35/11/1427303511.db2.gz FGPOZWROCZJUGW-UHFFFAOYSA-N -2 0 398.901 3.075 20 0 GGADRL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ncccc1-c1ccccc1 ZINC000826279759 1427978990 /nfs/dbraw/zinc/97/89/90/1427978990.db2.gz AXVMNTWECKSLMJ-UHFFFAOYSA-N -2 0 392.444 3.038 20 0 GGADRL CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820184266 1427988998 /nfs/dbraw/zinc/98/89/98/1427988998.db2.gz YSWLATSDNBFZKZ-UHFFFAOYSA-N -2 0 375.479 3.168 20 0 GGADRL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1ccc(-c2ccccc2)cc1 ZINC000738341631 1428043535 /nfs/dbraw/zinc/04/35/35/1428043535.db2.gz HJOJGOSSPMNVMU-UHFFFAOYSA-N -2 0 377.429 3.335 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cnc(Br)c(C)c2)cc(C(=O)[O-])c1C ZINC000181176535 1430238533 /nfs/dbraw/zinc/23/85/33/1430238533.db2.gz PJGHRBCTVAOLIO-UHFFFAOYSA-N -2 0 399.266 3.268 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000181726865 1430348501 /nfs/dbraw/zinc/34/85/01/1430348501.db2.gz PNYFWNRKYQGHNV-UHFFFAOYSA-N -2 0 395.305 3.444 20 0 GGADRL Cc1nc(-c2ccccc2)sc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000182112049 1430413869 /nfs/dbraw/zinc/41/38/69/1430413869.db2.gz MSJBRSNYAIUING-UHFFFAOYSA-N -2 0 393.428 3.016 20 0 GGADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000184885484 1431012698 /nfs/dbraw/zinc/01/26/98/1431012698.db2.gz FMIJFOKRZOJCMD-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)cc1)C(=O)[O-] ZINC000185293549 1431102173 /nfs/dbraw/zinc/10/21/73/1431102173.db2.gz YBGCJLYQFBYOMS-LLVKDONJSA-N -2 0 376.409 3.371 20 0 GGADRL Cc1cccc(NC(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])c1Cl ZINC000186319925 1431381341 /nfs/dbraw/zinc/38/13/41/1431381341.db2.gz PNGSKXKQGQDQGE-UHFFFAOYSA-N -2 0 385.811 3.006 20 0 GGADRL Cc1ccc(Cl)c(NC(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000186675234 1431488978 /nfs/dbraw/zinc/48/89/78/1431488978.db2.gz NTAXGAGKXWATCM-UHFFFAOYSA-N -2 0 385.811 3.006 20 0 GGADRL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cn1 ZINC000187716201 1431803149 /nfs/dbraw/zinc/80/31/49/1431803149.db2.gz YTSRUQWOUSFUIO-QMMMGPOBSA-N -2 0 387.820 3.146 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cnn1-c1ccccc1C ZINC000189457591 1432117724 /nfs/dbraw/zinc/11/77/24/1432117724.db2.gz VMFQOMSLFFJARY-UHFFFAOYSA-N -2 0 389.433 3.144 20 0 GGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C)c1 ZINC000190376001 1432369575 /nfs/dbraw/zinc/36/95/75/1432369575.db2.gz YYAXSLCDRJXDNP-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL O=S(=O)([N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1)c1ccccc1 ZINC000193338315 1432981896 /nfs/dbraw/zinc/98/18/96/1432981896.db2.gz ZWEUBBGFMCNZHE-UHFFFAOYSA-N -2 0 388.470 3.288 20 0 GGADRL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C)nc2Cl)cc1)C(=O)[O-] ZINC000193342708 1432982957 /nfs/dbraw/zinc/98/29/57/1432982957.db2.gz RSQUHMCAULDZKC-CYBMUJFWSA-N -2 0 382.869 3.498 20 0 GGADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2C)cc1C(=O)[O-] ZINC000194223164 1433142352 /nfs/dbraw/zinc/14/23/52/1433142352.db2.gz NCXCGPWOJKMAOO-UHFFFAOYSA-N -2 0 377.466 3.368 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C2CCCC2)c1C ZINC000194224809 1433142676 /nfs/dbraw/zinc/14/26/76/1433142676.db2.gz SEBHFGHEORRBDZ-UHFFFAOYSA-N -2 0 377.466 3.368 20 0 GGADRL N#C/C(=C/c1ccc([O-])c(Br)c1)C(=O)Nc1ccccc1C(=O)[O-] ZINC000207918410 1433355228 /nfs/dbraw/zinc/35/52/28/1433355228.db2.gz RMHNKKCJKDDPDR-XFFZJAGNSA-N -2 0 387.189 3.399 20 0 GGADRL O=C([O-])C1(CC(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)CCC1 ZINC000262436355 1433938807 /nfs/dbraw/zinc/93/88/07/1433938807.db2.gz CGNNRBUFRQASRN-UHFFFAOYSA-N -2 0 388.445 3.071 20 0 GGADRL Cc1cc(C(=O)Nc2ccccc2OC2CCCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000265814724 1434267494 /nfs/dbraw/zinc/26/74/94/1434267494.db2.gz NEIMGWPZINLKCK-UHFFFAOYSA-N -2 0 380.404 3.318 20 0 GGADRL CC(C)(C)OC(=O)Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000266777947 1434374248 /nfs/dbraw/zinc/37/42/48/1434374248.db2.gz ZTFULYIQULHBRL-UHFFFAOYSA-N -2 0 397.474 3.131 20 0 GGADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(CC(=O)[O-])ccc1OC ZINC000268306895 1434510857 /nfs/dbraw/zinc/51/08/57/1434510857.db2.gz IRYNXKWQVVWOQE-UHFFFAOYSA-N -2 0 397.424 3.051 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(C)C ZINC000272232701 1434880153 /nfs/dbraw/zinc/88/01/53/1434880153.db2.gz JYKIEBVLAFQOFV-UHFFFAOYSA-N -2 0 397.424 3.049 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NC(C)(C)C ZINC000276644034 1435222451 /nfs/dbraw/zinc/22/24/51/1435222451.db2.gz YANDCFUDFZHZJY-UHFFFAOYSA-N -2 0 392.477 3.334 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1C1CCCC1 ZINC000277625905 1435317490 /nfs/dbraw/zinc/31/74/90/1435317490.db2.gz OQEHWGHNDXOWNV-UHFFFAOYSA-N -2 0 377.466 3.125 20 0 GGADRL CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1C ZINC000278823982 1435427306 /nfs/dbraw/zinc/42/73/06/1435427306.db2.gz YDGYTNRZEUVJOK-UHFFFAOYSA-N -2 0 397.478 3.005 20 0 GGADRL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000823060505 1441540533 /nfs/dbraw/zinc/54/05/33/1441540533.db2.gz FFTYRPYRMBIWAN-UHFFFAOYSA-N -2 0 398.473 3.169 20 0 GGADRL O=S(=O)(Nc1cc(-c2nnn[n-]2)ccc1Cl)c1ccc(Cl)cc1F ZINC000823583633 1441799850 /nfs/dbraw/zinc/79/98/50/1441799850.db2.gz WJAZMOGHOBEYCM-UHFFFAOYSA-N -2 0 388.211 3.113 20 0 GGADRL Cc1nc(CC(C)C)c(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822437294 1441999961 /nfs/dbraw/zinc/99/99/61/1441999961.db2.gz YGCXJDGOFHDYGY-UHFFFAOYSA-N -2 0 385.497 3.494 20 0 GGADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737190036 1442068599 /nfs/dbraw/zinc/06/85/99/1442068599.db2.gz JPQYZLRCRBKLAO-UHFFFAOYSA-N -2 0 395.897 3.351 20 0 GGADRL Cc1cccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1-c1nn[n-]n1 ZINC000826299409 1442073714 /nfs/dbraw/zinc/07/37/14/1442073714.db2.gz CZQDCXZPTRTANF-UHFFFAOYSA-N -2 0 390.277 3.344 20 0 GGADRL O=C(Nc1ccc(Br)cc1-c1nn[n-]n1)c1cccc(Cl)c1[O-] ZINC001150207859 1442174403 /nfs/dbraw/zinc/17/44/03/1442174403.db2.gz USXYURQHJCDELW-UHFFFAOYSA-N -2 0 394.616 3.241 20 0 GGADRL O=C(c1ccc2[n-]c(=S)oc2c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823488840 1442465706 /nfs/dbraw/zinc/46/57/06/1442465706.db2.gz UZZXXLJCAQNYNO-UHFFFAOYSA-N -2 0 392.444 3.101 20 0 GGADRL O=C(c1cc(Cl)ccc1O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826470183 1443099108 /nfs/dbraw/zinc/09/91/08/1443099108.db2.gz GSNJMBDLWQTZIE-UHFFFAOYSA-N -2 0 381.823 3.155 20 0 GGADRL O=C([O-])CC1(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CCCC1 ZINC000738211863 1443114193 /nfs/dbraw/zinc/11/41/93/1443114193.db2.gz UKCVOPJMLKQMQE-UHFFFAOYSA-N -2 0 389.481 3.171 20 0 GGADRL CCCc1nnc([N-]C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)s1 ZINC000736494483 1443196532 /nfs/dbraw/zinc/19/65/32/1443196532.db2.gz DBMOYADLKZDGGF-UHFFFAOYSA-N -2 0 386.485 3.113 20 0 GGADRL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000821128439 1443399528 /nfs/dbraw/zinc/39/95/28/1443399528.db2.gz UECJMNASMHZYNW-UHFFFAOYSA-N -2 0 392.510 3.168 20 0 GGADRL CCCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821051177 1443500049 /nfs/dbraw/zinc/50/00/49/1443500049.db2.gz YZOLCADGVRMYPA-GOSISDBHSA-N -2 0 393.513 3.058 20 0 GGADRL O=C(CCC1CC1)[N-]c1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737824936 1443529019 /nfs/dbraw/zinc/52/90/19/1443529019.db2.gz VRVMUMVMLOKFTP-UHFFFAOYSA-N -2 0 387.494 3.139 20 0 GGADRL O=S(=O)([N-]c1ncc(C2CCCCC2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000826493727 1443604329 /nfs/dbraw/zinc/60/43/29/1443604329.db2.gz ZUAIRDSNXZIGCZ-UHFFFAOYSA-N -2 0 390.494 3.172 20 0 GGADRL Cc1cc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)ccc1OC(C)C ZINC000737281646 1443660296 /nfs/dbraw/zinc/66/02/96/1443660296.db2.gz VEPGOCYEKBXJKX-UHFFFAOYSA-N -2 0 387.465 3.072 20 0 GGADRL O=C(CC[C@H]1CCCCO1)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737823725 1444020159 /nfs/dbraw/zinc/02/01/59/1444020159.db2.gz ACUBQDFIUJSINA-CQSZACIVSA-N -2 0 384.465 3.278 20 0 GGADRL CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c([O-])cc(F)cc1F ZINC000735830812 1446166176 /nfs/dbraw/zinc/16/61/76/1446166176.db2.gz JLGVARCMSBSKFG-UHFFFAOYSA-N -2 0 387.390 3.149 20 0 GGADRL Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2O)c1 ZINC000822228861 1446323950 /nfs/dbraw/zinc/32/39/50/1446323950.db2.gz HFSBXVYZJKOHHN-CYBMUJFWSA-N -2 0 381.436 3.410 20 0 GGADRL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000821128577 1446539350 /nfs/dbraw/zinc/53/93/50/1446539350.db2.gz WSDAQWNHMMNJGU-UHFFFAOYSA-N -2 0 398.448 3.236 20 0 GGADRL CCc1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000821492339 1446787449 /nfs/dbraw/zinc/78/74/49/1446787449.db2.gz MHIULYNTWMSSGJ-UHFFFAOYSA-N -2 0 387.465 3.017 20 0 GGADRL CC(C)(CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000735665127 1446818230 /nfs/dbraw/zinc/81/82/30/1446818230.db2.gz SFJHVTWELNSBJC-UHFFFAOYSA-N -2 0 381.392 3.098 20 0 GGADRL CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000735907259 1447215970 /nfs/dbraw/zinc/21/59/70/1447215970.db2.gz ZOGQDIDTPQGLKS-UHFFFAOYSA-N -2 0 396.432 3.336 20 0 GGADRL O=C(Nc1nc2c(s1)CCC2)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738208772 1449282876 /nfs/dbraw/zinc/28/28/76/1449282876.db2.gz HAMMYQFWAQUCBI-UHFFFAOYSA-N -2 0 381.465 3.008 20 0 GGADRL O=S(=O)([N-]c1ccc2c3c(cccc31)CC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000738343269 1449533228 /nfs/dbraw/zinc/53/32/28/1449533228.db2.gz VZGPRTJWRIKSPK-UHFFFAOYSA-N -2 0 395.419 3.058 20 0 GGADRL Cc1ccoc1C(=O)[N-]c1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737443404 1449998326 /nfs/dbraw/zinc/99/83/26/1449998326.db2.gz VFHZEVCHCHFACV-UHFFFAOYSA-N -2 0 399.461 3.164 20 0 GGADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl ZINC000322277323 970867597 /nfs/dbraw/zinc/86/75/97/970867597.db2.gz MPNUEPVOUNMAOB-UHFFFAOYSA-N -2 0 386.760 3.314 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Br)nc2C)c1C ZINC000322583161 970906772 /nfs/dbraw/zinc/90/67/72/970906772.db2.gz DJQLRTGJXVRMAH-UHFFFAOYSA-N -2 0 399.266 3.268 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Br)cc1C#N ZINC000323345675 970993783 /nfs/dbraw/zinc/99/37/83/970993783.db2.gz QVYWBWXIZJMAFA-UHFFFAOYSA-N -2 0 395.234 3.128 20 0 GGADRL COc1ccc(O)c(C(=O)Nc2cc(C(=O)[O-])c(Br)cc2C)c1 ZINC000323514166 971012556 /nfs/dbraw/zinc/01/25/56/971012556.db2.gz ZSTNASUXQFCFOO-UHFFFAOYSA-N -2 0 380.194 3.422 20 0 GGADRL Cc1ccc(C[C@@H](C)NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)s1 ZINC000324651956 971143110 /nfs/dbraw/zinc/14/31/10/971143110.db2.gz GDVBTDOZRNTJNG-MRVPVSSYSA-N -2 0 391.873 3.457 20 0 GGADRL Cc1ccc(C[C@H](C)NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)s1 ZINC000324651957 971143343 /nfs/dbraw/zinc/14/33/43/971143343.db2.gz GDVBTDOZRNTJNG-QMMMGPOBSA-N -2 0 391.873 3.457 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2ccc(SC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000324900577 971168175 /nfs/dbraw/zinc/16/81/75/971168175.db2.gz VJQMPHXLPINTFZ-UHFFFAOYSA-N -2 0 380.369 3.136 20 0 GGADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2cccc3c2N=S=N3)n1 ZINC000325254410 971198579 /nfs/dbraw/zinc/19/85/79/971198579.db2.gz ATMRVZUAXJEFJA-UHFFFAOYSA-N -2 0 384.464 3.078 20 0 GGADRL COc1ccc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)sc2c1 ZINC000326697332 971317977 /nfs/dbraw/zinc/31/79/77/971317977.db2.gz UFLGJRPFAFXJPE-UHFFFAOYSA-N -2 0 398.849 3.457 20 0 GGADRL CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000326812523 971330781 /nfs/dbraw/zinc/33/07/81/971330781.db2.gz HWBDHIZQJQSSLX-UHFFFAOYSA-N -2 0 383.447 3.204 20 0 GGADRL COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000327069823 971363357 /nfs/dbraw/zinc/36/33/57/971363357.db2.gz CQPSFVOCNVVCHL-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1Cl ZINC000327290889 971383798 /nfs/dbraw/zinc/38/37/98/971383798.db2.gz MTVKMNHXSSPLDU-UHFFFAOYSA-N -2 0 389.813 3.066 20 0 GGADRL CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])c1 ZINC000327693534 971419473 /nfs/dbraw/zinc/41/94/73/971419473.db2.gz UGQRHRFRTXPSNS-UHFFFAOYSA-N -2 0 382.463 3.212 20 0 GGADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])c1 ZINC000327724675 971421832 /nfs/dbraw/zinc/42/18/32/971421832.db2.gz BWOOLSMIRUISJQ-UHFFFAOYSA-N -2 0 385.463 3.353 20 0 GGADRL Cc1ccc(-c2cccnc2)cc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000373509276 971558510 /nfs/dbraw/zinc/55/85/10/971558510.db2.gz LUPWAOWEHAUZKK-UHFFFAOYSA-N -2 0 382.441 3.485 20 0 GGADRL O=C([O-])c1ccc(CNC(=O)c2cc(Cl)cc(Br)c2[O-])cc1 ZINC001595227810 949330219 /nfs/dbraw/zinc/33/02/19/949330219.db2.gz CJDPQHMISHXMSU-UHFFFAOYSA-N -2 0 384.613 3.436 20 0 GGADRL O=C([O-])CCCCC(=O)Nc1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1 ZINC001595035160 951400287 /nfs/dbraw/zinc/40/02/87/951400287.db2.gz YKKYKZKEIUKLED-UHFFFAOYSA-N -2 0 394.293 3.039 20 0 GGADRL O=C([O-])C[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)C1 ZINC000578425566 953701673 /nfs/dbraw/zinc/70/16/73/953701673.db2.gz NZJMTIJRFDOXHL-SECBINFHSA-N -2 0 398.847 3.138 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3.197 20 0 GGADRL O=Cc1ccc(-c2ccc(C(=O)N3CCc4ccccc4[C@H]3C(=O)[O-])c([O-])c2)o1 ZINC001606567878 970373021 /nfs/dbraw/zinc/37/30/21/970373021.db2.gz OQIKIWXLEAGEGL-FQEVSTJZSA-N -2 0 391.379 3.289 20 0 GGADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1 ZINC000317991444 970401490 /nfs/dbraw/zinc/40/14/90/970401490.db2.gz FVQARXOITJTACZ-UHFFFAOYSA-N -2 0 385.225 3.017 20 0 GGADRL O=C([O-])CCCc1csc(NC(=O)c2ccc(Br)c([O-])c2)n1 ZINC000318779816 970471788 /nfs/dbraw/zinc/47/17/88/970471788.db2.gz DGTWPXTUYICNBE-UHFFFAOYSA-N -2 0 385.239 3.271 20 0 GGADRL Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000392969369 972549015 /nfs/dbraw/zinc/54/90/15/972549015.db2.gz CAUIGUNHDHYYFC-UHFFFAOYSA-N -2 0 384.797 3.364 20 0 GGADRL O=C([O-])[C@@H]1CC(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])=NN1c1ccccc1 ZINC001605845236 972585583 /nfs/dbraw/zinc/58/55/83/972585583.db2.gz MGUYDXBXGLHRLA-AWEZNQCLSA-N -2 0 394.214 3.357 20 0 GGADRL O=C([O-])C1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCSCC1 ZINC001605934988 972868467 /nfs/dbraw/zinc/86/84/67/972868467.db2.gz UPMFFUFNERXYQV-UHFFFAOYSA-N -2 0 394.674 3.345 20 0 GGADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc(Cl)cc(Cl)c1 ZINC001605974618 972994721 /nfs/dbraw/zinc/99/47/21/972994721.db2.gz TZMCCCGMAPKINJ-RYUDHWBXSA-N -2 0 399.196 3.090 20 0 GGADRL O=C([O-])[C@H]1CCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])c2ccccc21 ZINC001606026369 973120838 /nfs/dbraw/zinc/12/08/38/973120838.db2.gz UWEKFIDXUSCXQJ-HNNXBMFYSA-N -2 0 397.818 3.450 20 0 GGADRL Cc1cccc([C@@H](NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C(=O)[O-])c1 ZINC001605329558 973199207 /nfs/dbraw/zinc/19/92/07/973199207.db2.gz XMYTVQLBGKKZQL-MRXNPFEDSA-N -2 0 385.807 3.095 20 0 GGADRL O=C([O-])CC[C@@H]1C[C@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])CO1 ZINC001606111508 973320523 /nfs/dbraw/zinc/32/05/23/973320523.db2.gz ITRUNTJKLJDHAH-IONNQARKSA-N -2 0 392.633 3.017 20 0 GGADRL CC[C@H](C(=O)[O-])N(C)C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001603496425 973447315 /nfs/dbraw/zinc/44/73/15/973447315.db2.gz HSGQVOVIUXLYCO-GFCCVEGCSA-N -2 0 396.852 3.295 20 0 GGADRL CCOc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000410028199 973925825 /nfs/dbraw/zinc/92/58/25/973925825.db2.gz FSRRSOGQWFHPOA-UHFFFAOYSA-N -2 0 379.434 3.372 20 0 GGADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)cc1)C(=O)[O-] ZINC000410058381 973927100 /nfs/dbraw/zinc/92/71/00/973927100.db2.gz KAZKJPKOAUOHBA-CYBMUJFWSA-N -2 0 389.473 3.464 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)c(F)c1 ZINC000410398681 973927528 /nfs/dbraw/zinc/92/75/28/973927528.db2.gz ADMDGTMUGKDGPC-UHFFFAOYSA-N -2 0 383.397 3.121 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NC(C)(C)C ZINC000410404542 973929183 /nfs/dbraw/zinc/92/91/83/973929183.db2.gz HNWNXQQEOZTHQL-UHFFFAOYSA-N -2 0 378.450 3.405 20 0 GGADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C=Cc1ccc(C(=O)[O-])o1 ZINC001603672745 974052857 /nfs/dbraw/zinc/05/28/57/974052857.db2.gz QITLOKWGPMIMHM-XQRVVYSFSA-N -2 0 387.417 3.140 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)ccc1C(=O)[O-] ZINC000432774634 974093957 /nfs/dbraw/zinc/09/39/57/974093957.db2.gz DGDHVXBHPZWZDJ-UHFFFAOYSA-N -2 0 393.314 3.352 20 0 GGADRL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3C)c2C)o1 ZINC000433600051 974095667 /nfs/dbraw/zinc/09/56/67/974095667.db2.gz PALCFFLUADLVJI-UHFFFAOYSA-N -2 0 393.396 3.233 20 0 GGADRL Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000435145154 974097147 /nfs/dbraw/zinc/09/71/47/974097147.db2.gz OBNUGZBUXNLSIP-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)c1O ZINC000436995177 974100348 /nfs/dbraw/zinc/10/03/48/974100348.db2.gz PSLFOYSBPYOGOI-UHFFFAOYSA-N -2 0 397.408 3.122 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1OCC(F)F ZINC000438765559 974102907 /nfs/dbraw/zinc/10/29/07/974102907.db2.gz TWDLRGGZKZMVGG-UHFFFAOYSA-N -2 0 389.351 3.277 20 0 GGADRL Cc1ccc(OCc2ccccc2)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000442244594 974116784 /nfs/dbraw/zinc/11/67/84/974116784.db2.gz ZHKGAIJVBNDXBI-UHFFFAOYSA-N -2 0 386.429 3.401 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)sc1C(=O)[O-] ZINC000443380964 974119971 /nfs/dbraw/zinc/11/99/71/974119971.db2.gz GMZRPIPRMSMGLH-UHFFFAOYSA-N -3 0 399.446 3.041 20 0 GGADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000446641103 974123545 /nfs/dbraw/zinc/12/35/45/974123545.db2.gz BLRQQIPTOKUBPC-UHFFFAOYSA-N -3 0 397.474 3.172 20 0 GGADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000462071607 974183247 /nfs/dbraw/zinc/18/32/47/974183247.db2.gz FPXRLZYEMWNQLV-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466354690 974190312 /nfs/dbraw/zinc/19/03/12/974190312.db2.gz CTCUZGLTFQFETR-UHFFFAOYSA-N -2 0 385.445 3.297 20 0 GGADRL COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466357179 974190340 /nfs/dbraw/zinc/19/03/40/974190340.db2.gz LVIVYDMTRIMMTH-UHFFFAOYSA-N -2 0 399.852 3.173 20 0 GGADRL Cc1ccc(-n2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)cn2)c(C)c1 ZINC000466413778 974190713 /nfs/dbraw/zinc/19/07/13/974190713.db2.gz LAKITZKLFSFGFF-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000467766275 974191567 /nfs/dbraw/zinc/19/15/67/974191567.db2.gz ALYXHAVPGLMNPD-UHFFFAOYSA-N -2 0 383.422 3.275 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C)c1 ZINC000467759646 974191704 /nfs/dbraw/zinc/19/17/04/974191704.db2.gz PRGDRMFPSRZLPQ-UHFFFAOYSA-N -2 0 393.339 3.337 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1N(C)C ZINC000467774339 974191952 /nfs/dbraw/zinc/19/19/52/974191952.db2.gz VDOFJFPNQQTNFV-UHFFFAOYSA-N -2 0 392.355 3.172 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)c(F)c1 ZINC000479200506 974215156 /nfs/dbraw/zinc/21/51/56/974215156.db2.gz UCVANOHMGQSHFO-UHFFFAOYSA-N -2 0 383.397 3.121 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)c2ccccc2)cc1 ZINC000479523564 974216507 /nfs/dbraw/zinc/21/65/07/974216507.db2.gz QIOQJEULUGRJDZ-UHFFFAOYSA-N -2 0 381.409 3.417 20 0 GGADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C(C)C ZINC000480221538 974219016 /nfs/dbraw/zinc/21/90/16/974219016.db2.gz GAFSENRGCFKPBK-UHFFFAOYSA-N -2 0 383.445 3.445 20 0 GGADRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000484987581 974223410 /nfs/dbraw/zinc/22/34/10/974223410.db2.gz NJMKFPLVPPDLEO-UHFFFAOYSA-N -2 0 389.351 3.390 20 0 GGADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n[nH]1 ZINC000489547175 974251609 /nfs/dbraw/zinc/25/16/09/974251609.db2.gz CWAOGUGBSWSSGZ-UHFFFAOYSA-N -2 0 375.381 3.023 20 0 GGADRL Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)c2)no1 ZINC000489739451 974252610 /nfs/dbraw/zinc/25/26/10/974252610.db2.gz FRHNPXLIOFTXLQ-UHFFFAOYSA-N -2 0 393.808 3.197 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cnn1CCC(C)C ZINC000491584677 974257225 /nfs/dbraw/zinc/25/72/25/974257225.db2.gz WHFKZMJGPTWFCZ-UHFFFAOYSA-N -2 0 397.472 3.438 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cnn1CCC(C)C ZINC000491591919 974257295 /nfs/dbraw/zinc/25/72/95/974257295.db2.gz PPXHFEYYHOAMEB-UHFFFAOYSA-N -2 0 383.445 3.130 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(C)C)cc1C(=O)[O-] ZINC000499276614 974266486 /nfs/dbraw/zinc/26/64/86/974266486.db2.gz ZPGOUHOXPSHUPB-UHFFFAOYSA-N -2 0 395.481 3.170 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000504665855 974270068 /nfs/dbraw/zinc/27/00/68/974270068.db2.gz MSUQWKMEJGYGLC-UHFFFAOYSA-N -2 0 393.314 3.352 20 0 GGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1)C(=O)[O-] ZINC000507904831 974279792 /nfs/dbraw/zinc/27/97/92/974279792.db2.gz WDDKPWJIELTPDA-QMMMGPOBSA-N -2 0 391.342 3.307 20 0 GGADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000509090537 974281237 /nfs/dbraw/zinc/28/12/37/974281237.db2.gz UDBBFJCLUWOXRI-UHFFFAOYSA-N -2 0 377.462 3.475 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(OC[C@@H]2CCCO2)c1 ZINC000511112421 974285164 /nfs/dbraw/zinc/28/51/64/974285164.db2.gz ZOULHFHFDRATQN-ZDUSSCGKSA-N -2 0 397.474 3.113 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1-c1cccc(C)c1 ZINC000518849367 974325774 /nfs/dbraw/zinc/32/57/74/974325774.db2.gz CUZOZBBGTNTPNG-UHFFFAOYSA-N -2 0 399.472 3.171 20 0 GGADRL CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000533164690 974376943 /nfs/dbraw/zinc/37/69/43/974376943.db2.gz HBWCWNKOMMMYMO-UHFFFAOYSA-N -2 0 391.371 3.156 20 0 GGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C1CC1 ZINC000536495819 974379135 /nfs/dbraw/zinc/37/91/35/974379135.db2.gz DQNAMCFGBONWSG-JTQLQIEISA-N -2 0 381.429 3.370 20 0 GGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1C1CC1 ZINC000534974521 974379554 /nfs/dbraw/zinc/37/95/54/974379554.db2.gz VGTAQBHKPQYSCP-LLVKDONJSA-N -2 0 393.465 3.239 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC(F)F)cc1F ZINC000536903172 974380390 /nfs/dbraw/zinc/38/03/90/974380390.db2.gz CJAPOQOGTDZIHA-UHFFFAOYSA-N -2 0 393.314 3.108 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)nn1-c1cc(C)cc(C)c1 ZINC000537394149 974382583 /nfs/dbraw/zinc/38/25/83/974382583.db2.gz KEAYJMHQRWZZAJ-UHFFFAOYSA-N -2 0 389.433 3.198 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OCC(F)F ZINC000539114769 974394050 /nfs/dbraw/zinc/39/40/50/974394050.db2.gz HZZBQEIIPVCUCR-UHFFFAOYSA-N -2 0 389.351 3.277 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)oc2c1 ZINC000539597050 974396625 /nfs/dbraw/zinc/39/66/25/974396625.db2.gz KYPDGPIFDJSJME-UHFFFAOYSA-N -2 0 399.384 3.290 20 0 GGADRL Cc1cc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000543662333 974418718 /nfs/dbraw/zinc/41/87/18/974418718.db2.gz FAHKMVQJCMTXCB-LBPRGKRZSA-N -2 0 391.445 3.066 20 0 GGADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000543665265 974418792 /nfs/dbraw/zinc/41/87/92/974418792.db2.gz YNYZLLMHNLFCKB-GFCCVEGCSA-N -2 0 379.482 3.145 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1C ZINC000543651425 974418807 /nfs/dbraw/zinc/41/88/07/974418807.db2.gz HRZXNAFXUHSEDO-GFCCVEGCSA-N -2 0 391.445 3.066 20 0 GGADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000543665271 974418910 /nfs/dbraw/zinc/41/89/10/974418910.db2.gz YNYZLLMHNLFCKB-LBPRGKRZSA-N -2 0 379.482 3.145 20 0 GGADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000544098923 974420008 /nfs/dbraw/zinc/42/00/08/974420008.db2.gz RAMCBAKKWSMSME-UHFFFAOYSA-N -2 0 381.429 3.335 20 0 GGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000544642036 974421154 /nfs/dbraw/zinc/42/11/54/974421154.db2.gz QUBZIJUMFOCJFY-NSHDSACASA-N -2 0 385.388 3.352 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000556279619 974488921 /nfs/dbraw/zinc/48/89/21/974488921.db2.gz WODGJVUJNMFXBE-UHFFFAOYSA-N -2 0 385.401 3.076 20 0 GGADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)c1 ZINC000558586214 974495474 /nfs/dbraw/zinc/49/54/74/974495474.db2.gz DEWDEDWDTMDKSR-UHFFFAOYSA-N -2 0 389.351 3.056 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1-c1ccccc1C ZINC000564549870 974549294 /nfs/dbraw/zinc/54/92/94/974549294.db2.gz FMNODRMUFQMSDW-UHFFFAOYSA-N -2 0 399.472 3.171 20 0 GGADRL CCCc1c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cnn1-c1ccccc1 ZINC000569399742 974691259 /nfs/dbraw/zinc/69/12/59/974691259.db2.gz DWVXPBSBOIWSRX-UHFFFAOYSA-N -2 0 399.472 3.253 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C1CC1 ZINC000569614911 974695813 /nfs/dbraw/zinc/69/58/13/974695813.db2.gz QCWJJLQZMCBJKZ-UHFFFAOYSA-N -2 0 377.466 3.224 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C(F)(F)F ZINC000570121331 974704974 /nfs/dbraw/zinc/70/49/74/974704974.db2.gz CQHMVZUGDWCWGT-SECBINFHSA-N -2 0 393.339 3.417 20 0 GGADRL Cn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1-c1ccccc1 ZINC000571715752 974735342 /nfs/dbraw/zinc/73/53/42/974735342.db2.gz UYOWLDPWVJRDGF-UHFFFAOYSA-N -2 0 391.836 3.240 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cn(C)nc1C1CCCCC1 ZINC000579796685 974881911 /nfs/dbraw/zinc/88/19/11/974881911.db2.gz MQHHKTJUOLHHPU-UHFFFAOYSA-N -2 0 377.466 3.275 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nn1-c1ccc(F)cc1F ZINC000580370211 974893652 /nfs/dbraw/zinc/89/36/52/974893652.db2.gz XUTHRDKWHXNKQQ-UHFFFAOYSA-N -2 0 399.400 3.019 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)cc1C(=O)[O-] ZINC000607104087 975017095 /nfs/dbraw/zinc/01/70/95/975017095.db2.gz RQRJFWKUSCLGLO-UHFFFAOYSA-N -2 0 379.409 3.422 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1O ZINC000612042318 975018922 /nfs/dbraw/zinc/01/89/22/975018922.db2.gz RLBRZOCXHHPHAA-UHFFFAOYSA-N -2 0 379.434 3.197 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(OCc3cccnc3)c2)c1 ZINC000614839398 975022751 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ZINC000769890440 978743069 /nfs/dbraw/zinc/74/30/69/978743069.db2.gz ASSZJSYZLLSQFY-UHFFFAOYSA-N -2 0 394.355 3.021 20 0 GGADRL Cc1cccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)c1F ZINC000775674491 978747549 /nfs/dbraw/zinc/74/75/49/978747549.db2.gz DVYJTRYPJQWIOX-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL COC(=O)c1ccc2ccccc2c1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000776742562 978775169 /nfs/dbraw/zinc/77/51/69/978775169.db2.gz VKVIUJOMVWVAJN-UHFFFAOYSA-N -2 0 399.424 3.054 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCO3)c(Cl)cc1Cl ZINC000782263302 978792565 /nfs/dbraw/zinc/79/25/65/978792565.db2.gz XVMREOPWDWUPGM-UHFFFAOYSA-N -2 0 390.200 3.221 20 0 GGADRL C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000783861695 978793863 /nfs/dbraw/zinc/79/38/63/978793863.db2.gz OSUFIFDBTPOVSC-SNVBAGLBSA-N -2 0 397.836 3.417 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)nn1[C@H](C)C1CC1 ZINC000783848785 978793955 /nfs/dbraw/zinc/79/39/55/978793955.db2.gz IPNZTUTXAAGFSQ-LLVKDONJSA-N -2 0 381.429 3.109 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F ZINC000783846369 978794014 /nfs/dbraw/zinc/79/40/14/978794014.db2.gz NAOATJZQTXGVLL-UHFFFAOYSA-N -2 0 385.241 3.020 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nn1[C@@H](C)C1CC1 ZINC000783850350 978794088 /nfs/dbraw/zinc/79/40/88/978794088.db2.gz QXOBWTDPVBHRNJ-JTQLQIEISA-N -2 0 383.857 3.315 20 0 GGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1C ZINC000790417485 978799480 /nfs/dbraw/zinc/79/94/80/978799480.db2.gz LACIOQIKZFVIPK-QMMMGPOBSA-N -2 0 389.836 3.454 20 0 GGADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000793414872 978808715 /nfs/dbraw/zinc/80/87/15/978808715.db2.gz HTRYXMQCKUDMIA-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793426477 978809628 /nfs/dbraw/zinc/80/96/28/978809628.db2.gz DVXPUDUTFSICLB-UHFFFAOYSA-N -2 0 385.438 3.364 20 0 GGADRL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000794762427 978819963 /nfs/dbraw/zinc/81/99/63/978819963.db2.gz NCQAPKUZKIEGIL-UHFFFAOYSA-N -2 0 395.408 3.118 20 0 GGADRL Cc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000811710386 978855991 /nfs/dbraw/zinc/85/59/91/978855991.db2.gz DYMXOIDEJVADDH-UHFFFAOYSA-N -2 0 396.293 3.186 20 0 GGADRL CCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c1C1CC1 ZINC000830087617 979012829 /nfs/dbraw/zinc/01/28/29/979012829.db2.gz NONBKBHJZDPSIC-UHFFFAOYSA-N -2 0 381.429 3.117 20 0 GGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1C ZINC001595026351 979134690 /nfs/dbraw/zinc/13/46/90/979134690.db2.gz HHXJZIALLWFGHD-MRVPVSSYSA-N -2 0 389.836 3.454 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C4CCCCC4)nc3c2)c[nH]1 ZINC000833306033 979146904 /nfs/dbraw/zinc/14/69/04/979146904.db2.gz OSBOQUFURCLHQG-UHFFFAOYSA-N -2 0 388.449 3.438 20 0 GGADRL CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)c1ccccc1 ZINC001595037192 979204117 /nfs/dbraw/zinc/20/41/17/979204117.db2.gz SACHNLPJLPZJQR-GFCCVEGCSA-N -2 0 395.864 3.427 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(C2CC2)cc1Cl ZINC000848458738 979474096 /nfs/dbraw/zinc/47/40/96/979474096.db2.gz YLQXJAWVFGRJAJ-UHFFFAOYSA-N -2 0 384.841 3.064 20 0 GGADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000863952623 979676593 /nfs/dbraw/zinc/67/65/93/979676593.db2.gz AGVWPBFCMLVFKZ-JKSUJKDBSA-N -2 0 379.478 3.040 20 0 GGADRL C[C@@H](Cc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1)C(=O)[O-] ZINC001592876572 979740420 /nfs/dbraw/zinc/74/04/20/979740420.db2.gz ASMMTDDOLJVAGC-LBPRGKRZSA-N -2 0 383.379 3.233 20 0 GGADRL C[C@H](Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)o1)CC(C)(C)C ZINC001592912895 979882192 /nfs/dbraw/zinc/88/21/92/979882192.db2.gz OQXQMFFKOKSNEX-SECBINFHSA-N -2 0 387.483 3.245 20 0 GGADRL C[C@@H](Cc1nnc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)o1)CC(C)(C)C ZINC001592913184 979886297 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0 380.466 3.362 20 0 GGADRL CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)c2C1 ZINC001595580214 981514545 /nfs/dbraw/zinc/51/45/45/981514545.db2.gz BKXTUTPWZALHHP-ZDUSSCGKSA-N -2 0 389.477 3.085 20 0 GGADRL CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)c2C1 ZINC001595580213 981514559 /nfs/dbraw/zinc/51/45/59/981514559.db2.gz BKXTUTPWZALHHP-CYBMUJFWSA-N -2 0 389.477 3.085 20 0 GGADRL CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2C1 ZINC001595580297 981516195 /nfs/dbraw/zinc/51/61/95/981516195.db2.gz DGNCRVDZPWVNPO-CYBMUJFWSA-N -2 0 391.493 3.028 20 0 GGADRL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001595631771 981843355 /nfs/dbraw/zinc/84/33/55/981843355.db2.gz CATQJDSYJXISHR-NSHDSACASA-N -2 0 375.874 3.450 20 0 GGADRL CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1cccnc1C(=O)[O-] ZINC001594814257 981937354 /nfs/dbraw/zinc/93/73/54/981937354.db2.gz KYKABIXNQWQZLE-UHFFFAOYSA-N -2 0 378.450 3.286 20 0 GGADRL CCCC[C@@H](NS(=O)(=O)c1c(Cl)cc(C)cc1Br)C(=O)[O-] ZINC001595640476 981962603 /nfs/dbraw/zinc/96/26/03/981962603.db2.gz GVGFEAGKWYATNG-LLVKDONJSA-N -2 0 398.706 3.333 20 0 GGADRL O=C([O-])[C@@H]1CCc2sc(NC(=O)CCCc3ccc(O)c(F)c3)nc2C1 ZINC000910678961 982053820 /nfs/dbraw/zinc/05/38/20/982053820.db2.gz ZMMJDWAACCVXDW-LLVKDONJSA-N -2 0 378.425 3.139 20 0 GGADRL O=C([O-])[C@H]1CCc2sc(NC(=O)CCCc3ccc(O)c(F)c3)nc2C1 ZINC000910678963 982054589 /nfs/dbraw/zinc/05/45/89/982054589.db2.gz ZMMJDWAACCVXDW-NSHDSACASA-N -2 0 378.425 3.139 20 0 GGADRL CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001594853093 982107191 /nfs/dbraw/zinc/10/71/91/982107191.db2.gz HIYVZGJVCRRLLQ-LLVKDONJSA-N -2 0 377.743 3.187 20 0 GGADRL CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001594853094 982107305 /nfs/dbraw/zinc/10/73/05/982107305.db2.gz HIYVZGJVCRRLLQ-NSHDSACASA-N -2 0 377.743 3.187 20 0 GGADRL CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001595694872 982214166 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GGADRL CCCCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)o1 ZINC001595799575 982614617 /nfs/dbraw/zinc/61/46/17/982614617.db2.gz ZCWFJKPGNKUHLJ-UHFFFAOYSA-N -2 0 394.236 3.218 20 0 GGADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001595890730 982920986 /nfs/dbraw/zinc/92/09/86/982920986.db2.gz AUNKKUOARNZVOB-VXGBXAGGSA-N -2 0 377.466 3.027 20 0 GGADRL COc1cc(F)cc(F)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC001116095205 982923303 /nfs/dbraw/zinc/92/33/03/982923303.db2.gz KNQSTCQQAQIXBY-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001595891461 982926107 /nfs/dbraw/zinc/92/61/07/982926107.db2.gz TWMBUGHGRVTGAA-UHFFFAOYSA-N -2 0 389.408 3.287 20 0 GGADRL CCCOc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)cc1C ZINC001595966750 983174823 /nfs/dbraw/zinc/17/48/23/983174823.db2.gz QOSCSUOBXSOZOP-UHFFFAOYSA-N -2 0 385.463 3.353 20 0 GGADRL CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001595974381 983200582 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0 GGADRL CCCc1cnc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])s1 ZINC001596082009 983397097 /nfs/dbraw/zinc/39/70/97/983397097.db2.gz KDGNCMZHFMGWRS-UHFFFAOYSA-N -2 0 377.447 3.143 20 0 GGADRL CCN(C(=O)c1cc(Br)c(F)cc1[O-])c1ncc(C(=O)[O-])s1 ZINC001596161327 983525316 /nfs/dbraw/zinc/52/53/16/983525316.db2.gz SANJYSAGQOMLGW-UHFFFAOYSA-N -2 0 389.202 3.115 20 0 GGADRL CCN(CC)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(OC)c2)cc1 ZINC001596288584 983708337 /nfs/dbraw/zinc/70/83/37/983708337.db2.gz QCOUDJZAPSYJHX-UHFFFAOYSA-N -2 0 378.450 3.040 20 0 GGADRL C/C(=C\C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1Cl ZINC001588942395 984635687 /nfs/dbraw/zinc/63/56/87/984635687.db2.gz JEEGWKDSPSRXEE-FMIVXFBMSA-N -2 0 393.848 3.088 20 0 GGADRL CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])c1 ZINC001596706520 984909578 /nfs/dbraw/zinc/90/95/78/984909578.db2.gz MIIZSJPYZFDJLE-UHFFFAOYSA-N -2 0 389.838 3.077 20 0 GGADRL CCOC(=O)c1ccc(F)c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001596719188 984957213 /nfs/dbraw/zinc/95/72/13/984957213.db2.gz JTFUXCOEMHFWHH-UHFFFAOYSA-N -2 0 395.408 3.118 20 0 GGADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1ccccc1Cl ZINC001599948115 985563511 /nfs/dbraw/zinc/56/35/11/985563511.db2.gz KWZOANNYVSODJI-NSHDSACASA-N -2 0 383.853 3.169 20 0 GGADRL Cc1[nH]c(C([O-])=CS(=O)(=O)Cc2cccc3ccccc32)c(C)c1C(=O)[O-] ZINC001599948249 985565773 /nfs/dbraw/zinc/56/57/73/985565773.db2.gz XRXATOWGPSMYKV-UHFFFAOYSA-N -2 0 385.441 3.281 20 0 GGADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)Cc1cccc(C(F)F)c1 ZINC001599948329 985566988 /nfs/dbraw/zinc/56/69/88/985566988.db2.gz MVWFAGFUTRCZCQ-LLVKDONJSA-N -2 0 399.415 3.454 20 0 GGADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)CC=Cc1ccccc1 ZINC001599948764 985573010 /nfs/dbraw/zinc/57/30/10/985573010.db2.gz RXWNNERPJAQBCU-JKEYDSJLSA-N -2 0 375.446 3.029 20 0 GGADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC001599967645 985936302 /nfs/dbraw/zinc/93/63/02/985936302.db2.gz XINHODKOCWQFEP-UHFFFAOYSA-N -2 0 399.297 3.174 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]c1-c1ccccc1 ZINC001599969699 985983160 /nfs/dbraw/zinc/98/31/60/985983160.db2.gz QUNLKMWQKMTRLJ-FMIVXFBMSA-N -2 0 383.429 3.284 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)[nH]nc1-c1ccccc1 ZINC001599969927 985987468 /nfs/dbraw/zinc/98/74/68/985987468.db2.gz YTUXPVNHPOGHDO-UHFFFAOYSA-N -2 0 375.381 3.023 20 0 GGADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2C)c1 ZINC001589283829 986014901 /nfs/dbraw/zinc/01/49/01/986014901.db2.gz KOGQOLBFLLFLTL-UHFFFAOYSA-N -2 0 385.800 3.489 20 0 GGADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cnc(C(=O)[O-])c(Cl)c2)c1 ZINC001589283931 986017193 /nfs/dbraw/zinc/01/71/93/986017193.db2.gz OYMJFQCQZQQRLG-UHFFFAOYSA-N -2 0 389.216 3.090 20 0 GGADRL Cc1c2ccc3ccccc3c2oc1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001599982358 986181382 /nfs/dbraw/zinc/18/13/82/986181382.db2.gz QUDGZMGXQXVTHS-UHFFFAOYSA-N -2 0 389.429 3.065 20 0 GGADRL CCOc1cc(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)cc(Cl)c1O ZINC001596998978 986302741 /nfs/dbraw/zinc/30/27/41/986302741.db2.gz DFCYWZFYOPVYHW-UHFFFAOYSA-N -2 0 375.808 3.341 20 0 GGADRL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001597032002 986453652 /nfs/dbraw/zinc/45/36/52/986453652.db2.gz NNEXOVDKPDHNED-UHFFFAOYSA-N -2 0 386.429 3.441 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-])O[C@@H](C)C2 ZINC001597048391 986509595 /nfs/dbraw/zinc/50/95/95/986509595.db2.gz CPEISZDQXPHVBX-LBPRGKRZSA-N -2 0 391.445 3.216 20 0 GGADRL CCOc1ccc(C[C@@H](CNC(=O)c2ccc([O-])c(Cl)c2)C(=O)[O-])cc1 ZINC001597088557 986663561 /nfs/dbraw/zinc/66/35/61/986663561.db2.gz ILKJAYMAFHADSG-AWEZNQCLSA-N -2 0 377.824 3.118 20 0 GGADRL CCOc1ccc(C[C@H](CNC(=O)c2ccc([O-])c(Cl)c2)C(=O)[O-])cc1 ZINC001597088559 986663675 /nfs/dbraw/zinc/66/36/75/986663675.db2.gz ILKJAYMAFHADSG-CQSZACIVSA-N -2 0 377.824 3.118 20 0 GGADRL CCOc1ccc(C[C@H](CNC(=O)c2cc(F)cc(Cl)c2[O-])C(=O)[O-])cc1 ZINC001597089820 986674448 /nfs/dbraw/zinc/67/44/48/986674448.db2.gz YBOVWWCWSFEQRU-GFCCVEGCSA-N -2 0 395.814 3.257 20 0 GGADRL CCOc1ccc(C[C@@H](CNC(=O)c2cc(F)cc(Cl)c2[O-])C(=O)[O-])cc1 ZINC001597089821 986674786 /nfs/dbraw/zinc/67/47/86/986674786.db2.gz YBOVWWCWSFEQRU-LBPRGKRZSA-N -2 0 395.814 3.257 20 0 GGADRL CC(C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)=C1CCCC1 ZINC001589423695 986683040 /nfs/dbraw/zinc/68/30/40/986683040.db2.gz PLFJDLDKOFOGKS-UHFFFAOYSA-N -2 0 391.367 3.099 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cc1OC ZINC001597126052 986835020 /nfs/dbraw/zinc/83/50/20/986835020.db2.gz PZGZPGFNNJVAEO-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL CCOc1ccc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)sc2c1 ZINC001597144490 986905395 /nfs/dbraw/zinc/90/53/95/986905395.db2.gz YDWDLGGHLAXERZ-UHFFFAOYSA-N -2 0 396.421 3.333 20 0 GGADRL CCOc1cccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)[O-])n1 ZINC001597161664 986967811 /nfs/dbraw/zinc/96/78/11/986967811.db2.gz JYWGRUBHGDAHFT-UHFFFAOYSA-N -2 0 391.232 3.286 20 0 GGADRL C[C@H](C(=O)[O-])N(C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])C1CCC1 ZINC001589479224 987008434 /nfs/dbraw/zinc/00/84/34/987008434.db2.gz SJKNQQMRXSKOCQ-SNVBAGLBSA-N -2 0 397.353 3.065 20 0 GGADRL CCSCc1ccnc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC001597267211 987300819 /nfs/dbraw/zinc/30/08/19/987300819.db2.gz HJERFAHUJAZRIO-VMPITWQZSA-N -2 0 378.475 3.233 20 0 GGADRL CCSCc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001597267235 987301800 /nfs/dbraw/zinc/30/18/00/987301800.db2.gz HSNVGTQHBTXAQG-UHFFFAOYSA-N -2 0 376.843 3.080 20 0 GGADRL CC(C)(C(=O)[O-])c1csc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)n1 ZINC001589657234 987629614 /nfs/dbraw/zinc/62/96/14/987629614.db2.gz VJNQWYUJDDUTRI-UHFFFAOYSA-N -2 0 378.834 3.099 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)onc1C(F)(F)F ZINC001597415196 987714617 /nfs/dbraw/zinc/71/46/17/987714617.db2.gz MOFVVXDGZVEGHO-UHFFFAOYSA-N -2 0 378.328 3.063 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cnn1C(CC)CC ZINC001597419525 987723316 /nfs/dbraw/zinc/72/33/16/987723316.db2.gz BNZGPBUPVYGITA-UHFFFAOYSA-N -2 0 380.470 3.009 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])cnn1CC(C)C ZINC001597419592 987724360 /nfs/dbraw/zinc/72/43/60/987724360.db2.gz FKCMSLJLPOBGQA-UHFFFAOYSA-N -2 0 385.873 3.254 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cnn1C(CC)CC ZINC001597419830 987728061 /nfs/dbraw/zinc/72/80/61/987728061.db2.gz LRQOXWCRMDAPSY-UHFFFAOYSA-N -2 0 383.445 3.445 20 0 GGADRL CCc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001597477051 987945780 /nfs/dbraw/zinc/94/57/80/987945780.db2.gz SMVXKBUKFLAKFU-UHFFFAOYSA-N -2 0 380.853 3.214 20 0 GGADRL CC(C)(C)[C@@H]1CCc2nc([N-]S(=O)(=O)c3cncc(C(=O)[O-])c3)sc2C1 ZINC001589735931 987989249 /nfs/dbraw/zinc/98/92/49/987989249.db2.gz ZBZSIHXZLYMTLR-LLVKDONJSA-N -2 0 395.506 3.188 20 0 GGADRL CC(C)(C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001589771700 988122768 /nfs/dbraw/zinc/12/27/68/988122768.db2.gz CUHIQHUNKDQRIJ-UHFFFAOYSA-N -2 0 375.874 3.450 20 0 GGADRL CC(C)(C)Cc1nc2cc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)ccc2o1 ZINC001589793399 988184855 /nfs/dbraw/zinc/18/48/55/988184855.db2.gz TVNYNVRTIGYDCG-UHFFFAOYSA-N -2 0 377.422 3.244 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2cc(/C=C/C(=O)[O-])cc(OC)c2OC)cc1 ZINC001597556431 988288439 /nfs/dbraw/zinc/28/84/39/988288439.db2.gz QHQQMBWMWCNGRE-JXMROGBWSA-N -2 0 391.445 3.165 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2Cl)c(C(=O)[O-])c1 ZINC001597557123 988295062 /nfs/dbraw/zinc/29/50/62/988295062.db2.gz YDMAEOCPJZODPZ-UHFFFAOYSA-N -2 0 399.852 3.419 20 0 GGADRL CCc1cccc(C(=O)OC)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001597578664 988374847 /nfs/dbraw/zinc/37/48/47/988374847.db2.gz JCYHHDJWMNUJAP-UHFFFAOYSA-N -2 0 397.836 3.188 20 0 GGADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC001597591756 988415550 /nfs/dbraw/zinc/41/55/50/988415550.db2.gz HUPNSVSCPIPESM-UHFFFAOYSA-N -2 0 379.825 3.049 20 0 GGADRL CCc1cccc(F)c1[C@@H]1NC(=O)N(CCCCCC(=O)[O-])C(C)=C1C(=O)[O-] ZINC001597592910 988423766 /nfs/dbraw/zinc/42/37/66/988423766.db2.gz NAVWCUBXHCIBQO-GOSISDBHSA-N -2 0 392.427 3.458 20 0 GGADRL CCc1cccc(F)c1[C@H]1NC(=O)N(CCCCCC(=O)[O-])C(C)=C1C(=O)[O-] ZINC001597592911 988423859 /nfs/dbraw/zinc/42/38/59/988423859.db2.gz NAVWCUBXHCIBQO-SFHVURJKSA-N -2 0 392.427 3.458 20 0 GGADRL CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)n1 ZINC001597604244 988479971 /nfs/dbraw/zinc/47/99/71/988479971.db2.gz IMSGPHPXTWKSRJ-UHFFFAOYSA-N -2 0 395.415 3.164 20 0 GGADRL CSc1ccc(NC(=O)c2cc(C(=O)OC(C)(C)C)[n-]n2)cc1C(=O)[O-] ZINC001599819640 988489521 /nfs/dbraw/zinc/48/95/21/988489521.db2.gz ZXHIJOGQRPXBGX-UHFFFAOYSA-N -2 0 377.422 3.037 20 0 GGADRL CCc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2CC)c1-c1cccs1 ZINC001597644604 988654085 /nfs/dbraw/zinc/65/40/85/988654085.db2.gz CZECHYQPTQKWPH-UHFFFAOYSA-N -2 0 395.462 3.355 20 0 GGADRL CCc1[nH]nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1-c1cccs1 ZINC001597645451 988663996 /nfs/dbraw/zinc/66/39/96/988663996.db2.gz RXPCOCMAGHCCNV-UHFFFAOYSA-N -2 0 377.447 3.200 20 0 GGADRL CCc1nc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)sc1C(=O)[O-] ZINC001597685185 988830420 /nfs/dbraw/zinc/83/04/20/988830420.db2.gz FDFNJANXVRCTAM-UHFFFAOYSA-N -2 0 384.479 3.239 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)c(F)c1 ZINC001597785508 989303903 /nfs/dbraw/zinc/30/39/03/989303903.db2.gz IMVFDGCGBQPQHU-UHFFFAOYSA-N -2 0 392.202 3.243 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nccc(C)n2)cc1 ZINC001597786204 989309566 /nfs/dbraw/zinc/30/95/66/989309566.db2.gz ZKAGKQVHYMQKRT-UHFFFAOYSA-N -2 0 387.417 3.106 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn([C@H](C)CC)c1C1CC1 ZINC001597790774 989314790 /nfs/dbraw/zinc/31/47/90/989314790.db2.gz IUCVMPCIJJKDAU-SNVBAGLBSA-N -2 0 381.454 3.386 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(C)c1 ZINC001597792040 989329668 /nfs/dbraw/zinc/32/96/68/989329668.db2.gz VVQVWDLGTXJMJT-UHFFFAOYSA-N -2 0 378.450 3.250 20 0 GGADRL CCn1c(=O)c2ccc(C(=O)Nc3cc(C(=O)[O-])sc3C)cc2[n-]c1=S ZINC001597860301 989634238 /nfs/dbraw/zinc/63/42/38/989634238.db2.gz MGAMKADLEPBTDT-UHFFFAOYSA-N -2 0 389.458 3.026 20 0 GGADRL CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3F)cc21 ZINC001597962986 989997565 /nfs/dbraw/zinc/99/75/65/989997565.db2.gz QOTZNMWTBYOUMJ-UHFFFAOYSA-N -2 0 397.815 3.348 20 0 GGADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n[nH]1 ZINC001590461612 990030422 /nfs/dbraw/zinc/03/04/22/990030422.db2.gz FUWFZEFISGXUET-UHFFFAOYSA-N -2 0 391.371 3.225 20 0 GGADRL CC(C)(C)c1ccc([C@@H]([N-]S(=O)(=O)[C@H]2C[C@@H](C(=O)[O-])C2)C(F)(F)F)cc1 ZINC001590480302 990062853 /nfs/dbraw/zinc/06/28/53/990062853.db2.gz OCYCDFBIRPJMSO-KWCYVHTRSA-N -2 0 393.427 3.370 20 0 GGADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(C(=O)[O-])c1 ZINC001590493374 990095330 /nfs/dbraw/zinc/09/53/30/990095330.db2.gz KJQVBRGEECJJLF-UHFFFAOYSA-N -3 0 383.447 3.243 20 0 GGADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2cccc3cnccc32)sc1C(=O)[O-] ZINC001590545960 990186511 /nfs/dbraw/zinc/18/65/11/990186511.db2.gz XKHPGVRTIICBHY-UHFFFAOYSA-N -2 0 391.474 3.488 20 0 GGADRL CN(C(=O)c1cc(Br)c(F)cc1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC001598072986 990373577 /nfs/dbraw/zinc/37/35/77/990373577.db2.gz ICNWAPJXNYANNH-CQSZACIVSA-N -2 0 382.185 3.192 20 0 GGADRL CN(C(=O)c1cc(Br)c(F)cc1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC001598072982 990373837 /nfs/dbraw/zinc/37/38/37/990373837.db2.gz ICNWAPJXNYANNH-AWEZNQCLSA-N -2 0 382.185 3.192 20 0 GGADRL CN(C(=O)c1cc(Cl)c2ccccc2c1[O-])[C@H](COC1CCC1)C(=O)[O-] ZINC001598077286 990382609 /nfs/dbraw/zinc/38/26/09/990382609.db2.gz GSTOTVNABCFJRZ-MRXNPFEDSA-N -2 0 377.824 3.293 20 0 GGADRL CC(C)(CS(=O)(=O)[N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(=O)[O-] ZINC001590798813 990624774 /nfs/dbraw/zinc/62/47/74/990624774.db2.gz FDNUDOXUGVMVMP-JTQLQIEISA-N -2 0 391.770 3.113 20 0 GGADRL CC(C)(CS(=O)(=O)[N-]c1ccn(-c2ccc(Cl)cc2Cl)n1)C(=O)[O-] ZINC001590812366 990644843 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376.459 3.466 20 0 GGADRL CC(C)C[C@H](C(=O)[O-])[S@](=O)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001591123098 991802517 /nfs/dbraw/zinc/80/25/17/991802517.db2.gz MBWVXTXVBSVVKS-DLUDVSRJSA-N -2 0 381.475 3.256 20 0 GGADRL CC(C)CCCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001591228342 992103821 /nfs/dbraw/zinc/10/38/21/992103821.db2.gz DITVUWWCSHPDFC-UHFFFAOYSA-N -2 0 381.372 3.035 20 0 GGADRL CC(C)Cn1ncc(NS(=O)(=O)CC2(C(=O)[O-])CCCCC2)c1C(C)C ZINC001591533928 992713742 /nfs/dbraw/zinc/71/37/42/992713742.db2.gz SDTAUQBNFVNCFA-UHFFFAOYSA-N -2 0 385.530 3.439 20 0 GGADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001598537724 992860375 /nfs/dbraw/zinc/86/03/75/992860375.db2.gz KUVLTIMLMHBHKD-UHFFFAOYSA-N -2 0 386.433 3.078 20 0 GGADRL COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c(C(=O)[O-])c1 ZINC001599597834 993772047 /nfs/dbraw/zinc/77/20/47/993772047.db2.gz BFHVBXLFTCCFSM-UHFFFAOYSA-N -2 0 393.417 3.016 20 0 GGADRL C[C@@](NC(=O)c1cc(Br)c(F)cc1[O-])(C(=O)[O-])c1ccccc1 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20 0 GGADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC001599377595 998512139 /nfs/dbraw/zinc/51/21/39/998512139.db2.gz GGLXMRCQFFPMFY-UHFFFAOYSA-N -2 0 389.351 3.299 20 0 GGADRL COC(=O)c1csc(S(=O)(=O)[N-]c2c(C(=O)[O-])ccc3ccccc32)c1 ZINC001599014189 998924806 /nfs/dbraw/zinc/92/48/06/998924806.db2.gz VCRZPFKBADPLBY-UHFFFAOYSA-N -2 0 391.426 3.187 20 0 GGADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001599024282 999005190 /nfs/dbraw/zinc/00/51/90/999005190.db2.gz ZECOIKJQCAOINH-UHFFFAOYSA-N -2 0 395.867 3.057 20 0 GGADRL C[C@H]1CC[C@](NS(=O)(=O)c2cccc(Cl)c2[O-])(C(=O)[O-])c2ccccc21 ZINC001594326396 999254590 /nfs/dbraw/zinc/25/45/90/999254590.db2.gz JOWZIRZMTMNSPB-BBATYDOGSA-N -2 0 395.864 3.201 20 0 GGADRL C[C@@H]1CCC[C@H](OCc2cccc([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])c2)C1 ZINC001594355944 999342985 /nfs/dbraw/zinc/34/29/85/999342985.db2.gz NYJOHHZIHIRTLY-DOMZBBRYSA-N -2 0 393.465 3.004 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000012631380 206922872 /nfs/dbraw/zinc/92/28/72/206922872.db2.gz CBNWVFBQODNHCQ-UHFFFAOYSA-N -2 0 391.323 3.093 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCC(F)(F)F ZINC000014205773 207017135 /nfs/dbraw/zinc/01/71/35/207017135.db2.gz GXONLRSMHWYGAZ-UHFFFAOYSA-N -2 0 389.351 3.435 20 0 GGADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1 ZINC000021759745 207235927 /nfs/dbraw/zinc/23/59/27/207235927.db2.gz VGDDPOFZOCALJA-JXMROGBWSA-N -2 0 387.335 3.484 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1n[nH]c(C2CC2)n1 ZINC000026541394 207315822 /nfs/dbraw/zinc/31/58/22/207315822.db2.gz ROGKVUMITDJMGY-UHFFFAOYSA-N -2 0 398.444 3.157 20 0 GGADRL CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000031669279 207384738 /nfs/dbraw/zinc/38/47/38/207384738.db2.gz WHKGUKCKHLAFIW-UHFFFAOYSA-N -2 0 396.852 3.434 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c1 ZINC000071887392 207548970 /nfs/dbraw/zinc/54/89/70/207548970.db2.gz MIKYYYFANAPWRL-UHFFFAOYSA-N -2 0 381.353 3.188 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c1 ZINC000033048504 208995050 /nfs/dbraw/zinc/99/50/50/208995050.db2.gz RWKNCWOMVNSTOK-UHFFFAOYSA-N -2 0 383.809 3.000 20 0 GGADRL O=C([O-])CCCCCNS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000236427889 565938569 /nfs/dbraw/zinc/93/85/69/565938569.db2.gz PAEWQYXIPDMWLO-UHFFFAOYSA-N -2 0 384.679 3.026 20 0 GGADRL CCOc1ccc2nc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)sc2c1 ZINC000012544781 564267943 /nfs/dbraw/zinc/26/79/43/564267943.db2.gz ZESODAZHQOUVMH-UHFFFAOYSA-N -2 0 378.431 3.194 20 0 GGADRL Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000012647433 564269661 /nfs/dbraw/zinc/26/96/61/564269661.db2.gz VEPHOAGWXBAABY-UHFFFAOYSA-N -2 0 395.487 3.132 20 0 GGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000023385464 564324240 /nfs/dbraw/zinc/32/42/40/564324240.db2.gz DBGNKBIJBGSGON-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000024433242 564330761 /nfs/dbraw/zinc/33/07/61/564330761.db2.gz CPCPYEGQKKUMLA-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC000032086711 564395915 /nfs/dbraw/zinc/39/59/15/564395915.db2.gz SCMDLGPRUPYHEG-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000032587833 564402833 /nfs/dbraw/zinc/40/28/33/564402833.db2.gz MLDZTPGFFCGJGK-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000032630275 564403802 /nfs/dbraw/zinc/40/38/02/564403802.db2.gz KVPYRJIOMGHMNU-UHFFFAOYSA-N -2 0 385.463 3.435 20 0 GGADRL O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cccs1 ZINC000035683767 564416526 /nfs/dbraw/zinc/41/65/26/564416526.db2.gz DVRSCYMUIPHLQG-UHFFFAOYSA-N -2 0 394.499 3.350 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)sc1C(=O)[O-] ZINC000042794520 564450432 /nfs/dbraw/zinc/45/04/32/564450432.db2.gz KMAUUPAJSPDVFV-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)sc1Br ZINC000123550989 564452483 /nfs/dbraw/zinc/45/24/83/564452483.db2.gz PHQPRZUHBBHXLA-UHFFFAOYSA-N -2 0 390.280 3.247 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)sc1C(=O)[O-] ZINC000045774691 564489063 /nfs/dbraw/zinc/48/90/63/564489063.db2.gz VRVKAXCUYHVIEW-UHFFFAOYSA-N -2 0 381.353 3.454 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)sc1C(=O)[O-] ZINC000045946657 564491689 /nfs/dbraw/zinc/49/16/89/564491689.db2.gz PVRSFSHFINTHMI-UHFFFAOYSA-N -2 0 381.353 3.454 20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000047202429 564515154 /nfs/dbraw/zinc/51/51/54/564515154.db2.gz CTSWACRKLJDPOE-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)sc1C(=O)[O-] ZINC000048382670 564538616 /nfs/dbraw/zinc/53/86/16/564538616.db2.gz RQQPYEZPNVMODX-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2sccc2Br)ccc1F ZINC000048440948 564538960 /nfs/dbraw/zinc/53/89/60/564538960.db2.gz CDHZGSBSCPLLCK-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(Br)s2)cccc1C(=O)[O-] ZINC000048798351 564546372 /nfs/dbraw/zinc/54/63/72/564546372.db2.gz VXGMEJZGQHGNCW-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2sccc2Br)cccc1C(=O)[O-] ZINC000049061141 564548290 /nfs/dbraw/zinc/54/82/90/564548290.db2.gz HMKCAGGSPPEYQW-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(OCC(F)(F)F)c2)sc1C(=O)[O-] ZINC000055587397 564625278 /nfs/dbraw/zinc/62/52/78/564625278.db2.gz IKJSLSJIHOUOAG-UHFFFAOYSA-N -2 0 395.380 3.497 20 0 GGADRL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1C ZINC000055674185 564629821 /nfs/dbraw/zinc/62/98/21/564629821.db2.gz CAYAMNKISPOUOP-UHFFFAOYSA-N -2 0 382.463 3.131 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)cs1 ZINC000130396629 564678774 /nfs/dbraw/zinc/67/87/74/564678774.db2.gz HCWBUIDZXQMSQA-UHFFFAOYSA-N -2 0 383.838 3.086 20 0 GGADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)[O-])c1 ZINC000058088319 564679428 /nfs/dbraw/zinc/67/94/28/564679428.db2.gz AWURERFTQKCLEO-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)c1 ZINC000058358261 564682192 /nfs/dbraw/zinc/68/21/92/564682192.db2.gz DYKOIWLFOREFNI-UHFFFAOYSA-N -2 0 376.415 3.434 20 0 GGADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccccc1Br ZINC000060367183 564697365 /nfs/dbraw/zinc/69/73/65/564697365.db2.gz WQGRMYKHYYFYTB-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000063181168 564715120 /nfs/dbraw/zinc/71/51/20/564715120.db2.gz HMQKXRTYIIHQQP-UHFFFAOYSA-N -2 0 382.463 3.294 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)ccc1C(=O)[O-] ZINC000066290408 564760770 /nfs/dbraw/zinc/76/07/70/564760770.db2.gz WHDGFPVZIOMMEB-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2OCC(F)(F)F)c[nH]1 ZINC000071092874 564856378 /nfs/dbraw/zinc/85/63/78/564856378.db2.gz BQTDPNNSUMSYLN-UHFFFAOYSA-N -2 0 398.746 3.108 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)sc1Br ZINC000149456543 564885721 /nfs/dbraw/zinc/88/57/21/564885721.db2.gz MCCIYFYBLZWCPN-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)sc1Br ZINC000149494047 564885817 /nfs/dbraw/zinc/88/58/17/564885817.db2.gz KHYDLJUFFMZUED-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000154460273 565039917 /nfs/dbraw/zinc/03/99/17/565039917.db2.gz QQLVXEQOXQEFFR-UHFFFAOYSA-N -2 0 388.214 3.016 20 0 GGADRL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000114119549 565072524 /nfs/dbraw/zinc/07/25/24/565072524.db2.gz IJDTYCUPIQIOGE-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c(C)c1C(=O)[O-] ZINC000156354732 565082978 /nfs/dbraw/zinc/08/29/78/565082978.db2.gz UZLDDBJIIMFYEK-UHFFFAOYSA-N -2 0 377.447 3.254 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1Br ZINC000157131711 565120252 /nfs/dbraw/zinc/12/02/52/565120252.db2.gz ALBIJNOVTGETGM-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)c(Br)cc2F)cc1 ZINC000159902634 565222239 /nfs/dbraw/zinc/22/22/39/565222239.db2.gz DEXBOAXOFVLMFF-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000387915396 565550319 /nfs/dbraw/zinc/55/03/19/565550319.db2.gz SOPBOIHCPIELPG-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1C ZINC000392988387 565566727 /nfs/dbraw/zinc/56/67/27/565566727.db2.gz VMXHHKHMXAEPKN-UHFFFAOYSA-N -2 0 382.825 3.106 20 0 GGADRL Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000314367273 565585543 /nfs/dbraw/zinc/58/55/43/565585543.db2.gz OFOADGCCGPZZTI-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(F)cc1Br ZINC000314007524 565585778 /nfs/dbraw/zinc/58/57/78/565585778.db2.gz DOFJKPTYKADCMT-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c1 ZINC000314369394 565586179 /nfs/dbraw/zinc/58/61/79/565586179.db2.gz OSHJHQPUKTYRLT-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)sc1Br ZINC000313975796 565586239 /nfs/dbraw/zinc/58/62/39/565586239.db2.gz IGJYSSJXOWIRGB-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)cc1 ZINC000314068275 565586377 /nfs/dbraw/zinc/58/63/77/565586377.db2.gz BSZDKEJPXFUKEI-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(F)c1 ZINC000324834525 565618741 /nfs/dbraw/zinc/61/87/41/565618741.db2.gz QKNFDVNAGATBLK-UHFFFAOYSA-N -2 0 381.353 3.296 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1Cl ZINC000324671071 565619068 /nfs/dbraw/zinc/61/90/68/565619068.db2.gz OAQPOBWUYVBMFT-UHFFFAOYSA-N -2 0 391.854 3.226 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)cs1 ZINC000324675309 565619496 /nfs/dbraw/zinc/61/94/96/565619496.db2.gz PKDQSWBTNPNOCL-UHFFFAOYSA-N -2 0 381.353 3.188 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(F)(F)F)c1 ZINC000324926316 565620612 /nfs/dbraw/zinc/62/06/12/565620612.db2.gz VYLWQHUJEPYKAL-UHFFFAOYSA-N -2 0 381.353 3.275 20 0 GGADRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])s1 ZINC000326553205 565625279 /nfs/dbraw/zinc/62/52/79/565625279.db2.gz WZEGVQKLDLZTOO-UHFFFAOYSA-N -2 0 376.337 3.138 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000326925568 565627428 /nfs/dbraw/zinc/62/74/28/565627428.db2.gz AVUZRJFFRSARCZ-UHFFFAOYSA-N -2 0 375.324 3.213 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCC(F)(F)F ZINC000327323848 565629436 /nfs/dbraw/zinc/62/94/36/565629436.db2.gz CVELZURNDDATEQ-UHFFFAOYSA-N -2 0 395.380 3.497 20 0 GGADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000327355595 565629600 /nfs/dbraw/zinc/62/96/00/565629600.db2.gz VRGJMBCXYKARII-UHFFFAOYSA-N -2 0 375.324 3.213 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c(F)c1 ZINC000327490907 565630315 /nfs/dbraw/zinc/63/03/15/565630315.db2.gz XZLGKLZTTACZJE-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000327429190 565630903 /nfs/dbraw/zinc/63/09/03/565630903.db2.gz OCHSXHYISKTOJP-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)cc1 ZINC000327617545 565631951 /nfs/dbraw/zinc/63/19/51/565631951.db2.gz NIXPPXNPRMZAGQ-UHFFFAOYSA-N -2 0 379.312 3.028 20 0 GGADRL CCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000327535180 565632217 /nfs/dbraw/zinc/63/22/17/565632217.db2.gz UHIJEIQVMNBPGK-UHFFFAOYSA-N -2 0 383.809 3.100 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)ccc1C(=O)[O-] ZINC000327700624 565632347 /nfs/dbraw/zinc/63/23/47/565632347.db2.gz WWRIZRSUSWFBIB-UHFFFAOYSA-N -2 0 375.324 3.213 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1F ZINC000327722364 565633108 /nfs/dbraw/zinc/63/31/08/565633108.db2.gz FGJYLIXJLAFGTB-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c(Cl)c1 ZINC000327846797 565633372 /nfs/dbraw/zinc/63/33/72/565633372.db2.gz QOVMARSBJBXKHM-UHFFFAOYSA-N -2 0 383.809 3.000 20 0 GGADRL CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000327920370 565633714 /nfs/dbraw/zinc/63/37/14/565633714.db2.gz LJLUPNADUIGGKO-UHFFFAOYSA-N -2 0 382.825 3.106 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c(OC)cc1Cl ZINC000327799970 565633762 /nfs/dbraw/zinc/63/37/62/565633762.db2.gz CWORMDBDGVAUQI-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000410363467 565679518 /nfs/dbraw/zinc/67/95/18/565679518.db2.gz JAQKQYJKVPZIMB-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)cc1C(=O)[O-] ZINC000195198533 565865340 /nfs/dbraw/zinc/86/53/40/565865340.db2.gz HPXBCEYDFJOAQF-UHFFFAOYSA-N -2 0 377.447 3.011 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccc(Br)s2)ccc1C(=O)[O-] ZINC000227177932 565921769 /nfs/dbraw/zinc/92/17/69/565921769.db2.gz JOXYACFQWQVLIL-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ncsc2C(C)C)cc1C(=O)[O-] ZINC000288192355 566061939 /nfs/dbraw/zinc/06/19/39/566061939.db2.gz JZHDMTPBUJBFFE-UHFFFAOYSA-N -2 0 390.870 3.428 20 0 GGADRL CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000288251537 566064234 /nfs/dbraw/zinc/06/42/34/566064234.db2.gz OXJZHNUVGQESPF-UHFFFAOYSA-N -2 0 382.463 3.115 20 0 GGADRL CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000288345946 566069561 /nfs/dbraw/zinc/06/95/61/566069561.db2.gz WQINRZMACCQROS-UHFFFAOYSA-N -2 0 390.870 3.184 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(Br)c(F)c2)cs1 ZINC000180657766 566079558 /nfs/dbraw/zinc/07/95/58/566079558.db2.gz DTGWVQPJOMZBII-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2OC(F)F)ccc1Cl ZINC000509551815 566313855 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GGADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2OC)cc1C(=O)[O-] ZINC000446633731 566359971 /nfs/dbraw/zinc/35/99/71/566359971.db2.gz ZTBFQNCRVUQSOR-UHFFFAOYSA-N -2 0 381.475 3.479 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cn(-c3ccccc3)nc2C)sc1C(=O)[O-] ZINC000510081539 566363544 /nfs/dbraw/zinc/36/35/44/566363544.db2.gz ABVNSTOLDKTIIK-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000447115081 566387781 /nfs/dbraw/zinc/38/77/81/566387781.db2.gz WHEDOUIXPRRQQT-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL COc1ccnc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)cccc12 ZINC000536609557 566388794 /nfs/dbraw/zinc/38/87/94/566388794.db2.gz HCKLILFCANBSHK-UHFFFAOYSA-N -2 0 378.431 3.112 20 0 GGADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)s1 ZINC000447399098 566409221 /nfs/dbraw/zinc/40/92/21/566409221.db2.gz UWNVEXNWGFIIOX-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1OC ZINC000447776799 566428696 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COC(=O)c1sccc1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C ZINC000511278460 566450721 /nfs/dbraw/zinc/45/07/21/566450721.db2.gz DYBPZHYVIBTXAT-UHFFFAOYSA-N -2 0 383.447 3.157 20 0 GGADRL CCC[C@H](CCCC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000650418951 566454270 /nfs/dbraw/zinc/45/42/70/566454270.db2.gz ZMVIPCTVLZBXRT-SECBINFHSA-N -2 0 385.379 3.193 20 0 GGADRL CCC[C@@H](CCCC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(=O)[O-] ZINC000650418952 566454873 /nfs/dbraw/zinc/45/48/73/566454873.db2.gz ZMVIPCTVLZBXRT-VIFPVBQESA-N -2 0 385.379 3.193 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O ZINC000511347168 566456771 /nfs/dbraw/zinc/45/67/71/566456771.db2.gz WQECXPRLNXBNLU-UHFFFAOYSA-N -2 0 392.216 3.207 20 0 GGADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000484946295 566465342 /nfs/dbraw/zinc/46/53/42/566465342.db2.gz MUHKOXCOLILACD-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000484959644 566466198 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Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)c1Cl ZINC000538295531 566505026 /nfs/dbraw/zinc/50/50/26/566505026.db2.gz BWXJGPRVNCFYMZ-UHFFFAOYSA-N -2 0 381.837 3.497 20 0 GGADRL CC(C)(CCNC(=O)N=c1[n-]nc(-c2c(F)cccc2Cl)s1)C(=O)[O-] ZINC000424390825 566532091 /nfs/dbraw/zinc/53/20/91/566532091.db2.gz OTWBXZZYGHCMBO-UHFFFAOYSA-N -2 0 386.836 3.042 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)c(OC(F)(F)F)c1 ZINC000486098654 566557824 /nfs/dbraw/zinc/55/78/24/566557824.db2.gz VIQLDMSYCCRHMT-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000466264019 566561276 /nfs/dbraw/zinc/56/12/76/566561276.db2.gz CCHWVMMSRVCEHE-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)n[nH]2)s1 ZINC000466292351 566562960 /nfs/dbraw/zinc/56/29/60/566562960.db2.gz ZNISUKNYKQLNLY-UHFFFAOYSA-N -2 0 377.447 3.254 20 0 GGADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl)OCO2 ZINC000673898928 566565570 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GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2cncnc2)cc1 ZINC000605119057 566596646 /nfs/dbraw/zinc/59/66/46/566596646.db2.gz VSTSIBPPCVOPHL-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL CC(C)c1nc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c[nH]1 ZINC000674714095 566604016 /nfs/dbraw/zinc/60/40/16/566604016.db2.gz GXAQEGOCZSZNRJ-UHFFFAOYSA-N -2 0 378.237 3.339 20 0 GGADRL CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc(Br)sc1Cl ZINC000560481436 566630462 /nfs/dbraw/zinc/63/04/62/566630462.db2.gz NJASBRDUCWSMEV-LURJTMIESA-N -2 0 390.708 3.086 20 0 GGADRL CCOC1(CS(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2[O-])CCOCC1 ZINC000629294735 566637389 /nfs/dbraw/zinc/63/73/89/566637389.db2.gz ARKNLKKJDJSDHI-UHFFFAOYSA-N -2 0 384.281 3.026 20 0 GGADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1OC ZINC000467323284 566642268 /nfs/dbraw/zinc/64/22/68/566642268.db2.gz FUSWQRICYKNUSS-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL CC[C@H](CCc1ccccc1)NS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000629334344 566646232 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O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)o1 ZINC000740187501 599738207 /nfs/dbraw/zinc/73/82/07/599738207.db2.gz OLHUFBXMIWJRMW-UHFFFAOYSA-N -2 0 378.337 3.105 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)o1 ZINC000740177950 599740389 /nfs/dbraw/zinc/74/03/89/599740389.db2.gz XKBFEUVUUQCNNS-UHFFFAOYSA-N -2 0 392.414 3.092 20 0 GGADRL O=C([O-])c1cccc(Cc2cnc(NC(=O)c3cc4c(cc3O)OCO4)s2)c1 ZINC000740229168 599741624 /nfs/dbraw/zinc/74/16/24/599741624.db2.gz ZNDZQZPQIFILBW-UHFFFAOYSA-N -2 0 398.396 3.119 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2F)c(OCC(F)(F)F)c1 ZINC000740155863 599802153 /nfs/dbraw/zinc/80/21/53/599802153.db2.gz YZQURFUYANVJCR-UHFFFAOYSA-N -2 0 393.314 3.266 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ncc(Cc3ccccc3Cl)s2)o1 ZINC000740186333 599802909 /nfs/dbraw/zinc/80/29/09/599802909.db2.gz JZGYNOTZQDVHHJ-UHFFFAOYSA-N -2 0 398.849 3.479 20 0 GGADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3ccccc32)c(C(=O)[O-])s1 ZINC000737680232 599813688 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20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000057819653 599851534 /nfs/dbraw/zinc/85/15/34/599851534.db2.gz YYVOJNWZMZTZJO-UHFFFAOYSA-N -2 0 386.360 3.044 20 0 GGADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000517897114 599851954 /nfs/dbraw/zinc/85/19/54/599851954.db2.gz OJYBBUCMQCZGBZ-UHFFFAOYSA-N -2 0 381.381 3.146 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccnc2OCc2ccccc2)c1 ZINC000591682861 599852003 /nfs/dbraw/zinc/85/20/03/599852003.db2.gz LLDQBBAUXRMBCK-UHFFFAOYSA-N -2 0 390.442 3.221 20 0 GGADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000157855537 599852564 /nfs/dbraw/zinc/85/25/64/599852564.db2.gz ZEYPSAIEIGPSQA-UHFFFAOYSA-N -2 0 390.280 3.329 20 0 GGADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000739767133 599855589 /nfs/dbraw/zinc/85/55/89/599855589.db2.gz SCBMPNROOXMDEX-UHFFFAOYSA-N -2 0 389.351 3.403 20 0 GGADRL COC(=O)c1cc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)cc(C(=O)[O-])c1 ZINC000737659220 599858757 /nfs/dbraw/zinc/85/87/57/599858757.db2.gz HOSWWVQCEJBUFD-FQEVSTJZSA-N -2 0 391.420 3.171 20 0 GGADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000740089963 599873942 /nfs/dbraw/zinc/87/39/42/599873942.db2.gz QDJPGUAWZZKKLN-UHFFFAOYSA-N -3 0 396.229 3.252 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000323820682 599876092 /nfs/dbraw/zinc/87/60/92/599876092.db2.gz DSGPNBMRCGFJRU-UHFFFAOYSA-N -2 0 390.826 3.426 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2)sc1C(=O)[O-] ZINC000034957424 599876214 /nfs/dbraw/zinc/87/62/14/599876214.db2.gz VKNQFNTWAZHIMT-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C)O[C@H](C)C2 ZINC000477393065 599905377 /nfs/dbraw/zinc/90/53/77/599905377.db2.gz APVMYVMMYCRKNB-LLVKDONJSA-N -2 0 391.445 3.216 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1c(C(=O)[O-])cccc1C(C)C ZINC000477394209 599907166 /nfs/dbraw/zinc/90/71/66/599907166.db2.gz DNZIZWULKTUZOU-UHFFFAOYSA-N -2 0 377.418 3.316 20 0 GGADRL Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000738797969 599907552 /nfs/dbraw/zinc/90/75/52/599907552.db2.gz DVEUWTWDCORQAD-UHFFFAOYSA-N -2 0 391.474 3.109 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)n(-c2ccccc2F)n1 ZINC000738463434 599907897 /nfs/dbraw/zinc/90/78/97/599907897.db2.gz CGQFBMDLNZBJNQ-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL CC(C)Sc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736498887 599911450 /nfs/dbraw/zinc/91/14/50/599911450.db2.gz GJPJNXAWNLTNOH-UHFFFAOYSA-N -2 0 385.488 3.066 20 0 GGADRL CC[C@H](CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000736891812 599913589 /nfs/dbraw/zinc/91/35/89/599913589.db2.gz FJIVPMMOMSWGQC-SNVBAGLBSA-N -2 0 395.399 3.281 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)c1 ZINC000728514762 599926147 /nfs/dbraw/zinc/92/61/47/599926147.db2.gz VNEXCIZLZDJWDK-UHFFFAOYSA-N -2 0 390.442 3.221 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000737908410 599926626 /nfs/dbraw/zinc/92/66/26/599926626.db2.gz AZCSVHLGIVHXKE-UHFFFAOYSA-N -2 0 392.458 3.421 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000524006502 599926694 /nfs/dbraw/zinc/92/66/94/599926694.db2.gz KAFMAJDBLYDEBX-UHFFFAOYSA-N -2 0 392.458 3.421 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1OCC(F)F ZINC000738635584 599927409 /nfs/dbraw/zinc/92/74/09/599927409.db2.gz FARYILIMZHURPS-UHFFFAOYSA-N -2 0 377.390 3.199 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c1 ZINC000740235797 599965545 /nfs/dbraw/zinc/96/55/45/599965545.db2.gz PZNHKVACQXBCEW-RTBURBONSA-N -2 0 395.436 3.147 20 0 GGADRL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000738673503 599975102 /nfs/dbraw/zinc/97/51/02/599975102.db2.gz QEAWTEPIQDDPQZ-UHFFFAOYSA-N -3 0 390.200 3.191 20 0 GGADRL CCc1nc([C@@H]2NC(=O)N(c3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])cs1 ZINC000737281884 599983834 /nfs/dbraw/zinc/98/38/34/599983834.db2.gz NMGQMQGYRXFAHI-HNNXBMFYSA-N -2 0 387.417 3.033 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2cccc(OCCC(=O)[O-])c2)NC(=O)N1CCC(C)C ZINC000736751706 599983837 /nfs/dbraw/zinc/98/38/37/599983837.db2.gz RLYQMGGODQHUDV-SFHVURJKSA-N -2 0 390.436 3.011 20 0 GGADRL CCC1=C(C(=O)[O-])[C@@H](c2cc(F)ccc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932465 599988102 /nfs/dbraw/zinc/98/81/02/599988102.db2.gz RNQFGWMIONTKOA-QGZVFWFLSA-N -2 0 396.390 3.425 20 0 GGADRL COc1ccc([C@@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc1C ZINC000737985914 599988484 /nfs/dbraw/zinc/98/84/84/599988484.db2.gz HZSKUIJWCXLBES-SFHVURJKSA-N -2 0 390.436 3.074 20 0 GGADRL CSc1ccc([C@@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc1 ZINC000738213731 599989474 /nfs/dbraw/zinc/98/94/74/599989474.db2.gz OWPOEKXTWVQXKU-KRWDZBQOSA-N -2 0 392.477 3.478 20 0 GGADRL Cc1ccccc1[C@@H]1NC(=O)N(Cc2ccc(C(=O)[O-])cc2)C(C)=C1C(=O)[O-] ZINC000736751823 599992612 /nfs/dbraw/zinc/99/26/12/599992612.db2.gz SXRVQWFUOATURD-SFHVURJKSA-N -2 0 380.400 3.318 20 0 GGADRL Cc1cccc([C@@H]2NC(=O)N(Cc3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])c1 ZINC000736750250 599992620 /nfs/dbraw/zinc/99/26/20/599992620.db2.gz INTCJCMNBIJZBT-SFHVURJKSA-N -2 0 380.400 3.318 20 0 GGADRL Cc1ccsc1[C@@H]1NC(=O)N(Cc2ccc(C(=O)[O-])cc2)C(C)=C1C(=O)[O-] ZINC000736745593 599992864 /nfs/dbraw/zinc/99/28/64/599992864.db2.gz DTROITCPZYTJKP-OAHLLOKOSA-N -2 0 386.429 3.380 20 0 GGADRL COc1ccc([C@H]2NC(=O)N(Cc3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])cc1 ZINC000737987655 599993199 /nfs/dbraw/zinc/99/31/99/599993199.db2.gz XCWAOPRBMWESPY-GOSISDBHSA-N -2 0 396.399 3.019 20 0 GGADRL COc1cccc([C@@H]2NC(=O)N(Cc3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])c1 ZINC000738095155 599993284 /nfs/dbraw/zinc/99/32/84/599993284.db2.gz FJXTUNDHRCGCBR-SFHVURJKSA-N -2 0 396.399 3.019 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(F)ccc2N2CCCCC2)c1 ZINC000740271597 599996152 /nfs/dbraw/zinc/99/61/52/599996152.db2.gz MSKDRAMSWBXULL-UHFFFAOYSA-N -2 0 384.454 3.377 20 0 GGADRL COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1 ZINC000511716527 600006081 /nfs/dbraw/zinc/00/60/81/600006081.db2.gz UNLQGBXWTQBOSX-UHFFFAOYSA-N -2 0 393.417 3.016 20 0 GGADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000548573259 600006374 /nfs/dbraw/zinc/00/63/74/600006374.db2.gz GEFVAONPVPRIFL-UHFFFAOYSA-N -2 0 393.314 3.352 20 0 GGADRL CC(C)(c1n[n-]c(=NC(=O)NCCCCCC(=O)[O-])s1)c1ccccc1 ZINC000417746214 600016927 /nfs/dbraw/zinc/01/69/27/600016927.db2.gz GCOYLXZBBKCSCB-UHFFFAOYSA-N -2 0 376.482 3.052 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CCCCCc2cccs2)s1 ZINC000739233006 600023242 /nfs/dbraw/zinc/02/32/42/600023242.db2.gz KSENMWODCHNLAW-UHFFFAOYSA-N -2 0 387.504 3.116 20 0 GGADRL O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000739628386 600032312 /nfs/dbraw/zinc/03/23/12/600032312.db2.gz ZYANCCLLGCNPEF-HNNXBMFYSA-N -2 0 375.384 3.093 20 0 GGADRL CC(C)[C@@H](Sc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000736390638 600043094 /nfs/dbraw/zinc/04/30/94/600043094.db2.gz KMWDBGZUBQZIBI-CQSZACIVSA-N -2 0 399.515 3.068 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c(OC)c1 ZINC000738041158 600051526 /nfs/dbraw/zinc/05/15/26/600051526.db2.gz XOGFTPSYKFQKEF-UHFFFAOYSA-N -2 0 393.442 3.418 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2nc3c(s2)C(=O)CC(C)(C)C3)c1C(=O)[O-] ZINC000738745985 600052088 /nfs/dbraw/zinc/05/20/88/600052088.db2.gz ALLLAGUPMNUNAA-UHFFFAOYSA-N -2 0 394.474 3.106 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3c(cc(F)c(F)c3F)s2)s1 ZINC000740187475 600052351 /nfs/dbraw/zinc/05/23/51/600052351.db2.gz NCTLUCLQUOJFKU-UHFFFAOYSA-N -2 0 394.377 3.274 20 0 GGADRL Cc1cc2sc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)nc2c(C)c1 ZINC000738357431 600052436 /nfs/dbraw/zinc/05/24/36/600052436.db2.gz IURUPFJTZCPBFZ-UHFFFAOYSA-N -2 0 392.458 3.177 20 0 GGADRL O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)n1 ZINC000738633897 600054178 /nfs/dbraw/zinc/05/41/78/600054178.db2.gz WCXLLPXZOBARTL-UHFFFAOYSA-N -2 0 388.426 3.470 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n(-c2ccccc2C)n1 ZINC000738463754 600054272 /nfs/dbraw/zinc/05/42/72/600054272.db2.gz UUIGSGJLAICQLQ-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nc(COc3ccccc3)cs2)c1 ZINC000738688116 600054622 /nfs/dbraw/zinc/05/46/22/600054622.db2.gz DTFSCIPMUZDHGV-UHFFFAOYSA-N -2 0 390.442 3.221 20 0 GGADRL Cc1ccc(C)c2sc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)nc21 ZINC000738579162 600054697 /nfs/dbraw/zinc/05/46/97/600054697.db2.gz NSCYBFJUDBRJBU-UHFFFAOYSA-N -2 0 392.458 3.177 20 0 GGADRL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000736403237 600054831 /nfs/dbraw/zinc/05/48/31/600054831.db2.gz DAMMIGCGFODWQV-AWEZNQCLSA-N -2 0 395.481 3.145 20 0 GGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])sc2C1 ZINC000736940732 600054876 /nfs/dbraw/zinc/05/48/76/600054876.db2.gz TYQITTDYTLBEKO-SNVBAGLBSA-N -2 0 384.479 3.367 20 0 GGADRL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC000738720543 600055772 /nfs/dbraw/zinc/05/57/72/600055772.db2.gz CHKRCEDGGUCCIC-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL CC(C)[C@H](CC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccccc1 ZINC000736350905 600056067 /nfs/dbraw/zinc/05/60/67/600056067.db2.gz BDJAXZYGKMGRRN-ZDUSSCGKSA-N -2 0 381.475 3.081 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc(Cc3ccccc3)cs2)s1 ZINC000740187491 600056217 /nfs/dbraw/zinc/05/62/17/600056217.db2.gz OBEGCBRDBAYVEY-UHFFFAOYSA-N -2 0 380.472 3.294 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ncc(Cc3cccc(F)c3)s2)c1 ZINC000740276973 600056258 /nfs/dbraw/zinc/05/62/58/600056258.db2.gz DOECDCGKONIDEQ-UHFFFAOYSA-N -2 0 398.462 3.434 20 0 GGADRL O=C([O-])Nc1cccc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000740033202 600056551 /nfs/dbraw/zinc/05/65/51/600056551.db2.gz GZNKZEKKNJODSN-UHFFFAOYSA-N -2 0 389.216 3.202 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnn1-c1cccc(Cl)c1 ZINC000738546137 600057154 /nfs/dbraw/zinc/05/71/54/600057154.db2.gz IBNNZTPMJLRVKT-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000737892873 600057430 /nfs/dbraw/zinc/05/74/30/600057430.db2.gz QWSUOQBWBREYCN-UHFFFAOYSA-N -2 0 393.314 3.352 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c2n[nH]cc21 ZINC000738632523 600057824 /nfs/dbraw/zinc/05/78/24/600057824.db2.gz FNIIGIBGGNEWFS-UHFFFAOYSA-N -2 0 399.350 3.389 20 0 GGADRL COc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000738136568 600057845 /nfs/dbraw/zinc/05/78/45/600057845.db2.gz MLCFRLWPZAWVKA-UHFFFAOYSA-N -2 0 375.324 3.213 20 0 GGADRL O=C([O-])CCSCc1cccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000739754014 600069413 /nfs/dbraw/zinc/06/94/13/600069413.db2.gz WXICWBJOWHKLLM-UHFFFAOYSA-N -2 0 391.474 3.072 20 0 GGADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738903689 600095098 /nfs/dbraw/zinc/09/50/98/600095098.db2.gz YHKFVUOVEXAGCO-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737910201 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COc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000506673506 600888811 /nfs/dbraw/zinc/88/88/11/600888811.db2.gz DLIPMADIZVURGJ-UHFFFAOYSA-N -2 0 387.360 3.104 20 0 GGADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737814974 600890657 /nfs/dbraw/zinc/89/06/57/600890657.db2.gz UUKRLIQLZFRVCC-UHFFFAOYSA-N -2 0 399.852 3.173 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)ccc1C(=O)[O-] ZINC000506730789 600890855 /nfs/dbraw/zinc/89/08/55/600890855.db2.gz OPHLEMOYTDAQNU-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c1 ZINC000740075817 600892711 /nfs/dbraw/zinc/89/27/11/600892711.db2.gz PGOCWYZSXOXYOE-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000740076326 600892742 /nfs/dbraw/zinc/89/27/42/600892742.db2.gz WIRAILKUZTXOPQ-UHFFFAOYSA-N -2 0 390.200 3.191 20 0 GGADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OCC(F)(F)F ZINC000738798827 600893640 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386.433 3.037 20 0 GGADRL C/C(=C/C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)C(C)(C)C ZINC000825723909 600944464 /nfs/dbraw/zinc/94/44/64/600944464.db2.gz DJLXNSKAJOFPMJ-UITAMQMPSA-N -2 0 393.383 3.201 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000830094708 600961825 /nfs/dbraw/zinc/96/18/25/600961825.db2.gz YMAGUXMUWDQBHB-UHFFFAOYSA-N -2 0 399.424 3.055 20 0 GGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)sc2C1 ZINC000829134104 600976171 /nfs/dbraw/zinc/97/61/71/600976171.db2.gz NEWRXTLUASMCQD-LLVKDONJSA-N -2 0 380.491 3.465 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)sc1Cc1ccc(C)cc1 ZINC000832934317 600976600 /nfs/dbraw/zinc/97/66/00/600976600.db2.gz NXPMTGWTBJBGMM-UHFFFAOYSA-N -2 0 391.474 3.178 20 0 GGADRL Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)s2)cc1F ZINC000832934479 600976863 /nfs/dbraw/zinc/97/68/63/600976863.db2.gz PRJAMFCWYKCWBG-UHFFFAOYSA-N -2 0 395.437 3.009 20 0 GGADRL 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O=C([O-])c1cccc(S(=O)(=O)[N-]c2c(-c3ccco3)nc3ccccn32)c1 ZINC000833335005 601770475 /nfs/dbraw/zinc/77/04/75/601770475.db2.gz YMYQNZWWIVWIRT-UHFFFAOYSA-N -2 0 383.385 3.093 20 0 GGADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1nc(CCCC(=O)[O-])cs1 ZINC000391680495 601770839 /nfs/dbraw/zinc/77/08/39/601770839.db2.gz QGORTGYLPRTXCN-UHFFFAOYSA-N -2 0 390.870 3.013 20 0 GGADRL CCCOc1ccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1 ZINC000327167293 601771126 /nfs/dbraw/zinc/77/11/26/601771126.db2.gz RQGWGWUBEUIADD-UHFFFAOYSA-N -2 0 384.479 3.140 20 0 GGADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000833230112 601771498 /nfs/dbraw/zinc/77/14/98/601771498.db2.gz YGRHITDBGGRNRB-UHFFFAOYSA-N -2 0 396.277 3.053 20 0 GGADRL O=C([O-])CCCc1csc([N-]S(=O)(=O)c2cccc(Cl)c2F)n1 ZINC000321280297 601771832 /nfs/dbraw/zinc/77/18/32/601771832.db2.gz NHGKTHGPBKWOQQ-UHFFFAOYSA-N -2 0 378.834 3.144 20 0 GGADRL C[C@H](CS(=O)(=O)[N-][C@@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F)C(=O)[O-] ZINC000827552045 601780600 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20 0 GGADRL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000727719733 601828333 /nfs/dbraw/zinc/82/83/33/601828333.db2.gz MYXCKBNZFVNSPS-UHFFFAOYSA-N -2 0 382.825 3.106 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000751214779 601829948 /nfs/dbraw/zinc/82/99/48/601829948.db2.gz DLNCTSMRBWMHFY-UHFFFAOYSA-N -2 0 383.809 3.100 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)c(F)cc1F ZINC000832903459 601831239 /nfs/dbraw/zinc/83/12/39/601831239.db2.gz FAAHSKOYNVPLAN-UHFFFAOYSA-N -2 0 393.314 3.374 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc(F)c1F ZINC000751147801 601831980 /nfs/dbraw/zinc/83/19/80/601831980.db2.gz VAYATGZXVMIWPX-UHFFFAOYSA-N -2 0 397.277 3.362 20 0 GGADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000833344749 601832986 /nfs/dbraw/zinc/83/29/86/601832986.db2.gz INJSNIIZSWQPBU-UHFFFAOYSA-N -2 0 395.849 3.358 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c(Cl)cc1F ZINC000109417811 601834099 /nfs/dbraw/zinc/83/40/99/601834099.db2.gz NETKONQQEJPXKD-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-n2cccc2)c1 ZINC000833345698 601834932 /nfs/dbraw/zinc/83/49/32/601834932.db2.gz ZILHQZPFNBFASS-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccccc1SC(F)(F)F ZINC000833346335 601836180 /nfs/dbraw/zinc/83/61/80/601836180.db2.gz NWFAQLDXLNVGSB-UHFFFAOYSA-N -2 0 384.382 3.254 20 0 GGADRL CC(C)COc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751144540 601836341 /nfs/dbraw/zinc/83/63/41/601836341.db2.gz DXHGUFHKUJFTLF-UHFFFAOYSA-N -2 0 385.388 3.499 20 0 GGADRL CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000829532665 601836683 /nfs/dbraw/zinc/83/66/83/601836683.db2.gz ZFTKYQAPJSUHES-UHFFFAOYSA-N -2 0 376.843 3.084 20 0 GGADRL CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000828765008 601837927 /nfs/dbraw/zinc/83/79/27/601837927.db2.gz SOCXOROBDRHSMR-SNVBAGLBSA-N -2 0 384.841 3.411 20 0 GGADRL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000726929334 601839341 /nfs/dbraw/zinc/83/93/41/601839341.db2.gz BJNXPFNQDQGLRS-UHFFFAOYSA-N -2 0 382.800 3.470 20 0 GGADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000827054240 601839404 /nfs/dbraw/zinc/83/94/04/601839404.db2.gz FWZFWZKVXIYCJH-UHFFFAOYSA-N -2 0 388.804 3.160 20 0 GGADRL Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832905972 601839787 /nfs/dbraw/zinc/83/97/87/601839787.db2.gz LQORXWCDVGWEKQ-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000830169645 601840645 /nfs/dbraw/zinc/84/06/45/601840645.db2.gz VBCCUSWPQIQOBE-UHFFFAOYSA-N -2 0 378.884 3.408 20 0 GGADRL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)nc3C(=O)[O-])c2)o1 ZINC000832985202 601841184 /nfs/dbraw/zinc/84/11/84/601841184.db2.gz HJJALYLRVDMXJL-UHFFFAOYSA-N -2 0 393.808 3.197 20 0 GGADRL COc1ccccc1-c1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000832583373 601841250 /nfs/dbraw/zinc/84/12/50/601841250.db2.gz SVXHKTOXCLACMV-UHFFFAOYSA-N -2 0 390.442 3.318 20 0 GGADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC000826009239 601843104 /nfs/dbraw/zinc/84/31/04/601843104.db2.gz UDJHSPURDDNAJZ-CYBMUJFWSA-N -2 0 383.425 3.147 20 0 GGADRL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000832976595 601843720 /nfs/dbraw/zinc/84/37/20/601843720.db2.gz UAYXTQXLUJDLTD-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL CCCCCc1nnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000829373040 601843790 /nfs/dbraw/zinc/84/37/90/601843790.db2.gz CRRYKZOEUHKMFB-UHFFFAOYSA-N -2 0 389.886 3.423 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC000832899364 601843960 /nfs/dbraw/zinc/84/39/60/601843960.db2.gz JGBVLVLKAJRYKE-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ncc(Cc2ccccc2)s1 ZINC000833294229 601847590 /nfs/dbraw/zinc/84/75/90/601847590.db2.gz OCWYTUQPTONSMU-UHFFFAOYSA-N -2 0 392.433 3.372 20 0 GGADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000833293799 601847934 /nfs/dbraw/zinc/84/79/34/601847934.db2.gz IYYRQFRHTZPHFJ-UHFFFAOYSA-N -2 0 385.442 3.224 20 0 GGADRL CC(C)c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n[nH]1 ZINC000827112973 601850888 /nfs/dbraw/zinc/85/08/88/601850888.db2.gz SBSKWSNKOWMADF-UHFFFAOYSA-N -2 0 377.344 3.051 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(C)n1 ZINC000832413247 601851938 /nfs/dbraw/zinc/85/19/38/601851938.db2.gz MBNUJGYXSHRTHI-UHFFFAOYSA-N -2 0 391.232 3.204 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)c1 ZINC000759680785 601853915 /nfs/dbraw/zinc/85/39/15/601853915.db2.gz RZQGDFSMHKZYKD-LBPRGKRZSA-N -2 0 397.836 3.007 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2cccc(Cl)c2F)NC(=O)N1CCCCC(=O)[O-] ZINC000828136897 601854255 /nfs/dbraw/zinc/85/42/55/601854255.db2.gz ZNCDTXSMUYICOW-HNNXBMFYSA-N -2 0 384.791 3.159 20 0 GGADRL CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1 ZINC000829413436 601854694 /nfs/dbraw/zinc/85/46/94/601854694.db2.gz PSPBUDSLKQZVFG-UHFFFAOYSA-N -2 0 395.408 3.282 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccn([C@@H](C)c3ccccc3)n2)cc1C(=O)[O-] ZINC000675284416 601854961 /nfs/dbraw/zinc/85/49/61/601854961.db2.gz BAEKRFBPNKVZTK-AWEZNQCLSA-N -2 0 385.445 3.300 20 0 GGADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000470458234 601855106 /nfs/dbraw/zinc/85/51/06/601855106.db2.gz IDIKCYZJLRNXQO-UHFFFAOYSA-N -2 0 383.397 3.122 20 0 GGADRL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000827949370 601855471 /nfs/dbraw/zinc/85/54/71/601855471.db2.gz LFAFVFMGIIFTBA-LLVKDONJSA-N -2 0 377.447 3.053 20 0 GGADRL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3cc(C)c(C(=O)[O-])s3)cc2F)c1 ZINC000832987063 601856903 /nfs/dbraw/zinc/85/69/03/601856903.db2.gz OJDIWQNGHBIHNY-UHFFFAOYSA-N -2 0 395.437 3.189 20 0 GGADRL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1C(=O)[O-] ZINC000831226483 601861032 /nfs/dbraw/zinc/86/10/32/601861032.db2.gz MTDORYAWRZCHIH-UHFFFAOYSA-N -2 0 395.408 3.235 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)c[nH]1 ZINC000466286008 601864434 /nfs/dbraw/zinc/86/44/34/601864434.db2.gz FAYDDKORJGBBQS-UHFFFAOYSA-N -2 0 397.412 3.246 20 0 GGADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000832935083 601881765 /nfs/dbraw/zinc/88/17/65/601881765.db2.gz WNMFEPVMWCYARB-WEVVVXLNSA-N -2 0 395.820 3.245 20 0 GGADRL CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830879258 601901399 /nfs/dbraw/zinc/90/13/99/601901399.db2.gz ARSYPKTUHUBZJA-CYBMUJFWSA-N -2 0 383.351 3.072 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)nn1C ZINC000832852825 601964211 /nfs/dbraw/zinc/96/42/11/601964211.db2.gz LSZVHHQYTPVHCV-UHFFFAOYSA-N -2 0 377.466 3.275 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)nn2C)cc1C(=O)[O-] ZINC000832955773 601964307 /nfs/dbraw/zinc/96/43/07/601964307.db2.gz CPQQLTWFTJJIKO-UHFFFAOYSA-N -2 0 377.466 3.275 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)nn2C)c1C(=O)[O-] ZINC000832972917 601964478 /nfs/dbraw/zinc/96/44/78/601964478.db2.gz PXSBTIGTHBPQHD-UHFFFAOYSA-N -2 0 377.466 3.275 20 0 GGADRL Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000833060252 601964894 /nfs/dbraw/zinc/96/48/94/601964894.db2.gz ZIZPGECIGJHVJH-UHFFFAOYSA-N -2 0 381.429 3.106 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000832853330 601984877 /nfs/dbraw/zinc/98/48/77/601984877.db2.gz WFQVJIVLHYAXCJ-UHFFFAOYSA-N -2 0 385.397 3.345 20 0 GGADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000829207770 602036835 /nfs/dbraw/zinc/03/68/35/602036835.db2.gz FCDJINYPYYYFFD-SECBINFHSA-N -2 0 396.387 3.291 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)[nH]n2)cc1C(=O)[O-] ZINC000832468955 602103093 /nfs/dbraw/zinc/10/30/93/602103093.db2.gz VZPNAUOKVAPWMG-UHFFFAOYSA-N -2 0 393.465 3.040 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(CC2CCCCC2)[nH]n1 ZINC000831946756 602103196 /nfs/dbraw/zinc/10/31/96/602103196.db2.gz YFMFGTGMUVZUDC-UHFFFAOYSA-N -2 0 399.494 3.102 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)[nH]n2)c1C(=O)[O-] ZINC000832973050 602103880 /nfs/dbraw/zinc/10/38/80/602103880.db2.gz UWIGIKRCQALBCW-UHFFFAOYSA-N -2 0 377.466 3.340 20 0 GGADRL O=C([O-])CCCc1nnc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000833232018 602105942 /nfs/dbraw/zinc/10/59/42/602105942.db2.gz IOUOAXNNKGDHSA-UHFFFAOYSA-N -2 0 396.277 3.053 20 0 GGADRL COc1ccsc1S(=O)(=O)[N-]c1cccc(CSCCC(=O)[O-])c1 ZINC000832643224 602113201 /nfs/dbraw/zinc/11/32/01/602113201.db2.gz WHNHEMXQHHFBDR-UHFFFAOYSA-N -2 0 387.504 3.265 20 0 GGADRL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000829381405 602115236 /nfs/dbraw/zinc/11/52/36/602115236.db2.gz SGSNGJRAODVOCB-UHFFFAOYSA-N -2 0 396.490 3.119 20 0 GGADRL COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000832153222 602117785 /nfs/dbraw/zinc/11/77/85/602117785.db2.gz XEKVHDUVDHRIIO-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c1 ZINC000833343586 602118455 /nfs/dbraw/zinc/11/84/55/602118455.db2.gz IVRSJQJBVSRIFH-UHFFFAOYSA-N -3 0 396.229 3.252 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(-c2cccc(F)c2F)[nH]n1 ZINC000477399664 602119290 /nfs/dbraw/zinc/11/92/90/602119290.db2.gz CMWMPDZKCPWETL-UHFFFAOYSA-N -2 0 393.371 3.162 20 0 GGADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c2ccccc12 ZINC000833259466 602124535 /nfs/dbraw/zinc/12/45/35/602124535.db2.gz PXNJAJFIBOEHAQ-UHFFFAOYSA-N -2 0 393.367 3.382 20 0 GGADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccccc2F)c2ccccc12 ZINC000833259073 602124566 /nfs/dbraw/zinc/12/45/66/602124566.db2.gz HKUPSWNDRRHATK-UHFFFAOYSA-N -2 0 375.377 3.243 20 0 GGADRL O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833322409 602143532 /nfs/dbraw/zinc/14/35/32/602143532.db2.gz NWDGEHLPPKJCEQ-UHFFFAOYSA-N -2 0 392.367 3.309 20 0 GGADRL O=C([O-])c1nscc1[N-]S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000833347310 602156596 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GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c1C(=O)[O-] ZINC000832953033 602203268 /nfs/dbraw/zinc/20/32/68/602203268.db2.gz YZPRHYODASHNSM-UHFFFAOYSA-N -2 0 376.390 3.359 20 0 GGADRL O=C([O-])COc1ccc(NC(=O)c2cc(=O)c3ccccc3[n-]2)c2ccccc12 ZINC000833258513 602264551 /nfs/dbraw/zinc/26/45/51/602264551.db2.gz OZFCCTWZRIMNTF-UHFFFAOYSA-N -2 0 388.379 3.397 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)cc1C(=O)[O-] ZINC000832956511 602306740 /nfs/dbraw/zinc/30/67/40/602306740.db2.gz JGOVKACNJKGZFW-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(CCc2ccccc2)[nH]n1 ZINC000832919384 602306779 /nfs/dbraw/zinc/30/67/79/602306779.db2.gz HJQIGPVPNTVPAD-UHFFFAOYSA-N -2 0 385.445 3.002 20 0 GGADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)c1 ZINC000833297431 602307273 /nfs/dbraw/zinc/30/72/73/602307273.db2.gz NUGOGTDGVNDFFM-UHFFFAOYSA-N -2 0 395.849 3.358 20 0 GGADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(C2CCCCCC2)[nH]n1 ZINC000833294936 602308389 /nfs/dbraw/zinc/30/83/89/602308389.db2.gz NOGNABSECKGNOB-UHFFFAOYSA-N -2 0 381.429 3.486 20 0 GGADRL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000759170948 602309403 /nfs/dbraw/zinc/30/94/03/602309403.db2.gz BZMUNYNGPBCQSA-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1 ZINC000825951987 602317607 /nfs/dbraw/zinc/31/76/07/602317607.db2.gz VBCKXCPQKPOBGE-UHFFFAOYSA-N -2 0 381.837 3.361 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2OCC(F)F)c1 ZINC000761908613 602320120 /nfs/dbraw/zinc/32/01/20/602320120.db2.gz RSNHGWUHSBYIHS-UHFFFAOYSA-N -2 0 391.779 3.483 20 0 GGADRL O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000833226643 604351186 /nfs/dbraw/zinc/35/11/86/604351186.db2.gz OINBZDMZHKFAMR-UHFFFAOYSA-N -2 0 397.456 3.131 20 0 GGADRL O=C([O-])CCCN(Cc1ccccc1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000833226922 604353456 /nfs/dbraw/zinc/35/34/56/604353456.db2.gz SUTMJUZQUGXSMV-UHFFFAOYSA-N -2 0 379.416 3.085 20 0 GGADRL Cc1ccc(-n2[n-]c(C(=O)N[C@@H](c3ccccc3)C(C)(C)C(=O)[O-])cc2=O)cc1 ZINC000832910302 604380317 /nfs/dbraw/zinc/38/03/17/604380317.db2.gz YDYUFEIXWQXRHN-IBGZPJMESA-N -2 0 393.443 3.056 20 0 GGADRL Cc1ccc(-c2nnc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)s2)c(C)c1 ZINC000832907495 604402654 /nfs/dbraw/zinc/40/26/54/604402654.db2.gz ABIXIDYWUNTUGA-UHFFFAOYSA-N -2 0 389.458 3.321 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)cc1C(=O)[O-] ZINC000832874697 604402767 /nfs/dbraw/zinc/40/27/67/604402767.db2.gz LHEOPQURQLACHE-UHFFFAOYSA-N -2 0 393.446 3.222 20 0 GGADRL CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)c2)n1 ZINC000365858525 604503033 /nfs/dbraw/zinc/50/30/33/604503033.db2.gz COQDGVFJAFPVEZ-UHFFFAOYSA-N -2 0 391.405 3.008 20 0 GGADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc1 ZINC000833774708 604505499 /nfs/dbraw/zinc/50/54/99/604505499.db2.gz CIGRBCKHXSLPEK-UHFFFAOYSA-N -2 0 398.440 3.403 20 0 GGADRL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(F)cc(Cl)c2[O-])c(OC)c1 ZINC000833732611 604570245 /nfs/dbraw/zinc/57/02/45/604570245.db2.gz VXCJBDGMTLTJFW-CQSZACIVSA-N -2 0 397.786 3.148 20 0 GGADRL C/C(=C/c1ccccc1Cl)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833386337 604608429 /nfs/dbraw/zinc/60/84/29/604608429.db2.gz NOONNYFLPFAHJD-BENRWUELSA-N -2 0 393.848 3.088 20 0 GGADRL Cc1cc(Br)cnc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000321676083 604620976 /nfs/dbraw/zinc/62/09/76/604620976.db2.gz ISTIIIPICHNPES-DAXSKMNVSA-N -2 0 397.250 3.051 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)ccc1OC(C)C ZINC000832904393 604623161 /nfs/dbraw/zinc/62/31/61/604623161.db2.gz KXZGUSJWLXBUBY-UHFFFAOYSA-N -2 0 384.479 3.057 20 0 GGADRL Cc1[n-]n(Cc2ccccc2Cl)c(=O)c1C(=O)Nc1ccccc1C(=O)[O-] ZINC000833584129 604623943 /nfs/dbraw/zinc/62/39/43/604623943.db2.gz NSOCRZOLKXDHJB-INIZCTEOSA-N -2 0 385.807 3.011 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c(Cl)cc1F ZINC000832904275 604624963 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LKUXTBPRGQZCKS-AWEZNQCLSA-N -2 0 397.474 3.113 20 0 GGADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC000055685420 1407055779 /nfs/dbraw/zinc/05/57/79/1407055779.db2.gz BIJCZJYFLLMATL-UHFFFAOYSA-N -2 0 377.418 3.080 20 0 GGADRL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000042793648 1400416523 /nfs/dbraw/zinc/41/65/23/1400416523.db2.gz AHAXVICQCOQPKR-UHFFFAOYSA-N -2 0 384.435 3.124 20 0 GGADRL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000042794171 1400417032 /nfs/dbraw/zinc/41/70/32/1400417032.db2.gz SLKLDKYMNRCKCH-UHFFFAOYSA-N -2 0 382.825 3.188 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c1 ZINC000042793714 1400417127 /nfs/dbraw/zinc/41/71/27/1400417127.db2.gz CZQYYXBARHGQNC-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000042794515 1400417349 /nfs/dbraw/zinc/41/73/49/1400417349.db2.gz DFMFUCYNDVVNKR-UHFFFAOYSA-N -2 0 383.429 3.205 20 0 GGADRL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C ZINC000044259708 1403910306 /nfs/dbraw/zinc/91/03/06/1403910306.db2.gz IKQQAOSRBCBRDG-UHFFFAOYSA-N -2 0 382.825 3.106 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000045774673 1404200562 /nfs/dbraw/zinc/20/05/62/1404200562.db2.gz CDKQMTAAYDGKLB-UHFFFAOYSA-N -2 0 376.799 3.117 20 0 GGADRL CC(C)(C)c1nsc([N-]C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000735654233 1426168632 /nfs/dbraw/zinc/16/86/32/1426168632.db2.gz CABVCYLRXRCLDI-UHFFFAOYSA-N -2 0 398.496 3.212 20 0 GGADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)c(C)c1 ZINC000050531360 1405594589 /nfs/dbraw/zinc/59/45/89/1405594589.db2.gz IQHDTCBJHRHTBU-UHFFFAOYSA-N -2 0 395.458 3.003 20 0 GGADRL CSc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000821983320 1428233535 /nfs/dbraw/zinc/23/35/35/1428233535.db2.gz GEMMHNMLOGJERL-UHFFFAOYSA-N -2 0 399.860 3.182 20 0 GGADRL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]c1nnc(C=Cc2ccco2)s1 ZINC000826401890 1428246965 /nfs/dbraw/zinc/24/69/65/1428246965.db2.gz IZSDZFXPAZVKQE-FIFLTTCUSA-N -2 0 391.416 3.134 20 0 GGADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000057120958 1407524728 /nfs/dbraw/zinc/52/47/28/1407524728.db2.gz OOGCBIXOSSRIAQ-UHFFFAOYSA-N -2 0 399.852 3.254 20 0 GGADRL CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000057121248 1407524927 /nfs/dbraw/zinc/52/49/27/1407524927.db2.gz LKUVIXYQZCGFFP-NSHDSACASA-N -2 0 396.490 3.084 20 0 GGADRL CCOC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000057122423 1407525452 /nfs/dbraw/zinc/52/54/52/1407525452.db2.gz VCTBSEGEUMHYIU-UHFFFAOYSA-N -2 0 398.462 3.148 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)cc1C(=O)[O-] ZINC000057122582 1407526336 /nfs/dbraw/zinc/52/63/36/1407526336.db2.gz ZTHNTTPMYSQOJE-UHFFFAOYSA-N -2 0 388.445 3.461 20 0 GGADRL C[C@H](Oc1cccc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)c1)C(=O)[O-] ZINC000058465140 1407832811 /nfs/dbraw/zinc/83/28/11/1407832811.db2.gz ZTGZYGODNBYWCA-KYXFNPKGSA-N -2 0 384.384 3.287 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)cc(Cl)c1Cl ZINC000058494263 1407837028 /nfs/dbraw/zinc/83/70/28/1407837028.db2.gz JMQUBDCTEBOYJS-UHFFFAOYSA-N -2 0 386.216 3.369 20 0 GGADRL C[C@H](Oc1cccc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)c1)C(=O)[O-] ZINC000062692660 1408290850 /nfs/dbraw/zinc/29/08/50/1408290850.db2.gz VVZMUMYCDAPFQY-RNVIBTMRSA-N -2 0 384.384 3.288 20 0 GGADRL CCN(c1ccc2ccccc2c1)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000065070149 1408641601 /nfs/dbraw/zinc/64/16/01/1408641601.db2.gz ZBHZNHKTZUNOTI-UHFFFAOYSA-N -2 0 399.424 3.451 20 0 GGADRL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c1 ZINC000066813774 1408920143 /nfs/dbraw/zinc/92/01/43/1408920143.db2.gz UEPBLYKBBJXHDA-UHFFFAOYSA-N -2 0 386.216 3.369 20 0 GGADRL CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(C)c1 ZINC000070776226 1409773619 /nfs/dbraw/zinc/77/36/19/1409773619.db2.gz OSIIDEGUOZEPDA-LLVKDONJSA-N -2 0 396.490 3.084 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1-n1cccn1 ZINC000071946532 1409832559 /nfs/dbraw/zinc/83/25/59/1409832559.db2.gz IKRVEZBINGVEPA-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000078789969 1409936602 /nfs/dbraw/zinc/93/66/02/1409936602.db2.gz LBRBZKRZJCDNNI-UHFFFAOYSA-N -2 0 397.456 3.168 20 0 GGADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000078938684 1409945816 /nfs/dbraw/zinc/94/58/16/1409945816.db2.gz VLFBMIXTOLLTNS-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(F)cc(N3CCCC3)c2)c1 ZINC000078953809 1409946075 /nfs/dbraw/zinc/94/60/75/1409946075.db2.gz FJGXOTRUVSHQST-UHFFFAOYSA-N -2 0 382.388 3.064 20 0 GGADRL Cc1cc(C(=O)Nc2ccc(CCC(F)(F)F)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000177435097 1428736161 /nfs/dbraw/zinc/73/61/61/1428736161.db2.gz IGLFIHWHYXQFTD-UHFFFAOYSA-N -2 0 392.337 3.079 20 0 GGADRL C[C@H](NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820313999 1428866705 /nfs/dbraw/zinc/86/67/05/1428866705.db2.gz GLFDOZWRIWGOIG-RBZFPXEDSA-N -2 0 385.468 3.105 20 0 GGADRL C[C@@H](C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)c1cccnc1 ZINC000819877562 1428961111 /nfs/dbraw/zinc/96/11/11/1428961111.db2.gz YINMFXJNLFAMQH-LLVKDONJSA-N -2 0 377.433 3.127 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccn(-c2ccccc2Cl)n1 ZINC000130398453 1416371180 /nfs/dbraw/zinc/37/11/80/1416371180.db2.gz GBOIKBUGNVZCSY-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)c1 ZINC000130411511 1416373509 /nfs/dbraw/zinc/37/35/09/1416373509.db2.gz WROPWLSMOUEOHX-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1 ZINC000132740961 1416810137 /nfs/dbraw/zinc/81/01/37/1416810137.db2.gz UOZGLFWNWLNVDY-UHFFFAOYSA-N -2 0 378.793 3.494 20 0 GGADRL Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(CCC(=O)[O-])cc3)c2C)o1 ZINC000135409630 1417216603 /nfs/dbraw/zinc/21/66/03/1417216603.db2.gz UZHRRXLPPSXMMP-UHFFFAOYSA-N -2 0 389.433 3.105 20 0 GGADRL Cc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151474228 1417989205 /nfs/dbraw/zinc/98/92/05/1417989205.db2.gz YORMENYWMKFBAT-UHFFFAOYSA-N -2 0 398.728 3.257 20 0 GGADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000155522658 1423398487 /nfs/dbraw/zinc/39/84/87/1423398487.db2.gz ZISHOWIBULWUMQ-UHFFFAOYSA-N -2 0 393.223 3.462 20 0 GGADRL Cc1csc(-c2cccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)c2)n1 ZINC000155649140 1423467242 /nfs/dbraw/zinc/46/72/42/1423467242.db2.gz RONIZGNOLUUCEV-UHFFFAOYSA-N -2 0 393.428 3.016 20 0 GGADRL O=S(=O)([N-]c1ccc2ccccc2c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823588825 1423605399 /nfs/dbraw/zinc/60/53/99/1423605399.db2.gz CCBQBBMFMNWIJX-UHFFFAOYSA-N -2 0 387.371 3.099 20 0 GGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1C(=O)[O-] ZINC000156299874 1423765426 /nfs/dbraw/zinc/76/54/26/1423765426.db2.gz ZYDDZTQVTLAFPU-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c1Cl ZINC000156310931 1423772094 /nfs/dbraw/zinc/77/20/94/1423772094.db2.gz QFQCCLOGRBDAMG-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)[O-] ZINC000156530534 1423823716 /nfs/dbraw/zinc/82/37/16/1423823716.db2.gz CMQYHPKIFARILQ-QZTJIDSGSA-N -2 0 395.411 3.043 20 0 GGADRL C[C@H](NC(=O)[N-]c1nc(-c2ccccc2)ns1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380595 1424108535 /nfs/dbraw/zinc/10/85/35/1424108535.db2.gz XDAJPCFBRAPLAV-NSHDSACASA-N -2 0 392.448 3.268 20 0 GGADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1 ZINC000160060466 1424569520 /nfs/dbraw/zinc/56/95/20/1424569520.db2.gz SIVMYGWKEOJIPF-UHFFFAOYSA-N -2 0 380.328 3.119 20 0 GGADRL CC(C)n1cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)ccc2n1 ZINC000160193184 1424586146 /nfs/dbraw/zinc/58/61/46/1424586146.db2.gz PIIYALODRTWNOV-UHFFFAOYSA-N -2 0 395.387 3.394 20 0 GGADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1 ZINC000160262971 1424591456 /nfs/dbraw/zinc/59/14/56/1424591456.db2.gz NVSIMQZYJFROAS-UHFFFAOYSA-N -2 0 394.355 3.482 20 0 GGADRL Cc1coc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)c2)n1 ZINC000160280215 1424592150 /nfs/dbraw/zinc/59/21/50/1424592150.db2.gz TWCXWIZFUYULSL-UHFFFAOYSA-N -2 0 394.355 3.427 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cc1-c1ncco1 ZINC000160296542 1424592679 /nfs/dbraw/zinc/59/26/79/1424592679.db2.gz RLHJZIWOFGHVGP-UHFFFAOYSA-N -2 0 394.355 3.427 20 0 GGADRL C[C@H](NC(=O)[N-]c1nncs1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824507427 1425018507 /nfs/dbraw/zinc/01/85/07/1425018507.db2.gz XIAKSAVROHHCIT-NSHDSACASA-N -2 0 392.448 3.268 20 0 GGADRL CCC(CC)c1nnc([N-]C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000736351081 1425117781 /nfs/dbraw/zinc/11/77/81/1425117781.db2.gz QFBNMMMMERFENC-UHFFFAOYSA-N -2 0 390.448 3.083 20 0 GGADRL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000824334243 1425173641 /nfs/dbraw/zinc/17/36/41/1425173641.db2.gz SVCBOLBFQQVBLF-UHFFFAOYSA-N -2 0 393.856 3.108 20 0 GGADRL Cc1cscc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826321494 1425431257 /nfs/dbraw/zinc/43/12/57/1425431257.db2.gz GQNYTBLRIATLPF-UHFFFAOYSA-N -2 0 389.384 3.056 20 0 GGADRL O=S(=O)([N-]c1ncc(-c2nn[n-]n2)s1)c1ccc2oc3ccccc3c2c1 ZINC000823589161 1425610941 /nfs/dbraw/zinc/61/09/41/1425610941.db2.gz QOKAUHMZWZNXAU-UHFFFAOYSA-N -2 0 398.429 3.023 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000736691770 1425732861 /nfs/dbraw/zinc/73/28/61/1425732861.db2.gz RASZCSRTPOAFJO-UHFFFAOYSA-N -2 0 397.382 3.249 20 0 GGADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c1Cl ZINC000826288991 1426127696 /nfs/dbraw/zinc/12/76/96/1426127696.db2.gz FWVZDNMUIVXDLZ-UHFFFAOYSA-N -2 0 384.248 3.283 20 0 GGADRL CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735665581 1426154247 /nfs/dbraw/zinc/15/42/47/1426154247.db2.gz ZSUKGFSBFRRVGZ-UHFFFAOYSA-N -2 0 395.419 3.489 20 0 GGADRL O=S(=O)([N-]c1cc(Cl)ccc1-c1nn[n-]n1)c1cccc2ccccc21 ZINC000826492477 1426568594 /nfs/dbraw/zinc/56/85/94/1426568594.db2.gz MVTAMJDNBJRFGU-UHFFFAOYSA-N -2 0 385.836 3.474 20 0 GGADRL O=S(=O)([N-]c1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493120 1426839640 /nfs/dbraw/zinc/83/96/40/1426839640.db2.gz USNNVUHNEWVFLQ-UHFFFAOYSA-N -2 0 385.836 3.474 20 0 GGADRL O=C(Nc1nc(C(F)(F)F)cs1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826459866 1427002759 /nfs/dbraw/zinc/00/27/59/1427002759.db2.gz CHHSQSCAJUYENX-UHFFFAOYSA-N -2 0 395.370 3.153 20 0 GGADRL O=C(CSc1ccc(-c2nnn[n-]2)cc1)[N-]c1nc(-c2ccccc2)ns1 ZINC000737946402 1427296134 /nfs/dbraw/zinc/29/61/34/1427296134.db2.gz DZQLUVWJEUDQTN-UHFFFAOYSA-N -2 0 395.473 3.116 20 0 GGADRL CCCSc1nsc([N-]C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000821138889 1427486541 /nfs/dbraw/zinc/48/65/41/1427486541.db2.gz JITXBPMEDIQQDE-VIFPVBQESA-N -2 0 390.498 3.103 20 0 GGADRL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)ccc1Cl ZINC000826492541 1427727555 /nfs/dbraw/zinc/72/75/55/1427727555.db2.gz PUIYZALBBUJDKP-UHFFFAOYSA-N -2 0 388.211 3.113 20 0 GGADRL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000737804153 1427793443 /nfs/dbraw/zinc/79/34/43/1427793443.db2.gz YMEORQOZVJFGNR-JXMROGBWSA-N -2 0 393.407 3.176 20 0 GGADRL Cc1ccc(Cc2nnc(NC(=O)c3ccc(-c4nnn[n-]4)cc3C)s2)cc1 ZINC000826288839 1427883787 /nfs/dbraw/zinc/88/37/87/1427883787.db2.gz YRDJPNIWLNRDSU-UHFFFAOYSA-N -2 0 391.460 3.178 20 0 GGADRL Cc1nnc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)s1 ZINC000826336415 1427978968 /nfs/dbraw/zinc/97/89/68/1427978968.db2.gz XJIMTWYILOLBKC-UHFFFAOYSA-N -2 0 379.405 3.071 20 0 GGADRL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000738341066 1429845021 /nfs/dbraw/zinc/84/50/21/1429845021.db2.gz DKLAFZWDADQKIE-UHFFFAOYSA-N -2 0 388.211 3.113 20 0 GGADRL O=C([O-])C1(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCCC1 ZINC000822934888 1430169252 /nfs/dbraw/zinc/16/92/52/1430169252.db2.gz DWQQKIGBJCUAED-UHFFFAOYSA-N -2 0 397.357 3.249 20 0 GGADRL CCc1ccc(S(=O)(=O)[N-]c2cnc(Br)c(C)c2)cc1C(=O)[O-] ZINC000181177514 1430239270 /nfs/dbraw/zinc/23/92/70/1430239270.db2.gz XJWXKCZMAYYUHF-UHFFFAOYSA-N -2 0 399.266 3.214 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c(C)c1CC(=O)[O-] ZINC000181239985 1430254855 /nfs/dbraw/zinc/25/48/55/1430254855.db2.gz WOHZLZWMILEBGA-UHFFFAOYSA-N -2 0 399.472 3.225 20 0 GGADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000181772809 1430356654 /nfs/dbraw/zinc/35/66/54/1430356654.db2.gz YQGPUMZIDVOPBP-SNVBAGLBSA-N -2 0 380.372 3.215 20 0 GGADRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c([N+](=O)[O-])c1 ZINC000184534197 1430899715 /nfs/dbraw/zinc/89/97/15/1430899715.db2.gz CUFCSKZFAQEPPR-UHFFFAOYSA-N -2 0 388.188 3.280 20 0 GGADRL Cc1cc(Cl)ccc1NC(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000186421570 1431412753 /nfs/dbraw/zinc/41/27/53/1431412753.db2.gz KKNKZRFCFPDUNJ-UHFFFAOYSA-N -2 0 385.811 3.006 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)c(C)c1CC(=O)[O-] ZINC000187737800 1431806122 /nfs/dbraw/zinc/80/61/22/1431806122.db2.gz JIHNMSSHPPXDHD-CQSZACIVSA-N -2 0 391.493 3.207 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1cccc(C)c1 ZINC000189460131 1432119618 /nfs/dbraw/zinc/11/96/18/1432119618.db2.gz GDLONMGOQOZLMM-UHFFFAOYSA-N -2 0 391.474 3.304 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1C(C)C ZINC000192154299 1432808753 /nfs/dbraw/zinc/80/87/53/1432808753.db2.gz UMTFJJVMXPXARV-UHFFFAOYSA-N -2 0 389.433 3.396 20 0 GGADRL O=C(NN=c1cnc2ccccc2[nH]1)c1cc(F)c(F)cc1Br ZINC000193478456 1433005774 /nfs/dbraw/zinc/00/57/74/1433005774.db2.gz ROYHELKTVOUVPZ-UHFFFAOYSA-N -2 0 379.164 3.427 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)cc1O ZINC000231658370 1433373269 /nfs/dbraw/zinc/37/32/69/1433373269.db2.gz TZLVRRSXVSJFHP-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)NC(C)C)c2)sc1C(=O)[O-] ZINC000264631578 1434137262 /nfs/dbraw/zinc/13/72/62/1434137262.db2.gz LYADAWHVDCKEOY-UHFFFAOYSA-N -2 0 396.490 3.002 20 0 GGADRL Cc1cc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000267219674 1434414733 /nfs/dbraw/zinc/41/47/33/1434414733.db2.gz HUBKMFCVJHDQST-UHFFFAOYSA-N -2 0 384.367 3.067 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1C(=O)[O-] ZINC000270994920 1434794044 /nfs/dbraw/zinc/79/40/44/1434794044.db2.gz AVQJEHXBWAPRRZ-GFCCVEGCSA-N -2 0 393.490 3.401 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)cc1C(=O)[O-] ZINC000271075945 1434800501 /nfs/dbraw/zinc/80/05/01/1434800501.db2.gz PRSSZWKOPNJLNF-GFCCVEGCSA-N -2 0 393.490 3.259 20 0 GGADRL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(CC)c2)c1C ZINC000271100708 1434802005 /nfs/dbraw/zinc/80/20/05/1434802005.db2.gz XXSCBOHNHOWCRQ-UHFFFAOYSA-N -2 0 393.465 3.054 20 0 GGADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000271977382 1434863104 /nfs/dbraw/zinc/86/31/04/1434863104.db2.gz VZNVQXMNJMEEMV-UHFFFAOYSA-N -2 0 379.434 3.053 20 0 GGADRL Cc1cc(C(=O)N2CC3(CCCC3)c3cccc(F)c32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000278504010 1435395542 /nfs/dbraw/zinc/39/55/42/1435395542.db2.gz LSJDWWGGCRYFKX-UHFFFAOYSA-N -2 0 394.406 3.356 20 0 GGADRL Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)c1 ZINC000826288889 1441591145 /nfs/dbraw/zinc/59/11/45/1441591145.db2.gz BANGICRUOWBRGG-UHFFFAOYSA-N -2 0 384.248 3.283 20 0 GGADRL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccccc1OC1CCCC1 ZINC000737300576 1441811845 /nfs/dbraw/zinc/81/18/45/1441811845.db2.gz BXQZFQRNNRQBCQ-UHFFFAOYSA-N -2 0 399.476 3.297 20 0 GGADRL C[C@H](NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314000 1442263264 /nfs/dbraw/zinc/26/32/64/1442263264.db2.gz GLFDOZWRIWGOIG-RNODOKPDSA-N -2 0 385.468 3.105 20 0 GGADRL O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1cc(-c2nn[n-]n2)cs1 ZINC000823375935 1442397544 /nfs/dbraw/zinc/39/75/44/1442397544.db2.gz QKJXTWDPHIASNV-UHFFFAOYSA-N -2 0 389.853 3.352 20 0 GGADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1F ZINC000822129630 1442473828 /nfs/dbraw/zinc/47/38/28/1442473828.db2.gz MVZGGJGDCOGYPF-UHFFFAOYSA-N -2 0 391.359 3.000 20 0 GGADRL O=S(=O)([N-]c1ccccc1Nc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826492906 1443182636 /nfs/dbraw/zinc/18/26/36/1443182636.db2.gz KRLNMICDNXKTSU-UHFFFAOYSA-N -2 0 392.444 3.411 20 0 GGADRL CCN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380090 1443243519 /nfs/dbraw/zinc/24/35/19/1443243519.db2.gz ODRWSUAWAXFSOX-VIFPVBQESA-N -2 0 391.353 3.213 20 0 GGADRL Cc1cccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826299646 1443245225 /nfs/dbraw/zinc/24/52/25/1443245225.db2.gz ODNQXYFJXAYWAK-UHFFFAOYSA-N -2 0 398.473 3.099 20 0 GGADRL O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000823382876 1443438707 /nfs/dbraw/zinc/43/87/07/1443438707.db2.gz FWUOQACXGBBDDG-UHFFFAOYSA-N -2 0 389.853 3.352 20 0 GGADRL C[C@@H](NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820314001 1443493737 /nfs/dbraw/zinc/49/37/37/1443493737.db2.gz GLFDOZWRIWGOIG-XCLFUZPHSA-N -2 0 385.468 3.105 20 0 GGADRL C[C@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820386213 1443526147 /nfs/dbraw/zinc/52/61/47/1443526147.db2.gz YBWCUDQDQFWFTB-QMMMGPOBSA-N -2 0 378.219 3.370 20 0 GGADRL O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cc(-c2nnn[n-]2)ccc1O ZINC000826423709 1443602186 /nfs/dbraw/zinc/60/21/86/1443602186.db2.gz CBWKCJHWUDOORK-UHFFFAOYSA-N -2 0 396.407 3.016 20 0 GGADRL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Nc1cccc(OC2CCCC2)c1 ZINC000737224844 1443833944 /nfs/dbraw/zinc/83/39/44/1443833944.db2.gz IGOVQBJKYJVSCA-UHFFFAOYSA-N -2 0 399.476 3.297 20 0 GGADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000824333787 1446144446 /nfs/dbraw/zinc/14/44/46/1446144446.db2.gz MNJPTGLMNJUIBA-UHFFFAOYSA-N -2 0 393.856 3.108 20 0 GGADRL Cc1nc(SCc2ccc(-c3nnn[n-]3)cc2Br)[nH]c(=O)c1C ZINC000826327850 1446246421 /nfs/dbraw/zinc/24/64/21/1446246421.db2.gz WMTPHVKUOATZRF-UHFFFAOYSA-N -2 0 393.270 3.034 20 0 GGADRL CSc1ccncc1[N-]C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821990114 1446367284 /nfs/dbraw/zinc/36/72/84/1446367284.db2.gz PXIGOWBVMXBBNE-UHFFFAOYSA-N -2 0 377.886 3.446 20 0 GGADRL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000825333227 1446385936 /nfs/dbraw/zinc/38/59/36/1446385936.db2.gz SKRVHKPFOROMMM-UHFFFAOYSA-N -2 0 392.510 3.168 20 0 GGADRL C[C@H](NC(=O)[N-]c1nnc(-c2ccsc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380443 1446647525 /nfs/dbraw/zinc/64/75/25/1446647525.db2.gz SSVVIIJTCBTCOT-VIFPVBQESA-N -2 0 398.477 3.329 20 0 GGADRL CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737191623 1446967106 /nfs/dbraw/zinc/96/71/06/1446967106.db2.gz SOSORDZHMISBFV-UHFFFAOYSA-N -2 0 399.860 3.182 20 0 GGADRL CCCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821049542 1446982952 /nfs/dbraw/zinc/98/29/52/1446982952.db2.gz KYWWMAJZDWXZLG-SFHVURJKSA-N -2 0 393.513 3.058 20 0 GGADRL C[C@@H]1CC[C@H](CCC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)O1 ZINC000820689665 1447328221 /nfs/dbraw/zinc/32/82/21/1447328221.db2.gz AOMHWLBBNLNKPS-BXUZGUMPSA-N -2 0 384.465 3.276 20 0 GGADRL CSc1ccc(C)c(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826230420 1449178077 /nfs/dbraw/zinc/17/80/77/1449178077.db2.gz SJCDBTPQNCHIMW-UHFFFAOYSA-N -2 0 375.479 3.006 20 0 GGADRL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Nc1cccc(SC(F)F)c1 ZINC000737300644 1449891997 /nfs/dbraw/zinc/89/19/97/1449891997.db2.gz DNIPSLWUEUGPFL-UHFFFAOYSA-N -2 0 397.432 3.291 20 0 GGADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822378940 1450039821 /nfs/dbraw/zinc/03/98/21/1450039821.db2.gz HYUIZTALECZDKX-UHFFFAOYSA-N -2 0 389.384 3.056 20 0 GGADRL CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000820121263 1450154845 /nfs/dbraw/zinc/15/48/45/1450154845.db2.gz OEFXJJTZVQGYEQ-UHFFFAOYSA-N -2 0 394.460 3.347 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2C)c(Cl)cc1F ZINC000822211624 1450287482 /nfs/dbraw/zinc/28/74/82/1450287482.db2.gz IBHSQJOAAKFSTL-UHFFFAOYSA-N -2 0 381.820 3.077 20 0 GGADRL Cc1c2nc(NC(=O)[C@H](C)Oc3ccccc3-c3nnn[n-]3)sc2ccc1F ZINC000822034374 1450377629 /nfs/dbraw/zinc/37/76/29/1450377629.db2.gz AHFOCAYVGUVWGB-JTQLQIEISA-N -2 0 398.423 3.330 20 0 GGADRL CC(C)[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)C1 ZINC000820039472 1450462725 /nfs/dbraw/zinc/46/27/25/1450462725.db2.gz XHORVQPRDKTYCP-HNNXBMFYSA-N -2 0 397.508 3.424 20 0 GGADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000322872496 970939116 /nfs/dbraw/zinc/93/91/16/970939116.db2.gz GWBKXRRWNPHEBZ-UHFFFAOYSA-N -2 0 376.799 3.117 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Br)ccc1C#N ZINC000323647272 971024529 /nfs/dbraw/zinc/02/45/29/971024529.db2.gz VFIUNZWZHZQFEI-UHFFFAOYSA-N -2 0 395.234 3.128 20 0 GGADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccccc1OCC(F)(F)F ZINC000323881054 971050750 /nfs/dbraw/zinc/05/07/50/971050750.db2.gz KZYGQRJYIFKEMC-UHFFFAOYSA-N -2 0 381.353 3.188 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)sc1C(=O)[O-] ZINC000324005127 971072963 /nfs/dbraw/zinc/07/29/63/971072963.db2.gz HHIGCNXZOUMKPN-UHFFFAOYSA-N -2 0 381.353 3.454 20 0 GGADRL CC(C)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC000324181525 971094370 /nfs/dbraw/zinc/09/43/70/971094370.db2.gz SHYIIEYAEBERPT-UHFFFAOYSA-N -2 0 378.237 3.270 20 0 GGADRL CCc1nc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)sc1C ZINC000324555538 971132399 /nfs/dbraw/zinc/13/23/99/971132399.db2.gz WWDTZHKQVBIZFQ-UHFFFAOYSA-N -2 0 390.870 3.175 20 0 GGADRL COc1cc(NC(=O)c2ccc(Br)cc2[O-])c(C(=O)[O-])cc1OC ZINC000324635167 971142135 /nfs/dbraw/zinc/14/21/35/971142135.db2.gz VPPSMDVNMJXBDZ-UHFFFAOYSA-N -2 0 396.193 3.122 20 0 GGADRL CCOC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000324699457 971149697 /nfs/dbraw/zinc/14/96/97/971149697.db2.gz XTZXPMJIDCNNAB-UHFFFAOYSA-N -2 0 389.476 3.102 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000325075931 971182315 /nfs/dbraw/zinc/18/23/15/971182315.db2.gz YRZRAYIGYOGPHB-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000325835474 971247095 /nfs/dbraw/zinc/24/70/95/971247095.db2.gz AZJXPWDCYOFTBF-UHFFFAOYSA-N -2 0 381.353 3.454 20 0 GGADRL COC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000326203248 971274465 /nfs/dbraw/zinc/27/44/65/971274465.db2.gz PQIWSADWHSDKMM-UHFFFAOYSA-N -2 0 389.476 3.020 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000326691304 971317377 /nfs/dbraw/zinc/31/73/77/971317377.db2.gz RBZKUHBNAMEKPL-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000326727720 971321412 /nfs/dbraw/zinc/32/14/12/971321412.db2.gz DIKLAEAFIROWKD-UHFFFAOYSA-N -2 0 382.463 3.232 20 0 GGADRL O=C([O-])CCc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000326937907 971347952 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385.445 3.242 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)ccc1O ZINC000392271484 972436874 /nfs/dbraw/zinc/43/68/74/972436874.db2.gz LRTHBDZRTJYVKT-UHFFFAOYSA-N -2 0 378.793 3.093 20 0 GGADRL CCc1cccc([N-]S(=O)(=O)c2cc(/C=C\C(=O)[O-])cc(OC)c2OC)c1 ZINC000208029183 959667363 /nfs/dbraw/zinc/66/73/63/959667363.db2.gz IOUZLSXDYMGOES-HJWRWDBZSA-N -2 0 391.445 3.165 20 0 GGADRL Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000224273581 959846815 /nfs/dbraw/zinc/84/68/15/959846815.db2.gz JYOMCJNNYHXDST-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000224274198 959847092 /nfs/dbraw/zinc/84/70/92/959847092.db2.gz KHGBEQHWIZDGHR-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n(-c2cccc(C)c2)n1 ZINC001184664867 960514328 /nfs/dbraw/zinc/51/43/28/960514328.db2.gz WCAYNGIZEXSVEQ-UHFFFAOYSA-N -2 0 385.445 3.297 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2csc(-c3ccncc3)n2)cc1C(=O)[O-] ZINC001184670442 960514628 /nfs/dbraw/zinc/51/46/28/960514628.db2.gz PDNPDWWJRMZYAF-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2ccc3ccc(Cl)cc3n2)cc1C(=O)[O-] ZINC001185272060 960522289 /nfs/dbraw/zinc/52/22/89/960522289.db2.gz UWTZLOZOZQOHPQ-UHFFFAOYSA-N -2 0 392.820 3.396 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C[NH+]3CCCC3)c2)c1 ZINC001187578765 960546891 /nfs/dbraw/zinc/54/68/91/960546891.db2.gz AOYUBDWRRRQPGR-UHFFFAOYSA-N -2 0 394.880 3.435 20 0 GGADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)cc1 ZINC001192683053 960560303 /nfs/dbraw/zinc/56/03/03/960560303.db2.gz KFFKFKWWEHUVCA-UHFFFAOYSA-N -2 0 390.442 3.074 20 0 GGADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)cc1 ZINC001192686575 960563119 /nfs/dbraw/zinc/56/31/19/960563119.db2.gz UVAMAYSTPGGZRP-UHFFFAOYSA-N -2 0 384.413 3.013 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2C(F)(F)F)c(F)cc1Cl ZINC001259213763 960667532 /nfs/dbraw/zinc/66/75/32/960667532.db2.gz LEACTLNZSNPZIX-UHFFFAOYSA-N -2 0 398.721 3.392 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)c(F)cc1Cl ZINC001259219324 960676551 /nfs/dbraw/zinc/67/65/51/960676551.db2.gz XKBWBQUXOQGDDX-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)c(F)cc1Cl ZINC001259218932 960676898 /nfs/dbraw/zinc/67/68/98/960676898.db2.gz NQQNAHQUWYPAOH-UHFFFAOYSA-N -2 0 397.771 3.028 20 0 GGADRL COc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259220274 960678860 /nfs/dbraw/zinc/67/88/60/960678860.db2.gz AHJXDWUCMVUPAF-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL Cn1ccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3F)cc21 ZINC001259220737 960679779 /nfs/dbraw/zinc/67/97/79/960679779.db2.gz RNAFYHSAQGLMBE-UHFFFAOYSA-N -2 0 382.800 3.470 20 0 GGADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2c(F)cccc2Br)c1 ZINC001319185055 960923405 /nfs/dbraw/zinc/92/34/05/960923405.db2.gz RPJIZHFWQNOPRB-UHFFFAOYSA-N -2 0 388.214 3.016 20 0 GGADRL CC(C)C[C@@H](CNC(=O)c1cc(Cl)cc(Br)c1[O-])C(=O)[O-] ZINC001588854856 961964380 /nfs/dbraw/zinc/96/43/80/961964380.db2.gz NKPAHUUFFCZDIR-QMMMGPOBSA-N -2 0 378.650 3.285 20 0 GGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)cc1)C(=O)[O-] ZINC001342424981 962146989 /nfs/dbraw/zinc/14/69/89/962146989.db2.gz NKAOODVHEFWYTM-VIFPVBQESA-N -2 0 389.260 3.452 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H](C(=O)[O-])c3ccc(F)cc3)n2)c1 ZINC001588969649 962666200 /nfs/dbraw/zinc/66/62/00/962666200.db2.gz PSRUJOVSNUCSRY-GOSISDBHSA-N -2 0 397.406 3.396 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000266804435 962760146 /nfs/dbraw/zinc/76/01/46/962760146.db2.gz SUPGBZDAPDZYTK-RUZDIDTESA-N -2 0 399.490 3.134 20 0 GGADRL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000276048111 962843149 /nfs/dbraw/zinc/84/31/49/962843149.db2.gz OKPJNRUWBRUPHE-UHFFFAOYSA-N -2 0 397.474 3.006 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000290591213 962897847 /nfs/dbraw/zinc/89/78/47/962897847.db2.gz XMQNTFRPHCMTBS-UHFFFAOYSA-N -2 0 391.445 3.007 20 0 GGADRL O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000316911525 964072993 /nfs/dbraw/zinc/07/29/93/964072993.db2.gz UJNAHAWOJKGQSD-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)C(F)(F)F ZINC000393870627 972652616 /nfs/dbraw/zinc/65/26/16/972652616.db2.gz CUABSUAFQCKLGS-UHFFFAOYSA-N -2 0 380.171 3.311 20 0 GGADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC001605179635 972895682 /nfs/dbraw/zinc/89/56/82/972895682.db2.gz RIORLAOHVBRTPM-JKSUJKDBSA-N -2 0 395.390 3.068 20 0 GGADRL Cc1cccc([C@H](NC(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C(=O)[O-])c1 ZINC001605329556 973199110 /nfs/dbraw/zinc/19/91/10/973199110.db2.gz XMYTVQLBGKKZQL-INIZCTEOSA-N -2 0 385.807 3.095 20 0 GGADRL O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])CO1 ZINC001606111506 973319824 /nfs/dbraw/zinc/31/98/24/973319824.db2.gz ITRUNTJKLJDHAH-APPZFPTMSA-N -2 0 392.633 3.017 20 0 GGADRL O=C([O-])CCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001606146323 973403920 /nfs/dbraw/zinc/40/39/20/973403920.db2.gz TUHYGBJMFGIHIC-UHFFFAOYSA-N -2 0 376.434 3.071 20 0 GGADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cccc1C(=O)[O-] ZINC000410397245 973928234 /nfs/dbraw/zinc/92/82/34/973928234.db2.gz KCURUVWWBXFBBZ-UHFFFAOYSA-N -2 0 389.351 3.390 20 0 GGADRL CC(C)Oc1c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cccc1C(=O)[O-] ZINC000410403105 973929220 /nfs/dbraw/zinc/92/92/20/973929220.db2.gz RIBBSMCWIGTROQ-LBPRGKRZSA-N -2 0 391.445 3.296 20 0 GGADRL CCC(CC)(CNC(=O)N=c1[n-]nc(SCc2ccccc2)s1)C(=O)[O-] ZINC000424471702 974038187 /nfs/dbraw/zinc/03/81/87/974038187.db2.gz OCQKDPMNBOCJEA-UHFFFAOYSA-N -2 0 394.522 3.265 20 0 GGADRL Cc1c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cccc1-c1ncco1 ZINC000427331731 974053070 /nfs/dbraw/zinc/05/30/70/974053070.db2.gz QHCLXQNVCDBRDE-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)ccc1C(=O)[O-] ZINC000432761001 974093856 /nfs/dbraw/zinc/09/38/56/974093856.db2.gz QAPKJTVJWJJMBK-UHFFFAOYSA-N -2 0 391.323 3.093 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cnn1-c1ccccc1 ZINC000435131835 974096647 /nfs/dbraw/zinc/09/66/47/974096647.db2.gz TVASPHULUOLVRZ-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1ccc(F)c(-c2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)n[nH]2)c1 ZINC000436155101 974098732 /nfs/dbraw/zinc/09/87/32/974098732.db2.gz SXYZRWQWSYCJSJ-UHFFFAOYSA-N -2 0 375.381 3.023 20 0 GGADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000438771658 974102069 /nfs/dbraw/zinc/10/20/69/974102069.db2.gz IMUIVXHZHMYVEN-UHFFFAOYSA-N -2 0 383.397 3.121 20 0 GGADRL Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc2)n1 ZINC000438780322 974102310 /nfs/dbraw/zinc/10/23/10/974102310.db2.gz QWPVTOBLAPHOBF-UHFFFAOYSA-N -2 0 387.392 3.090 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)c(F)c1 ZINC000438773396 974102355 /nfs/dbraw/zinc/10/23/55/974102355.db2.gz RYPUORUWRIFPEX-UHFFFAOYSA-N -2 0 380.397 3.041 20 0 GGADRL CCc1ccc(NS(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000440812140 974117155 /nfs/dbraw/zinc/11/71/55/974117155.db2.gz USDQQKQRHAFVKK-UHFFFAOYSA-N -2 0 377.418 3.009 20 0 GGADRL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc2O1 ZINC000442853412 974119495 /nfs/dbraw/zinc/11/94/95/974119495.db2.gz ZQFTYRWRANLXQX-KRWDZBQOSA-N -2 0 381.381 3.222 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(OC(C)C)c1 ZINC000447274502 974125234 /nfs/dbraw/zinc/12/52/34/974125234.db2.gz NFYGKOPDFDOPNH-UHFFFAOYSA-N -2 0 379.434 3.290 20 0 GGADRL CO[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)cccc21 ZINC000447778829 974125759 /nfs/dbraw/zinc/12/57/59/974125759.db2.gz RPIVNYYGKZVDGX-HNNXBMFYSA-N -2 0 397.836 3.309 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c(C(=O)[O-])c1 ZINC000460842339 974183715 /nfs/dbraw/zinc/18/37/15/974183715.db2.gz YOTOZGVPKWGSRW-UHFFFAOYSA-N -2 0 389.408 3.073 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c2ncccc12 ZINC000463781270 974187739 /nfs/dbraw/zinc/18/77/39/974187739.db2.gz GWWUATZOLADKQJ-UHFFFAOYSA-N -2 0 390.392 3.272 20 0 GGADRL CC[C@H](Cc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1)C(=O)[O-] ZINC000463779995 974187906 /nfs/dbraw/zinc/18/79/06/974187906.db2.gz WTYCDRNVXLWIMP-CQSZACIVSA-N -2 0 391.445 3.147 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC(C)(C)C ZINC000466347104 974189385 /nfs/dbraw/zinc/18/93/85/974189385.db2.gz OAYHCVXOCOXINC-UHFFFAOYSA-N -2 0 390.461 3.022 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1OCC(F)(F)F ZINC000467761838 974191844 /nfs/dbraw/zinc/19/18/44/974191844.db2.gz FHCUTCZLIXIHLY-UHFFFAOYSA-N -2 0 393.339 3.337 20 0 GGADRL COC[C@@H](C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000468380790 974194025 /nfs/dbraw/zinc/19/40/25/974194025.db2.gz BYWCJEPISVMWDY-LLVKDONJSA-N -2 0 399.852 3.253 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccn2)cc1F ZINC000471565892 974197829 /nfs/dbraw/zinc/19/78/29/974197829.db2.gz KKKHOMDPAMAZEZ-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C)c2O)cc1C(=O)[O-] ZINC000479544018 974217286 /nfs/dbraw/zinc/21/72/86/974217286.db2.gz NFPRXPQUNLTKSW-UHFFFAOYSA-N -2 0 379.434 3.197 20 0 GGADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C(C)C ZINC000480200088 974219290 /nfs/dbraw/zinc/21/92/90/974219290.db2.gz MGIHXYPWMXSHFN-UHFFFAOYSA-N -2 0 383.445 3.445 20 0 GGADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C(C)C ZINC000480232044 974219669 /nfs/dbraw/zinc/21/96/69/974219669.db2.gz SDRPBLVWCZHLNZ-UHFFFAOYSA-N -2 0 383.445 3.445 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(C)C)cc1 ZINC000484977391 974222971 /nfs/dbraw/zinc/22/29/71/974222971.db2.gz OZNMOUACMFJIEC-UHFFFAOYSA-N -2 0 379.434 3.372 20 0 GGADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)c1 ZINC000485259647 974224307 /nfs/dbraw/zinc/22/43/07/974224307.db2.gz BQNBYZWDMPRILN-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CCC(C)C)c1C(C)C ZINC000486112297 974244075 /nfs/dbraw/zinc/24/40/75/974244075.db2.gz YRIKTPYZQNREBW-UHFFFAOYSA-N -2 0 383.470 3.453 20 0 GGADRL Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)n[nH]2)c1 ZINC000489573163 974251186 /nfs/dbraw/zinc/25/11/86/974251186.db2.gz ILLVMYQXGQBJPP-UHFFFAOYSA-N -2 0 389.408 3.332 20 0 GGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1)C(=O)[O-] ZINC000489404425 974251278 /nfs/dbraw/zinc/25/12/78/974251278.db2.gz FSCJQKGLDGUTIJ-JTQLQIEISA-N -2 0 388.367 3.164 20 0 GGADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)cc1 ZINC000489285712 974251766 /nfs/dbraw/zinc/25/17/66/974251766.db2.gz IREGMADSSPKBGT-UHFFFAOYSA-N -2 0 393.314 3.152 20 0 GGADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000489706627 974252289 /nfs/dbraw/zinc/25/22/89/974252289.db2.gz ODVSVAHBTDULMG-UHFFFAOYSA-N -2 0 383.397 3.121 20 0 GGADRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000504508779 974268999 /nfs/dbraw/zinc/26/89/99/974268999.db2.gz YMIVPABBDAGNEC-UHFFFAOYSA-N -2 0 386.429 3.198 20 0 GGADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1OC ZINC000504536412 974269326 /nfs/dbraw/zinc/26/93/26/974269326.db2.gz NCAKDBBIBHGZAA-UHFFFAOYSA-N -2 0 399.852 3.040 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cnn1CCC(C)C ZINC000507979977 974279325 /nfs/dbraw/zinc/27/93/25/974279325.db2.gz PROWYXQEWZTTBW-UHFFFAOYSA-N -2 0 379.482 3.299 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)nn1-c1cccc(F)c1 ZINC000507921557 974279531 /nfs/dbraw/zinc/27/95/31/974279531.db2.gz XJFKQEDPWBCSNH-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1cc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000507904112 974279996 /nfs/dbraw/zinc/27/99/96/974279996.db2.gz IPDWHTHKQQGEDP-NSHDSACASA-N -2 0 377.418 3.072 20 0 GGADRL CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000515633195 974300591 /nfs/dbraw/zinc/30/05/91/974300591.db2.gz SJSNTHZHXQNNPU-UHFFFAOYSA-N -2 0 396.490 3.166 20 0 GGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1OC ZINC000519074740 974327207 /nfs/dbraw/zinc/32/72/07/974327207.db2.gz RPYIIOUNBKFDBB-UHFFFAOYSA-N -2 0 399.852 3.473 20 0 GGADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000533952037 974378266 /nfs/dbraw/zinc/37/82/66/974378266.db2.gz UWXDTWMUYGGRKK-UHFFFAOYSA-N -3 0 397.836 3.246 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nn1-c1cccc(F)c1 ZINC000539552898 974393782 /nfs/dbraw/zinc/39/37/82/974393782.db2.gz SURSZGGGGBXVEB-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)nn1-c1cccc(F)c1 ZINC000540649638 974402690 /nfs/dbraw/zinc/40/26/90/974402690.db2.gz WIZHFDAARCNROF-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1)C(=O)[O-] ZINC000543663472 974418814 /nfs/dbraw/zinc/41/88/14/974418814.db2.gz NXSZOTMFKVCRRC-SNVBAGLBSA-N -3 0 397.836 3.102 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)nn1[C@@H](C)C1CC1 ZINC000544095690 974419801 /nfs/dbraw/zinc/41/98/01/974419801.db2.gz DRVQQHVRPZOVTP-ZDUSSCGKSA-N -2 0 377.466 3.278 20 0 GGADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000544646579 974421870 /nfs/dbraw/zinc/42/18/70/974421870.db2.gz LNZRCBNXFIIXBU-UHFFFAOYSA-N -2 0 399.297 3.174 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c2ncccc12 ZINC000546022437 974428352 /nfs/dbraw/zinc/42/83/52/974428352.db2.gz KXMXYDYASPMEFW-UHFFFAOYSA-N -2 0 392.820 3.396 20 0 GGADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000548568877 974470922 /nfs/dbraw/zinc/47/09/22/974470922.db2.gz AENBINUFACOLGN-UHFFFAOYSA-N -2 0 377.393 3.100 20 0 GGADRL COc1ccc(F)c(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000549541940 974475468 /nfs/dbraw/zinc/47/54/68/974475468.db2.gz HJIKXRPGGGHIFC-UHFFFAOYSA-N -2 0 393.314 3.352 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000551473027 974478227 /nfs/dbraw/zinc/47/82/27/974478227.db2.gz FEYCNDOQCZUKHI-UHFFFAOYSA-N -2 0 395.408 3.218 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)nn1-c1cc(C)cc(C)c1 ZINC000562228073 974505639 /nfs/dbraw/zinc/50/56/39/974505639.db2.gz MCDWVBGXIZCNCN-UHFFFAOYSA-N -2 0 399.472 3.225 20 0 GGADRL Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(C2CCCCC2)n1 ZINC000565933292 974591572 /nfs/dbraw/zinc/59/15/72/974591572.db2.gz JSDUUEUDBNVAFB-UHFFFAOYSA-N -2 0 381.429 3.106 20 0 GGADRL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1 ZINC000568577877 974673559 /nfs/dbraw/zinc/67/35/59/974673559.db2.gz CYXHPHIWZJGJLG-UHFFFAOYSA-N -2 0 377.418 3.101 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C(F)(F)F ZINC000570121333 974705229 /nfs/dbraw/zinc/70/52/29/974705229.db2.gz CQHMVZUGDWCWGT-VIFPVBQESA-N -2 0 393.339 3.417 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(-c2ccc(Cl)cc2)c1C ZINC000571438089 974729787 /nfs/dbraw/zinc/72/97/87/974729787.db2.gz TUONSLSJXUDBFV-UHFFFAOYSA-N -2 0 395.824 3.235 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C1CC1 ZINC000572318086 974745456 /nfs/dbraw/zinc/74/54/56/974745456.db2.gz YBCKXIFUWDXIML-UHFFFAOYSA-N -2 0 377.466 3.224 20 0 GGADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1-c1ccccc1 ZINC000580236808 974891887 /nfs/dbraw/zinc/89/18/87/974891887.db2.gz NQEZPAVNWPVZBF-UHFFFAOYSA-N -2 0 389.408 3.034 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000582017835 974918960 /nfs/dbraw/zinc/91/89/60/974918960.db2.gz GBCIQNMSGLAXNX-UHFFFAOYSA-N -2 0 395.408 3.218 20 0 GGADRL CCCCn1ncc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C(C)C ZINC000584145339 974950435 /nfs/dbraw/zinc/95/04/35/974950435.db2.gz UGKMUJKMHZIIHG-UHFFFAOYSA-N -2 0 379.482 3.235 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1OCC ZINC000608341109 975017126 /nfs/dbraw/zinc/01/71/26/975017126.db2.gz CPJNHDGKBQYZRF-UHFFFAOYSA-N -2 0 383.397 3.122 20 0 GGADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001591769739 975896332 /nfs/dbraw/zinc/89/63/32/975896332.db2.gz YIWCVZFBODQEFC-UHFFFAOYSA-N -2 0 389.408 3.103 20 0 GGADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001591771844 975900481 /nfs/dbraw/zinc/90/04/81/975900481.db2.gz LQGMXSNSCRQYGT-UHFFFAOYSA-N -2 0 399.378 3.455 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1OCc1ccccc1 ZINC000673629602 976011550 /nfs/dbraw/zinc/01/15/50/976011550.db2.gz RULHZYVGOABXRN-UHFFFAOYSA-N -2 0 388.401 3.061 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(cnn3C(F)F)c2)c(F)c1 ZINC000676560237 976030184 /nfs/dbraw/zinc/03/01/84/976030184.db2.gz WVEXUFHKWQXAFO-UHFFFAOYSA-N -2 0 385.323 3.070 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cnn1CC(C)C ZINC000677417864 976031766 /nfs/dbraw/zinc/03/17/66/976031766.db2.gz WMCVLZJPYDAFND-UHFFFAOYSA-N -2 0 383.445 3.048 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@]3(C)CCCC[C@@H]3C(=O)[O-])n2)cc1 ZINC001591943178 976476602 /nfs/dbraw/zinc/47/66/02/976476602.db2.gz FXLJJJQHELNMQQ-IERDGZPVSA-N -2 0 385.464 3.465 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3C[C@@H]4CCC[C@]4(C(=O)[O-])C3)n2)cc1 ZINC001591943203 976476877 /nfs/dbraw/zinc/47/68/77/976476877.db2.gz GOQOUDDOGZQSIG-BTYIYWSLSA-N -2 0 383.448 3.028 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H](CC(=O)[O-])C3CCCC3)n2)cc1 ZINC001591943673 976482440 /nfs/dbraw/zinc/48/24/40/976482440.db2.gz PLWQOIARBZPAEU-KRWDZBQOSA-N -2 0 385.464 3.465 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H](C(=O)[O-])c3ccsc3)n2)c1 ZINC001591983968 976605665 /nfs/dbraw/zinc/60/56/65/976605665.db2.gz WDDDTUJISORZHX-INIZCTEOSA-N -2 0 385.445 3.319 20 0 GGADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c1 ZINC000694170878 976674355 /nfs/dbraw/zinc/67/43/55/976674355.db2.gz FGEFMYIWJIUNAB-UHFFFAOYSA-N -2 0 380.603 3.195 20 0 GGADRL CC(C)c1nc([N-]S(=O)(=O)Cc2c(F)cccc2F)sc1C(=O)[O-] ZINC001592030240 976734227 /nfs/dbraw/zinc/73/42/27/976734227.db2.gz FVVFOVIHOPTCPD-UHFFFAOYSA-N -2 0 376.406 3.185 20 0 GGADRL CC(C)c1nc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)sc1C(=O)[O-] ZINC001592030849 976738625 /nfs/dbraw/zinc/73/86/25/976738625.db2.gz ZFEJAPUTABPYFS-UHFFFAOYSA-N -2 0 380.447 3.140 20 0 GGADRL CC(C)c1nnc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C(=O)[O-])cn21 ZINC001592091915 976841618 /nfs/dbraw/zinc/84/16/18/976841618.db2.gz VSQBNBNNGNASRI-UHFFFAOYSA-N -2 0 394.840 3.005 20 0 GGADRL CC(C)c1sc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)nc1C(=O)[O-] ZINC001592116617 976916193 /nfs/dbraw/zinc/91/61/93/976916193.db2.gz CCZRMNQFBQNTHV-UHFFFAOYSA-N -2 0 395.384 3.179 20 0 GGADRL CC(C)c1sc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)nc1C(=O)[O-] ZINC001592117664 976923251 /nfs/dbraw/zinc/92/32/51/976923251.db2.gz VKMXXENSYBRMFO-UHFFFAOYSA-N -2 0 395.506 3.148 20 0 GGADRL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001592181018 977099362 /nfs/dbraw/zinc/09/93/62/977099362.db2.gz HVIZYOGMANXQNC-QMMMGPOBSA-N -2 0 387.820 3.146 20 0 GGADRL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001592181017 977099586 /nfs/dbraw/zinc/09/95/86/977099586.db2.gz HVIZYOGMANXQNC-MRVPVSSYSA-N -2 0 387.820 3.146 20 0 GGADRL C[C@](CC(=O)[O-])(C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccsc1 ZINC001592278418 977563737 /nfs/dbraw/zinc/56/37/37/977563737.db2.gz VPLAPHUSCWLRSW-HNAYVOBHSA-N -2 0 375.446 3.203 20 0 GGADRL C[C@H](CC(=O)[O-])CC(=O)Nc1cc(Br)cc(C(=O)[O-])c1Cl ZINC001592391417 977936924 /nfs/dbraw/zinc/93/69/24/977936924.db2.gz KGQVTZWIQANOBS-LURJTMIESA-N -2 0 378.606 3.240 20 0 GGADRL C[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001592465239 978204870 /nfs/dbraw/zinc/20/48/70/978204870.db2.gz BAIXHYMAUWNFBD-JTQLQIEISA-N -2 0 389.420 3.074 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)c(C(=O)[O-])c1 ZINC000732951395 978300609 /nfs/dbraw/zinc/30/06/09/978300609.db2.gz KGYGIJQTTATWTF-UHFFFAOYSA-N -2 0 375.233 3.450 20 0 GGADRL CC(C)C[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1ccccc1 ZINC000736401279 978330432 /nfs/dbraw/zinc/33/04/32/978330432.db2.gz GEYYGORSWWGJJV-CYBMUJFWSA-N -2 0 381.475 3.081 20 0 GGADRL CC(C)c1ccc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000736512249 978340160 /nfs/dbraw/zinc/34/01/60/978340160.db2.gz GIZLYVFGTRTALZ-UONOGXRCSA-N -2 0 393.486 3.178 20 0 GGADRL CC(C)c1ccc([C@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000736512251 978340246 /nfs/dbraw/zinc/34/02/46/978340246.db2.gz GIZLYVFGTRTALZ-ZIAGYGMSSA-N -2 0 393.486 3.178 20 0 GGADRL COc1ccccc1S(=O)(=O)[N-]c1cccc(CSCCC(=O)[O-])c1 ZINC000738142376 978485915 /nfs/dbraw/zinc/48/59/15/978485915.db2.gz CYJVMSGHMWQYOP-UHFFFAOYSA-N -2 0 381.475 3.204 20 0 GGADRL O=C([O-])CCSCc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000739753465 978653065 /nfs/dbraw/zinc/65/30/65/978653065.db2.gz KJUCICGZEUFXSV-UHFFFAOYSA-N -2 0 387.429 3.474 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C(F)(F)F)c1 ZINC000745978560 978679976 /nfs/dbraw/zinc/67/99/76/978679976.db2.gz XOANKQZPXLUZMR-UHFFFAOYSA-N -2 0 393.314 3.352 20 0 GGADRL CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC000746054673 978680487 /nfs/dbraw/zinc/68/04/87/978680487.db2.gz XUERKGDIECCPRQ-UHFFFAOYSA-N -2 0 381.406 3.044 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)O[C@@H](C)C2 ZINC000754251998 978695828 /nfs/dbraw/zinc/69/58/28/978695828.db2.gz GLUQBYMAAGNXLL-JTQLQIEISA-N -2 0 395.408 3.047 20 0 GGADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)cc1)C(=O)[O-] ZINC000758171175 978704540 /nfs/dbraw/zinc/70/45/40/978704540.db2.gz VPTFXFAJEIWIOU-SECBINFHSA-N -2 0 399.881 3.113 20 0 GGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C1CC1 ZINC000762477168 978719948 /nfs/dbraw/zinc/71/99/48/978719948.db2.gz UTISUTOHQMJQKZ-JTQLQIEISA-N -2 0 381.429 3.370 20 0 GGADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2cccc(F)c2F)s1 ZINC000769625241 978742276 /nfs/dbraw/zinc/74/22/76/978742276.db2.gz LMKKUXVQZQNBDN-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL COc1cccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)c1 ZINC000769621401 978742423 /nfs/dbraw/zinc/74/24/23/978742423.db2.gz WPCKQMRWSUVRFU-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)cc1 ZINC000769621819 978742491 /nfs/dbraw/zinc/74/24/91/978742491.db2.gz RZWQUTBLNJEOJK-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2)s1 ZINC000769621399 978742600 /nfs/dbraw/zinc/74/26/00/978742600.db2.gz WOXGHDAAOCIUBS-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000769622337 978742635 /nfs/dbraw/zinc/74/26/35/978742635.db2.gz WMNJKZHZQYMVLD-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000776503040 978750691 /nfs/dbraw/zinc/75/06/91/978750691.db2.gz LDLNPCZTXZUPDG-UHFFFAOYSA-N -2 0 379.825 3.104 20 0 GGADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1F ZINC000777935144 978782015 /nfs/dbraw/zinc/78/20/15/978782015.db2.gz FFFWIUWKGFHBTI-UHFFFAOYSA-N -2 0 383.159 3.166 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)nn1[C@@H](C)C1CC1 ZINC000783850006 978793850 /nfs/dbraw/zinc/79/38/50/978793850.db2.gz TXPSVVMOEPZFFY-NSHDSACASA-N -2 0 381.429 3.109 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000788130162 978796833 /nfs/dbraw/zinc/79/68/33/978796833.db2.gz DLSSFBSKEAYOHI-UHFFFAOYSA-N -2 0 395.408 3.218 20 0 GGADRL CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1 ZINC000788755072 978797949 /nfs/dbraw/zinc/79/79/49/978797949.db2.gz ZJGBCBVDNAPFKL-UHFFFAOYSA-N -2 0 377.418 3.120 20 0 GGADRL CO[C@H]1CCOc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cccc21 ZINC000790349780 978799057 /nfs/dbraw/zinc/79/90/57/978799057.db2.gz YWYANUPLWHHGKM-AWEZNQCLSA-N -2 0 397.836 3.309 20 0 GGADRL CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)cccc21 ZINC000790349782 978799465 /nfs/dbraw/zinc/79/94/65/978799465.db2.gz YWYANUPLWHHGKM-CQSZACIVSA-N -2 0 397.836 3.309 20 0 GGADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793392092 978806229 /nfs/dbraw/zinc/80/62/29/978806229.db2.gz FXWCLFFXPXDESL-UHFFFAOYSA-N -2 0 383.397 3.040 20 0 GGADRL Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3C)c2C)o1 ZINC000793413189 978808417 /nfs/dbraw/zinc/80/84/17/978808417.db2.gz WDCFKUSTRNDDNS-UHFFFAOYSA-N -2 0 393.396 3.233 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cnn1CCC(C)C ZINC000793431108 978809395 /nfs/dbraw/zinc/80/93/95/978809395.db2.gz WPNWERJBTZMXLU-UHFFFAOYSA-N -2 0 397.472 3.438 20 0 GGADRL CO[C@H]1CCOc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3C)cccc21 ZINC000793432994 978809527 /nfs/dbraw/zinc/80/95/27/978809527.db2.gz SLIQZIFNRFTVBE-HNNXBMFYSA-N -2 0 395.408 3.103 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cnc1Cl ZINC000799124955 978836157 /nfs/dbraw/zinc/83/61/57/978836157.db2.gz CKUUSKFYCALWFJ-UHFFFAOYSA-N -2 0 384.841 3.330 20 0 GGADRL CCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1C(F)(F)F ZINC000799128966 978837023 /nfs/dbraw/zinc/83/70/23/978837023.db2.gz VZBBMOABVXDAPZ-UHFFFAOYSA-N -2 0 397.762 3.074 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c1F ZINC000830009311 979010812 /nfs/dbraw/zinc/01/08/12/979010812.db2.gz XPFDYUCLJKVWHC-ZDUSSCGKSA-N -2 0 379.409 3.137 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000832918587 979056037 /nfs/dbraw/zinc/05/60/37/979056037.db2.gz NAXVYHAMNJVLGK-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])cc1C ZINC001595022401 979105559 /nfs/dbraw/zinc/10/55/59/979105559.db2.gz BCRVXUMORSJFEZ-LLVKDONJSA-N -2 0 388.449 3.210 20 0 GGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)c1C1CC1 ZINC001595025667 979131108 /nfs/dbraw/zinc/13/11/08/979131108.db2.gz ALJYNZUSMWFIIC-NSHDSACASA-N -2 0 393.465 3.239 20 0 GGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1C ZINC001595026356 979136034 /nfs/dbraw/zinc/13/60/34/979136034.db2.gz HHXJZIALLWFGHD-QMMMGPOBSA-N -2 0 389.836 3.454 20 0 GGADRL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001595037249 979205285 /nfs/dbraw/zinc/20/52/85/979205285.db2.gz VVQRYSKKMDYNIU-NSHDSACASA-N -2 0 397.399 3.052 20 0 GGADRL CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001595058011 979305518 /nfs/dbraw/zinc/30/55/18/979305518.db2.gz ZXFDCTNLGOEURT-UHFFFAOYSA-N -2 0 395.399 3.425 20 0 GGADRL C[C@@H](Cc1ccc(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cc1)C(=O)[O-] ZINC001592858996 979679467 /nfs/dbraw/zinc/67/94/67/979679467.db2.gz PEDVHBLOZAGJLQ-AWEZNQCLSA-N -2 0 381.428 3.148 20 0 GGADRL CC[C@@](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC001595276800 980302647 /nfs/dbraw/zinc/30/26/47/980302647.db2.gz LFPFEASEGABYIO-FQEVSTJZSA-N -2 0 399.834 3.351 20 0 GGADRL CC[C@](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC001595276801 980302930 /nfs/dbraw/zinc/30/29/30/980302930.db2.gz LFPFEASEGABYIO-HXUWFJFHSA-N -2 0 399.834 3.351 20 0 GGADRL CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001595363719 980785863 /nfs/dbraw/zinc/78/58/63/980785863.db2.gz JSOGYOSARZAQAL-MNNVXMFVSA-N -2 0 379.478 3.009 20 0 GGADRL CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)nc3C(=O)[O-])cc2O1 ZINC001595372429 980861579 /nfs/dbraw/zinc/86/15/79/980861579.db2.gz HZGSLYPZVGLXCI-MRXNPFEDSA-N -2 0 398.824 3.131 20 0 GGADRL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3c(C)csc3C(=O)[O-])cc2O1 ZINC001595372736 980865543 /nfs/dbraw/zinc/86/55/43/980865543.db2.gz SPMYOJDCKXGTKF-INIZCTEOSA-N -2 0 383.447 3.453 20 0 GGADRL O=C([O-])CCc1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000903012074 980951527 /nfs/dbraw/zinc/95/15/27/980951527.db2.gz MXIOKPUEGQXXQX-UHFFFAOYSA-N -2 0 389.351 3.403 20 0 GGADRL CCC1CCC(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])(C(=O)[O-])CC1 ZINC001595431202 981051730 /nfs/dbraw/zinc/05/17/30/981051730.db2.gz LDNPGYNHZZKNDL-UHFFFAOYSA-N -2 0 395.399 3.113 20 0 GGADRL CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001595538749 981394189 /nfs/dbraw/zinc/39/41/89/981394189.db2.gz PLZNFURXPOJWMP-UHFFFAOYSA-N -2 0 395.399 3.425 20 0 GGADRL CCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001595540621 981398050 /nfs/dbraw/zinc/39/80/50/981398050.db2.gz AKJJNKLIXWWDEC-OAHLLOKOSA-N -2 0 395.399 3.425 20 0 GGADRL CCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC001595540620 981398217 /nfs/dbraw/zinc/39/82/17/981398217.db2.gz AKJJNKLIXWWDEC-HNNXBMFYSA-N -2 0 395.399 3.425 20 0 GGADRL CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)c2C1 ZINC001595581105 981522508 /nfs/dbraw/zinc/52/25/08/981522508.db2.gz SBDLUZPJZGKIBB-CYBMUJFWSA-N -2 0 389.477 3.085 20 0 GGADRL CCC[C@@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2C1 ZINC001595581447 981524014 /nfs/dbraw/zinc/52/40/14/981524014.db2.gz WFLMRLPRFYBNIS-GFCCVEGCSA-N -2 0 378.450 3.283 20 0 GGADRL CCC[C@H](C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2C1 ZINC001595581448 981524047 /nfs/dbraw/zinc/52/40/47/981524047.db2.gz WFLMRLPRFYBNIS-LBPRGKRZSA-N -2 0 378.450 3.283 20 0 GGADRL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001594830592 982013542 /nfs/dbraw/zinc/01/35/42/982013542.db2.gz YBFJHCUZUMPARP-CQSZACIVSA-N -2 0 390.255 3.117 20 0 GGADRL CCCCCC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001595695169 982216736 /nfs/dbraw/zinc/21/67/36/982216736.db2.gz PXAKXMPQGPZSTH-AWEZNQCLSA-N -2 0 391.873 3.082 20 0 GGADRL CCCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001595695181 982217175 /nfs/dbraw/zinc/21/71/75/982217175.db2.gz QDSQZKRERMTVHX-OAHLLOKOSA-N -2 0 376.500 3.033 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC001595747657 982414895 /nfs/dbraw/zinc/41/48/95/982414895.db2.gz HUDBNQGZWRXWSB-UHFFFAOYSA-N -2 0 397.474 3.069 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001595747797 982415975 /nfs/dbraw/zinc/41/59/75/982415975.db2.gz JQFCYZBSDOVWPR-UHFFFAOYSA-N -2 0 391.445 3.220 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001595748056 982417336 /nfs/dbraw/zinc/41/73/36/982417336.db2.gz QWDMNTLVWOBIDS-UHFFFAOYSA-N -2 0 395.408 3.218 20 0 GGADRL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(F)(F)F ZINC001594922038 982473720 /nfs/dbraw/zinc/47/37/20/982473720.db2.gz WFDJOLKXWMSEEV-KGFZYKRKSA-N -2 0 391.770 3.433 20 0 GGADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001595781132 982559969 /nfs/dbraw/zinc/55/99/69/982559969.db2.gz YCTJMUGKQYCHBW-UHFFFAOYSA-N -2 0 395.433 3.079 20 0 GGADRL CCCCc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)n[nH]1 ZINC001595794065 982598124 /nfs/dbraw/zinc/59/81/24/982598124.db2.gz XZLHAIZFBZDVLB-UHFFFAOYSA-N -2 0 375.809 3.044 20 0 GGADRL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])s1 ZINC000917844890 982682299 /nfs/dbraw/zinc/68/22/99/982682299.db2.gz DXVQFVSELWONQG-UHFFFAOYSA-N -2 0 391.426 3.187 20 0 GGADRL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccc2c1COC2=O ZINC000918740667 982688221 /nfs/dbraw/zinc/68/82/21/982688221.db2.gz WPCBVLBGGLFDJG-UHFFFAOYSA-N -2 0 383.381 3.009 20 0 GGADRL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001594959519 982707727 /nfs/dbraw/zinc/70/77/27/982707727.db2.gz WTVBWOAUXXWVEM-JTQLQIEISA-N -2 0 377.409 3.074 20 0 GGADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001595890729 982920976 /nfs/dbraw/zinc/92/09/76/982920976.db2.gz AUNKKUOARNZVOB-RYUDHWBXSA-N -2 0 377.466 3.027 20 0 GGADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001595890799 982922262 /nfs/dbraw/zinc/92/22/62/982922262.db2.gz FHEUQAJVSANDFJ-UHFFFAOYSA-N -2 0 388.449 3.092 20 0 GGADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Nc1cc(C)[nH]c1C(=O)[O-] ZINC001595891503 982926220 /nfs/dbraw/zinc/92/62/20/982926220.db2.gz VJRXTXICOUPCSR-UHFFFAOYSA-N -2 0 389.437 3.176 20 0 GGADRL CCCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cnn1-c1ccc(C)cc1 ZINC001596051198 983350647 /nfs/dbraw/zinc/35/06/47/983350647.db2.gz RSBXEECQARKCAD-UHFFFAOYSA-N -2 0 389.433 3.225 20 0 GGADRL CCCc1ccc(CS(=O)(=O)C(C)=C([O-])c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001596064472 983377097 /nfs/dbraw/zinc/37/70/97/983377097.db2.gz HVXQZGKFHWYPKY-AWEZNQCLSA-N -2 0 391.489 3.468 20 0 GGADRL CCCn1ncc([N-]S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])c1C1CC1 ZINC001596120293 983453982 /nfs/dbraw/zinc/45/39/82/983453982.db2.gz HYRAPTOYGUNEFA-UHFFFAOYSA-N -2 0 383.857 3.323 20 0 GGADRL C/C(=C\C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)C(C)(C)C ZINC001588942585 984637247 /nfs/dbraw/zinc/63/72/47/984637247.db2.gz MONPMLHRIASTMN-VQHVLOKHSA-N -2 0 393.383 3.201 20 0 GGADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cc1 ZINC001596724403 984977353 /nfs/dbraw/zinc/97/73/53/984977353.db2.gz HCPMBEVCXDGPJK-UHFFFAOYSA-N -2 0 383.809 3.016 20 0 GGADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC001599948759 985573072 /nfs/dbraw/zinc/57/30/72/985573072.db2.gz RVOBXFCMEONLSV-RISCZKNCSA-N -2 0 377.462 3.119 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)[nH]nc1-c1ccccc1 ZINC001599969321 985975853 /nfs/dbraw/zinc/97/58/53/985975853.db2.gz DZINCCIKRYEWTL-UHFFFAOYSA-N -2 0 393.371 3.162 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]c1-c1ccccc1 ZINC001599969700 985983580 /nfs/dbraw/zinc/98/35/80/985983580.db2.gz QUNLKMWQKMTRLJ-XFXZXTDPSA-N -2 0 383.429 3.284 20 0 GGADRL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)c1 ZINC001589290911 986030674 /nfs/dbraw/zinc/03/06/74/986030674.db2.gz GHPBMSUZOJAFIQ-UHFFFAOYSA-N -2 0 389.838 3.117 20 0 GGADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1C ZINC001589291065 986033804 /nfs/dbraw/zinc/03/38/04/986033804.db2.gz PCBHMDHNHQSTNY-UHFFFAOYSA-N -2 0 385.800 3.489 20 0 GGADRL Cc1c2cccc(C)c2oc1C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001599982265 986179954 /nfs/dbraw/zinc/17/99/54/986179954.db2.gz ZLTMAVFYVHINQV-UHFFFAOYSA-N -2 0 387.413 3.008 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-])O[C@H](C)C2 ZINC001597048389 986509288 /nfs/dbraw/zinc/50/92/88/986509288.db2.gz CPEISZDQXPHVBX-GFCCVEGCSA-N -2 0 391.445 3.216 20 0 GGADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC001597132806 986859315 /nfs/dbraw/zinc/85/93/15/986859315.db2.gz RIKYTLRWRSYXHM-UHFFFAOYSA-N -2 0 383.422 3.193 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C3CC3)s2)cc1C ZINC001597138012 986878402 /nfs/dbraw/zinc/87/84/02/986878402.db2.gz VWEGLSRORRRMFJ-UHFFFAOYSA-N -2 0 382.463 3.227 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C(C)C)s2)cc1C ZINC001597138028 986878950 /nfs/dbraw/zinc/87/89/50/986878950.db2.gz XTJMLRYJLSRIBN-UHFFFAOYSA-N -2 0 384.479 3.473 20 0 GGADRL CCOc1ccc2nc([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])o3)sc2c1 ZINC001597143608 986900174 /nfs/dbraw/zinc/90/01/74/986900174.db2.gz BUHWADGCAFTGFU-UHFFFAOYSA-N -2 0 382.419 3.095 20 0 GGADRL CCOc1ccc2nc([N-]S(=O)(=O)Cc3cccc(C(=O)[O-])c3)sc2c1 ZINC001597143867 986902120 /nfs/dbraw/zinc/90/21/20/986902120.db2.gz MPHYDAOATCNWBS-UHFFFAOYSA-N -2 0 392.458 3.335 20 0 GGADRL CCOc1cccc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)n2)c1 ZINC001597145866 986908155 /nfs/dbraw/zinc/90/81/55/986908155.db2.gz NBCTUHNPDVNZLP-UHFFFAOYSA-N -2 0 399.428 3.041 20 0 GGADRL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(Br)c1[O-])c1ccccc1 ZINC001589462753 986919911 /nfs/dbraw/zinc/91/99/11/986919911.db2.gz SNZSENTUZWMKEF-IINYFYTJSA-N -2 0 378.222 3.347 20 0 GGADRL C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccc(Br)c1[O-])c1ccccc1 ZINC001589462754 986920218 /nfs/dbraw/zinc/92/02/18/986920218.db2.gz SNZSENTUZWMKEF-QMTHXVAHSA-N -2 0 378.222 3.347 20 0 GGADRL C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-])c1ccccc1 ZINC001589469673 986945508 /nfs/dbraw/zinc/94/55/08/986945508.db2.gz NKIYLXDVKKIAPO-SJKOYZFVSA-N -2 0 399.834 3.423 20 0 GGADRL CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC001594710562 987170798 /nfs/dbraw/zinc/17/07/98/987170798.db2.gz PEUBTZMXGKGDOD-UHFFFAOYSA-N -2 0 380.422 3.052 20 0 GGADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1ccccc1 ZINC001589601015 987424578 /nfs/dbraw/zinc/42/45/78/987424578.db2.gz DVNTVHXAFZFLLX-SFHVURJKSA-N -2 0 397.406 3.299 20 0 GGADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2[O-])C1 ZINC001589611832 987469373 /nfs/dbraw/zinc/46/93/73/987469373.db2.gz ACXHIJIYLLEEAN-LBPRGKRZSA-N -2 0 391.855 3.194 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cnn1CC(C)C ZINC001597420133 987731547 /nfs/dbraw/zinc/73/15/47/987731547.db2.gz WNONZZHOAKYCLZ-JXMROGBWSA-N -2 0 377.466 3.000 20 0 GGADRL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1 ZINC001589693856 987770406 /nfs/dbraw/zinc/77/04/06/987770406.db2.gz GTEBKJVGAMKNME-UHFFFAOYSA-N -2 0 382.463 3.232 20 0 GGADRL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cnccc2C(F)(F)F)s1 ZINC001597445911 987820282 /nfs/dbraw/zinc/82/02/82/987820282.db2.gz SSUWBCYNCUAZMB-UHFFFAOYSA-N -2 0 380.369 3.223 20 0 GGADRL CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n1 ZINC001597471512 987935399 /nfs/dbraw/zinc/93/53/99/987935399.db2.gz PSCBBBNHCMLRHV-UHFFFAOYSA-N -2 0 375.450 3.032 20 0 GGADRL CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001589764576 988103709 /nfs/dbraw/zinc/10/37/09/988103709.db2.gz OGJMINCVOLYCLP-UHFFFAOYSA-N -2 0 381.372 3.035 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])c(C)c2C(=O)OC)cc1C ZINC001597556158 988286334 /nfs/dbraw/zinc/28/63/34/988286334.db2.gz JCFAKRWQRFCORR-UHFFFAOYSA-N -2 0 397.474 3.213 20 0 GGADRL CCc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C(=O)[O-])cs2)cc1CC ZINC001597562067 988302815 /nfs/dbraw/zinc/30/28/15/988302815.db2.gz JTHOKTVBDAEGRP-UHFFFAOYSA-N -2 0 382.507 3.431 20 0 GGADRL CSc1ccc(Cl)c(C(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001599815053 988407466 /nfs/dbraw/zinc/40/74/66/988407466.db2.gz URHAQDBYNCTOLV-UHFFFAOYSA-N -2 0 399.877 3.020 20 0 GGADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)n1 ZINC001597604571 988482532 /nfs/dbraw/zinc/48/25/32/988482532.db2.gz PEQZKESSZDRBJV-MRXNPFEDSA-N -2 0 397.406 3.225 20 0 GGADRL CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)n1 ZINC001599823256 988551607 /nfs/dbraw/zinc/55/16/07/988551607.db2.gz JQBYKKPOGZFRIJ-UHFFFAOYSA-N -2 0 376.818 3.095 20 0 GGADRL CCc1[nH]nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1-c1cccs1 ZINC001597644595 988654050 /nfs/dbraw/zinc/65/40/50/988654050.db2.gz CSPNDWTYJZZDHH-UHFFFAOYSA-N -2 0 383.476 3.261 20 0 GGADRL CCc1[nH]nc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1-c1cccs1 ZINC001597645708 988666535 /nfs/dbraw/zinc/66/65/35/988666535.db2.gz XXDCJSQBWGSKBL-UHFFFAOYSA-N -2 0 395.462 3.409 20 0 GGADRL C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cccc(Br)c1[O-] ZINC001599831805 988686261 /nfs/dbraw/zinc/68/62/61/988686261.db2.gz FKIRIIALPJSUIB-NSHDSACASA-N -2 0 378.222 3.270 20 0 GGADRL CCc1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)sc1C(=O)[O-] ZINC001597685586 988838150 /nfs/dbraw/zinc/83/81/50/988838150.db2.gz SJUKMBAQQDNBOK-UHFFFAOYSA-N -2 0 386.398 3.285 20 0 GGADRL CCc1noc2ncc(S(=O)(=O)[N-]c3c(C(=O)[O-])ccc4ccccc43)cc12 ZINC001597754306 989156503 /nfs/dbraw/zinc/15/65/03/989156503.db2.gz GUIQPFQQZRWQBR-UHFFFAOYSA-N -2 0 397.412 3.437 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)c(Cl)ccc1C(=O)[O-] ZINC001597785148 989300014 /nfs/dbraw/zinc/30/00/14/989300014.db2.gz ABCFRFBZRKAUEQ-UHFFFAOYSA-N -3 0 387.797 3.001 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2C)[nH]n1 ZINC001597785963 989308365 /nfs/dbraw/zinc/30/83/65/989308365.db2.gz WEDWUEGSODPNEJ-UHFFFAOYSA-N -2 0 375.406 3.040 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2C)nn1C ZINC001597786188 989309234 /nfs/dbraw/zinc/30/92/34/989309234.db2.gz YMQNQJBRPDDKKH-UHFFFAOYSA-N -2 0 389.433 3.050 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nccs2)c1 ZINC001597790430 989311197 /nfs/dbraw/zinc/31/11/97/989311197.db2.gz BJEGCTMYIPLILL-UHFFFAOYSA-N -2 0 378.431 3.465 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SC(=O)N(C)C)cc1 ZINC001597790481 989312446 /nfs/dbraw/zinc/31/24/46/989312446.db2.gz DLUQVFYAWLNGBJ-UHFFFAOYSA-N -2 0 398.462 3.115 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn([C@@H](C)CC)c1C1CC1 ZINC001597790773 989315474 /nfs/dbraw/zinc/31/54/74/989315474.db2.gz IUCVMPCIJJKDAU-JTQLQIEISA-N -2 0 381.454 3.386 20 0 GGADRL CCn1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cc1C1CC1 ZINC001597947675 989941421 /nfs/dbraw/zinc/94/14/21/989941421.db2.gz RULMGOKPZSOPFW-UHFFFAOYSA-N -2 0 387.820 3.072 20 0 GGADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)c(O)c1 ZINC001590492972 990093575 /nfs/dbraw/zinc/09/35/75/990093575.db2.gz IBZJPXAOIFZNCN-UHFFFAOYSA-N -2 0 381.425 3.257 20 0 GGADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cc2F)s1 ZINC001590498264 990107076 /nfs/dbraw/zinc/10/70/76/990107076.db2.gz UZVITXZRXNUADD-UHFFFAOYSA-N -2 0 385.438 3.002 20 0 GGADRL CC(C)(C)c1coc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)n1 ZINC001590527321 990142651 /nfs/dbraw/zinc/14/26/51/990142651.db2.gz YMKVTTLUVBRGBG-UHFFFAOYSA-N -2 0 376.793 3.264 20 0 GGADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc(F)c(F)c2)sc1C(=O)[O-] ZINC001590545865 990185521 /nfs/dbraw/zinc/18/55/21/990185521.db2.gz SEZWMGGLSJJWER-UHFFFAOYSA-N -2 0 376.406 3.218 20 0 GGADRL CN(C(=O)c1cc(Br)c(F)cc1[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001598072603 990370905 /nfs/dbraw/zinc/37/09/05/990370905.db2.gz ASOMZUZTQVYBOY-UHFFFAOYSA-N -2 0 398.184 3.034 20 0 GGADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1ccccc1Sc1ccccc1)C(=O)[O-] ZINC001590799529 990630293 /nfs/dbraw/zinc/63/02/93/990630293.db2.gz ZRETYHLGPGFDPG-UHFFFAOYSA-N -2 0 393.486 3.008 20 0 GGADRL CC(C)(CS(=O)(=O)[N-]c1cc(Cl)ccc1OCC(F)(F)F)C(=O)[O-] ZINC001590820294 990654317 /nfs/dbraw/zinc/65/43/17/990654317.db2.gz QOTMKJQQBRZIKY-UHFFFAOYSA-N -2 0 389.779 3.134 20 0 GGADRL COc1cccc([C@H](NC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C(=O)[O-])c1 ZINC001599687078 991004762 /nfs/dbraw/zinc/00/47/62/991004762.db2.gz SAVMNQICETXCMW-IBGZPJMESA-N -2 0 395.367 3.029 20 0 GGADRL CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001591058077 991471399 /nfs/dbraw/zinc/47/13/99/991471399.db2.gz MJXYEQDHTXVYPI-LJQANCHMSA-N -2 0 389.473 3.161 20 0 GGADRL CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC001591058639 991475499 /nfs/dbraw/zinc/47/54/99/991475499.db2.gz SCQKYCAQUILNAS-LJQANCHMSA-N -2 0 389.473 3.161 20 0 GGADRL CC(C)C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC001591121427 991795023 /nfs/dbraw/zinc/79/50/23/991795023.db2.gz VUIBCVBNITZEHB-SFHVURJKSA-N -2 0 389.473 3.161 20 0 GGADRL CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC001591428879 992520230 /nfs/dbraw/zinc/52/02/30/992520230.db2.gz RPPCQIAZVOMELO-ZDUSSCGKSA-N -2 0 399.369 3.168 20 0 GGADRL CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccccc2C(=O)[O-])cc1 ZINC001591488892 992617772 /nfs/dbraw/zinc/61/77/72/992617772.db2.gz JRINEJKPJXJWBT-UHFFFAOYSA-N -2 0 389.473 3.021 20 0 GGADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001598538014 992863564 /nfs/dbraw/zinc/86/35/64/992863564.db2.gz XPDRNWXROAGWGJ-UHFFFAOYSA-N -2 0 394.359 3.037 20 0 GGADRL COc1ccc(NC(=O)c2cc(Br)cc(F)c2[O-])c(C(=O)[O-])c1 ZINC001599594108 993726669 /nfs/dbraw/zinc/72/66/69/993726669.db2.gz SHVRBKDDGIYJBV-UHFFFAOYSA-N -2 0 384.157 3.253 20 0 GGADRL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(=O)[O-])c1 ZINC001599606305 993890063 /nfs/dbraw/zinc/89/00/63/993890063.db2.gz CQVHWCSQIHLNLA-UHFFFAOYSA-N -2 0 379.434 3.326 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(C(=O)[O-])c2)c(F)c1 ZINC001599616989 994028327 /nfs/dbraw/zinc/02/83/27/994028327.db2.gz XBOVCESFSMLLLW-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])c(Br)c1 ZINC001599617897 994042117 /nfs/dbraw/zinc/04/21/17/994042117.db2.gz LPKPPEHSQLYVES-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC001599652941 994533637 /nfs/dbraw/zinc/53/36/37/994533637.db2.gz DJMLUDAYSXBIEJ-GOSISDBHSA-N -2 0 381.787 3.313 20 0 GGADRL C[C@]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)(c1ccccc1)C(F)(F)F ZINC001593337435 994921902 /nfs/dbraw/zinc/92/19/02/994921902.db2.gz LOHGVXWGFZOETK-INIZCTEOSA-N -2 0 387.379 3.070 20 0 GGADRL C[C@]1(C(=O)[O-])CCN(Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC001593797163 996514405 /nfs/dbraw/zinc/51/44/05/996514405.db2.gz IGBCICNAVDEYFY-ZDUSSCGKSA-N -2 0 393.075 3.214 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1N(C)C(C)C ZINC001599383364 996898849 /nfs/dbraw/zinc/89/88/49/996898849.db2.gz BXZDAJUETJGEDZ-UHFFFAOYSA-N -2 0 378.450 3.039 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc2c(s1)CCCCCC2 ZINC001599383418 996899044 /nfs/dbraw/zinc/89/90/44/996899044.db2.gz DLOBLLZMUXFISN-UHFFFAOYSA-N -2 0 396.490 3.310 20 0 GGADRL COCc1cc(Cl)cc(S(=O)(=O)[N-]c2c(C)csc2C(=O)[O-])c1 ZINC001599282040 996908389 /nfs/dbraw/zinc/90/83/89/996908389.db2.gz GATGAYXCNGLVQP-UHFFFAOYSA-N -2 0 375.855 3.355 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2nc(C)co2)c1 ZINC001599384217 996915505 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COc1cc(S(=O)(=O)[N-]c2nc3c(cccc3Cl)s2)ccc1C(=O)[O-] ZINC001599459966 998255407 /nfs/dbraw/zinc/25/54/07/998255407.db2.gz QXVCTSSJDJXFME-UHFFFAOYSA-N -2 0 398.849 3.457 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)[nH]n2)ccc1C(=O)[O-] ZINC001599460163 998259255 /nfs/dbraw/zinc/25/92/55/998259255.db2.gz UAFPEUIIBDXSKM-UHFFFAOYSA-N -2 0 393.465 3.040 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])cnc1Cl ZINC001599460202 998259765 /nfs/dbraw/zinc/25/97/65/998259765.db2.gz UWPOGJNXBAYRFL-UHFFFAOYSA-N -2 0 392.820 3.396 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)ccc1C(=O)[O-] ZINC001599460268 998261157 /nfs/dbraw/zinc/26/11/57/998261157.db2.gz XGRCNSUOKIPVAI-UHFFFAOYSA-N -2 0 392.820 3.396 20 0 GGADRL COc1cc(C(=O)[O-])cc(NC(=O)c2cccc(C(F)(F)F)c2[O-])c1OC ZINC001599361276 998265650 /nfs/dbraw/zinc/26/56/50/998265650.db2.gz FGHRUYIKVYBPFB-UHFFFAOYSA-N -2 0 385.294 3.379 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)ccc1C(=O)[O-] ZINC001599460964 998272288 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ZINC001594355946 999342761 /nfs/dbraw/zinc/34/27/61/999342761.db2.gz NYJOHHZIHIRTLY-SWLSCSKDSA-N -2 0 393.465 3.004 20 0 GGADRL C[C@@H]1CCc2nc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3Cl)sc2C1 ZINC001594450278 999646648 /nfs/dbraw/zinc/64/66/48/999646648.db2.gz CWWXEKRLIJXPEI-MRVPVSSYSA-N -2 0 386.882 3.420 20 0 GGADRL Cc1ccc(Br)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000037055177 210018062 /nfs/dbraw/zinc/01/80/62/210018062.db2.gz FSXDHMYXRFKQKZ-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000032833714 211941677 /nfs/dbraw/zinc/94/16/77/211941677.db2.gz ZFCYEBIRMNSZPA-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000097591217 211366549 /nfs/dbraw/zinc/36/65/49/211366549.db2.gz FAIZROBLYNRAEQ-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000084257677 211167502 /nfs/dbraw/zinc/16/75/02/211167502.db2.gz NCRWNCXBEBODRY-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c1C ZINC000078877916 211149166 /nfs/dbraw/zinc/14/91/66/211149166.db2.gz GNRWKFFRNDFDOU-UHFFFAOYSA-N -2 0 392.264 3.326 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)c1 ZINC000078564564 211146727 /nfs/dbraw/zinc/14/67/27/211146727.db2.gz HKMOPQMBVWGZDH-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c1 ZINC000066585734 211004529 /nfs/dbraw/zinc/00/45/29/211004529.db2.gz WOJBGPUUAXRONY-UHFFFAOYSA-N -2 0 383.838 3.086 20 0 GGADRL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000058381115 210918793 /nfs/dbraw/zinc/91/87/93/210918793.db2.gz ATFGCYAEYRXZJB-UHFFFAOYSA-N -2 0 381.837 3.336 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2csc(-c3ccc(F)cc3)n2)c1 ZINC000058367996 210918085 /nfs/dbraw/zinc/91/80/85/210918085.db2.gz ORIRHCYDFNMESK-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)s2)c(F)cc1F ZINC000037591774 210294932 /nfs/dbraw/zinc/29/49/32/210294932.db2.gz JPXGXMJHYYPCBG-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C(=O)[O-])c2)s1 ZINC000058438698 136155461 /nfs/dbraw/zinc/15/54/61/136155461.db2.gz FKURSANQSHHYMY-UHFFFAOYSA-N -2 0 398.531 3.109 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2F)cc(C(F)(F)F)c1 ZINC000072071401 222204000 /nfs/dbraw/zinc/20/40/00/222204000.db2.gz QIWZYNIVZBUWOK-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000122151198 564402724 /nfs/dbraw/zinc/40/27/24/564402724.db2.gz ITPCNXNEYBFMAC-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000012605440 564269686 /nfs/dbraw/zinc/26/96/86/564269686.db2.gz LARULTLFZOXMIN-UHFFFAOYSA-N -2 0 375.324 3.213 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1C(F)(F)F ZINC000120319851 564314832 /nfs/dbraw/zinc/31/48/32/564314832.db2.gz IKJMCDFNSDKCFQ-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000029185912 564368354 /nfs/dbraw/zinc/36/83/54/564368354.db2.gz XGMADWXTWGUHGR-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c(Br)s1 ZINC000032586145 564402098 /nfs/dbraw/zinc/40/20/98/564402098.db2.gz AASFZZFDNTUVEO-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)cc1 ZINC000032585563 564402454 /nfs/dbraw/zinc/40/24/54/564402454.db2.gz XCKJTVKDDSZAAB-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1nccc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2)n1 ZINC000032592462 564402583 /nfs/dbraw/zinc/40/25/83/564402583.db2.gz GMHSEWCVVQDRPM-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000040155211 564427382 /nfs/dbraw/zinc/42/73/82/564427382.db2.gz LUYNLRPYHYWBMF-UHFFFAOYSA-N -2 0 390.244 3.430 20 0 GGADRL CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000042792466 564449425 /nfs/dbraw/zinc/44/94/25/564449425.db2.gz LLTDQTLGENJKHD-UHFFFAOYSA-N -2 0 382.463 3.212 20 0 GGADRL CCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1F ZINC000123820403 564462404 /nfs/dbraw/zinc/46/24/04/564462404.db2.gz QASMZHNESPQRFU-UHFFFAOYSA-N -2 0 386.470 3.005 20 0 GGADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000124663360 564489666 /nfs/dbraw/zinc/48/96/66/564489666.db2.gz LGFGQAZKZNRPQN-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)sc1C(=O)[O-] ZINC000048382645 564538034 /nfs/dbraw/zinc/53/80/34/564538034.db2.gz OMKMWOMSZJUKEA-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)sc1C(=O)[O-] ZINC000048382691 564538504 /nfs/dbraw/zinc/53/85/04/564538504.db2.gz LUDHCFADBFZTHT-UHFFFAOYSA-N -2 0 380.447 3.238 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2sccc2Br)c(C(=O)[O-])c1 ZINC000049060816 564548661 /nfs/dbraw/zinc/54/86/61/564548661.db2.gz BCLFLCXYRDECDC-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL COc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000052471839 564572560 /nfs/dbraw/zinc/57/25/60/564572560.db2.gz DZSKMQGVWGLVCC-UHFFFAOYSA-N -2 0 375.324 3.213 20 0 GGADRL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000054795414 564609380 /nfs/dbraw/zinc/60/93/80/564609380.db2.gz IWVDUGOVHYWYBD-UHFFFAOYSA-N -2 0 390.200 3.191 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000057351086 564666052 /nfs/dbraw/zinc/66/60/52/564666052.db2.gz CCPFSAWMLWLHOQ-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)sc1C(=O)[O-] ZINC000130396837 564680436 /nfs/dbraw/zinc/68/04/36/564680436.db2.gz YCQGGZIWXDDTHZ-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000058495264 564684336 /nfs/dbraw/zinc/68/43/36/564684336.db2.gz LVHJVYXPNSZUJZ-UHFFFAOYSA-N -2 0 382.825 3.106 20 0 GGADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000058495234 564684694 /nfs/dbraw/zinc/68/46/94/564684694.db2.gz PVHDNNNVXUAAAR-UHFFFAOYSA-N -2 0 382.825 3.106 20 0 GGADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1[N+](=O)[O-] ZINC000060707112 564701390 /nfs/dbraw/zinc/70/13/90/564701390.db2.gz WQKKVAJZULJGRM-UHFFFAOYSA-N -2 0 388.760 3.195 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2sccc2Br)c(F)c1 ZINC000063009537 564713366 /nfs/dbraw/zinc/71/33/66/564713366.db2.gz VQIUZUMOPDBBKY-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1C(=O)[O-] ZINC000063180386 564714234 /nfs/dbraw/zinc/71/42/34/564714234.db2.gz XAVYAYSXOLLMRQ-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL O=S(=O)(CCC1CC1)[N-]c1ccccc1S(=O)(=O)[N-]c1ccccc1 ZINC000133145368 564764897 /nfs/dbraw/zinc/76/48/97/564764897.db2.gz OZFIEZYSLRDLGV-UHFFFAOYSA-N -2 0 380.491 3.029 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)ccc1Cl ZINC000067124863 564785246 /nfs/dbraw/zinc/78/52/46/564785246.db2.gz YSKKIMGCJXLTLN-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)ccc1Cl ZINC000067952367 564804159 /nfs/dbraw/zinc/80/41/59/564804159.db2.gz AARZTRILQHPCLR-UHFFFAOYSA-N -2 0 388.854 3.167 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c1 ZINC000135356591 564828903 /nfs/dbraw/zinc/82/89/03/564828903.db2.gz DXZLJPKDVCJACQ-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1Br ZINC000070156457 564849371 /nfs/dbraw/zinc/84/93/71/564849371.db2.gz KWLKQZBBFJVDLP-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)sc1Br ZINC000149476199 564886020 /nfs/dbraw/zinc/88/60/20/564886020.db2.gz XPGTWIUTSSOQFB-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1Br ZINC000152284823 564953343 /nfs/dbraw/zinc/95/33/43/564953343.db2.gz UGZCFTDMIUIYQW-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000154461611 565039714 /nfs/dbraw/zinc/03/97/14/565039714.db2.gz ISUORANZQSMGDQ-UHFFFAOYSA-N -2 0 388.214 3.016 20 0 GGADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000155529597 565068633 /nfs/dbraw/zinc/06/86/33/565068633.db2.gz YVFLNQGHRKCXLZ-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000155534310 565068665 /nfs/dbraw/zinc/06/86/65/565068665.db2.gz FPGFXUXYARYYFT-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000157131849 565120377 /nfs/dbraw/zinc/12/03/77/565120377.db2.gz VORJGLVVSYFTIB-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c1Br ZINC000185570578 565208624 /nfs/dbraw/zinc/20/86/24/565208624.db2.gz AKJINPXDVDOZEB-UHFFFAOYSA-N -2 0 384.251 3.185 20 0 GGADRL O=S(=O)([N-]c1ccc(-c2nc(CC3CC3)no2)c([O-])c1)c1cccs1 ZINC000273376419 565318901 /nfs/dbraw/zinc/31/89/01/565318901.db2.gz FBOCGORCRQEELL-UHFFFAOYSA-N -2 0 377.447 3.257 20 0 GGADRL COc1cc(Br)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000168856579 565382259 /nfs/dbraw/zinc/38/22/59/565382259.db2.gz OHOVQKXVFLKBME-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL CC(C)[C@H](C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O ZINC000298375660 565411323 /nfs/dbraw/zinc/41/13/23/565411323.db2.gz GBQITAKMWVEPAA-LBPRGKRZSA-N -2 0 382.507 3.371 20 0 GGADRL CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000393155305 565568418 /nfs/dbraw/zinc/56/84/18/565568418.db2.gz JUXGTFRTJIHWGY-UHFFFAOYSA-N -2 0 383.809 3.016 20 0 GGADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000393094334 565568951 /nfs/dbraw/zinc/56/89/51/565568951.db2.gz LFOASZSFRDYABR-UHFFFAOYSA-N -2 0 375.324 3.213 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000278743621 565575240 /nfs/dbraw/zinc/57/52/40/565575240.db2.gz WEMVNYIDNIHYGN-UHFFFAOYSA-N -2 0 383.447 3.140 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c(Br)c1 ZINC000314140950 565585890 /nfs/dbraw/zinc/58/58/90/565585890.db2.gz PJXDWXVZLLLXSN-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)cc1F ZINC000314178875 565586438 /nfs/dbraw/zinc/58/64/38/565586438.db2.gz WNAOHUXYXBOZQF-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000315005684 565589023 /nfs/dbraw/zinc/58/90/23/565589023.db2.gz FBLIZMZMVQPQFE-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c1C(=O)[O-] ZINC000316010057 565591480 /nfs/dbraw/zinc/59/14/80/565591480.db2.gz RWBKSWYVDJNPHF-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)c(C(=O)[O-])cc1OC ZINC000326326921 565623667 /nfs/dbraw/zinc/62/36/67/565623667.db2.gz WWGJZIAWFQYXFQ-UHFFFAOYSA-N -2 0 391.854 3.226 20 0 GGADRL O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cc(Br)cc(Cl)c1[O-] ZINC000174247114 565623986 /nfs/dbraw/zinc/62/39/86/565623986.db2.gz AQVGTFITRSZMFR-UHFFFAOYSA-N -2 0 394.616 3.241 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000327320971 565629329 /nfs/dbraw/zinc/62/93/29/565629329.db2.gz QYZVSZUWKJARJU-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(C(=O)[O-])c1 ZINC000327282093 565629408 /nfs/dbraw/zinc/62/94/08/565629408.db2.gz JOTCTEMEDMEPNL-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000327251354 565629526 /nfs/dbraw/zinc/62/95/26/565629526.db2.gz YSDXYFRZFMXYBO-UHFFFAOYSA-N -2 0 375.324 3.013 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)ccc1F ZINC000327377268 565629556 /nfs/dbraw/zinc/62/95/56/565629556.db2.gz NJIQTBCYEAOCEM-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1-n1cccn1 ZINC000327251442 565629633 /nfs/dbraw/zinc/62/96/33/565629633.db2.gz ACOGFRGXGPCVGI-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(OC)cc1Cl ZINC000327683000 565632202 /nfs/dbraw/zinc/63/22/02/565632202.db2.gz OHRFWSIAIQADSO-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)c(Cl)c1 ZINC000327892843 565632971 /nfs/dbraw/zinc/63/29/71/565632971.db2.gz CAHWSKGXUSVFHV-UHFFFAOYSA-N -2 0 391.735 3.161 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c(Cl)c1 ZINC000328030785 565634382 /nfs/dbraw/zinc/63/43/82/565634382.db2.gz PACMJWUNNYJBRR-UHFFFAOYSA-N -2 0 378.793 3.494 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000191879008 565639464 /nfs/dbraw/zinc/63/94/64/565639464.db2.gz HZWHXGMWBYWBFS-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cccc(Br)c2F)cccc1C(=O)[O-] ZINC000410371112 565679226 /nfs/dbraw/zinc/67/92/26/565679226.db2.gz JJCDYIBWYHBJPA-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000410356771 565679476 /nfs/dbraw/zinc/67/94/76/565679476.db2.gz XELQUZYGWWFTIK-UHFFFAOYSA-N -2 0 388.214 3.016 20 0 GGADRL O=C([O-])C1(CNS(=O)(=O)c2ccc(Cl)c(Br)c2)CCCC1 ZINC000236424817 565938177 /nfs/dbraw/zinc/93/81/77/565938177.db2.gz FHILDGYVSVOULZ-UHFFFAOYSA-N -2 0 396.690 3.026 20 0 GGADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000181681578 566158664 /nfs/dbraw/zinc/15/86/64/566158664.db2.gz WLZMHRKBRUNOBD-UHFFFAOYSA-N -2 0 385.873 3.308 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2nccc2C)sc1C(=O)[O-] ZINC000181788526 566165433 /nfs/dbraw/zinc/16/54/33/566165433.db2.gz REIXURXKNSVLJR-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL O=C([O-])CCCCCNC(=O)N=c1nc(SCc2ccccc2)[n-]s1 ZINC000417761945 566174409 /nfs/dbraw/zinc/17/44/09/566174409.db2.gz KYFCPPFXSCZPRK-UHFFFAOYSA-N -2 0 380.495 3.019 20 0 GGADRL Cc1ccc(Sc2nc(=NC(=O)NCCCCCC(=O)[O-])s[n-]2)cc1 ZINC000417781689 566176014 /nfs/dbraw/zinc/17/60/14/566176014.db2.gz WSBRUXFIHMOFTQ-UHFFFAOYSA-N -2 0 380.495 3.186 20 0 GGADRL Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(C2CC2)n1 ZINC000291176148 566207659 /nfs/dbraw/zinc/20/76/59/566207659.db2.gz SDZIJGMXYCZSRW-UHFFFAOYSA-N -2 0 390.248 3.103 20 0 GGADRL CCn1nc(C)c([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1C ZINC000265996564 566244426 /nfs/dbraw/zinc/24/44/26/566244426.db2.gz CGPCRPUNMFUAKC-UHFFFAOYSA-N -2 0 392.264 3.326 20 0 GGADRL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(Br)cc(Cl)c1[O-] ZINC000534899470 566264300 /nfs/dbraw/zinc/26/43/00/566264300.db2.gz BHBBXPLINBAWAN-VIFPVBQESA-N -2 0 384.679 3.119 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C)ccc2Cl)c(C(=O)[O-])c1 ZINC000535025265 566271885 /nfs/dbraw/zinc/27/18/85/566271885.db2.gz BKRZRPWKDIDGRT-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL COC(=O)C1(CS(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2[O-])CCCC1 ZINC000575632871 566279012 /nfs/dbraw/zinc/27/90/12/566279012.db2.gz OQGBRYKEBNEMNK-UHFFFAOYSA-N -2 0 382.265 3.174 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2scnc2C2CC2)c(Cl)cc1C(=O)[O-] ZINC000535684731 566318842 /nfs/dbraw/zinc/31/88/42/566318842.db2.gz BVLPFPSHEDXLNG-UHFFFAOYSA-N -2 0 388.854 3.182 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)cc1F ZINC000535780606 566325580 /nfs/dbraw/zinc/32/55/80/566325580.db2.gz NVSBIJZXCWEXIJ-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000446619753 566357068 /nfs/dbraw/zinc/35/70/68/566357068.db2.gz IZWJOAWQUBVUMQ-UHFFFAOYSA-N -2 0 381.475 3.235 20 0 GGADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000446625026 566359025 /nfs/dbraw/zinc/35/90/25/566359025.db2.gz QEGUPYGUASABNJ-UHFFFAOYSA-N -2 0 379.463 3.421 20 0 GGADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(F)F)c1 ZINC000446632850 566359148 /nfs/dbraw/zinc/35/91/48/566359148.db2.gz VUSQACLWFAIJDX-UHFFFAOYSA-N -2 0 393.437 3.006 20 0 GGADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000446623913 566359860 /nfs/dbraw/zinc/35/98/60/566359860.db2.gz MCXVFXDRMFOOFP-UHFFFAOYSA-N -2 0 383.447 3.243 20 0 GGADRL O=C([O-])COc1ccc(/C=C/c2ncc(C(=O)[O-])s2)cc1Br ZINC000463044976 566378552 /nfs/dbraw/zinc/37/85/52/566378552.db2.gz UZWJLSVUZVPGQY-DUXPYHPUSA-N -2 0 384.207 3.238 20 0 GGADRL Cc1c(Cl)cncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000649648550 566381834 /nfs/dbraw/zinc/38/18/34/566381834.db2.gz FEUJUEZMHJOPOA-UHFFFAOYSA-N -2 0 380.853 3.421 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc(OC)c1C(C)C ZINC000484084406 566415997 /nfs/dbraw/zinc/41/59/97/566415997.db2.gz WUXHGWBHUQEOPZ-UHFFFAOYSA-N -2 0 385.463 3.388 20 0 GGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1OC ZINC000447781393 566428177 /nfs/dbraw/zinc/42/81/77/566428177.db2.gz BVEXZDOXSJOMCI-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000484481090 566431177 /nfs/dbraw/zinc/43/11/77/566431177.db2.gz SWISIXVDIJMMBK-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2csc(-c3ccccc3)n2)c1 ZINC000671663234 566434742 /nfs/dbraw/zinc/43/47/42/566434742.db2.gz IXNFUMDSOBTMLX-UHFFFAOYSA-N -2 0 376.415 3.015 20 0 GGADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)s1 ZINC000484546066 566434995 /nfs/dbraw/zinc/43/49/95/566434995.db2.gz PYKWNHNXNAMJEK-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)c(Cl)cc1F ZINC000484576507 566437788 /nfs/dbraw/zinc/43/77/88/566437788.db2.gz QVHYSKJTNZWFPV-UHFFFAOYSA-N -2 0 387.772 3.015 20 0 GGADRL Cn1ccnc1Sc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000511130901 566440866 /nfs/dbraw/zinc/44/08/66/566440866.db2.gz MBJHRKGYQKTUPE-UHFFFAOYSA-N -2 0 395.487 3.132 20 0 GGADRL O=C([O-])CCCCCS(=O)(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000577510326 566442022 /nfs/dbraw/zinc/44/20/22/566442022.db2.gz VFPNMUCIJPUKHV-CYBMUJFWSA-N -2 0 389.342 3.133 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)cs1 ZINC000511193870 566443650 /nfs/dbraw/zinc/44/36/50/566443650.db2.gz PRLGSFZPHKZTJR-UHFFFAOYSA-N -2 0 376.415 3.434 20 0 GGADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1C(=O)[O-] ZINC000484784061 566455338 /nfs/dbraw/zinc/45/53/38/566455338.db2.gz JBGOXPJTVODAJJ-UHFFFAOYSA-N -2 0 398.531 3.109 20 0 GGADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000484936847 566465206 /nfs/dbraw/zinc/46/52/06/566465206.db2.gz NUSWWVQCTYKENQ-UHFFFAOYSA-N -2 0 381.353 3.275 20 0 GGADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000484967199 566466672 /nfs/dbraw/zinc/46/66/72/566466672.db2.gz DTMAJJCSJIRAPJ-UHFFFAOYSA-N -2 0 387.816 3.306 20 0 GGADRL CCOc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1Cl ZINC000464538728 566483343 /nfs/dbraw/zinc/48/33/43/566483343.db2.gz QUNWIVDSWDVCGN-UHFFFAOYSA-N -2 0 393.248 3.230 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c(C)c1 ZINC000485277766 566487422 /nfs/dbraw/zinc/48/74/22/566487422.db2.gz QEZJCHLNNPZDNO-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1 ZINC000485281471 566488226 /nfs/dbraw/zinc/48/82/26/566488226.db2.gz BYURHRZFWHHXCA-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)ccc1F ZINC000485383006 566491926 /nfs/dbraw/zinc/49/19/26/566491926.db2.gz RUSQTISSEJBUOO-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL Cn1ncc(Cl)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000485395257 566494010 /nfs/dbraw/zinc/49/40/10/566494010.db2.gz DBXDNISMSXIVLH-UHFFFAOYSA-N -2 0 397.865 3.301 20 0 GGADRL O=C([O-])COc1ccc(/C=C/c2nc(C(=O)[O-])c(Br)s2)cc1 ZINC000486010092 566548195 /nfs/dbraw/zinc/54/81/95/566548195.db2.gz VMSHTENWAYFSBK-ZZXKWVIFSA-N -2 0 384.207 3.238 20 0 GGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC000512742393 566554052 /nfs/dbraw/zinc/55/40/52/566554052.db2.gz NOIAOOHSUPVGNT-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)c1 ZINC000512761950 566555922 /nfs/dbraw/zinc/55/59/22/566555922.db2.gz LIDHNDWBGRNINH-UHFFFAOYSA-N -2 0 386.832 3.353 20 0 GGADRL Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc2)n1 ZINC000604305365 566559800 /nfs/dbraw/zinc/55/98/00/566559800.db2.gz SAAFZTOLJTWOFP-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000605651099 566616712 /nfs/dbraw/zinc/61/67/12/566616712.db2.gz HKOATWOOVNCFRL-UHFFFAOYSA-N -2 0 394.396 3.332 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2cc(F)ccc2SCC(F)F)cc1C(=O)[O-] ZINC000606343574 566627969 /nfs/dbraw/zinc/62/79/69/566627969.db2.gz MCJZDLCVFAEJEU-UHFFFAOYSA-N -2 0 394.396 3.020 20 0 GGADRL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000675285691 566636831 /nfs/dbraw/zinc/63/68/31/566636831.db2.gz WOXXPTQVTXYORO-LLVKDONJSA-N -2 0 377.447 3.053 20 0 GGADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1OC ZINC000467331421 566642493 /nfs/dbraw/zinc/64/24/93/566642493.db2.gz SZGTXQLMBPUSSR-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1OC ZINC000629330962 566645581 /nfs/dbraw/zinc/64/55/81/566645581.db2.gz GLNAXWYKVIBIJI-UHFFFAOYSA-N -2 0 385.463 3.353 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000629338211 566645630 /nfs/dbraw/zinc/64/56/30/566645630.db2.gz DBCSVJMFYKDLRM-LLVKDONJSA-N -2 0 387.866 3.074 20 0 GGADRL O=C([O-])CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Br)s1 ZINC000579922214 566651357 /nfs/dbraw/zinc/65/13/57/566651357.db2.gz CLTJVIRJLFYYIX-UWVGGRQHSA-N -2 0 396.328 3.213 20 0 GGADRL COc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1Cl ZINC000467751705 566660949 /nfs/dbraw/zinc/66/09/49/566660949.db2.gz HQHYKCQZUHMTEA-UHFFFAOYSA-N -2 0 380.205 3.402 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(O)c1 ZINC000467762450 566662134 /nfs/dbraw/zinc/66/21/34/566662134.db2.gz MQWSXNFDNVYAOA-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000467755847 566662770 /nfs/dbraw/zinc/66/27/70/566662770.db2.gz BOZQWLZSCCJURU-UHFFFAOYSA-N -2 0 382.419 3.014 20 0 GGADRL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl)C(F)(F)F ZINC000580081434 566663509 /nfs/dbraw/zinc/66/35/09/566663509.db2.gz OOTHLAZRVRQUNA-RXMQYKEDSA-N -2 0 398.161 3.064 20 0 GGADRL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(F)F ZINC000580361055 566686250 /nfs/dbraw/zinc/68/62/50/566686250.db2.gz RNAZWKOIRBQRHG-YFKPBYRVSA-N -2 0 396.626 3.281 20 0 GGADRL CC(C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000515565729 566720950 /nfs/dbraw/zinc/72/09/50/566720950.db2.gz UAPIVURNWKIHKT-UHFFFAOYSA-N -2 0 385.825 3.332 20 0 GGADRL Cc1csc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C(=O)[O-])c1 ZINC000451006370 566734057 /nfs/dbraw/zinc/73/40/57/566734057.db2.gz ZGFBIOUMSMPCJO-UHFFFAOYSA-N -2 0 398.531 3.109 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2O)c(F)c1 ZINC000541796049 566749802 /nfs/dbraw/zinc/74/98/02/566749802.db2.gz PZMLRGNYPPLUEO-UHFFFAOYSA-N -2 0 380.180 3.337 20 0 GGADRL O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1cc(Cl)cc(Br)c1[O-])C2 ZINC000516181634 566750374 /nfs/dbraw/zinc/75/03/74/566750374.db2.gz OFDWVTILVXQBIS-VXJOIVPMSA-N -2 0 388.645 3.135 20 0 GGADRL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000677996648 566775720 /nfs/dbraw/zinc/77/57/20/566775720.db2.gz PHRWGDCRTQUYHT-UHFFFAOYSA-N -2 0 385.873 3.006 20 0 GGADRL Cc1oc(S(=O)(=O)[N-][C@@H](c2cccc(C)c2)C(F)(F)F)cc1C(=O)[O-] ZINC000581486629 566782045 /nfs/dbraw/zinc/78/20/45/566782045.db2.gz VLGOIDVKGAGTIA-ZDUSSCGKSA-N -2 0 377.340 3.177 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC000489350844 566783024 /nfs/dbraw/zinc/78/30/24/566783024.db2.gz GCVJINTYCGJYKI-UHFFFAOYSA-N -2 0 379.287 3.223 20 0 GGADRL CSc1c(F)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1F ZINC000542237028 566785195 /nfs/dbraw/zinc/78/51/95/566785195.db2.gz SGKHRCKGDYRQSD-UHFFFAOYSA-N -2 0 377.365 3.325 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c(Cl)c1 ZINC000489576949 566796040 /nfs/dbraw/zinc/79/60/40/566796040.db2.gz KLACWKOXQNCYMB-UHFFFAOYSA-N -2 0 379.821 3.358 20 0 GGADRL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489722563 566805037 /nfs/dbraw/zinc/80/50/37/566805037.db2.gz ZPTFUBZMSPXMPQ-UHFFFAOYSA-N -2 0 382.825 3.106 20 0 GGADRL CC(C)c1nc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1C ZINC000562645097 566809990 /nfs/dbraw/zinc/80/99/90/566809990.db2.gz YUHXJMHIVDPLFZ-UHFFFAOYSA-N -2 0 392.264 3.349 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000543166419 566858915 /nfs/dbraw/zinc/85/89/15/566858915.db2.gz QYQGOWHOEQZEKP-SECBINFHSA-N -2 0 383.447 3.134 20 0 GGADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c1 ZINC000470447642 566873408 /nfs/dbraw/zinc/87/34/08/566873408.db2.gz CKFZMVIKWIQWPG-UHFFFAOYSA-N -2 0 379.287 3.065 20 0 GGADRL Cc1ccc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)C(F)(F)F)o1 ZINC000656181539 566881774 /nfs/dbraw/zinc/88/17/74/566881774.db2.gz TUIKVHXTCCKHOA-ZDUSSCGKSA-N -2 0 377.340 3.177 20 0 GGADRL Cc1ccc([C@H]([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])C(F)(F)F)o1 ZINC000656181146 566881780 /nfs/dbraw/zinc/88/17/80/566881780.db2.gz PPMACRXEOSCOOR-ZDUSSCGKSA-N -2 0 377.340 3.177 20 0 GGADRL Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc(C(=O)[O-])c1C ZINC000471125552 566930760 /nfs/dbraw/zinc/93/07/60/566930760.db2.gz STGMYJHRZRZZES-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000471131858 566932060 /nfs/dbraw/zinc/93/20/60/566932060.db2.gz STSOMGODPNMXGF-UHFFFAOYSA-N -2 0 391.779 3.434 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)c(Cl)cc1C(=O)[O-] ZINC000680809793 566932676 /nfs/dbraw/zinc/93/26/76/566932676.db2.gz PEMPMGGRBPXIKM-UHFFFAOYSA-N -2 0 385.825 3.170 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2cc(F)c(SC)c(F)c2)cc1C(=O)[O-] ZINC000544096953 566937020 /nfs/dbraw/zinc/93/70/20/566937020.db2.gz UCZIXZULWTYWBA-UHFFFAOYSA-N -2 0 376.406 3.007 20 0 GGADRL CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1F ZINC000544096455 566937497 /nfs/dbraw/zinc/93/74/97/566937497.db2.gz NLBAYURRYQANLX-UHFFFAOYSA-N -2 0 377.390 3.313 20 0 GGADRL COc1ccc(OCCCS(=O)(=O)[N-]c2cc(F)cc(Cl)c2[O-])cc1 ZINC000681131420 566952547 /nfs/dbraw/zinc/95/25/47/566952547.db2.gz AOACYMWTHDVRDZ-UHFFFAOYSA-N -2 0 389.832 3.404 20 0 GGADRL CC(C)c1nc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])c[nH]1 ZINC000681556503 566984667 /nfs/dbraw/zinc/98/46/67/566984667.db2.gz YAWKTMCXWNDVQE-UHFFFAOYSA-N -2 0 377.344 3.051 20 0 GGADRL COc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000471964390 566990352 /nfs/dbraw/zinc/99/03/52/566990352.db2.gz IUMHXJLPKJUXPP-UHFFFAOYSA-N -2 0 397.352 3.154 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)cc1 ZINC000471965798 566990492 /nfs/dbraw/zinc/99/04/92/566990492.db2.gz SYFOKJCQJCBZRM-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)s1 ZINC000471970098 566990915 /nfs/dbraw/zinc/99/09/15/566990915.db2.gz LYYQXGCOQGYOJG-UHFFFAOYSA-N -2 0 381.353 3.454 20 0 GGADRL COc1ccc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)c(Br)c1O ZINC000584113797 567014152 /nfs/dbraw/zinc/01/41/52/567014152.db2.gz IQXWOLDFUORCIC-ZETCQYMHSA-N -2 0 387.255 3.169 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)cc1 ZINC000545126235 567019997 /nfs/dbraw/zinc/01/99/97/567019997.db2.gz XCZAFPKEONMONM-UHFFFAOYSA-N -2 0 377.752 3.440 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2OC(F)F)cc1C(=O)[O-] ZINC000545120498 567020426 /nfs/dbraw/zinc/02/04/26/567020426.db2.gz KCZABFMALGTVQW-UHFFFAOYSA-N -2 0 394.783 3.262 20 0 GGADRL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000657145028 567023284 /nfs/dbraw/zinc/02/32/84/567023284.db2.gz YUFYPKXRGQUBTD-KCJUWKMLSA-N -2 0 381.828 3.176 20 0 GGADRL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000565056099 567034492 /nfs/dbraw/zinc/03/44/92/567034492.db2.gz MOCSLNANFIPVRN-BXKDBHETSA-N -2 0 381.828 3.320 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)ccc1Cl ZINC000430974978 567042326 /nfs/dbraw/zinc/04/23/26/567042326.db2.gz HBXZELGNTBLSLS-UHFFFAOYSA-N -2 0 383.706 3.395 20 0 GGADRL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)CCc2cccs2)c1 ZINC000584692584 567061793 /nfs/dbraw/zinc/06/17/93/567061793.db2.gz LBMNVUAIMWYQFD-UHFFFAOYSA-N -2 0 395.380 3.329 20 0 GGADRL CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)cccc21 ZINC000565520440 567073964 /nfs/dbraw/zinc/07/39/64/567073964.db2.gz VFJIFUADYOZTKD-GFCCVEGCSA-N -2 0 383.447 3.026 20 0 GGADRL COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000584872458 567077148 /nfs/dbraw/zinc/07/71/48/567077148.db2.gz DWUVIPVOEHOQPY-UHFFFAOYSA-N -2 0 390.244 3.430 20 0 GGADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473440988 567081879 /nfs/dbraw/zinc/08/18/79/567081879.db2.gz LGOCGPBJSIEGMR-UHFFFAOYSA-N -2 0 379.818 3.357 20 0 GGADRL CO[C@H](C)c1nc(=NCc2cccc(-c3nc(C(=O)[O-])cs3)c2)s[n-]1 ZINC000565776833 567097647 /nfs/dbraw/zinc/09/76/47/567097647.db2.gz LTMFLEUUUCHDQY-SECBINFHSA-N -2 0 376.463 3.101 20 0 GGADRL Cc1ccnc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2)n1 ZINC000522359742 567114353 /nfs/dbraw/zinc/11/43/53/567114353.db2.gz LPBGIFCSJQAJOI-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL CC(C)(C)OC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000566229086 567140359 /nfs/dbraw/zinc/14/03/59/567140359.db2.gz HDEYLYGNRANXQD-UHFFFAOYSA-N -2 0 383.447 3.202 20 0 GGADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000498008648 567142142 /nfs/dbraw/zinc/14/21/42/567142142.db2.gz JOIBVHAIFOIIOE-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000683650576 567143583 /nfs/dbraw/zinc/14/35/83/567143583.db2.gz ZMTUCPFKEQTUQS-UHFFFAOYSA-N -2 0 379.463 3.421 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1OCC(F)(F)F ZINC000523124778 567144478 /nfs/dbraw/zinc/14/44/78/567144478.db2.gz HQRFXSDBALUVBT-UHFFFAOYSA-N -2 0 395.380 3.497 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)cc1Cl ZINC000474388706 567166365 /nfs/dbraw/zinc/16/63/65/567166365.db2.gz KUULPQSPXRYELP-UHFFFAOYSA-N -2 0 391.779 3.483 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])sc1C ZINC000547555024 567219968 /nfs/dbraw/zinc/21/99/68/567219968.db2.gz XPTKPJFGKGHPFP-UHFFFAOYSA-N -2 0 380.491 3.464 20 0 GGADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000547555226 567220497 /nfs/dbraw/zinc/22/04/97/567220497.db2.gz HBESRGSAPHYCEY-UHFFFAOYSA-N -2 0 384.797 3.364 20 0 GGADRL CC(C)(C)C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(Br)ccc1F ZINC000547581293 567226234 /nfs/dbraw/zinc/22/62/34/567226234.db2.gz NODOYGFOCZMKIB-SNVBAGLBSA-N -2 0 396.278 3.146 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)ccc1Cl ZINC000499340473 567239284 /nfs/dbraw/zinc/23/92/84/567239284.db2.gz GQHNXLCDZHQWFB-UHFFFAOYSA-N -2 0 378.793 3.494 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)cc1C(=O)[O-] ZINC000499342341 567239298 /nfs/dbraw/zinc/23/92/98/567239298.db2.gz JJKWBYUELMYAMK-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)cc1Cl ZINC000499342478 567239886 /nfs/dbraw/zinc/23/98/86/567239886.db2.gz JWBDVIMTIVQZRO-UHFFFAOYSA-N -2 0 395.849 3.358 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)sc1C(=O)[O-] ZINC000525369236 567244850 /nfs/dbraw/zinc/24/48/50/567244850.db2.gz VUHQTTLYYRUIPW-UHFFFAOYSA-N -2 0 385.438 3.483 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000547872135 567254318 /nfs/dbraw/zinc/25/43/18/567254318.db2.gz ZTKGURVXOGDPLQ-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL COc1ccsc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000547883239 567255457 /nfs/dbraw/zinc/25/54/57/567255457.db2.gz KIDADPBKUGMILW-UHFFFAOYSA-N -2 0 381.353 3.275 20 0 GGADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1Cl ZINC000433529093 567257338 /nfs/dbraw/zinc/25/73/38/567257338.db2.gz HLTFNLQIHWRFRY-UHFFFAOYSA-N -2 0 385.825 3.333 20 0 GGADRL CCCCc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)ccc2[nH]1 ZINC000433844820 567276597 /nfs/dbraw/zinc/27/65/97/567276597.db2.gz UIEXXYYMPPTBAP-UHFFFAOYSA-N -2 0 379.463 3.466 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(F)cc(NCC(F)(F)F)c2)c1 ZINC000475811603 567279275 /nfs/dbraw/zinc/27/92/75/567279275.db2.gz LKQAWENBISCPMD-UHFFFAOYSA-N -2 0 398.359 3.360 20 0 GGADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1Cl ZINC000548149917 567284006 /nfs/dbraw/zinc/28/40/06/567284006.db2.gz XSTJLTDCTBBWGO-UHFFFAOYSA-N -2 0 380.809 3.086 20 0 GGADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000568070708 567301683 /nfs/dbraw/zinc/30/16/83/567301683.db2.gz KDWLMGJFIXVSIE-UHFFFAOYSA-N -2 0 391.779 3.434 20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000500289340 567312561 /nfs/dbraw/zinc/31/25/61/567312561.db2.gz KYVAMRYAUROYBP-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000500350438 567315076 /nfs/dbraw/zinc/31/50/76/567315076.db2.gz ALPFZXJZIMGNOB-UHFFFAOYSA-N -2 0 385.825 3.003 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(Br)ccc2F)ccc1F ZINC000500372527 567317063 /nfs/dbraw/zinc/31/70/63/567317063.db2.gz JDMJHJSLPZFHAH-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cc1C(=O)[O-] ZINC000476386744 567318865 /nfs/dbraw/zinc/31/88/65/567318865.db2.gz QLDJLMHFNJMQIV-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000476420000 567321242 /nfs/dbraw/zinc/32/12/42/567321242.db2.gz CPLZIKVXURYUNH-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])s1 ZINC000548564782 567331266 /nfs/dbraw/zinc/33/12/66/567331266.db2.gz FLTGBVNYVYSHPG-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(Br)ccc2F)cccc1C(=O)[O-] ZINC000476774999 567348396 /nfs/dbraw/zinc/34/83/96/567348396.db2.gz OWSFSCFJFPNMMX-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000592711773 567357131 /nfs/dbraw/zinc/35/71/31/567357131.db2.gz PPRJJSPEVVISEZ-UHFFFAOYSA-N -2 0 385.463 3.351 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1O ZINC000436974018 567470888 /nfs/dbraw/zinc/47/08/88/567470888.db2.gz WMAFFVHSMUAIPR-UHFFFAOYSA-N -2 0 380.180 3.337 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c(Cl)c1Cl ZINC000436994641 567474057 /nfs/dbraw/zinc/47/40/57/567474057.db2.gz OBPMWJMGYDLFBP-UHFFFAOYSA-N -2 0 392.216 3.207 20 0 GGADRL Cc1c(Br)cc([N-]S(=O)(=O)c2ccccc2F)cc1C(=O)[O-] ZINC000551114423 567479926 /nfs/dbraw/zinc/47/99/26/567479926.db2.gz OKHKWRMWVBCTHG-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000479196199 567514002 /nfs/dbraw/zinc/51/40/02/567514002.db2.gz XGAPUVAJUMFNNI-UHFFFAOYSA-N -2 0 377.315 3.272 20 0 GGADRL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cn1 ZINC000479241360 567518060 /nfs/dbraw/zinc/51/80/60/567518060.db2.gz KQXHVYBPBQPEJS-SECBINFHSA-N -2 0 383.857 3.451 20 0 GGADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)cc1C(=O)[O-] ZINC000479258795 567518993 /nfs/dbraw/zinc/51/89/93/567518993.db2.gz ZTNKAUMNKFFEJO-SNVBAGLBSA-N -2 0 383.857 3.315 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2OC(C)C)cc1C(=O)[O-] ZINC000504259072 567527099 /nfs/dbraw/zinc/52/70/99/567527099.db2.gz FLLYWMXUQQSELI-UHFFFAOYSA-N -2 0 386.857 3.448 20 0 GGADRL CC(C)c1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cc2s1 ZINC000620593880 567529164 /nfs/dbraw/zinc/52/91/64/567529164.db2.gz ZZASGXOSPVJXHN-UHFFFAOYSA-N -2 0 379.463 3.257 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c2n[nH]cc21 ZINC000479441886 567536018 /nfs/dbraw/zinc/53/60/18/567536018.db2.gz SDHOBVJBRNMTOE-UHFFFAOYSA-N -2 0 379.825 3.332 20 0 GGADRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000479468144 567537049 /nfs/dbraw/zinc/53/70/49/567537049.db2.gz MSUPQEDVTYMKLP-UHFFFAOYSA-N -2 0 383.857 3.235 20 0 GGADRL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479472129 567539042 /nfs/dbraw/zinc/53/90/42/567539042.db2.gz WBAFRAPPJNHKEQ-UHFFFAOYSA-N -2 0 391.779 3.434 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1Cl ZINC000438753812 567541577 /nfs/dbraw/zinc/54/15/77/567541577.db2.gz JEISVLQQRJUPTG-UHFFFAOYSA-N -2 0 390.200 3.191 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Oc3ccccn3)c2)cs1 ZINC000438722615 567542642 /nfs/dbraw/zinc/54/26/42/567542642.db2.gz IGHKYOISUULZPU-UHFFFAOYSA-N -2 0 376.415 3.434 20 0 GGADRL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1)C(=O)[O-] ZINC000504658555 567542709 /nfs/dbraw/zinc/54/27/09/567542709.db2.gz WVOUWCIKEJUXFG-MRVPVSSYSA-N -2 0 391.392 3.470 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3)c2)sc1C(=O)[O-] ZINC000479550033 567542976 /nfs/dbraw/zinc/54/29/76/567542976.db2.gz YQJSHKJBIHENGK-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000551945876 567544562 /nfs/dbraw/zinc/54/45/62/567544562.db2.gz DOLLQOREFFLODF-UHFFFAOYSA-N -2 0 377.315 3.304 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000479567223 567544825 /nfs/dbraw/zinc/54/48/25/567544825.db2.gz MROLUUBNTYEZOW-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000504703733 567546035 /nfs/dbraw/zinc/54/60/35/567546035.db2.gz PKDCLPWWVGSRHD-UHFFFAOYSA-N -2 0 385.825 3.003 20 0 GGADRL C[C@@H]1Sc2ccccc2N(S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])[C@H]1C ZINC000438818759 567549202 /nfs/dbraw/zinc/54/92/02/567549202.db2.gz KGVNATKNIMZAOL-QWRGUYRKSA-N -2 0 379.459 3.168 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2c(OC)ccc(Cl)c2C(=O)[O-])cc1C ZINC000505124510 567561389 /nfs/dbraw/zinc/56/13/89/567561389.db2.gz NKNGIAOXRMKENI-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000505124055 567561572 /nfs/dbraw/zinc/56/15/72/567561572.db2.gz KEHXFKYWHDIYSS-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000505124072 567561865 /nfs/dbraw/zinc/56/18/65/567561865.db2.gz KKMUCQWWPORICK-UHFFFAOYSA-N -2 0 383.809 3.050 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000505832495 567598718 /nfs/dbraw/zinc/59/87/18/567598718.db2.gz LVROCHBQTWCFSI-UHFFFAOYSA-N -2 0 379.768 3.010 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(=O)[O-])n2)sc1C ZINC000552617133 567599321 /nfs/dbraw/zinc/59/93/21/567599321.db2.gz ZGBRBDYJLSAMBC-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000531195677 567646169 /nfs/dbraw/zinc/64/61/69/567646169.db2.gz JDFQHSWYVIAPKL-UHFFFAOYSA-N -2 0 383.809 3.100 20 0 GGADRL O=C([O-])c1ccc(O)c(S(=O)(=O)[N-]c2ccc(Cl)c3cccnc23)c1 ZINC000531433719 567658814 /nfs/dbraw/zinc/65/88/14/567658814.db2.gz NEBUVADHECDDDF-UHFFFAOYSA-N -2 0 378.793 3.093 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000481443195 567677464 /nfs/dbraw/zinc/67/74/64/567677464.db2.gz ZDMSTXGFZLKENA-UHFFFAOYSA-N -3 0 396.229 3.252 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000481433988 567678499 /nfs/dbraw/zinc/67/84/99/567678499.db2.gz JHVZVYCZUAKORC-UHFFFAOYSA-N -2 0 390.200 3.191 20 0 GGADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)s1 ZINC000531780425 567678834 /nfs/dbraw/zinc/67/88/34/567678834.db2.gz DQLQQVRKRLDDLZ-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1OC(F)F ZINC000531842695 567681696 /nfs/dbraw/zinc/68/16/96/567681696.db2.gz HHYSEVUOJDZGAU-UHFFFAOYSA-N -2 0 381.353 3.296 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2F)cc(C(=O)[O-])c1 ZINC000507644574 567692984 /nfs/dbraw/zinc/69/29/84/567692984.db2.gz MTZIFBBPBRJATD-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1ccc([C@H]([N-]S(=O)(=O)CCCC(F)(F)F)C(F)(F)F)cc1 ZINC000573203575 567695220 /nfs/dbraw/zinc/69/52/20/567695220.db2.gz MRANDHGDPVXNQY-JTQLQIEISA-N -2 0 393.305 3.250 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OC(F)F ZINC000460819141 567703669 /nfs/dbraw/zinc/70/36/69/567703669.db2.gz ZSTRILQEQOAWNV-UHFFFAOYSA-N -2 0 375.324 3.235 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c(C(=O)[O-])c1 ZINC000461339740 567729824 /nfs/dbraw/zinc/72/98/24/567729824.db2.gz FTYHLVYPWPWVDZ-UHFFFAOYSA-N -2 0 381.353 3.275 20 0 GGADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461338564 567730232 /nfs/dbraw/zinc/73/02/32/567730232.db2.gz HEOOKOKDMJYLQC-UHFFFAOYSA-N -2 0 381.353 3.275 20 0 GGADRL Cc1ccc(-c2[n-][nH]c(=NC(=O)c3cccc(Br)c3[O-])c2C)o1 ZINC000533236642 567760656 /nfs/dbraw/zinc/76/06/56/567760656.db2.gz RAXOWCHPKVEDDO-UHFFFAOYSA-N -2 0 376.210 3.429 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Sc2nncs2)cc1 ZINC000462057749 567763698 /nfs/dbraw/zinc/76/36/98/567763698.db2.gz JGUHFHLLQSUSIO-UHFFFAOYSA-N -2 0 397.459 3.090 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC(C)C)cc1C(=O)[O-] ZINC000555129945 567770313 /nfs/dbraw/zinc/77/03/13/567770313.db2.gz VMUGBVYCXDPOHN-UHFFFAOYSA-N -2 0 386.857 3.448 20 0 GGADRL Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1O ZINC000462101120 567772274 /nfs/dbraw/zinc/77/22/74/567772274.db2.gz JZBPKGUPVANEPP-UHFFFAOYSA-N -2 0 381.837 3.342 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cn(CC(C)C)nc2C(F)F)sc1C(=O)[O-] ZINC000534167821 567802108 /nfs/dbraw/zinc/80/21/08/567802108.db2.gz BQSATEZZQQLOMN-UHFFFAOYSA-N -2 0 393.437 3.346 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)n[nH]2)s1 ZINC000444419407 567805402 /nfs/dbraw/zinc/80/54/02/567805402.db2.gz NSIRTNYQFNTMES-UHFFFAOYSA-N -2 0 381.410 3.085 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3oc(CO)cc3c2)c(Cl)c1 ZINC000647918723 567806616 /nfs/dbraw/zinc/80/66/16/567806616.db2.gz QSIRRGITAUZPDM-UHFFFAOYSA-N -2 0 381.793 3.078 20 0 GGADRL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000170599561 570857775 /nfs/dbraw/zinc/85/77/75/570857775.db2.gz INUQILXUUKUOMQ-UHFFFAOYSA-N -2 0 399.852 3.254 20 0 GGADRL COCC(c1c([O-])c2ccccc2oc1=O)c1c([O-])c2ccccc2oc1=O ZINC000005701064 570898394 /nfs/dbraw/zinc/89/83/94/570898394.db2.gz BUCJFFQZPGTGPX-UHFFFAOYSA-N -2 0 380.352 3.089 20 0 in-man GGADRL CC(C)(c1n[n-]c(=NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)s1)c1ccccc1 ZINC000518138043 597119009 /nfs/dbraw/zinc/11/90/09/597119009.db2.gz CCBCGBBCKPGPFX-ZDUSSCGKSA-N -2 0 388.493 3.005 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c(Cl)c1Cl ZINC000818611458 597315427 /nfs/dbraw/zinc/31/54/27/597315427.db2.gz JOHGUKZWIWUXDA-UHFFFAOYSA-N -2 0 390.244 3.430 20 0 GGADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])s1 ZINC000818783930 597315631 /nfs/dbraw/zinc/31/56/31/597315631.db2.gz WZDUWCOFUMVSMI-UHFFFAOYSA-N -2 0 390.280 3.247 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(F)c2F)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC000736752570 599735069 /nfs/dbraw/zinc/73/50/69/599735069.db2.gz WNMFUAYXOOPIRJ-MRXNPFEDSA-N -2 0 388.326 3.293 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)o1 ZINC000740187795 599738223 /nfs/dbraw/zinc/73/82/23/599738223.db2.gz WIVOPQQATYJXCS-UHFFFAOYSA-N -2 0 377.374 3.088 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@H]2C=CCC2)o1 ZINC000739218803 599739864 /nfs/dbraw/zinc/73/98/64/599739864.db2.gz ONUPJIOSIJVKEW-LBPRGKRZSA-N -2 0 390.417 3.073 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2Cc2cccc3ccccc32)o1 ZINC000740187041 599740399 /nfs/dbraw/zinc/74/03/99/599740399.db2.gz CXTCSQGVMAWNHF-UHFFFAOYSA-N -2 0 397.412 3.177 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)c2cccs2)o1 ZINC000740187783 599740440 /nfs/dbraw/zinc/74/04/40/599740440.db2.gz VVKWGSRTSBJGSG-UHFFFAOYSA-N -2 0 392.414 3.092 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)C(F)(F)F)cc2)o1 ZINC000740177102 599740537 /nfs/dbraw/zinc/74/05/37/599740537.db2.gz CCTAHLZMFIJTOX-UHFFFAOYSA-N -2 0 385.266 3.433 20 0 GGADRL Cc1[nH]c(C([O-])=CS(=O)(=O)Cc2ccc(CC(C)C)cc2)c(C)c1C(=O)[O-] ZINC000738154293 599751784 /nfs/dbraw/zinc/75/17/84/599751784.db2.gz IGCVVSHQVWGSCV-UHFFFAOYSA-N -2 0 391.489 3.326 20 0 GGADRL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C(=O)[O-])c1 ZINC000726155291 599768734 /nfs/dbraw/zinc/76/87/34/599768734.db2.gz KANPZRGNEAYPCB-UHFFFAOYSA-N -3 0 383.809 3.154 20 0 GGADRL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000736403427 599792651 /nfs/dbraw/zinc/79/26/51/599792651.db2.gz FJAXTAFLCBUYBO-JTQLQIEISA-N -2 0 395.399 3.281 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)c1 ZINC000740235647 599801080 /nfs/dbraw/zinc/80/10/80/599801080.db2.gz IROMCJNTBOLFST-MOPGFXCFSA-N -2 0 395.436 3.147 20 0 GGADRL O=C([O-])CCOc1cccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC000739742391 599801145 /nfs/dbraw/zinc/80/11/45/599801145.db2.gz KTWIBXAEHKGUJA-QPJJXVBHSA-N -2 0 380.356 3.058 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OCC(F)(F)F)c1 ZINC000738744354 599801764 /nfs/dbraw/zinc/80/17/64/599801764.db2.gz KYPIZAFGJFZDHQ-UHFFFAOYSA-N -2 0 389.351 3.435 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)sc1Cc1ccc(C)cc1 ZINC000738602994 599802260 /nfs/dbraw/zinc/80/22/60/599802260.db2.gz NRURRUNXKSTDGX-UHFFFAOYSA-N -2 0 392.458 3.443 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)sc1Cc1ccccc1F ZINC000738865596 599802304 /nfs/dbraw/zinc/80/23/04/599802304.db2.gz YFJKRIQIDUUQBQ-UHFFFAOYSA-N -2 0 396.421 3.273 20 0 GGADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)c(C(=O)[O-])s1 ZINC000737682293 599814421 /nfs/dbraw/zinc/81/44/21/599814421.db2.gz ZGLHUWLEBZWYNK-UHFFFAOYSA-N -2 0 397.474 3.331 20 0 GGADRL CCOCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000590469648 599849712 /nfs/dbraw/zinc/84/97/12/599849712.db2.gz ABDHWLUOEBUWOC-UHFFFAOYSA-N -2 0 399.852 3.254 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2OCc2ccccc2)s1 ZINC000740187489 599851997 /nfs/dbraw/zinc/85/19/97/599851997.db2.gz NXNXIKOPGHPMFL-UHFFFAOYSA-N -2 0 390.442 3.221 20 0 GGADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cccnc1OCc1ccccc1 ZINC000740288222 599852009 /nfs/dbraw/zinc/85/20/09/599852009.db2.gz BYVAMMOBEPAESK-UHFFFAOYSA-N -2 0 390.442 3.221 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2OCc2ccccc2)cc1 ZINC000591682788 599852179 /nfs/dbraw/zinc/85/21/79/599852179.db2.gz JBUWPAIADZICBR-UHFFFAOYSA-N -2 0 384.413 3.160 20 0 GGADRL COc1cc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c(C(=O)[O-])cc1OC ZINC000737892315 599858601 /nfs/dbraw/zinc/85/86/01/599858601.db2.gz LJJZHBARZQHJSY-FQEVSTJZSA-N -2 0 393.436 3.402 20 0 GGADRL COc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC000738048128 599874468 /nfs/dbraw/zinc/87/44/68/599874468.db2.gz ACNCQINRXSIACQ-UHFFFAOYSA-N -2 0 385.825 3.357 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2ccc(Br)cc2C(=O)[O-])sc1C ZINC000738865609 599874721 /nfs/dbraw/zinc/87/47/21/599874721.db2.gz ZLOTWWQDJCUZQG-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])s2)cc1OCC ZINC000392259866 599876021 /nfs/dbraw/zinc/87/60/21/599876021.db2.gz CJWSHOOEGYOREG-UHFFFAOYSA-N -2 0 385.463 3.353 20 0 GGADRL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000739874148 599886024 /nfs/dbraw/zinc/88/60/24/599886024.db2.gz MZNKERUFPOMGDV-UHFFFAOYSA-N -2 0 391.392 3.223 20 0 GGADRL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000738721571 599907907 /nfs/dbraw/zinc/90/79/07/599907907.db2.gz KZTDSFHZOBLZHK-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccnc1OCc1ccccc1 ZINC000675628848 599908142 /nfs/dbraw/zinc/90/81/42/599908142.db2.gz SFPVENPTKSTJNT-UHFFFAOYSA-N -2 0 398.440 3.468 20 0 GGADRL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000738688155 599923965 /nfs/dbraw/zinc/92/39/65/599923965.db2.gz HRGNHBPFJHKHGL-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cc(Br)c(F)cc1F ZINC000740288174 599925189 /nfs/dbraw/zinc/92/51/89/599925189.db2.gz BIDVZDWKLBRKAZ-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1OC ZINC000737870195 599925984 /nfs/dbraw/zinc/92/59/84/599925984.db2.gz FGWHZLYLOMBKPX-QPJJXVBHSA-N -2 0 395.408 3.050 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000365110315 599926169 /nfs/dbraw/zinc/92/61/69/599926169.db2.gz PHVAZVQMTSQVLE-UHFFFAOYSA-N -2 0 394.836 3.114 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)c(Cl)c1 ZINC000372038121 599926228 /nfs/dbraw/zinc/92/62/28/599926228.db2.gz SDGKZVANQCGLSV-UHFFFAOYSA-N -2 0 394.836 3.114 20 0 GGADRL COc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])c(F)c1 ZINC000737890302 599926806 /nfs/dbraw/zinc/92/68/06/599926806.db2.gz VUBOCPTYPYJEEF-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL O=C([O-])CSCc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000739874583 599927770 /nfs/dbraw/zinc/92/77/70/599927770.db2.gz REFFZWDMEQCMCH-UHFFFAOYSA-N -2 0 391.392 3.223 20 0 GGADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000736487259 599941147 /nfs/dbraw/zinc/94/11/47/599941147.db2.gz KMDGHARNVTWPNH-UHFFFAOYSA-N -2 0 397.427 3.370 20 0 GGADRL COc1ccc2nc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)sc2c1 ZINC000393057687 599965548 /nfs/dbraw/zinc/96/55/48/599965548.db2.gz OSLDJRJCIKAONC-UHFFFAOYSA-N -2 0 378.431 3.112 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nc2cc(Cl)ccc2n1C ZINC000738277312 599966495 /nfs/dbraw/zinc/96/64/95/599966495.db2.gz TWJMRZBSLDHMPK-UHFFFAOYSA-N -2 0 379.825 3.034 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000738277450 599967117 /nfs/dbraw/zinc/96/71/17/599967117.db2.gz ZAQQBJBJPHWVGP-UHFFFAOYSA-N -2 0 394.474 3.106 20 0 GGADRL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])c2)o1 ZINC000738801985 599974893 /nfs/dbraw/zinc/97/48/93/599974893.db2.gz FUTIFBANRXEBFA-UHFFFAOYSA-N -2 0 376.390 3.359 20 0 GGADRL Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000219471180 599980998 /nfs/dbraw/zinc/98/09/98/599980998.db2.gz ZPQSRJOGWSHQFI-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1c(Br)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000318115598 599981631 /nfs/dbraw/zinc/98/16/31/599981631.db2.gz OYUXESXDHOEYJZ-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2csc(C3CC3)n2)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC000736749028 599983401 /nfs/dbraw/zinc/98/34/01/599983401.db2.gz VJRZTZSXZQDINS-OAHLLOKOSA-N -2 0 399.428 3.348 20 0 GGADRL C[C@@](CC(=O)Nc1cccc(CSCC(=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000736549172 599985458 /nfs/dbraw/zinc/98/54/58/599985458.db2.gz SORNIKUDFVACPV-FQEVSTJZSA-N -2 0 387.457 3.376 20 0 GGADRL Cc1cc([C@@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc(C)c1O ZINC000736748193 599987672 /nfs/dbraw/zinc/98/76/72/599987672.db2.gz WLYCCEAQOQRSMJ-KRWDZBQOSA-N -2 0 390.436 3.079 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2ccc(Cl)s2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736749547 599987929 /nfs/dbraw/zinc/98/79/29/599987929.db2.gz CNQNPUNYASSGRM-AWEZNQCLSA-N -2 0 386.857 3.471 20 0 GGADRL CCC1=C(C(=O)[O-])[C@@H](c2ccc(F)cc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000736930886 599987974 /nfs/dbraw/zinc/98/79/74/599987974.db2.gz AAFBQYQJVKCOEL-QGZVFWFLSA-N -2 0 396.390 3.425 20 0 GGADRL Cc1cc([C@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])ccc1F ZINC000736749621 599987984 /nfs/dbraw/zinc/98/79/84/599987984.db2.gz DGFLYQFZPQTGKQ-QGZVFWFLSA-N -2 0 378.400 3.204 20 0 GGADRL CCC1=C(C(=O)[O-])[C@H](c2cccc(F)c2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932813 599988200 /nfs/dbraw/zinc/98/82/00/599988200.db2.gz XAFCKLYWAAWAAI-KRWDZBQOSA-N -2 0 396.390 3.425 20 0 GGADRL CCC1=C(C(=O)[O-])[C@@H](c2c(F)cccc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932653 599988400 /nfs/dbraw/zinc/98/84/00/599988400.db2.gz USLGSFUMDXBGJP-QGZVFWFLSA-N -2 0 396.390 3.425 20 0 GGADRL CCC1=C(C(=O)[O-])[C@@H](c2ccccc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932253 599988914 /nfs/dbraw/zinc/98/89/14/599988914.db2.gz ONARHSTZQCJNDC-QGZVFWFLSA-N -2 0 378.400 3.286 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(F)c2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000736752580 599988920 /nfs/dbraw/zinc/98/89/20/599988920.db2.gz XEQDCRMICZNLKG-MRXNPFEDSA-N -2 0 382.363 3.035 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2ccc3ncccc3c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736750010 599988982 /nfs/dbraw/zinc/98/89/82/599988982.db2.gz HDFJKCOADAJKHI-IBGZPJMESA-N -2 0 397.431 3.305 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2csc(C(C)(C)C)n2)NC(=O)N1CCCCC(=O)[O-] ZINC000736749433 599989012 /nfs/dbraw/zinc/98/90/12/599989012.db2.gz YOSQERPDINJGAR-AWEZNQCLSA-N -2 0 395.481 3.120 20 0 GGADRL CSc1ccc([C@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc1 ZINC000738213734 599989576 /nfs/dbraw/zinc/98/95/76/599989576.db2.gz OWPOEKXTWVQXKU-QGZVFWFLSA-N -2 0 392.477 3.478 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(F)ccc2N2CCCCC2)c1 ZINC000740144472 599996159 /nfs/dbraw/zinc/99/61/59/599996159.db2.gz QPOOYTLHBPJYMT-UHFFFAOYSA-N -2 0 396.415 3.454 20 0 GGADRL O=C([O-])C[C@@H](NC(=O)c1cccc(Br)c1[O-])c1ccc(F)cc1 ZINC000738566733 600005643 /nfs/dbraw/zinc/00/56/43/600005643.db2.gz TZEBEJAQWWUIEZ-CYBMUJFWSA-N -2 0 382.185 3.240 20 0 GGADRL Cc1ccc([C@H]2NC(=O)N(Cc3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])cc1F ZINC000736749406 600016712 /nfs/dbraw/zinc/01/67/12/600016712.db2.gz BNABBTMTDKITGK-GOSISDBHSA-N -2 0 398.390 3.457 20 0 GGADRL Cc1ccc([C@@H]2NC(=O)N(c3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])cc1F ZINC000736751443 600017333 /nfs/dbraw/zinc/01/73/33/600017333.db2.gz PUOFVRBHQOLGIE-KRWDZBQOSA-N -2 0 384.363 3.462 20 0 GGADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)CCCCCc1cccs1 ZINC000739234117 600023239 /nfs/dbraw/zinc/02/32/39/600023239.db2.gz SFSVGOPDDSKQBP-UHFFFAOYSA-N -2 0 387.504 3.116 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)s1 ZINC000740187704 600024231 /nfs/dbraw/zinc/02/42/31/600024231.db2.gz PGGYALSZNJRUTI-UHFFFAOYSA-N -2 0 396.471 3.283 20 0 GGADRL O=C([O-])[C@H]1Cc2ccccc2CN1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000739628389 600032208 /nfs/dbraw/zinc/03/22/08/600032208.db2.gz ZYANCCLLGCNPEF-OAHLLOKOSA-N -2 0 375.384 3.093 20 0 GGADRL CC(C)[C@H](Sc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736390650 600043276 /nfs/dbraw/zinc/04/32/76/600043276.db2.gz KRVXPOWVPUSRHV-ZDUSSCGKSA-N -2 0 399.515 3.068 20 0 GGADRL CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000736983243 600044474 /nfs/dbraw/zinc/04/44/74/600044474.db2.gz XZRRUVLKTYLKSX-SNVBAGLBSA-N -2 0 395.399 3.425 20 0 GGADRL CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000736965971 600044595 /nfs/dbraw/zinc/04/45/95/600044595.db2.gz VWWBDNMTNQKHPA-SECBINFHSA-N -2 0 381.372 3.035 20 0 GGADRL CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000736965973 600044614 /nfs/dbraw/zinc/04/46/14/600044614.db2.gz VWWBDNMTNQKHPA-VIFPVBQESA-N -2 0 381.372 3.035 20 0 GGADRL CCOc1ccc2nc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])sc2c1 ZINC000737211814 600051545 /nfs/dbraw/zinc/05/15/45/600051545.db2.gz WPLWECLFRZZVBP-UHFFFAOYSA-N -2 0 396.421 3.333 20 0 GGADRL COC(=O)c1cccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000737714844 600051658 /nfs/dbraw/zinc/05/16/58/600051658.db2.gz XRPSFVSTFCAVMY-UHFFFAOYSA-N -2 0 391.426 3.187 20 0 GGADRL Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1nc(CC(=O)[O-])cs1 ZINC000738217613 600051917 /nfs/dbraw/zinc/05/19/17/600051917.db2.gz KVGCVPWKTKWAOW-UHFFFAOYSA-N -2 0 382.507 3.485 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n(-c2ccccc2)n1 ZINC000738463243 600052455 /nfs/dbraw/zinc/05/24/55/600052455.db2.gz HPMBWAMTJFEQLM-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc2oc(=O)[nH]c2c1 ZINC000740281678 600053947 /nfs/dbraw/zinc/05/39/47/600053947.db2.gz SSZDVXYVBLPEKV-UHFFFAOYSA-N -2 0 390.398 3.247 20 0 GGADRL Cc1ccsc1Cn1nccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000738347155 600054498 /nfs/dbraw/zinc/05/44/98/600054498.db2.gz BSXRNQPLIZWGEX-UHFFFAOYSA-N -2 0 391.474 3.109 20 0 GGADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccnn1Cc1ccccc1 ZINC000740141084 600054745 /nfs/dbraw/zinc/05/47/45/600054745.db2.gz YVLXDFUKEYQKEK-UHFFFAOYSA-N -2 0 391.836 3.084 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2c3c(nn2-c2ccccc2)CCC3)c1C(=O)[O-] ZINC000738746395 600055183 /nfs/dbraw/zinc/05/51/83/600055183.db2.gz YWNIPLBINIPHKK-UHFFFAOYSA-N -2 0 397.456 3.168 20 0 GGADRL O=C([O-])c1cc(-c2csc([N-]S(=O)(=O)/C=C\c3ccccc3)n2)c[nH]1 ZINC000740068283 600055429 /nfs/dbraw/zinc/05/54/29/600055429.db2.gz CPYACMKGJBSTCP-SREVYHEPSA-N -2 0 375.431 3.249 20 0 GGADRL CC[C@H]1CCc2nc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])sc2C1 ZINC000736940897 600055495 /nfs/dbraw/zinc/05/54/95/600055495.db2.gz VHYCYKNVBHZDGC-NSHDSACASA-N -2 0 380.491 3.465 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc2cc(F)c(F)cc2s1 ZINC000738546341 600055871 /nfs/dbraw/zinc/05/58/71/600055871.db2.gz USPYOKGGQFFVNT-UHFFFAOYSA-N -2 0 384.385 3.382 20 0 GGADRL O=C([O-])c1cccc(Cc2cnc([N-]S(=O)(=O)c3ccccc3F)s2)c1 ZINC000740228511 600056139 /nfs/dbraw/zinc/05/61/39/600056139.db2.gz MZXPRONEXYDDBW-UHFFFAOYSA-N -2 0 392.433 3.372 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2nc3cc(F)c(F)cc3s2)c1C(=O)[O-] ZINC000738747618 600056215 /nfs/dbraw/zinc/05/62/15/600056215.db2.gz ZYMKMSYTLRXESC-UHFFFAOYSA-N -2 0 384.385 3.382 20 0 GGADRL CC(C)[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000736350834 600056528 /nfs/dbraw/zinc/05/65/28/600056528.db2.gz ALUHHNKIRKCVLA-KRWDZBQOSA-N -2 0 375.446 3.020 20 0 GGADRL CC(C)[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000736353880 600056568 /nfs/dbraw/zinc/05/65/68/600056568.db2.gz RHZNHVAMXUYULB-SFHVURJKSA-N -2 0 389.473 3.161 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccnn2-c2cccc(Cl)c2)cc1 ZINC000738688640 600057277 /nfs/dbraw/zinc/05/72/77/600057277.db2.gz IKSDWXCWSMWFKM-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccnn1-c1cccc(Cl)c1 ZINC000738347198 600057371 /nfs/dbraw/zinc/05/73/71/600057371.db2.gz FQUBHVBTSRYPQM-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccnn2-c2cccc(Cl)c2)c1 ZINC000740144299 600057552 /nfs/dbraw/zinc/05/75/52/600057552.db2.gz ODZNUNLHIVMODO-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cnn(-c3ccccc3Cl)c2)c1 ZINC000078953823 600058296 /nfs/dbraw/zinc/05/82/96/600058296.db2.gz YHGDSKLAPRUHSB-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2Cl)c1 ZINC000740147091 600058424 /nfs/dbraw/zinc/05/84/24/600058424.db2.gz YZAFFBGZAQEIIU-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL CCc1cc2c(COC(=O)CCc3ccc(C(=O)[O-])cc3)cc(=O)oc2cc1O ZINC000737251767 600092590 /nfs/dbraw/zinc/09/25/90/600092590.db2.gz FHXJEYZPWYLBOY-UHFFFAOYSA-N -2 0 396.395 3.435 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-])O[C@@H](C)C2 ZINC000737192769 600094298 /nfs/dbraw/zinc/09/42/98/600094298.db2.gz ABGHHPYIZPAAIK-JTQLQIEISA-N -2 0 395.408 3.047 20 0 GGADRL CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)c2C1 ZINC000736996587 600100407 /nfs/dbraw/zinc/10/04/07/600100407.db2.gz ZLPZRALJRSYXKT-UHFFFAOYSA-N -2 0 380.491 3.363 20 0 GGADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c(F)c1 ZINC000737890317 600100842 /nfs/dbraw/zinc/10/08/42/600100842.db2.gz WOCQVXKGOAJLDZ-UHFFFAOYSA-N -2 0 376.312 3.003 20 0 GGADRL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(Br)c2[O-])cc1 ZINC000737952879 600100929 /nfs/dbraw/zinc/10/09/29/600100929.db2.gz QSCLTQDIJAXFCH-AWEZNQCLSA-N -2 0 394.221 3.109 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)c(C)c1 ZINC000738659687 600102273 /nfs/dbraw/zinc/10/22/73/600102273.db2.gz BIGDHCWAMNOZOO-UHFFFAOYSA-N -2 0 377.447 3.116 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)c(Cl)c1 ZINC000738660317 600102400 /nfs/dbraw/zinc/10/24/00/600102400.db2.gz NEQYIVBNRWDXPX-UHFFFAOYSA-N -2 0 397.865 3.461 20 0 GGADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)/C=C/c3ccccc3)nc2n1 ZINC000738346174 600102411 /nfs/dbraw/zinc/10/24/11/600102411.db2.gz NLJNMYDHZCQQGT-BQYQJAHWSA-N -2 0 375.431 3.111 20 0 GGADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000740121378 600103025 /nfs/dbraw/zinc/10/30/25/600103025.db2.gz PVUJQRXPLCEVNS-UHFFFAOYSA-N -2 0 380.731 3.253 20 0 GGADRL Cc1cccc(C[C@@H](CNC(=O)c2cccc(Br)c2[O-])C(=O)[O-])c1 ZINC000738710968 600103316 /nfs/dbraw/zinc/10/33/16/600103316.db2.gz CFZZKSMAXYYCOY-ZDUSSCGKSA-N -2 0 392.249 3.136 20 0 GGADRL 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20 0 GGADRL Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000509598002 600675641 /nfs/dbraw/zinc/67/56/41/600675641.db2.gz BUCDBQXKSAGEFS-UHFFFAOYSA-N -2 0 399.428 3.074 20 0 GGADRL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cn2)cc1C ZINC000509551537 600675802 /nfs/dbraw/zinc/67/58/02/600675802.db2.gz BTNZEVUAGSDYNQ-UHFFFAOYSA-N -2 0 387.417 3.318 20 0 GGADRL Cc1cccc(Oc2ncccc2[N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C ZINC000509590522 600676177 /nfs/dbraw/zinc/67/61/77/600676177.db2.gz MPORQUXEZGHLIV-UHFFFAOYSA-N -2 0 387.417 3.318 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(OC[C@H]2CCCO2)c1 ZINC000516238087 600677894 /nfs/dbraw/zinc/67/78/94/600677894.db2.gz GEBQEAAEIYWLEZ-GFCCVEGCSA-N -2 0 397.474 3.113 20 0 GGADRL CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000736232742 600678294 /nfs/dbraw/zinc/67/82/94/600678294.db2.gz LQEJERIZYLGKAM-UHFFFAOYSA-N -2 0 397.836 3.201 20 0 GGADRL CC(C)c1noc(-c2ccc([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)cc2)n1 ZINC000590263672 600680043 /nfs/dbraw/zinc/68/00/43/600680043.db2.gz XXFAJZWDMXHVKS-UHFFFAOYSA-N -2 0 393.446 3.421 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c1 ZINC000745978818 600686963 /nfs/dbraw/zinc/68/69/63/600686963.db2.gz CFPXYJYPWIEWOI-UHFFFAOYSA-N -2 0 377.315 3.430 20 0 GGADRL CC(C)Cn1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])cn1 ZINC000826917671 600687364 /nfs/dbraw/zinc/68/73/64/600687364.db2.gz HEOSWBMGNHYUGP-UHFFFAOYSA-N -2 0 391.371 3.057 20 0 GGADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cccc(Oc2ccccn2)c1 ZINC000833348033 600692490 /nfs/dbraw/zinc/69/24/90/600692490.db2.gz LOINWFUHHLBXJN-UHFFFAOYSA-N -2 0 376.415 3.434 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)c1 ZINC000740143825 600694793 /nfs/dbraw/zinc/69/47/93/600694793.db2.gz LDMLCKZHHJKANN-UHFFFAOYSA-N -2 0 383.372 3.253 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3ccc(OCC(=O)[O-])cc3)n2)cc1 ZINC000827112498 600703233 /nfs/dbraw/zinc/70/32/33/600703233.db2.gz JVJPDKBUNFMFFU-UHFFFAOYSA-N -2 0 395.415 3.417 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])n2)cc1 ZINC000827113067 600705746 /nfs/dbraw/zinc/70/57/46/600705746.db2.gz VJOZLGODHBKGCN-GOSISDBHSA-N -2 0 393.443 3.127 20 0 GGADRL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000832777339 600705930 /nfs/dbraw/zinc/70/59/30/600705930.db2.gz IOGGIPVNERYNPK-MRXNPFEDSA-N -2 0 397.456 3.246 20 0 GGADRL CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000832777338 600706013 /nfs/dbraw/zinc/70/60/13/600706013.db2.gz IOGGIPVNERYNPK-INIZCTEOSA-N -2 0 397.456 3.246 20 0 GGADRL O=C([O-])CCCOc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000833227588 600718691 /nfs/dbraw/zinc/71/86/91/600718691.db2.gz NUVKPWNFXMFWSJ-UHFFFAOYSA-N -2 0 381.388 3.074 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CCC4(C[C@H]4C(=O)[O-])CC3)n2)cc1 ZINC000827112008 600721400 /nfs/dbraw/zinc/72/14/00/600721400.db2.gz DDKAYLSGSFNDFD-INIZCTEOSA-N -2 0 383.448 3.028 20 0 GGADRL CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000736513120 600756067 /nfs/dbraw/zinc/75/60/67/600756067.db2.gz QDTHCLNFGIXUMM-ROUUACIJSA-N -2 0 387.457 3.117 20 0 GGADRL CC(C)c1ccc([C@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000736513167 600756115 /nfs/dbraw/zinc/75/61/15/600756115.db2.gz RCOKMLHMVPUEAT-ZIAGYGMSSA-N -2 0 393.486 3.178 20 0 GGADRL CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000736513161 600756122 /nfs/dbraw/zinc/75/61/22/600756122.db2.gz RCOKMLHMVPUEAT-KBPBESRZSA-N -2 0 393.486 3.178 20 0 GGADRL CC(C)c1ccc([C@@H]2C[C@H]2C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000736513122 600756152 /nfs/dbraw/zinc/75/61/52/600756152.db2.gz QDTHCLNFGIXUMM-ZWKOTPCHSA-N -2 0 387.457 3.117 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3n2C2CCCC2)o1 ZINC000740187001 600757631 /nfs/dbraw/zinc/75/76/31/600757631.db2.gz UDNJYKRZUPENIB-UHFFFAOYSA-N -2 0 375.406 3.243 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C(F)(F)F)o1 ZINC000740173383 600798908 /nfs/dbraw/zinc/79/89/08/600798908.db2.gz KZCXXJINVKINFT-NSHDSACASA-N -2 0 383.731 3.213 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)O[C@@H](C)C2 ZINC000022244889 600808562 /nfs/dbraw/zinc/80/85/62/600808562.db2.gz WJXGPXWLQPPZJE-LBPRGKRZSA-N -2 0 391.445 3.216 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)O[C@H](C)C2 ZINC000022244887 600808795 /nfs/dbraw/zinc/80/87/95/600808795.db2.gz WJXGPXWLQPPZJE-GFCCVEGCSA-N -2 0 391.445 3.216 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2cccc(COc3ccccc3)c2)cc1C(=O)[O-] ZINC000833055527 600812189 /nfs/dbraw/zinc/81/21/89/600812189.db2.gz PAZLDNGJPFNABL-UHFFFAOYSA-N -2 0 386.429 3.103 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)C(=O)CC(C)(C)C3)cc1C(=O)[O-] ZINC000832956476 600828598 /nfs/dbraw/zinc/82/85/98/600828598.db2.gz FNBNJGPLVRLNEL-UHFFFAOYSA-N -2 0 394.474 3.106 20 0 GGADRL O=C([O-])COc1ccc(/C=C\c2ccc(C(=O)[O-])cn2)cc1Br ZINC000833253968 600829067 /nfs/dbraw/zinc/82/90/67/600829067.db2.gz DCVNQRQGVQCARU-RJRFIUFISA-N -2 0 378.178 3.176 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2ccc3oc(CC(C)(C)C)nc3c2)cc1C(=O)[O-] ZINC000833055558 600830695 /nfs/dbraw/zinc/83/06/95/600830695.db2.gz XUQRKBFPFCCMFU-UHFFFAOYSA-N -2 0 391.449 3.254 20 0 GGADRL O=C([O-])[C@H]1CC12CCN(C(=O)c1cc(Br)cc(Cl)c1[O-])CC2 ZINC000833177411 600831611 /nfs/dbraw/zinc/83/16/11/600831611.db2.gz JCDULNZEXVGYFV-SNVBAGLBSA-N -2 0 388.645 3.135 20 0 GGADRL COc1ccc([C@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc1Cl ZINC000737987650 600885828 /nfs/dbraw/zinc/88/58/28/600885828.db2.gz XBOQTPRRBWMKDY-MRXNPFEDSA-N -2 0 396.827 3.028 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2ccc3ccccc3n2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736752555 600886006 /nfs/dbraw/zinc/88/60/06/600886006.db2.gz WJKYARMJIYYHRF-LJQANCHMSA-N -2 0 397.431 3.305 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2n[nH]c(C3CC3)n2)ccc1C(=O)[O-] ZINC000506721586 600888451 /nfs/dbraw/zinc/88/84/51/600888451.db2.gz FCOFJIKATMUJOZ-UHFFFAOYSA-N -2 0 398.444 3.157 20 0 GGADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)no1 ZINC000738832674 600889354 /nfs/dbraw/zinc/88/93/54/600889354.db2.gz SYKWDUGRWYENJG-UHFFFAOYSA-N -2 0 393.808 3.197 20 0 GGADRL CC(C)n1ncc2cc([N-]S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)cnc21 ZINC000736539781 600889653 /nfs/dbraw/zinc/88/96/53/600889653.db2.gz OCOUOWGLGJWCBH-UHFFFAOYSA-N -2 0 394.840 3.165 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000506611898 600891166 /nfs/dbraw/zinc/89/11/66/600891166.db2.gz MMKHYJWROUYDDA-UHFFFAOYSA-N -2 0 392.458 3.421 20 0 GGADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)c1 ZINC000740075317 600891588 /nfs/dbraw/zinc/89/15/88/600891588.db2.gz JXZQCYCAHCFCSE-UHFFFAOYSA-N -2 0 391.836 3.084 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccnc2OCc2ccccc2)ccc1C(=O)[O-] ZINC000671659907 600893006 /nfs/dbraw/zinc/89/30/06/600893006.db2.gz IYARADXNBNZFOP-UHFFFAOYSA-N -2 0 398.440 3.468 20 0 GGADRL CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(CSCCC(=O)[O-])c2)c1C ZINC000737312027 600893176 /nfs/dbraw/zinc/89/31/76/600893176.db2.gz KBGYNOQFHUIILZ-UHFFFAOYSA-N -2 0 397.522 3.029 20 0 GGADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1OC ZINC000467328617 600897786 /nfs/dbraw/zinc/89/77/86/600897786.db2.gz XRCWBNMLIRXYOI-UHFFFAOYSA-N -2 0 379.434 3.128 20 0 GGADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c(F)c1 ZINC000608342081 600899654 /nfs/dbraw/zinc/89/96/54/600899654.db2.gz NYZDZASPSQLPFO-UHFFFAOYSA-N -2 0 385.388 3.136 20 0 GGADRL O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000833249182 600941383 /nfs/dbraw/zinc/94/13/83/600941383.db2.gz JJYFNWXPJQPJOW-UHFFFAOYSA-N -2 0 378.356 3.122 20 0 GGADRL C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000828232612 600944794 /nfs/dbraw/zinc/94/47/94/600944794.db2.gz IBEUZPBQBRJLCO-VHSXEESVSA-N -2 0 393.383 3.035 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n(-c2ccccc2C)n1 ZINC000832899998 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383.838 3.291 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccnn1-c1ccc(Cl)cc1 ZINC000832868793 600988331 /nfs/dbraw/zinc/98/83/31/600988331.db2.gz UBUGIIZGVRDBLP-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)cc1 ZINC000833239461 600988853 /nfs/dbraw/zinc/98/88/53/600988853.db2.gz QTBAXHVNLZEUFF-UHFFFAOYSA-N -2 0 391.232 3.043 20 0 GGADRL COCc1ccc([C@@H]2NC(=O)N(c3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])cc1 ZINC000737834369 601045323 /nfs/dbraw/zinc/04/53/23/601045323.db2.gz RQWLQZZGWKBLNJ-SFHVURJKSA-N -2 0 396.399 3.161 20 0 GGADRL Cc1c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000738203143 601046256 /nfs/dbraw/zinc/04/62/56/601046256.db2.gz UMZJWJOBNLZCJC-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c1C(=O)[O-] ZINC000388069555 601049480 /nfs/dbraw/zinc/04/94/80/601049480.db2.gz KNEPQVXZHXBTCE-UHFFFAOYSA-N -2 0 392.202 3.297 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2OC(F)F)c1 ZINC000740144399 601051459 /nfs/dbraw/zinc/05/14/59/601051459.db2.gz PLZBRAJWJTYBOT-UHFFFAOYSA-N -2 0 379.287 3.065 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccsc2)c(Br)cc1F ZINC000135354514 601116721 /nfs/dbraw/zinc/11/67/21/601116721.db2.gz WLAIBNWIALSXKE-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000831945500 601150008 /nfs/dbraw/zinc/15/00/08/601150008.db2.gz JBEVZHRELQYWCR-UHFFFAOYSA-N -2 0 397.352 3.154 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000831945975 601150372 /nfs/dbraw/zinc/15/03/72/601150372.db2.gz NPMMXMZVLSHMQI-UHFFFAOYSA-N -2 0 381.353 3.275 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(-c2nccs2)cc1 ZINC000831946300 601150415 /nfs/dbraw/zinc/15/04/15/601150415.db2.gz SNDQDHHIQPFWDA-UHFFFAOYSA-N -2 0 396.471 3.379 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(-c2coc(C)n2)cc1 ZINC000831945398 601150996 /nfs/dbraw/zinc/15/09/96/601150996.db2.gz GFZKDTTVRQGKOI-UHFFFAOYSA-N -2 0 394.430 3.219 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(C)c1 ZINC000831945459 601200502 /nfs/dbraw/zinc/20/05/02/601200502.db2.gz HLWHLJGUPVWDRX-UHFFFAOYSA-N -2 0 396.490 3.164 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ncc(C(C)(C)C)s1 ZINC000831949518 601201046 /nfs/dbraw/zinc/20/10/46/601201046.db2.gz ADKHVHKLBSLVDA-UHFFFAOYSA-N -2 0 376.481 3.010 20 0 GGADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000829527611 601202860 /nfs/dbraw/zinc/20/28/60/601202860.db2.gz IBKBKQPZCTYYQT-UHFFFAOYSA-N -2 0 385.463 3.353 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(COCC2CC2)c1 ZINC000831946267 601203127 /nfs/dbraw/zinc/20/31/27/601203127.db2.gz QPIIWQQITLIULU-UHFFFAOYSA-N -2 0 397.474 3.182 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(F)c(C(F)(F)F)c1 ZINC000831944921 601203902 /nfs/dbraw/zinc/20/39/02/601203902.db2.gz BUIBKJBZAJBYRC-UHFFFAOYSA-N -2 0 399.343 3.414 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(F)ccc1OC(C)C ZINC000831944923 601203983 /nfs/dbraw/zinc/20/39/83/601203983.db2.gz BXCGOZATYIEBKA-UHFFFAOYSA-N -2 0 389.426 3.182 20 0 GGADRL Cc1oc(S(=O)(=O)NCc2ccccc2OC2CCCC2)cc1C(=O)[O-] ZINC000565301567 601217497 /nfs/dbraw/zinc/21/74/97/601217497.db2.gz YPZQKRXNNMUGSX-UHFFFAOYSA-N -2 0 379.434 3.086 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(Oc3ccc(F)cc3)nc2)cc1C(=O)[O-] ZINC000833029094 601232097 /nfs/dbraw/zinc/23/20/97/601232097.db2.gz AYNVUICMNGFRJS-UHFFFAOYSA-N -2 0 392.364 3.413 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2ccc(-c3nc(C(C)C)no3)cc2)cc1C(=O)[O-] ZINC000833029632 601233351 /nfs/dbraw/zinc/23/33/51/601233351.db2.gz JVFGGTVLYTWWEN-UHFFFAOYSA-N -2 0 391.405 3.260 20 0 GGADRL Cc1oc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)(C)C)ccc2C)cc1C(=O)[O-] ZINC000832943091 601233913 /nfs/dbraw/zinc/23/39/13/601233913.db2.gz PCZZFMCCEVDHFH-UHFFFAOYSA-N -2 0 394.449 3.380 20 0 GGADRL CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)c2)n1 ZINC000370272255 601234422 /nfs/dbraw/zinc/23/44/22/601234422.db2.gz DPBPSPBVTHJGEL-UHFFFAOYSA-N -2 0 393.446 3.168 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000831945444 601235226 /nfs/dbraw/zinc/23/52/26/601235226.db2.gz HAQMCMWGQFLFGQ-UHFFFAOYSA-N -2 0 394.430 3.274 20 0 GGADRL O=C([O-])[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000833184207 601239458 /nfs/dbraw/zinc/23/94/58/601239458.db2.gz OIMZGSUCUHOCIA-IAGOWNOFSA-N -2 0 387.457 3.050 20 0 GGADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000833184206 601239513 /nfs/dbraw/zinc/23/95/13/601239513.db2.gz OIMZGSUCUHOCIA-DLBZAZTESA-N -2 0 387.457 3.050 20 0 GGADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccc(CNC(=O)[O-])cc2)n1 ZINC000832889102 601247426 /nfs/dbraw/zinc/24/74/26/601247426.db2.gz CZHUFVQHBTVIIM-UHFFFAOYSA-N -2 0 384.367 3.045 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000830232144 601250687 /nfs/dbraw/zinc/25/06/87/601250687.db2.gz BROQOIHTNONBPZ-UHFFFAOYSA-N -2 0 383.809 3.100 20 0 GGADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)n1 ZINC000832890537 601288360 /nfs/dbraw/zinc/28/83/60/601288360.db2.gz WCEVYVURIOZGBA-UHFFFAOYSA-N -2 0 398.394 3.388 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1Cl ZINC000013347548 601318682 /nfs/dbraw/zinc/31/86/82/601318682.db2.gz CYASAHCOZFWHGO-VMPITWQZSA-N -2 0 397.836 3.256 20 0 GGADRL COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000831384783 601319437 /nfs/dbraw/zinc/31/94/37/601319437.db2.gz AVKOFHRNXODYTM-WTKPLQERSA-N -2 0 395.820 3.025 20 0 GGADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000013278800 601319796 /nfs/dbraw/zinc/31/97/96/601319796.db2.gz GLSZYFUEYOYUQU-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c2cccnc12 ZINC000042676906 601319860 /nfs/dbraw/zinc/31/98/60/601319860.db2.gz HYSJYZFQSMDMIO-UHFFFAOYSA-N -2 0 392.820 3.396 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c(Cl)cc1Cl ZINC000324804505 601321710 /nfs/dbraw/zinc/32/17/10/601321710.db2.gz BDBBTCDELMKISY-UHFFFAOYSA-N -2 0 388.228 3.427 20 0 GGADRL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)no1 ZINC000832992620 601323715 /nfs/dbraw/zinc/32/37/15/601323715.db2.gz PLWXGMQOKANFSX-UHFFFAOYSA-N -2 0 387.417 3.161 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c(Cl)cc1Cl ZINC000391794443 601325728 /nfs/dbraw/zinc/32/57/28/601325728.db2.gz BYADMVZAEITYTA-UHFFFAOYSA-N -2 0 386.216 3.369 20 0 GGADRL CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737647124 601326328 /nfs/dbraw/zinc/32/63/28/601326328.db2.gz MBKUDAGQNIYHLT-UHFFFAOYSA-N -2 0 381.381 3.146 20 0 GGADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000831705432 601326573 /nfs/dbraw/zinc/32/65/73/601326573.db2.gz KOZWXIMRIXFSQG-XFXZXTDPSA-N -2 0 391.445 3.001 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000299133650 601327018 /nfs/dbraw/zinc/32/70/18/601327018.db2.gz FLWJALQCMPGUHK-UHFFFAOYSA-N -2 0 379.434 3.119 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)c(Cl)cc1Cl ZINC000755260720 601330268 /nfs/dbraw/zinc/33/02/68/601330268.db2.gz PHNSKKRCTWLVJA-UHFFFAOYSA-N -2 0 388.232 3.160 20 0 GGADRL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000832424919 601330407 /nfs/dbraw/zinc/33/04/07/601330407.db2.gz LFFYYMGUHKDDLZ-IZZDOVSWSA-N -2 0 391.445 3.381 20 0 GGADRL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000825884099 601330551 /nfs/dbraw/zinc/33/05/51/601330551.db2.gz ILNPVGRCHXCCQC-RUDMXATFSA-N -2 0 394.836 3.197 20 0 GGADRL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000825884100 601330597 /nfs/dbraw/zinc/33/05/97/601330597.db2.gz ILNPVGRCHXCCQC-WTKPLQERSA-N -2 0 394.836 3.197 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(C)(C)C ZINC000604305890 601330825 /nfs/dbraw/zinc/33/08/25/601330825.db2.gz JXTVNIKNCWOVPL-UHFFFAOYSA-N -2 0 379.434 3.372 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC000524640692 601332296 /nfs/dbraw/zinc/33/22/96/601332296.db2.gz OYJLZNZPEULCFP-UHFFFAOYSA-N -2 0 389.351 3.299 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1OCC1CC1 ZINC000524853180 601332532 /nfs/dbraw/zinc/33/25/32/601332532.db2.gz RHSQRXYJINTCMV-UHFFFAOYSA-N -2 0 395.408 3.122 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])ccc1Br ZINC000168854886 601333522 /nfs/dbraw/zinc/33/35/22/601333522.db2.gz LZVBUMAZLOWIGW-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000755256655 601334114 /nfs/dbraw/zinc/33/41/14/601334114.db2.gz KMOFSHMCSHYFKP-UHFFFAOYSA-N -2 0 391.232 3.204 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(-c2nc(C3CC3)no2)c1 ZINC000832953027 601335588 /nfs/dbraw/zinc/33/55/88/601335588.db2.gz YAXQTYWWIPOJTA-UHFFFAOYSA-N -2 0 389.389 3.014 20 0 GGADRL CCc1cccc(S(=O)(=O)[N-]c2nc3nc(C)cc(C(=O)[O-])c3s2)c1 ZINC000830270141 601338549 /nfs/dbraw/zinc/33/85/49/601338549.db2.gz MLQSHCLFFJPFPS-UHFFFAOYSA-N 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O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)ccc1F ZINC000833306450 601359274 /nfs/dbraw/zinc/35/92/74/601359274.db2.gz UTSGIBLUXPOQKV-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)/C=C\c3ccc(F)cc3)nc2n1 ZINC000832867363 601360469 /nfs/dbraw/zinc/36/04/69/601360469.db2.gz NCCNRJONAANERG-SREVYHEPSA-N -2 0 393.421 3.250 20 0 GGADRL Cc1nc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)ccc1Br ZINC000321936159 601361260 /nfs/dbraw/zinc/36/12/60/601361260.db2.gz KDFUPWMDNZKUJA-RUDMXATFSA-N -2 0 397.250 3.051 20 0 GGADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)no1 ZINC000827111975 601361788 /nfs/dbraw/zinc/36/17/88/601361788.db2.gz CJVRCBHIIDSHKU-UHFFFAOYSA-N -2 0 389.227 3.060 20 0 GGADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2C(=O)[O-])no1 ZINC000827112360 601361828 /nfs/dbraw/zinc/36/18/28/601361828.db2.gz FNQJGUMKWVPTTK-UHFFFAOYSA-N -2 0 389.227 3.060 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(CCc3ccccc3)ccn2)s1 ZINC000833323604 601366235 /nfs/dbraw/zinc/36/62/35/601366235.db2.gz QZRCGWAJGLPHEG-UHFFFAOYSA-N -2 0 388.470 3.427 20 0 GGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000832003908 601383941 /nfs/dbraw/zinc/38/39/41/601383941.db2.gz DAGNDLNVYLYXKI-UHFFFAOYSA-N -2 0 391.232 3.204 20 0 GGADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC000547559297 601387601 /nfs/dbraw/zinc/38/76/01/601387601.db2.gz PHZJGBXUPBZTMO-UHFFFAOYSA-N -2 0 391.371 3.057 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n(-c2cccc(Cl)c2)n1 ZINC000832899177 601402589 /nfs/dbraw/zinc/40/25/89/601402589.db2.gz FFLLIEORMZHPAF-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CC3)nn2-c2ccccc2)cs1 ZINC000833303968 601402788 /nfs/dbraw/zinc/40/27/88/601402788.db2.gz BGLOBOGVBHCTKC-UHFFFAOYSA-N -2 0 389.458 3.310 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c(Cl)cc1F ZINC000741200953 601484713 /nfs/dbraw/zinc/48/47/13/601484713.db2.gz LJOTZHMXUFEYKE-UHFFFAOYSA-N -2 0 383.706 3.395 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c(Cl)cc1F ZINC000749874535 601485895 /nfs/dbraw/zinc/48/58/95/601485895.db2.gz BDRSVASAOAQZGH-UHFFFAOYSA-N -2 0 397.811 3.497 20 0 GGADRL CCCCc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)ccc2[nH]1 ZINC000829441421 601485920 /nfs/dbraw/zinc/48/59/20/601485920.db2.gz USPBQCREQUFKAE-UHFFFAOYSA-N -2 0 377.422 3.306 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)c(Cl)c1 ZINC000489606570 601491713 /nfs/dbraw/zinc/49/17/13/601491713.db2.gz CZRRYFJVYYEBRB-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)cs1 ZINC000432483924 601491819 /nfs/dbraw/zinc/49/18/19/601491819.db2.gz RTGBSARXLJTWOD-UHFFFAOYSA-N -2 0 391.430 3.175 20 0 GGADRL CCCCc1nnc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000829441202 601502496 /nfs/dbraw/zinc/50/24/96/601502496.db2.gz RELKKWXYYBRWQG-UHFFFAOYSA-N -2 0 375.859 3.033 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc(C3CC3)s2)c(Cl)cc1Cl 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375.402 3.477 20 0 GGADRL Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)cc2)n1 ZINC000832983960 601559218 /nfs/dbraw/zinc/55/92/18/601559218.db2.gz KCBMNPLGQSOXFH-UHFFFAOYSA-N -2 0 391.430 3.138 20 0 GGADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000833346299 601603144 /nfs/dbraw/zinc/60/31/44/601603144.db2.gz HZMNLGKNHNBGQI-UHFFFAOYSA-N -2 0 386.760 3.314 20 0 GGADRL Cc1cc(C)c(-c2cc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)n[nH]2)cc1C ZINC000153170804 601604110 /nfs/dbraw/zinc/60/41/10/601604110.db2.gz FSZDCUNUXRTNSY-UHFFFAOYSA-N -2 0 399.472 3.430 20 0 GGADRL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])n[nH]1 ZINC000832975003 601604665 /nfs/dbraw/zinc/60/46/65/601604665.db2.gz SOYWQYJMRYDHHN-UHFFFAOYSA-N -2 0 375.381 3.023 20 0 GGADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)cc1 ZINC000674755404 601605017 /nfs/dbraw/zinc/60/50/17/601605017.db2.gz QAXTXNDOFVNMEB-UHFFFAOYSA-N -2 0 391.836 3.158 20 0 GGADRL Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)n[nH]2)c1 ZINC000754843241 601605266 /nfs/dbraw/zinc/60/52/66/601605266.db2.gz VIDNJNQPDOCLAV-UHFFFAOYSA-N -2 0 389.408 3.332 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])n[nH]2)s1 ZINC000832905510 601605363 /nfs/dbraw/zinc/60/53/63/601605363.db2.gz AMBNKRZIFCOFGJ-UHFFFAOYSA-N -2 0 381.410 3.085 20 0 GGADRL Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3ccsc3C(=O)[O-])n[nH]2)c1 ZINC000832873799 601605527 /nfs/dbraw/zinc/60/55/27/601605527.db2.gz AWSPHKJUSZZCAM-UHFFFAOYSA-N -2 0 377.447 3.254 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c1 ZINC000833317280 601605882 /nfs/dbraw/zinc/60/58/82/601605882.db2.gz QUWFDNADGCJZSX-UHFFFAOYSA-N -2 0 377.809 3.229 20 0 GGADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000833334398 601605888 /nfs/dbraw/zinc/60/58/88/601605888.db2.gz FGJQKRCQSQZXQF-UHFFFAOYSA-N -2 0 377.809 3.229 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccccc1CCC(F)(F)F ZINC000833345974 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C[C@@H](CS(=O)(=O)[N-][C@@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F)C(=O)[O-] ZINC000827552037 601780537 /nfs/dbraw/zinc/78/05/37/601780537.db2.gz IEOUFHCWKHZADM-GWCFXTLKSA-N -2 0 381.416 3.228 20 0 GGADRL C[C@H](CS(=O)(=O)[N-][C@H](c1ccc(C(C)(C)C)cc1)C(F)(F)F)C(=O)[O-] ZINC000827552049 601780619 /nfs/dbraw/zinc/78/06/19/601780619.db2.gz IEOUFHCWKHZADM-ZWNOBZJWSA-N -2 0 381.416 3.228 20 0 GGADRL Cn1cc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000833050854 601783943 /nfs/dbraw/zinc/78/39/43/601783943.db2.gz NOKDMCJRDJCRFU-UHFFFAOYSA-N -2 0 383.640 3.484 20 0 GGADRL Cn1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000833053073 601783951 /nfs/dbraw/zinc/78/39/51/601783951.db2.gz OQKIYVNMNSFYSA-UHFFFAOYSA-N -2 0 382.747 3.196 20 0 GGADRL Cn1cc([N-]S(=O)(=O)c2ccc(SC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000833053647 601785276 /nfs/dbraw/zinc/78/52/76/601785276.db2.gz ZQBLUBZGLHMETN-UHFFFAOYSA-N -2 0 380.369 3.136 20 0 GGADRL CCN1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2c[nH]c(C(=O)[O-])c2)C1 ZINC000829744772 601791173 /nfs/dbraw/zinc/79/11/73/601791173.db2.gz MMPKVIXIAGQMGV-QPEQYQDCSA-N -2 0 377.400 3.335 20 0 GGADRL CC(C)n1cnnc1-c1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000440306803 601794721 /nfs/dbraw/zinc/79/47/21/601794721.db2.gz WFXOYVWOPQVEAI-UHFFFAOYSA-N -2 0 392.462 3.087 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1 ZINC000833346590 601830890 /nfs/dbraw/zinc/83/08/90/601830890.db2.gz SLPOKMCQRRPTHB-UHFFFAOYSA-N -2 0 376.415 3.434 20 0 GGADRL CC(C)COc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1Cl ZINC000826905447 601834254 /nfs/dbraw/zinc/83/42/54/601834254.db2.gz LHRYBJGMFQJLTF-UHFFFAOYSA-N -2 0 390.870 3.330 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000833344855 601835233 /nfs/dbraw/zinc/83/52/33/601835233.db2.gz DZIFIOJWHBPTGQ-UHFFFAOYSA-N -2 0 391.430 3.175 20 0 GGADRL Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000832858531 601835786 /nfs/dbraw/zinc/83/57/86/601835786.db2.gz KXLCRQZMAXAACA-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1Cl ZINC000830085635 601835884 /nfs/dbraw/zinc/83/58/84/601835884.db2.gz ZMFBPYFJZXUXLB-UHFFFAOYSA-N -2 0 391.232 3.286 20 0 GGADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC000746354610 601836138 /nfs/dbraw/zinc/83/61/38/601836138.db2.gz USYZIJNOGJHVRS-UHFFFAOYSA-N -2 0 388.804 3.160 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c(Cl)cc1F ZINC000063877827 601836227 /nfs/dbraw/zinc/83/62/27/601836227.db2.gz KISUJFGZMABIDK-UHFFFAOYSA-N -2 0 397.767 3.085 20 0 GGADRL CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000826905864 601836505 /nfs/dbraw/zinc/83/65/05/601836505.db2.gz WJQFMCOLRPKFSX-UHFFFAOYSA-N -2 0 384.841 3.269 20 0 GGADRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877903 601837298 /nfs/dbraw/zinc/83/72/98/601837298.db2.gz URLVRRDOJBAWHY-UHFFFAOYSA-N -2 0 398.799 3.248 20 0 GGADRL CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000827033244 601837353 /nfs/dbraw/zinc/83/73/53/601837353.db2.gz AEKRWDSWYYWUDA-UHFFFAOYSA-N -2 0 384.841 3.159 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(COc2ccccc2)c1 ZINC000833347003 601837397 /nfs/dbraw/zinc/83/73/97/601837397.db2.gz ZIDCZTXIMDJVBV-UHFFFAOYSA-N -2 0 390.442 3.221 20 0 GGADRL CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000828765007 601837648 /nfs/dbraw/zinc/83/76/48/601837648.db2.gz SOCXOROBDRHSMR-JTQLQIEISA-N -2 0 384.841 3.411 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c2n[nH]cc21 ZINC000063878014 601838056 /nfs/dbraw/zinc/83/80/56/601838056.db2.gz LCHLBTHOGACSEZ-UHFFFAOYSA-N -2 0 383.788 3.163 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)c(Cl)cc1F ZINC000726930419 601839684 /nfs/dbraw/zinc/83/96/84/601839684.db2.gz NCAOOCVMPKQTPE-UHFFFAOYSA-N -2 0 397.771 3.028 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(Cl)cc1-n1cccc1 ZINC000833345234 601841596 /nfs/dbraw/zinc/84/15/96/601841596.db2.gz NZAXVKRJZGVZNG-UHFFFAOYSA-N -2 0 383.838 3.086 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)ccc1Cl ZINC000833306032 601844101 /nfs/dbraw/zinc/84/41/01/601844101.db2.gz NMEYVKKDWQXBSC-UHFFFAOYSA-N -2 0 380.731 3.253 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)ccc1Cl ZINC000833306207 601844225 /nfs/dbraw/zinc/84/42/25/601844225.db2.gz FICJZIFRMHBBBW-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc(-c3ccccc3)ns2)ccc1Cl ZINC000833306235 601844267 /nfs/dbraw/zinc/84/42/67/601844267.db2.gz LCKOPKGXVMUWBZ-UHFFFAOYSA-N -2 0 395.849 3.358 20 0 GGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])sc2C1 ZINC000829134058 601847543 /nfs/dbraw/zinc/84/75/43/601847543.db2.gz LFBWEKMUPQXFOS-SECBINFHSA-N -2 0 384.454 3.296 20 0 GGADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1nc2c(s1)CCCCCC2 ZINC000833294214 601847738 /nfs/dbraw/zinc/84/77/38/601847738.db2.gz NGRXNRLWKZJLGZ-UHFFFAOYSA-N -2 0 384.454 3.440 20 0 GGADRL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000829579238 601847792 /nfs/dbraw/zinc/84/77/92/601847792.db2.gz GEBPUHXUODPQEM-UHFFFAOYSA-N -2 0 377.397 3.084 20 0 GGADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccnn1-c1ccc(Cl)cc1 ZINC000833293580 601848002 /nfs/dbraw/zinc/84/80/02/601848002.db2.gz DBOPKWGXOSJAEP-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC000833312182 601848103 /nfs/dbraw/zinc/84/81/03/601848103.db2.gz LESQKEDANIEWGG-UHFFFAOYSA-N -2 0 397.334 3.148 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2cccc(Cl)c2F)NC(=O)N1CCCCC(=O)[O-] ZINC000828136899 601854445 /nfs/dbraw/zinc/85/44/45/601854445.db2.gz ZNCDTXSMUYICOW-OAHLLOKOSA-N -2 0 384.791 3.159 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccn([C@@H](C)c3ccccc3)n2)ccc1C(=O)[O-] ZINC000671660606 601854894 /nfs/dbraw/zinc/85/48/94/601854894.db2.gz TUHICEOXNGDTFH-AWEZNQCLSA-N -2 0 385.445 3.300 20 0 GGADRL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])n1 ZINC000827950947 601855644 /nfs/dbraw/zinc/85/56/44/601855644.db2.gz UFMODCNOJXCVRU-GFCCVEGCSA-N -2 0 389.408 3.131 20 0 GGADRL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000827951203 601855674 /nfs/dbraw/zinc/85/56/74/601855674.db2.gz WESKMLPYJPEMJU-RZXPCSSPSA-N -2 0 397.456 3.391 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c(Cl)cc1F ZINC000759677061 601855677 /nfs/dbraw/zinc/85/56/77/601855677.db2.gz BQJSIOCJYFXDCN-UHFFFAOYSA-N -2 0 391.779 3.326 20 0 GGADRL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC000827951200 601855683 /nfs/dbraw/zinc/85/56/83/601855683.db2.gz WESKMLPYJPEMJU-LMRWQKIVSA-N -2 0 397.456 3.391 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)c(F)cc1F ZINC000833304048 601856108 /nfs/dbraw/zinc/85/61/08/601856108.db2.gz MSNGSXLIAPFGBC-UHFFFAOYSA-N -2 0 397.277 3.204 20 0 GGADRL Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833060121 601964873 /nfs/dbraw/zinc/96/48/73/601964873.db2.gz QYYIBVOBUJPZMH-UHFFFAOYSA-N -2 0 381.429 3.106 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(Cl)cc1Br ZINC000833344795 601986569 /nfs/dbraw/zinc/98/65/69/601986569.db2.gz ALLMGKOOPGGXFY-UHFFFAOYSA-N -2 0 397.659 3.058 20 0 GGADRL COc1ccc([C@@H]2NC(=O)N(c3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])s1 ZINC000832273701 601991263 /nfs/dbraw/zinc/99/12/63/601991263.db2.gz UGWPPVXJJKDZNQ-HNNXBMFYSA-N -2 0 388.401 3.084 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nnc(-c3ccsc3)s2)c1C ZINC000832866875 602103897 /nfs/dbraw/zinc/10/38/97/602103897.db2.gz YDXUXMVMCJTFBQ-UHFFFAOYSA-N -2 0 395.487 3.382 20 0 GGADRL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cc1 ZINC000828770177 602104277 /nfs/dbraw/zinc/10/42/77/602104277.db2.gz FGYNQXNICNEWNT-LLVKDONJSA-N -2 0 383.495 3.260 20 0 GGADRL Cc1cc([C@H]2NC(=O)N(CCCCCC(=O)[O-])C(C)=C2C(=O)[O-])cnc1Cl ZINC000828135400 602111599 /nfs/dbraw/zinc/11/15/99/602111599.db2.gz NYRLEYIBXHTSSK-OAHLLOKOSA-N -2 0 395.843 3.113 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)c(C(=O)[O-])c1 ZINC000504666315 602112743 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Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)s1 ZINC000832999674 602119892 /nfs/dbraw/zinc/11/98/92/602119892.db2.gz YOEIOCBPSDMWTN-UHFFFAOYSA-N -2 0 398.506 3.304 20 0 GGADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c2ccccc12 ZINC000833258921 602124910 /nfs/dbraw/zinc/12/49/10/602124910.db2.gz AZNHVEPSCFWYDJ-UHFFFAOYSA-N -2 0 393.367 3.382 20 0 GGADRL O=C([O-])c1nscc1[N-]S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000833346407 602156542 /nfs/dbraw/zinc/15/65/42/602156542.db2.gz JRIIVWXSXQRPMX-SNAWJCMRSA-N -2 0 389.252 3.016 20 0 GGADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC000833318669 602170327 /nfs/dbraw/zinc/17/03/27/602170327.db2.gz UIVNQYYASXMMQO-UHFFFAOYSA-N -2 0 381.278 3.483 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2O)c(Cl)cc1Cl ZINC000755260275 602201110 /nfs/dbraw/zinc/20/11/10/602201110.db2.gz XKDITOGSDQMTTR-UHFFFAOYSA-N -2 0 380.180 3.337 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(-c2ncco2)c1 ZINC000366214243 602202629 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3.027 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CCCCCC2)[nH]n1 ZINC000832204176 602307999 /nfs/dbraw/zinc/30/79/99/602307999.db2.gz HZBJUIWUVXXBNZ-UHFFFAOYSA-N -2 0 393.465 3.355 20 0 GGADRL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(F)ccc1O ZINC000833312169 602308448 /nfs/dbraw/zinc/30/84/48/602308448.db2.gz KUYDSBJNRIWXJR-UHFFFAOYSA-N -2 0 379.287 3.049 20 0 GGADRL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000759171534 602309171 /nfs/dbraw/zinc/30/91/71/602309171.db2.gz HTPNACKFIGTUIE-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000830049396 602309360 /nfs/dbraw/zinc/30/93/60/602309360.db2.gz ADLUBPDMKUSSEV-UHFFFAOYSA-N -2 0 399.852 3.393 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)c(C(=O)[O-])c1 ZINC000758165731 602316937 /nfs/dbraw/zinc/31/69/37/602316937.db2.gz ZPWIEJWZBOPBGS-UHFFFAOYSA-N -2 0 383.809 3.050 20 0 GGADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C(C)=O)ccc2Cl)c1 ZINC000761891945 602317719 /nfs/dbraw/zinc/31/77/19/602317719.db2.gz PWFVXTKMYVDMAI-UHFFFAOYSA-N -2 0 383.809 3.050 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OCC(F)F)ccc1Cl ZINC000761907992 602319861 /nfs/dbraw/zinc/31/98/61/602319861.db2.gz INOAWCYNAWCHEQ-UHFFFAOYSA-N -2 0 391.779 3.483 20 0 GGADRL CCC(CC)CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000828859102 602384860 /nfs/dbraw/zinc/38/48/60/602384860.db2.gz OUZAZSRSCDIOOS-UHFFFAOYSA-N -2 0 381.372 3.035 20 0 GGADRL CCOc1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)ccc1OCC(=O)[O-] ZINC000830037383 604328739 /nfs/dbraw/zinc/32/87/39/604328739.db2.gz BSWYKQWKDXGCGX-UHFFFAOYSA-N -2 0 388.401 3.231 20 0 GGADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1ccc(F)cc1OC1CCCC1 ZINC000833345073 604400016 /nfs/dbraw/zinc/40/00/16/604400016.db2.gz KQDNJZDDVNQKSG-UHFFFAOYSA-N -2 0 386.426 3.103 20 0 GGADRL Cc1cc(C)cc(-c2nnc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)s2)c1 ZINC000832875255 604402527 /nfs/dbraw/zinc/40/25/27/604402527.db2.gz QJTAHPDTSKXJAB-UHFFFAOYSA-N -2 0 389.458 3.321 20 0 GGADRL CC(C)(CCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000833457061 604495594 /nfs/dbraw/zinc/49/55/94/604495594.db2.gz JPKUZCTXEYJOAY-UHFFFAOYSA-N -2 0 381.475 3.009 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2ccc(F)c(Cl)c2)NC(=O)N1CCCCC(=O)[O-] ZINC000833576347 604558058 /nfs/dbraw/zinc/55/80/58/604558058.db2.gz IMYYOKIHISHTFB-HNNXBMFYSA-N -2 0 384.791 3.159 20 0 GGADRL C/C(=C/c1ccccc1Cl)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000833385936 604603521 /nfs/dbraw/zinc/60/35/21/604603521.db2.gz KGOCZKFDMPKVGK-HJWRWDBZSA-N -2 0 385.850 3.008 20 0 GGADRL C/C(=C\c1ccccc1Cl)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000833386338 604608890 /nfs/dbraw/zinc/60/88/90/604608890.db2.gz NOONNYFLPFAHJD-ZRDIBKRKSA-N -2 0 393.848 3.088 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ncc(Br)cc2C)c1C ZINC000391175383 604620669 /nfs/dbraw/zinc/62/06/69/604620669.db2.gz HRCNTBVFPTXFJP-UHFFFAOYSA-N -2 0 399.266 3.268 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)cc1C(F)(F)F ZINC000832956506 604623239 /nfs/dbraw/zinc/62/32/39/604623239.db2.gz ITAFHLGPTIGPKO-UHFFFAOYSA-N -2 0 394.396 3.288 20 0 GGADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)n1 ZINC000833243220 604624991 /nfs/dbraw/zinc/62/49/91/604624991.db2.gz CTMHXYYBKYZFBG-UHFFFAOYSA-N -2 0 396.490 3.283 20 0 GGADRL O=C([O-])CCc1csc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000833243161 604625041 /nfs/dbraw/zinc/62/50/41/604625041.db2.gz AOXDIFKFQPXITD-UHFFFAOYSA-N -2 0 381.262 3.268 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)c1 ZINC000130395730 604632131 /nfs/dbraw/zinc/63/21/31/604632131.db2.gz HTFSENQBAPECLW-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC000316689790 604641936 /nfs/dbraw/zinc/64/19/36/604641936.db2.gz HAXZVMYJXHOXOY-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)cc2s1 ZINC000833450474 604688780 /nfs/dbraw/zinc/68/87/80/604688780.db2.gz DJBKLYABWBNISI-UHFFFAOYSA-N -2 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ZINC000833259147 604807469 /nfs/dbraw/zinc/80/74/69/604807469.db2.gz KHUPJQMYGCHRMP-UHFFFAOYSA-N -2 0 394.207 3.397 20 0 GGADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1Cl ZINC000833258942 604807492 /nfs/dbraw/zinc/80/74/92/604807492.db2.gz CLLFXFTVKYJHNJ-UHFFFAOYSA-N -2 0 381.793 3.350 20 0 GGADRL Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)c2C)o1 ZINC000433611319 604807987 /nfs/dbraw/zinc/80/79/87/604807987.db2.gz AVXPTWZZUZJFLA-UHFFFAOYSA-N -2 0 375.406 3.094 20 0 GGADRL Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)c2C)o1 ZINC000507880520 604808084 /nfs/dbraw/zinc/80/80/84/604808084.db2.gz XUDJQUAQLOUHMM-UHFFFAOYSA-N -2 0 375.406 3.094 20 0 GGADRL Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)c2C)o1 ZINC000135405577 604808239 /nfs/dbraw/zinc/80/82/39/604808239.db2.gz NVVXKHYNFOSLJT-UHFFFAOYSA-N -2 0 389.433 3.402 20 0 GGADRL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(Cl)ccc3C(=O)[O-])c2C)o1 ZINC000832907224 604809144 /nfs/dbraw/zinc/80/91/44/604809144.db2.gz 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1398416014 /nfs/dbraw/zinc/41/60/14/1398416014.db2.gz FIIKNXPGHJWWBE-UHFFFAOYSA-N -2 0 399.852 3.473 20 0 GGADRL CC(C)c1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000055633391 1407032698 /nfs/dbraw/zinc/03/26/98/1407032698.db2.gz IZDQYFKUMHEOOL-UHFFFAOYSA-N -2 0 386.433 3.094 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)cc1C(=O)[O-] ZINC000055635601 1407034356 /nfs/dbraw/zinc/03/43/56/1407034356.db2.gz UFRIJNJELSNKHX-UHFFFAOYSA-N -2 0 385.445 3.047 20 0 GGADRL Cc1nnc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)o1 ZINC000042792110 1400416289 /nfs/dbraw/zinc/41/62/89/1400416289.db2.gz SCDRRSQRZJFXJC-UHFFFAOYSA-N -2 0 387.417 3.161 20 0 GGADRL CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000045774684 1404200549 /nfs/dbraw/zinc/20/05/49/1404200549.db2.gz QNTRBHLFBRUVOD-UHFFFAOYSA-N -2 0 396.490 3.038 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000052471861 1406061523 /nfs/dbraw/zinc/06/15/23/1406061523.db2.gz WEOAUQHBIOKJIT-UHFFFAOYSA-N -2 0 390.295 3.113 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCC(C)C)c1 ZINC000057119055 1407523347 /nfs/dbraw/zinc/52/33/47/1407523347.db2.gz HXKLKHPOTXOLHI-UHFFFAOYSA-N -2 0 393.461 3.158 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2OC[C@H]2CCCCO2)c1 ZINC000057124621 1407528172 /nfs/dbraw/zinc/52/81/72/1407528172.db2.gz QVDNBBCBDSTBMD-OAHLLOKOSA-N -2 0 391.445 3.134 20 0 GGADRL COc1cc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc([N+](=O)[O-])c1[O-] ZINC000057826148 1407730973 /nfs/dbraw/zinc/73/09/73/1407730973.db2.gz IRSQTYFCTWPWBP-MDWZMJQESA-N -2 0 394.339 3.052 20 0 GGADRL C[C@H](Oc1cccc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)c1)C(=O)[O-] ZINC000058465144 1407832912 /nfs/dbraw/zinc/83/29/12/1407832912.db2.gz HVUFHYQJPPAQJO-VFNNOXKTSA-N -2 0 384.384 3.288 20 0 GGADRL COC(=O)c1cc(C(C)C)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000060839424 1408040184 /nfs/dbraw/zinc/04/01/84/1408040184.db2.gz RSOUDQUKENEAEW-UHFFFAOYSA-N -2 0 391.445 3.404 20 0 GGADRL CC(C)c1cccc(N(C)S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC000063181939 1408312650 /nfs/dbraw/zinc/31/26/50/1408312650.db2.gz LCXHBMNCUMNOMC-UHFFFAOYSA-N -2 0 377.418 3.032 20 0 GGADRL CC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000064611632 1408586004 /nfs/dbraw/zinc/58/60/04/1408586004.db2.gz MPVPWAVRKIQAKX-UHFFFAOYSA-N -2 0 390.461 3.317 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCSC)cc1 ZINC000067899538 1409252150 /nfs/dbraw/zinc/25/21/50/1409252150.db2.gz NVHOXPSOFRCYGI-UHFFFAOYSA-N -2 0 395.502 3.029 20 0 GGADRL CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(OCC)c(C(=O)[O-])c1 ZINC000068076930 1409293789 /nfs/dbraw/zinc/29/37/89/1409293789.db2.gz JWLHUKVNDOIPBR-UHFFFAOYSA-N -2 0 383.397 3.122 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3Cl)c2)c(F)c1 ZINC000078938676 1409945648 /nfs/dbraw/zinc/94/56/48/1409945648.db2.gz JVUYNKPPIGWSJC-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL Cc1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)c1 ZINC000097992589 1410393114 /nfs/dbraw/zinc/39/31/14/1410393114.db2.gz TWBMMOCFYUISLL-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000121711798 1414232213 /nfs/dbraw/zinc/23/22/13/1414232213.db2.gz BJAHBEFTBBNPFI-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C(CC1CCSCC1)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826404521 1428804251 /nfs/dbraw/zinc/80/42/51/1428804251.db2.gz CTATWIYWWWEAJU-UHFFFAOYSA-N -2 0 386.506 3.462 20 0 GGADRL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F ZINC000126809431 1415565596 /nfs/dbraw/zinc/56/55/96/1415565596.db2.gz JHNXGGCWJLALOI-UHFFFAOYSA-N -2 0 392.767 3.291 20 0 GGADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000133987187 1417006099 /nfs/dbraw/zinc/00/60/99/1417006099.db2.gz SBTPAZSYISDKAA-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000134618819 1417098155 /nfs/dbraw/zinc/09/81/55/1417098155.db2.gz DFBPMYCBVFNTLP-UHFFFAOYSA-N -2 0 385.445 3.080 20 0 GGADRL Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000134677339 1417111445 /nfs/dbraw/zinc/11/14/45/1417111445.db2.gz YJRJEJIOWNEYLG-UHFFFAOYSA-N -2 0 394.355 3.427 20 0 GGADRL O=S(=O)([N-]c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cc(F)cc(Cl)c1 ZINC000826493139 1429177168 /nfs/dbraw/zinc/17/71/68/1429177168.db2.gz VJUHBNRMKZSITL-UHFFFAOYSA-N -2 0 388.211 3.113 20 0 GGADRL CCc1ccc(S(=O)(=O)[N-]c2nn(-c3ccccc3)cc2C)cc1C(=O)[O-] ZINC000137472846 1417387706 /nfs/dbraw/zinc/38/77/06/1417387706.db2.gz CDYHNVJLUHHWRK-UHFFFAOYSA-N -2 0 385.445 3.242 20 0 GGADRL CCc1ccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2C)cc1C(=O)[O-] ZINC000137694488 1417392951 /nfs/dbraw/zinc/39/29/51/1417392951.db2.gz TVXPBFQDHPAKON-UHFFFAOYSA-N -2 0 385.445 3.242 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cnn1CCC(C)C ZINC000137787889 1417395039 /nfs/dbraw/zinc/39/50/39/1417395039.db2.gz KYLSQYYHDXSUAU-UHFFFAOYSA-N -2 0 379.482 3.353 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CCC(C)C)c1C ZINC000137808365 1417395672 /nfs/dbraw/zinc/39/56/72/1417395672.db2.gz TWRNTHVZNSYMKT-UHFFFAOYSA-N -2 0 379.482 3.299 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc(C(=O)[O-])c1F ZINC000150735456 1417794169 /nfs/dbraw/zinc/79/41/69/1417794169.db2.gz PKESGTRBVYJIKS-UHFFFAOYSA-N -2 0 381.410 3.085 20 0 GGADRL Cc1cc(C(=O)N2CCCc3cc(C(C)C)ccc32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000151659134 1418052973 /nfs/dbraw/zinc/05/29/73/1418052973.db2.gz AWADUBSNXPIWPU-UHFFFAOYSA-N -2 0 378.432 3.049 20 0 GGADRL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)cc2)o1 ZINC000179242652 1429303176 /nfs/dbraw/zinc/30/31/76/1429303176.db2.gz TZEIZEMTJRDQKH-UHFFFAOYSA-N -2 0 394.355 3.427 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000152570528 1422147848 /nfs/dbraw/zinc/14/78/48/1422147848.db2.gz DOAWSYGQJQSBBF-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cnn1-c1ccccc1 ZINC000152586938 1422153105 /nfs/dbraw/zinc/15/31/05/1422153105.db2.gz SCPREVWLWWNMKY-UHFFFAOYSA-N -2 0 397.456 3.168 20 0 GGADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cccc(C)c1-c1nn[n-]n1 ZINC000826299422 1429575425 /nfs/dbraw/zinc/57/54/25/1429575425.db2.gz DQGJCSFLTLZHMY-UHFFFAOYSA-N -2 0 387.396 3.170 20 0 GGADRL CC(C)(c1nnc([N-]C(=O)c2cc(-c3nn[n-]n3)cs2)s1)c1ccccc1 ZINC000820005249 1423244657 /nfs/dbraw/zinc/24/46/57/1423244657.db2.gz NPPVXYFKSPEMFV-UHFFFAOYSA-N -2 0 397.489 3.358 20 0 GGADRL O=C(Nc1cc(-c2nnn[n-]2)ccc1O)c1ccccc1CCC(F)(F)F ZINC000826450808 1423523247 /nfs/dbraw/zinc/52/32/47/1423523247.db2.gz DZAVNIUWQGICOD-UHFFFAOYSA-N -2 0 377.326 3.320 20 0 GGADRL CC(C)(CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1)C(=O)[O-] ZINC000819975719 1423694418 /nfs/dbraw/zinc/69/44/18/1423694418.db2.gz AFEDXLOWPLFJQP-UHFFFAOYSA-N -2 0 399.382 3.238 20 0 GGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1C(=O)[O-] ZINC000156301091 1423765198 /nfs/dbraw/zinc/76/51/98/1423765198.db2.gz PXXRHEJFFNMZCN-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)cc1C(=O)[O-] ZINC000156302724 1423766439 /nfs/dbraw/zinc/76/64/39/1423766439.db2.gz SIUGBUWIKQODDP-UHFFFAOYSA-N -2 0 396.415 3.372 20 0 GGADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000156331126 1423782604 /nfs/dbraw/zinc/78/26/04/1423782604.db2.gz BTLBERYMNGCUKD-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1cc(F)c(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc1C(=O)[O-] ZINC000156354466 1423794046 /nfs/dbraw/zinc/79/40/46/1423794046.db2.gz WQRHIVWYEYQDIC-UHFFFAOYSA-N -2 0 381.410 3.085 20 0 GGADRL Cc1ccc(-c2n[nH]c([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3F)c2C)o1 ZINC000156367692 1423800156 /nfs/dbraw/zinc/80/01/56/1423800156.db2.gz XWUKKAUHFKSGPZ-UHFFFAOYSA-N -2 0 393.396 3.233 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cnn1-c1ccccc1 ZINC000156368938 1423800504 /nfs/dbraw/zinc/80/05/04/1423800504.db2.gz FGLMMECUKJHAOV-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1cc(C(=O)Nc2ccccc2CCC(F)(F)F)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000157095199 1423924200 /nfs/dbraw/zinc/92/42/00/1423924200.db2.gz KYTSSPHSZQNCQP-UHFFFAOYSA-N -2 0 392.337 3.079 20 0 GGADRL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccccc1-c1ccccc1 ZINC000121123512 1424215574 /nfs/dbraw/zinc/21/55/74/1424215574.db2.gz FJURDALSCAHBOK-UHFFFAOYSA-N -2 0 377.429 3.335 20 0 GGADRL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1 ZINC000160046246 1424566888 /nfs/dbraw/zinc/56/68/88/1424566888.db2.gz YEDBLZQMOCHCPY-UHFFFAOYSA-N -2 0 394.355 3.482 20 0 GGADRL Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)c2C)o1 ZINC000160309591 1424594586 /nfs/dbraw/zinc/59/45/86/1424594586.db2.gz CSXKLSHJVHFICC-UHFFFAOYSA-N -2 0 397.359 3.064 20 0 GGADRL Cc1cscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000161611457 1424724753 /nfs/dbraw/zinc/72/47/53/1424724753.db2.gz GGALMVVWKXJTIW-UHFFFAOYSA-N -2 0 382.282 3.380 20 0 GGADRL C[C@H](NC(=O)[N-]c1nnc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380395 1425062349 /nfs/dbraw/zinc/06/23/49/1425062349.db2.gz RVEABZDCQBNWPP-NSHDSACASA-N -2 0 392.448 3.268 20 0 GGADRL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]c1nnc(CC2CCCCC2)s1 ZINC000737798103 1425642473 /nfs/dbraw/zinc/64/24/73/1425642473.db2.gz GJYOMXVHXLNUBN-ZHACJKMWSA-N -2 0 395.492 3.493 20 0 GGADRL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000821394147 1425777323 /nfs/dbraw/zinc/77/73/23/1425777323.db2.gz HZSHLUASCBISCR-UHFFFAOYSA-N -2 0 393.856 3.028 20 0 GGADRL O=S(=O)([N-]c1csc2ccccc12)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826493037 1425777815 /nfs/dbraw/zinc/77/78/15/1425777815.db2.gz PQGJJOKWNRHDNZ-UHFFFAOYSA-N -2 0 393.400 3.160 20 0 GGADRL CSc1ccc(S(=O)(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826230784 1426113336 /nfs/dbraw/zinc/11/33/36/1426113336.db2.gz JWHPSANTQJNYSE-UHFFFAOYSA-N -2 0 381.870 3.043 20 0 GGADRL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC000737301449 1426313443 /nfs/dbraw/zinc/31/34/43/1426313443.db2.gz OAOFKNJANZEEKD-UHFFFAOYSA-N -2 0 392.444 3.038 20 0 GGADRL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]c1nc(-c2cccs2)ns1 ZINC000826402565 1426648179 /nfs/dbraw/zinc/64/81/79/1426648179.db2.gz XGHPEXDNPANTNV-FPLPWBNLSA-N -2 0 381.446 3.099 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826303848 1426697224 /nfs/dbraw/zinc/69/72/24/1426697224.db2.gz INZSXKZIYOUEIW-UHFFFAOYSA-N -2 0 397.382 3.081 20 0 GGADRL O=S(=O)([N-]c1csc2ccccc12)c1ccc(-c2nnn[n-]2)cc1F ZINC000826492959 1426734833 /nfs/dbraw/zinc/73/48/33/1426734833.db2.gz NDRZWDLHCXDZSD-UHFFFAOYSA-N -2 0 375.410 3.021 20 0 GGADRL O=S(=O)([N-]c1cccc2ccccc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823588720 1426949783 /nfs/dbraw/zinc/94/97/83/1426949783.db2.gz ADQNVWVTFAUEHY-UHFFFAOYSA-N -2 0 387.371 3.099 20 0 GGADRL CCc1nnc(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)s1 ZINC000825767847 1426965700 /nfs/dbraw/zinc/96/57/00/1426965700.db2.gz QRVTZEYPOFWKLE-UHFFFAOYSA-N -2 0 393.432 3.325 20 0 GGADRL Cc1cscc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826321382 1426999797 /nfs/dbraw/zinc/99/97/97/1426999797.db2.gz CSPPFDACAWZYPB-UHFFFAOYSA-N -2 0 389.384 3.056 20 0 GGADRL Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)Nc1cccc(Cl)c1[O-] ZINC000737548319 1427088304 /nfs/dbraw/zinc/08/83/04/1427088304.db2.gz NYBIPNOEQJNAMY-UHFFFAOYSA-N -2 0 384.783 3.170 20 0 GGADRL Cc1ccc(-c2nsc([N-]C(=O)c3ccc(-c4nn[n-]n4)s3)n2)s1 ZINC000822223892 1427126685 /nfs/dbraw/zinc/12/66/85/1427126685.db2.gz OGHZGYNHMQWINR-UHFFFAOYSA-N -2 0 375.464 3.069 20 0 GGADRL O=C(c1cccc(Cl)c1[O-])N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826473587 1427225985 /nfs/dbraw/zinc/22/59/85/1427225985.db2.gz DVIRVOMLUCICJP-UHFFFAOYSA-N -2 0 381.823 3.155 20 0 GGADRL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000825480805 1427268760 /nfs/dbraw/zinc/26/87/60/1427268760.db2.gz LWUPSLGDHWISAE-UHFFFAOYSA-N -2 0 392.872 3.061 20 0 GGADRL Cc1ccc(C(=O)C(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826281233 1427310493 /nfs/dbraw/zinc/31/04/93/1427310493.db2.gz KDHHSTIBORUYSZ-UHFFFAOYSA-N -2 0 390.428 3.120 20 0 GGADRL O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492290 1427780284 /nfs/dbraw/zinc/78/02/84/1427780284.db2.gz BECRAMDHTHQWNQ-UHFFFAOYSA-N -2 0 388.211 3.113 20 0 GGADRL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000824756861 1427976483 /nfs/dbraw/zinc/97/64/83/1427976483.db2.gz QXPCYRXYTDDHCG-MRVPVSSYSA-N -2 0 394.218 3.285 20 0 GGADRL CSc1cccc(NS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1C ZINC000826230681 1430103689 /nfs/dbraw/zinc/10/36/89/1430103689.db2.gz FJCKRMBPLUXBFS-UHFFFAOYSA-N -2 0 375.479 3.006 20 0 GGADRL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]c1nc(-c2cccs2)ns1 ZINC000826402564 1430187449 /nfs/dbraw/zinc/18/74/49/1430187449.db2.gz XGHPEXDNPANTNV-BQYQJAHWSA-N -2 0 381.446 3.099 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1Cl ZINC000826291513 1430219281 /nfs/dbraw/zinc/21/92/81/1430219281.db2.gz JPPUYKJKUYJMNM-UHFFFAOYSA-N -2 0 384.248 3.283 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cnc(Br)c(C)c2)c(C)c1C(=O)[O-] ZINC000181177539 1430239144 /nfs/dbraw/zinc/23/91/44/1430239144.db2.gz DCCISUVDBRVIEF-UHFFFAOYSA-N -2 0 399.266 3.268 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cnc1Br ZINC000181177947 1430239215 /nfs/dbraw/zinc/23/92/15/1430239215.db2.gz GTRSBXICGQNZDF-UHFFFAOYSA-N -2 0 399.266 3.268 20 0 GGADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000181737547 1430350402 /nfs/dbraw/zinc/35/04/02/1430350402.db2.gz DYCVERGTGIPYQV-UHFFFAOYSA-N -2 0 393.509 3.364 20 0 GGADRL Cc1ccc(NC(=O)N[N-]C(=O)c2nn(-c3ccccc3)cc2[O-])c(Cl)c1 ZINC000182713991 1430524911 /nfs/dbraw/zinc/52/49/11/1430524911.db2.gz HUEJNIGITZQITI-UHFFFAOYSA-N -2 0 385.811 3.006 20 0 GGADRL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000184535597 1430899962 /nfs/dbraw/zinc/89/99/62/1430899962.db2.gz MAXQUFCLZMPBAR-UHFFFAOYSA-N -2 0 389.260 3.202 20 0 GGADRL CSc1ccc(S(=O)(=O)[N-][N-]C(=O)c2cc3ccccc3o2)cc1Cl ZINC000184864207 1431006748 /nfs/dbraw/zinc/00/67/48/1431006748.db2.gz MGZFRCKFABSJDU-UHFFFAOYSA-N -2 0 396.877 3.431 20 0 GGADRL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c2ncccc12 ZINC000184874701 1431009379 /nfs/dbraw/zinc/00/93/79/1431009379.db2.gz XQMQWLCVYLSWFP-UHFFFAOYSA-N -2 0 379.781 3.303 20 0 GGADRL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)cn1 ZINC000187716219 1431803195 /nfs/dbraw/zinc/80/31/95/1431803195.db2.gz YTSRUQWOUSFUIO-MRVPVSSYSA-N -2 0 387.820 3.146 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3cc(C)ccc3F)[nH]n2)sc1C(=O)[O-] ZINC000188533256 1431892757 /nfs/dbraw/zinc/89/27/57/1431892757.db2.gz ZSWWIZRHVZBVJH-UHFFFAOYSA-N -2 0 395.437 3.393 20 0 GGADRL Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000190379790 1432370196 /nfs/dbraw/zinc/37/01/96/1432370196.db2.gz KSPNQIAYVWMOLQ-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1ccc(-n2cc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cn2)c(C)c1 ZINC000191897126 1432750224 /nfs/dbraw/zinc/75/02/24/1432750224.db2.gz BHFBVJIBVWFAPW-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000193498122 1433009369 /nfs/dbraw/zinc/00/93/69/1433009369.db2.gz LHGHEHSIDPVHCA-UHFFFAOYSA-N -2 0 379.196 3.335 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cnn1C1CCCC1 ZINC000194220472 1433141644 /nfs/dbraw/zinc/14/16/44/1433141644.db2.gz SMMIWURLJKETBE-UHFFFAOYSA-N -2 0 377.466 3.422 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cnn1C1CCCC1 ZINC000194222030 1433141861 /nfs/dbraw/zinc/14/18/61/1433141861.db2.gz OYCRIIJRFJPDLM-UHFFFAOYSA-N -2 0 389.477 3.294 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)c(C)c2)sc1C(=O)[O-] ZINC000264667517 1434141955 /nfs/dbraw/zinc/14/19/55/1434141955.db2.gz VJWVPNQZRLRGCW-UHFFFAOYSA-N -2 0 396.490 3.002 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(C)(C)C ZINC000265253569 1434207594 /nfs/dbraw/zinc/20/75/94/1434207594.db2.gz KSICEDKLLLUAEQ-UHFFFAOYSA-N -2 0 393.461 3.300 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)cc1 ZINC000266059880 1434300225 /nfs/dbraw/zinc/30/02/25/1434300225.db2.gz IIZDEGPHFYKYDL-UHFFFAOYSA-N -2 0 393.461 3.300 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(NC(=O)C(C)(C)C)ccc1C ZINC000266811640 1434377976 /nfs/dbraw/zinc/37/79/76/1434377976.db2.gz VYHYQRLQYKYJCT-UHFFFAOYSA-N -2 0 394.449 3.380 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1C(=O)[O-] ZINC000270994923 1434794081 /nfs/dbraw/zinc/79/40/81/1434794081.db2.gz AVQJEHXBWAPRRZ-LBPRGKRZSA-N -2 0 393.490 3.401 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1C(=O)[O-] ZINC000270998127 1434794233 /nfs/dbraw/zinc/79/42/33/1434794233.db2.gz BMGLNJYUTXUQOT-UHFFFAOYSA-N -2 0 375.406 3.026 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(C)(C)C)c1O ZINC000274817520 1435095282 /nfs/dbraw/zinc/09/52/82/1435095282.db2.gz RMIARNRDWUFKJM-UHFFFAOYSA-N -2 0 393.461 3.126 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cnn1CCC(C)C ZINC000276907516 1435241797 /nfs/dbraw/zinc/24/17/97/1435241797.db2.gz MTQRCTMOELDXJC-UHFFFAOYSA-N -2 0 393.509 3.310 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000825716928 1441449961 /nfs/dbraw/zinc/44/99/61/1441449961.db2.gz CYUNYRYDWFFADR-UHFFFAOYSA-N -2 0 381.820 3.022 20 0 GGADRL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC000826280385 1441565455 /nfs/dbraw/zinc/56/54/55/1441565455.db2.gz ZVEYXLGAQBHAIR-UHFFFAOYSA-N -2 0 398.473 3.099 20 0 GGADRL O=C([N-]c1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1)C1=CCCC1 ZINC000823382631 1441571828 /nfs/dbraw/zinc/57/18/28/1441571828.db2.gz BFXVGJKHEQKOGY-UHFFFAOYSA-N -2 0 385.478 3.059 20 0 GGADRL O=S(=O)([N-]c1ccc(CCC(F)(F)F)cc1)c1ccccc1-c1nn[n-]n1 ZINC000823588741 1441832045 /nfs/dbraw/zinc/83/20/45/1441832045.db2.gz ASXNFEBCJWFBFY-UHFFFAOYSA-N -2 0 397.382 3.162 20 0 GGADRL COc1ccc(-c2nc(S[C@@H]3C=CCCC3)[nH]c(=O)c2-c2nnn[n-]2)cc1 ZINC000737058450 1442295769 /nfs/dbraw/zinc/29/57/69/1442295769.db2.gz XXBIEBVSJGJLOW-CYBMUJFWSA-N -2 0 382.449 3.239 20 0 GGADRL O=C(Nc1cc(-c2nnn[n-]2)ccc1O)c1cc(-c2ccccc2Cl)on1 ZINC000823294843 1442481564 /nfs/dbraw/zinc/48/15/64/1442481564.db2.gz UKKZPPSYNJSODK-UHFFFAOYSA-N -2 0 382.767 3.133 20 0 GGADRL CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2O)cc1 ZINC000819947010 1443500772 /nfs/dbraw/zinc/50/07/72/1443500772.db2.gz ZFMQPJRYJHERAC-UHFFFAOYSA-N -2 0 396.407 3.172 20 0 GGADRL COc1cc(F)cc2sc(NC(=O)C=Cc3ccccc3-c3nnn[n-]3)nc21 ZINC000737053713 1443544362 /nfs/dbraw/zinc/54/43/62/1443544362.db2.gz KZJYBXHVSLGXPW-SREVYHEPSA-N -2 0 396.407 3.276 20 0 GGADRL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]c1nc(Sc2ccccc2)ns1 ZINC000737956472 1443549284 /nfs/dbraw/zinc/54/92/84/1443549284.db2.gz ZVEXYILRXKHHGL-UHFFFAOYSA-N -2 0 395.473 3.051 20 0 GGADRL C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820396564 1443781337 /nfs/dbraw/zinc/78/13/37/1443781337.db2.gz GWDXGVZVFZMBPL-MRVPVSSYSA-N -2 0 378.219 3.370 20 0 GGADRL C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000735976357 1443941557 /nfs/dbraw/zinc/94/15/57/1443941557.db2.gz MRUUXVYRQSOROA-SFHVURJKSA-N -2 0 375.404 3.006 20 0 GGADRL CCCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825348381 1446304843 /nfs/dbraw/zinc/30/48/43/1446304843.db2.gz IAVXFGGVCMGDJZ-UHFFFAOYSA-N -2 0 377.857 3.273 20 0 GGADRL Cc1ccc(NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1C(F)(F)F ZINC000737360860 1446304872 /nfs/dbraw/zinc/30/48/72/1446304872.db2.gz CSJNZBNBVZMWDI-UHFFFAOYSA-N -2 0 397.382 3.303 20 0 GGADRL CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000820183957 1446351153 /nfs/dbraw/zinc/35/11/53/1446351153.db2.gz PCXXONFDJBUMOI-UHFFFAOYSA-N -2 0 393.469 3.307 20 0 GGADRL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000825481048 1446377048 /nfs/dbraw/zinc/37/70/48/1446377048.db2.gz SLJSDGNKBVCPBW-UHFFFAOYSA-N -2 0 392.872 3.061 20 0 GGADRL CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OCCC(=O)[O-])cc1 ZINC000825353343 1446538258 /nfs/dbraw/zinc/53/82/58/1446538258.db2.gz WHGAAENPJQCMSE-UHFFFAOYSA-N -2 0 392.419 3.147 20 0 GGADRL CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000736818008 1446571707 /nfs/dbraw/zinc/57/17/07/1446571707.db2.gz KUIJEVNIBFVTLQ-UHFFFAOYSA-N -2 0 378.219 3.151 20 0 GGADRL O=C(Cc1cccc(F)c1F)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826423472 1446747285 /nfs/dbraw/zinc/74/72/85/1446747285.db2.gz QJFOHJMEHDTMIH-UHFFFAOYSA-N -2 0 398.398 3.450 20 0 GGADRL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]c1cc(-c2ccccc2F)no1 ZINC000736183306 1447116119 /nfs/dbraw/zinc/11/61/19/1447116119.db2.gz JMUASTUWAQJZKU-NSHDSACASA-N -2 0 394.366 3.067 20 0 GGADRL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000825632663 1447252253 /nfs/dbraw/zinc/25/22/53/1447252253.db2.gz ZFYAAJLGWWFMKJ-UHFFFAOYSA-N -2 0 393.856 3.028 20 0 GGADRL CCSc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000825673784 1447284961 /nfs/dbraw/zinc/28/49/61/1447284961.db2.gz BVOBEEJGRYPENG-UHFFFAOYSA-N -2 0 395.897 3.433 20 0 GGADRL C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000736169313 1447328696 /nfs/dbraw/zinc/32/86/96/1447328696.db2.gz MSAYOJHCGBACKH-GFCCVEGCSA-N -2 0 392.444 3.396 20 0 GGADRL O=S(=O)([N-]c1ccc(COC2CCCC2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000738344775 1449153332 /nfs/dbraw/zinc/15/33/32/1449153332.db2.gz HWPHKYAONHNVPY-UHFFFAOYSA-N -2 0 399.476 3.127 20 0 GGADRL CCc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000736700021 1449708779 /nfs/dbraw/zinc/70/87/79/1449708779.db2.gz RXXVNCRZWZSFMO-UHFFFAOYSA-N -2 0 397.382 3.249 20 0 GGADRL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]c1nnc(C=Cc2ccco2)s1 ZINC000826401892 1449746584 /nfs/dbraw/zinc/74/65/84/1449746584.db2.gz IZSDZFXPAZVKQE-XOHWUJONSA-N -2 0 391.416 3.134 20 0 GGADRL Cc1cc2nc(NC(=O)[C@H](C)Oc3ccccc3-c3nn[n-]n3)oc2c(C)c1 ZINC000822196208 1450306146 /nfs/dbraw/zinc/30/61/46/1450306146.db2.gz ACAMBDVWNZJYIU-LBPRGKRZSA-N -2 0 378.392 3.031 20 0 GGADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822130524 1450499705 /nfs/dbraw/zinc/49/97/05/1450499705.db2.gz UVUGKOWDPGYHAW-UHFFFAOYSA-N -2 0 391.359 3.000 20 0 GGADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1)C1CCCC1 ZINC000863954669 939243955 /nfs/dbraw/zinc/24/39/55/939243955.db2.gz ISIHYWAXIMLIQV-GOSISDBHSA-N -2 0 387.457 3.050 20 0 GGADRL O=C([O-])COc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000322142919 970852102 /nfs/dbraw/zinc/85/21/02/970852102.db2.gz WWRLANYJDIVCDL-UHFFFAOYSA-N -2 0 376.217 3.258 20 0 GGADRL CSCCCCCCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000322943192 970948895 /nfs/dbraw/zinc/94/88/95/970948895.db2.gz BMGCMKXLMINXOQ-UHFFFAOYSA-N -2 0 383.894 3.379 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cnc1Br ZINC000323249550 970982048 /nfs/dbraw/zinc/98/20/48/970982048.db2.gz SSQRSWPTWHFSAS-DAXSKMNVSA-N -2 0 397.250 3.051 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl ZINC000324210270 971097421 /nfs/dbraw/zinc/09/74/21/971097421.db2.gz UUDUWVNKUYFIRG-UHFFFAOYSA-N -2 0 391.188 3.401 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)nc1 ZINC000324570989 971133503 /nfs/dbraw/zinc/13/35/03/971133503.db2.gz TUVXRVTWQXAYAL-UHFFFAOYSA-N -2 0 380.731 3.253 20 0 GGADRL N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000325434336 971215758 /nfs/dbraw/zinc/21/57/58/971215758.db2.gz KAARJWZOLLCLDK-UHFFFAOYSA-N -2 0 376.337 3.138 20 0 GGADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000325763191 971241256 /nfs/dbraw/zinc/24/12/56/971241256.db2.gz CPBJGTGXRHPXOL-UHFFFAOYSA-N -2 0 381.353 3.454 20 0 GGADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000325920542 971255118 /nfs/dbraw/zinc/25/51/18/971255118.db2.gz UOVQWPYIGLCATA-UHFFFAOYSA-N -2 0 390.826 3.426 20 0 GGADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000326623803 971310719 /nfs/dbraw/zinc/31/07/19/971310719.db2.gz AEQJWPDKJQVHEP-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000326681491 971316419 /nfs/dbraw/zinc/31/64/19/971316419.db2.gz NHCSFDVWPOFRQI-UHFFFAOYSA-N -2 0 383.809 3.050 20 0 GGADRL N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000327036450 971358718 /nfs/dbraw/zinc/35/87/18/971358718.db2.gz OAMKYMYTJQKDBP-UHFFFAOYSA-N -2 0 376.390 3.411 20 0 GGADRL CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)c1 ZINC000327166424 971373989 /nfs/dbraw/zinc/37/39/89/971373989.db2.gz XYQJADJXJSLEIP-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c1C(=O)[O-] ZINC000327288593 971384182 /nfs/dbraw/zinc/38/41/82/971384182.db2.gz LVXKKZSIQRWRIK-UHFFFAOYSA-N -2 0 379.312 3.294 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CN(c1ccccn1)C2 ZINC000371115860 971555504 /nfs/dbraw/zinc/55/55/04/971555504.db2.gz BOWVSVDURLEPFJ-UHFFFAOYSA-N -2 0 399.428 3.002 20 0 GGADRL O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000218289447 949552684 /nfs/dbraw/zinc/55/26/84/949552684.db2.gz IGEYTIQKCIIZHF-KRWDZBQOSA-N -2 0 385.803 3.330 20 0 GGADRL O=C([O-])c1ccccc1C1CCN(S(=O)(=O)c2cccc(Cl)c2[O-])CC1 ZINC001595254138 949578106 /nfs/dbraw/zinc/57/81/06/949578106.db2.gz YWARKJJOXSIVRZ-UHFFFAOYSA-N -2 0 395.864 3.312 20 0 GGADRL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1coc(C=CC(=O)[O-])c1 ZINC001589673694 949962856 /nfs/dbraw/zinc/96/28/56/949962856.db2.gz QUCLEHOJZJZWDC-ARJAWSKDSA-N -2 0 387.417 3.140 20 0 GGADRL O=C([O-])C[C@@H]1CCCN(C(=O)N=c2[n-]nc(-c3cc4ccccc4o3)s2)C1 ZINC000519691187 953550260 /nfs/dbraw/zinc/55/02/60/953550260.db2.gz POVJXIGRWOHYLU-NSHDSACASA-N -2 0 386.433 3.092 20 0 GGADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)n1 ZINC001593642055 953653107 /nfs/dbraw/zinc/65/31/07/953653107.db2.gz VIMDUWUBXCNHHM-SFHVURJKSA-N -2 0 379.416 3.004 20 0 GGADRL O=C([O-])C[C@@H]1CCCN(C(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)C1 ZINC000578425567 953701761 /nfs/dbraw/zinc/70/17/61/953701761.db2.gz NZJMTIJRFDOXHL-VIFPVBQESA-N -2 0 398.847 3.138 20 0 GGADRL CC1(C(=O)[O-])CCN(C(=O)N=c2[n-]nc(-c3cc4ccccc4o3)s2)CC1 ZINC000647700633 953969303 /nfs/dbraw/zinc/96/93/03/953969303.db2.gz SVRHNNVAGVFEJI-UHFFFAOYSA-N -2 0 386.433 3.092 20 0 GGADRL C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1 ZINC000650501045 954019426 /nfs/dbraw/zinc/01/94/26/954019426.db2.gz KDCXUHYQDMVDRI-QMTHXVAHSA-N -2 0 387.436 3.228 20 0 GGADRL CN(CCC(=O)[O-])C(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC001593737040 954345165 /nfs/dbraw/zinc/34/51/65/954345165.db2.gz PPCJFGQOBABBDM-UHFFFAOYSA-N -2 0 392.626 3.085 20 0 GGADRL C[C@](CNC(=O)c1cc(Br)cc(F)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001589060328 955721206 /nfs/dbraw/zinc/72/12/06/955721206.db2.gz SSXJPZMANYPJSB-QGZVFWFLSA-N -2 0 396.212 3.066 20 0 GGADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cccc(Cl)c1Cl ZINC000852735214 955845104 /nfs/dbraw/zinc/84/51/04/955845104.db2.gz GTOSGUICBTUWIT-CMPLNLGQSA-N -2 0 399.196 3.090 20 0 GGADRL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc(Cl)ccc1Cl ZINC000852736348 955847567 /nfs/dbraw/zinc/84/75/67/955847567.db2.gz MBNMQKMMJQAYCG-NWDGAFQWSA-N -2 0 399.196 3.090 20 0 GGADRL CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)[N-]OCc1ccc(F)cc1Br ZINC001589205385 956661957 /nfs/dbraw/zinc/66/19/57/956661957.db2.gz KCCORMAZUFBIJJ-UHFFFAOYSA-N -2 0 388.233 3.273 20 0 GGADRL Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000007230569 956882709 /nfs/dbraw/zinc/88/27/09/956882709.db2.gz AQHSHYPFDOSPEQ-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000013265395 957003620 /nfs/dbraw/zinc/00/36/20/957003620.db2.gz NIHZRXQLOSAZRR-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc(Br)c(F)cc2[O-])c2ccccc21 ZINC001594727314 957016223 /nfs/dbraw/zinc/01/62/23/957016223.db2.gz RJWTUTVCDHAHRW-IINYFYTJSA-N -2 0 394.196 3.337 20 0 GGADRL O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013340522 957027329 /nfs/dbraw/zinc/02/73/29/957027329.db2.gz HRTBJGBBZHIANE-UHFFFAOYSA-N -2 0 391.188 3.401 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)c(Br)c1 ZINC000035426966 957211154 /nfs/dbraw/zinc/21/11/54/957211154.db2.gz FEJGTTVHNFGXGD-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000042791693 957427469 /nfs/dbraw/zinc/42/74/69/957427469.db2.gz FOMUEMFQMCAFDV-UHFFFAOYSA-N -2 0 382.825 3.106 20 0 GGADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000048382744 957457544 /nfs/dbraw/zinc/45/75/44/957457544.db2.gz NRFOUFLMLOLOGG-UHFFFAOYSA-N -2 0 379.434 3.048 20 0 GGADRL COC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000048382631 957457597 /nfs/dbraw/zinc/45/75/97/957457597.db2.gz LVKAEIQIRIUIFA-UHFFFAOYSA-N -2 0 384.797 3.017 20 0 GGADRL COCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000048382769 957457680 /nfs/dbraw/zinc/45/76/80/957457680.db2.gz LJZVRGGGOLWYGB-UHFFFAOYSA-N -2 0 399.852 3.173 20 0 GGADRL N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000055591894 957547155 /nfs/dbraw/zinc/54/71/55/957547155.db2.gz ZWTJDEBBDDHLJW-UHFFFAOYSA-N -2 0 395.396 3.245 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)nc2)c1 ZINC000055639832 957548316 /nfs/dbraw/zinc/54/83/16/957548316.db2.gz RYAJXUBSLYAOOF-UHFFFAOYSA-N -2 0 384.413 3.160 20 0 GGADRL COCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)c1 ZINC000055643733 957548723 /nfs/dbraw/zinc/54/87/23/957548723.db2.gz MUUCDMKFRXMPCA-UHFFFAOYSA-N -2 0 399.852 3.173 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(OCC(F)(F)F)c1 ZINC000057123921 957549872 /nfs/dbraw/zinc/54/98/72/957549872.db2.gz RCHDDUYCGQJGJC-UHFFFAOYSA-N -2 0 389.351 3.435 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2OC[C@@H]2CCCCO2)cc1 ZINC000057124684 957550597 /nfs/dbraw/zinc/55/05/97/957550597.db2.gz FHUGHDRWEHQVIY-HNNXBMFYSA-N -2 0 391.445 3.134 20 0 GGADRL O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1 ZINC000058488304 957558049 /nfs/dbraw/zinc/55/80/49/957558049.db2.gz QBBUBZDWHABYEJ-UHFFFAOYSA-N -2 0 390.200 3.191 20 0 GGADRL O=C([O-])c1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1 ZINC000058488302 957558100 /nfs/dbraw/zinc/55/81/00/957558100.db2.gz UEYKYIQFICESNA-UHFFFAOYSA-N -2 0 390.200 3.191 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)c1 ZINC000078953790 957754026 /nfs/dbraw/zinc/75/40/26/957754026.db2.gz OILUUEFWDDHUPN-UHFFFAOYSA-N -2 0 392.330 3.299 20 0 GGADRL COc1ccc(-c2cc3[n-]c(CN([C@H](C)C(=O)[O-])C4CC4)nc(=O)c3s2)cc1 ZINC001594071190 958185324 /nfs/dbraw/zinc/18/53/24/958185324.db2.gz JLTMQIKHJWMBIW-LLVKDONJSA-N -2 0 399.472 3.098 20 0 GGADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CC[C@@H](C(=O)[O-])c4ccccc43)n2)c1 ZINC001594366809 958497542 /nfs/dbraw/zinc/49/75/42/958497542.db2.gz RTYWMBBUNKXSCF-CQSZACIVSA-N -2 0 395.390 3.244 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])sc1Br ZINC000123553757 958505963 /nfs/dbraw/zinc/50/59/63/958505963.db2.gz GXKVEZRSHFFOIL-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1sc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC000125622820 958568982 /nfs/dbraw/zinc/56/89/82/958568982.db2.gz PTXZKPNXHGEODF-UHFFFAOYSA-N -2 0 382.282 3.380 20 0 GGADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000126538052 958596723 /nfs/dbraw/zinc/59/67/23/958596723.db2.gz TYBQVBSIZMYIJP-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL Cc1cccc([C@@H](NC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])C(=O)[O-])c1 ZINC001594395243 958763458 /nfs/dbraw/zinc/76/34/58/958763458.db2.gz YHDOTMFLUVVIHI-LJQANCHMSA-N -2 0 379.368 3.329 20 0 GGADRL C[C@](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC001603239424 972379818 /nfs/dbraw/zinc/37/98/18/972379818.db2.gz LGTXZFJCRIODDV-OAQYLSRUSA-N -2 0 379.368 3.195 20 0 GGADRL O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc(Br)cc(F)c2[O-])c2ccccc21 ZINC001605742766 972384228 /nfs/dbraw/zinc/38/42/28/972384228.db2.gz CZUCJXIIHPOIOG-SMDDNHRTSA-N -2 0 394.196 3.337 20 0 GGADRL Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)c2C)o1 ZINC000135404468 958887975 /nfs/dbraw/zinc/88/79/75/958887975.db2.gz HMVICYRCLMWYRO-UHFFFAOYSA-N -2 0 395.824 3.439 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)sc1C(=O)[O-] ZINC000391886509 972385938 /nfs/dbraw/zinc/38/59/38/972385938.db2.gz UDZODGPPRJTXCO-UHFFFAOYSA-N -2 0 381.353 3.454 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1cc(C)ccc1C ZINC000161848063 959197679 /nfs/dbraw/zinc/19/76/79/959197679.db2.gz QTWRGFPJELOYLM-UHFFFAOYSA-N -2 0 391.474 3.358 20 0 GGADRL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2)o1 ZINC000174046271 959421047 /nfs/dbraw/zinc/42/10/47/959421047.db2.gz YCYYXWLDURFSTB-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc2)o1 ZINC000174671337 959422380 /nfs/dbraw/zinc/42/23/80/959422380.db2.gz FDOFYCLRBLJSPI-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])cc1C ZINC000392247981 972433121 /nfs/dbraw/zinc/43/31/21/972433121.db2.gz RZCXMSKUIIHUQR-UHFFFAOYSA-N -2 0 384.797 3.364 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(F)cc1F ZINC000392262104 972434938 /nfs/dbraw/zinc/43/49/38/972434938.db2.gz IOBXNYPHHPHYIW-UHFFFAOYSA-N -2 0 392.723 3.025 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccccc1C ZINC000189458232 959509405 /nfs/dbraw/zinc/50/94/05/959509405.db2.gz FUQAAFIGGHJTSJ-UHFFFAOYSA-N -2 0 391.474 3.304 20 0 GGADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(Br)c(C)n1 ZINC000226477385 959886059 /nfs/dbraw/zinc/88/60/59/959886059.db2.gz BVGRKHNPVKJQJA-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)s1 ZINC000229172749 960063333 /nfs/dbraw/zinc/06/33/33/960063333.db2.gz BDXVQUGAXRLTSC-UHFFFAOYSA-N -2 0 398.206 3.288 20 0 GGADRL Cc1cc(Br)cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000230224566 960131425 /nfs/dbraw/zinc/13/14/25/960131425.db2.gz ISRYZBSFAINOAU-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccnn2-c2cccc(F)c2)c1 ZINC001187553090 960545062 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3.127 20 0 GGADRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)cn1 ZINC001259213985 960667302 /nfs/dbraw/zinc/66/73/02/960667302.db2.gz WUJGAQLHYSDWTR-UHFFFAOYSA-N -2 0 388.804 3.160 20 0 GGADRL Cc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3F)ccc2o1 ZINC001259218718 960677481 /nfs/dbraw/zinc/67/74/81/960677481.db2.gz HTZMWZUXTINNJN-UHFFFAOYSA-N -2 0 384.772 3.428 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n(-c2cccc(C)c2)n1 ZINC001260209734 960704226 /nfs/dbraw/zinc/70/42/26/960704226.db2.gz FONGNBCABAOZRQ-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OCc2ccccc2)ccc1O ZINC001260398913 960721427 /nfs/dbraw/zinc/72/14/27/960721427.db2.gz HZQVKAQQOQQJNZ-UHFFFAOYSA-N -2 0 399.424 3.470 20 0 GGADRL CCC(CC)(CNC(=O)c1cc(Br)cc(Cl)c1[O-])C(=O)[O-] ZINC001573788035 960739183 /nfs/dbraw/zinc/73/91/83/960739183.db2.gz BMMWFKFXAHYGBC-UHFFFAOYSA-N -2 0 378.650 3.429 20 0 GGADRL CC[C@@H](CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-])C(=O)[O-] ZINC001573805418 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PRKCPXQFHAVZPY-SFHVURJKSA-N -2 0 379.416 3.257 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])n2)c1 ZINC001588969654 962667134 /nfs/dbraw/zinc/66/71/34/962667134.db2.gz QFNBDMBFRFXJCT-GOSISDBHSA-N -2 0 393.443 3.127 20 0 GGADRL CC(C)(C)OC(=O)Cc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000266719158 962756050 /nfs/dbraw/zinc/75/60/50/962756050.db2.gz LFFYGCNFXDLVGX-UHFFFAOYSA-N -2 0 397.474 3.131 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COCCOC(C)C)c1 ZINC000266799414 962758868 /nfs/dbraw/zinc/75/88/68/962758868.db2.gz RMICVWJPIKXIHK-UHFFFAOYSA-N -2 0 397.449 3.029 20 0 GGADRL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1C ZINC000266785314 962760313 /nfs/dbraw/zinc/76/03/13/962760313.db2.gz OHOSNASXXLLLJL-UHFFFAOYSA-N -2 0 380.422 3.134 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)c(C)c1CC(=O)[O-] ZINC000272751754 962785443 /nfs/dbraw/zinc/78/54/43/962785443.db2.gz MEFWUGTZIAZXMD-UHFFFAOYSA-N -2 0 391.445 3.046 20 0 GGADRL COCCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc1 ZINC000282127431 962869829 /nfs/dbraw/zinc/86/98/29/962869829.db2.gz YINQDWMYDRIMBO-UHFFFAOYSA-N -2 0 393.461 3.162 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cc(C)n(C3CCCCC3)n2)cc1C(=O)[O-] ZINC000290503145 962896042 /nfs/dbraw/zinc/89/60/42/962896042.db2.gz KTECYCOBWWKOAD-UHFFFAOYSA-N -2 0 393.465 3.204 20 0 GGADRL O=C([O-])COc1cccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000314711446 963795195 /nfs/dbraw/zinc/79/51/95/963795195.db2.gz KQGIRHFTTYDYCN-UHFFFAOYSA-N -2 0 382.246 3.319 20 0 GGADRL O=Cc1ccc(-c2ccc(C(=O)N3CCc4ccccc4[C@@H]3C(=O)[O-])c([O-])c2)o1 ZINC001606567879 970373308 /nfs/dbraw/zinc/37/33/08/970373308.db2.gz OQIKIWXLEAGEGL-HXUWFJFHSA-N -2 0 391.379 3.289 20 0 GGADRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC000319573768 970549974 /nfs/dbraw/zinc/54/99/74/970549974.db2.gz MLFKMQNKKCYXFI-UHFFFAOYSA-N -2 0 376.799 3.117 20 0 GGADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000320931584 970730186 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KHWFQIVKPVVUHS-UHFFFAOYSA-N -2 0 379.434 3.119 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc1F ZINC000410405606 973929055 /nfs/dbraw/zinc/92/90/55/973929055.db2.gz YGOMJRPHOQZFMJ-UHFFFAOYSA-N -2 0 383.397 3.121 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2OC(C)C)cc1 ZINC000410403087 973929867 /nfs/dbraw/zinc/92/98/67/973929867.db2.gz RFWXHFMJJKUWFV-UHFFFAOYSA-N -2 0 379.434 3.372 20 0 GGADRL CCC(CC)(CNC(=O)N=c1[n-]nc(-c2cc(F)ccc2C)s1)C(=O)[O-] ZINC000424393582 974027685 /nfs/dbraw/zinc/02/76/85/974027685.db2.gz WLWXPUXRUWFZGJ-UHFFFAOYSA-N -2 0 380.445 3.087 20 0 GGADRL COc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)cc1C(=O)[O-] ZINC000433806593 974096155 /nfs/dbraw/zinc/09/61/55/974096155.db2.gz WAWDLSXEPFQINO-UHFFFAOYSA-N -2 0 379.434 3.197 20 0 GGADRL CC(C)n1cc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)ccc2n1 ZINC000438754197 974101057 /nfs/dbraw/zinc/10/10/57/974101057.db2.gz CIGDOKBMLQDGSW-UHFFFAOYSA-N -2 0 377.397 3.255 20 0 GGADRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438804518 974104620 /nfs/dbraw/zinc/10/46/20/974104620.db2.gz XLDLDYMXYFYCPA-UHFFFAOYSA-N -3 0 381.381 3.146 20 0 GGADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000438797448 974104644 /nfs/dbraw/zinc/10/46/44/974104644.db2.gz URYBDTVLGFJJCO-UHFFFAOYSA-N -2 0 383.397 3.122 20 0 GGADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438791302 974104839 /nfs/dbraw/zinc/10/48/39/974104839.db2.gz FZKZHJGAVLWQMM-UHFFFAOYSA-N -2 0 399.852 3.254 20 0 GGADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000462079517 974184996 /nfs/dbraw/zinc/18/49/96/974184996.db2.gz NPFAFOBWKSKLPA-UHFFFAOYSA-N -2 0 383.397 3.122 20 0 GGADRL CC[C@H](Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1)C(=O)[O-] ZINC000463780594 974187839 /nfs/dbraw/zinc/18/78/39/974187839.db2.gz DCQZAVQZDHOUAS-CQSZACIVSA-N -2 0 391.445 3.147 20 0 GGADRL Cc1ccc(-n2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)cn2)c(C)c1 ZINC000466426369 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ZINC000484977589 974223684 /nfs/dbraw/zinc/22/36/84/974223684.db2.gz XYKUWPBJIBJGCE-UHFFFAOYSA-N -2 0 383.397 3.121 20 0 GGADRL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)c1 ZINC000485266776 974224391 /nfs/dbraw/zinc/22/43/91/974224391.db2.gz YSWBFOVIWDCXJI-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL O=C([O-])c1cc(Oc2ccccc2)ccc1[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000485209629 974224433 /nfs/dbraw/zinc/22/44/33/974224433.db2.gz PJMWNRMJOMAYEP-UHFFFAOYSA-N -2 0 399.428 3.121 20 0 GGADRL CC(C)CCn1ncc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C(C)C ZINC000486085622 974243932 /nfs/dbraw/zinc/24/39/32/974243932.db2.gz KOIIIQATAJJAOX-UHFFFAOYSA-N -2 0 393.509 3.481 20 0 GGADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC000489388272 974251596 /nfs/dbraw/zinc/25/15/96/974251596.db2.gz OWTDZNFFQVRTIK-UHFFFAOYSA-N -2 0 393.314 3.152 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC2CC2)cc1F ZINC000489752856 974253751 /nfs/dbraw/zinc/25/37/51/974253751.db2.gz PMUOWEJDUNSJMG-UHFFFAOYSA-N -2 0 383.372 3.253 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnn1CCC(C)C ZINC000491544319 974256619 /nfs/dbraw/zinc/25/66/19/974256619.db2.gz INAYXVXSUAXUSE-UHFFFAOYSA-N -2 0 379.482 3.299 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cnn1CCC(C)C ZINC000491610414 974257316 /nfs/dbraw/zinc/25/73/16/974257316.db2.gz QPMQOXGATREXKL-UHFFFAOYSA-N -2 0 383.445 3.130 20 0 GGADRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1csc(-c2ccccn2)n1 ZINC000499342492 974266335 /nfs/dbraw/zinc/26/63/35/974266335.db2.gz JYSYGZBGTQTWRP-UHFFFAOYSA-N -2 0 393.421 3.152 20 0 GGADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1C(C)C ZINC000499294273 974266470 /nfs/dbraw/zinc/26/64/70/974266470.db2.gz BJOVYLDQWBEOBU-UHFFFAOYSA-N -2 0 383.445 3.301 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(C)C ZINC000499266084 974266730 /nfs/dbraw/zinc/26/67/30/974266730.db2.gz MFYZVCZWFADURL-UHFFFAOYSA-N -2 0 379.482 3.470 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000507632859 974278288 /nfs/dbraw/zinc/27/82/88/974278288.db2.gz BZNHMSYUCVNDLT-LLVKDONJSA-N -2 0 395.458 3.059 20 0 GGADRL Cc1cc(S(=O)(=O)Nc2ccc(S[C@H](C)C(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000507638982 974278317 /nfs/dbraw/zinc/27/83/17/974278317.db2.gz VAGHYOVHOYMAHJ-LLVKDONJSA-N -2 0 395.458 3.059 20 0 GGADRL Cc1cc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000507904109 974279627 /nfs/dbraw/zinc/27/96/27/974279627.db2.gz IPDWHTHKQQGEDP-LLVKDONJSA-N -2 0 377.418 3.072 20 0 GGADRL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000509379350 974282367 /nfs/dbraw/zinc/28/23/67/974282367.db2.gz PKUHLPPBAYDJSG-CQSZACIVSA-N -2 0 377.462 3.376 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cc2ccccn2)ccc1C ZINC000509377757 974282527 /nfs/dbraw/zinc/28/25/27/974282527.db2.gz HTHOJFXQPXKZTK-UHFFFAOYSA-N -2 0 386.429 3.381 20 0 GGADRL Cc1ccc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC000512776414 974288619 /nfs/dbraw/zinc/28/86/19/974288619.db2.gz NOUPKMTUGDZYFE-UHFFFAOYSA-N -2 0 391.445 3.165 20 0 GGADRL O=C([O-])c1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000531748864 974369004 /nfs/dbraw/zinc/36/90/04/974369004.db2.gz VPFIHPKERSEDPR-UHFFFAOYSA-N -2 0 396.424 3.438 20 0 GGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1C1CC1 ZINC000534974522 974379615 /nfs/dbraw/zinc/37/96/15/974379615.db2.gz VGTAQBHKPQYSCP-NSHDSACASA-N -2 0 393.465 3.239 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)nn1-c1ccccc1 ZINC000536656379 974379786 /nfs/dbraw/zinc/37/97/86/974379786.db2.gz YPKRLLJPTQZBPQ-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C1CC1 ZINC000534976033 974379938 /nfs/dbraw/zinc/37/99/38/974379938.db2.gz KRZIFWYOYPRULU-JTQLQIEISA-N -2 0 381.429 3.370 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nn1-c1cc(C)cc(C)c1 ZINC000537395750 974382663 /nfs/dbraw/zinc/38/26/63/974382663.db2.gz ZYVGIABQWYCAFE-UHFFFAOYSA-N -2 0 391.474 3.358 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)nn1-c1cccc(Cl)c1 ZINC000537396678 974382777 /nfs/dbraw/zinc/38/27/77/974382777.db2.gz KNKUQWGNHBKYFL-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(F)cc2)cc1C(=O)[O-] ZINC000538496552 974389064 /nfs/dbraw/zinc/38/90/64/974389064.db2.gz QAYZKEMKMGFEHN-UHFFFAOYSA-N -2 0 389.408 3.407 20 0 GGADRL Cc1ccc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC000542741111 974416107 /nfs/dbraw/zinc/41/61/07/974416107.db2.gz YKYWYFJWCIDLDZ-GFCCVEGCSA-N -2 0 391.445 3.066 20 0 GGADRL Cc1ccc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC000542741115 974416688 /nfs/dbraw/zinc/41/66/88/974416688.db2.gz YKYWYFJWCIDLDZ-LBPRGKRZSA-N -2 0 391.445 3.066 20 0 GGADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000543163974 974417574 /nfs/dbraw/zinc/41/75/74/974417574.db2.gz QVXIEJYFWJZAIG-UHFFFAOYSA-N -2 0 381.429 3.335 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000543165173 974417613 /nfs/dbraw/zinc/41/76/13/974417613.db2.gz SOROQOVRWHWSKS-LLVKDONJSA-N -2 0 377.418 3.072 20 0 GGADRL CCCc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccccc1 ZINC000543951431 974419673 /nfs/dbraw/zinc/41/96/73/974419673.db2.gz GOBFVZUDOAHPOM-UHFFFAOYSA-N -2 0 391.474 3.385 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000544097015 974420112 /nfs/dbraw/zinc/42/01/12/974420112.db2.gz XCZUAMONYOPWMK-LBPRGKRZSA-N -2 0 377.418 3.072 20 0 GGADRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)cc1)C(=O)[O-] ZINC000544642035 974421009 /nfs/dbraw/zinc/42/10/09/974421009.db2.gz QUBZIJUMFOCJFY-LLVKDONJSA-N -2 0 385.388 3.352 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c2ncccc12 ZINC000546020340 974428653 /nfs/dbraw/zinc/42/86/53/974428653.db2.gz UZIWVXMHVWQSKB-UHFFFAOYSA-N -2 0 392.820 3.396 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c(C(=O)[O-])c1 ZINC000547541524 974434257 /nfs/dbraw/zinc/43/42/57/974434257.db2.gz CLUZILGJWXEXGC-UHFFFAOYSA-N -2 0 384.335 3.385 20 0 GGADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000548209803 974455534 /nfs/dbraw/zinc/45/55/34/974455534.db2.gz RCINSJRNWCNLLG-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)nn1C1CCCCC1 ZINC000562233284 974505599 /nfs/dbraw/zinc/50/55/99/974505599.db2.gz PFJVFGQXPSORPR-UHFFFAOYSA-N -2 0 381.429 3.335 20 0 GGADRL CCOc1cccc2cc([C@H](C)NS(=O)(=O)c3csnc3C(=O)[O-])oc21 ZINC000563075360 974514086 /nfs/dbraw/zinc/51/40/86/974514086.db2.gz RVWXFTWVOGZFAW-VIFPVBQESA-N -2 0 396.446 3.026 20 0 GGADRL CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3csnc3C(=O)[O-])oc21 ZINC000563075357 974514292 /nfs/dbraw/zinc/51/42/92/974514292.db2.gz RVWXFTWVOGZFAW-SECBINFHSA-N -2 0 396.446 3.026 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)nn1-c1ccc(F)cc1F ZINC000577892500 974844373 /nfs/dbraw/zinc/84/43/73/974844373.db2.gz UJDYIYKVULQPHR-UHFFFAOYSA-N -2 0 399.400 3.019 20 0 GGADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)c1 ZINC000580984390 974903795 /nfs/dbraw/zinc/90/37/95/974903795.db2.gz NRHOBTPFRQETAM-UHFFFAOYSA-N -2 0 384.413 3.302 20 0 GGADRL Cc1cn(C2CCCCC2)nc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000582392789 974925781 /nfs/dbraw/zinc/92/57/81/974925781.db2.gz VWJDLCFEEWVODN-UHFFFAOYSA-N -2 0 377.466 3.125 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000583354292 974939788 /nfs/dbraw/zinc/93/97/88/974939788.db2.gz IFWYWIZLYNHZEA-UHFFFAOYSA-N -2 0 392.458 3.041 20 0 GGADRL CC(C)Cn1ncc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C(C)C ZINC000584693220 974957632 /nfs/dbraw/zinc/95/76/32/974957632.db2.gz RHPLEBJJDFVJMB-UHFFFAOYSA-N -2 0 379.482 3.090 20 0 GGADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)cc2)oc1C ZINC000673629395 976010930 /nfs/dbraw/zinc/01/09/30/976010930.db2.gz JTLXRTOLKJAOLC-UHFFFAOYSA-N -2 0 376.390 3.359 20 0 GGADRL CC(C)Oc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001591803832 976026400 /nfs/dbraw/zinc/02/64/00/976026400.db2.gz USTDFYKGWRGSRP-UHFFFAOYSA-N -2 0 388.804 3.160 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@]3(C)CCCC[C@H]3C(=O)[O-])n2)cc1 ZINC001591943174 976476693 /nfs/dbraw/zinc/47/66/93/976476693.db2.gz FXLJJJQHELNMQQ-HRAATJIYSA-N -2 0 385.464 3.465 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)NC(C)(C)c3cc(C(=O)[O-])on3)n2)cc1 ZINC001591943505 976479699 /nfs/dbraw/zinc/47/96/99/976479699.db2.gz MGHNBVUAZIHBKK-UHFFFAOYSA-N -2 0 398.419 3.053 20 0 GGADRL CC(C)c1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001591947178 976489650 /nfs/dbraw/zinc/48/96/50/976489650.db2.gz GVYOHWLIPBPWJV-GFCCVEGCSA-N -2 0 379.434 3.100 20 0 GGADRL CC(C)c1ccc(CCC(=O)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC001591952938 976513682 /nfs/dbraw/zinc/51/36/82/976513682.db2.gz PRWIPTDKFNDEMR-UHFFFAOYSA-N -2 0 389.473 3.087 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H](C(=O)[O-])c3ccccc3F)n2)c1 ZINC001591982692 976599949 /nfs/dbraw/zinc/59/99/49/976599949.db2.gz AKQOORGYANESPG-GOSISDBHSA-N -2 0 397.406 3.396 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@H](C(=O)[O-])c3ccccc3F)n2)c1 ZINC001591982693 976600080 /nfs/dbraw/zinc/60/00/80/976600080.db2.gz AKQOORGYANESPG-SFHVURJKSA-N -2 0 397.406 3.396 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)n2)c1 ZINC001591982696 976600260 /nfs/dbraw/zinc/60/02/60/976600260.db2.gz AQOVKVMPELNZQF-JOCHJYFZSA-N -2 0 393.443 3.431 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)NCc3ccc(CC(=O)[O-])cc3)n2)c1 ZINC001591982729 976600384 /nfs/dbraw/zinc/60/03/84/976600384.db2.gz CIZOLCCXKJWZHU-UHFFFAOYSA-N -2 0 393.443 3.258 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)n2)c1 ZINC001591983251 976602732 /nfs/dbraw/zinc/60/27/32/976602732.db2.gz MARZUJOYQJBQMU-GOSISDBHSA-N -2 0 379.416 3.257 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H](C(=O)[O-])c3ccsc3)n2)c1 ZINC001591983972 976605446 /nfs/dbraw/zinc/60/54/46/976605446.db2.gz WDDDTUJISORZHX-MRXNPFEDSA-N -2 0 385.445 3.319 20 0 GGADRL CC(C)c1nc([N-]S(=O)(=O)c2cccc3c2OCCC3)sc1C(=O)[O-] ZINC001592030869 976738976 /nfs/dbraw/zinc/73/89/76/976738976.db2.gz ZIUXXWRHBMZJIQ-UHFFFAOYSA-N -2 0 382.463 3.091 20 0 GGADRL CC(C)c1sc(NC(=O)c2ncc(Br)cc2[O-])nc1C(=O)[O-] ZINC001592114487 976908102 /nfs/dbraw/zinc/90/81/02/976908102.db2.gz FQUNLCLCQUCRDQ-UHFFFAOYSA-N -2 0 386.227 3.080 20 0 GGADRL CC(C)c1sc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])nc1C(=O)[O-] ZINC001592114771 976909302 /nfs/dbraw/zinc/90/93/02/976909302.db2.gz IWEVHMXEMSKHDD-UHFFFAOYSA-N -2 0 390.396 3.247 20 0 GGADRL C[C@H](/C=C\C(=O)[O-])NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001592215707 977276594 /nfs/dbraw/zinc/27/65/94/977276594.db2.gz BLUVPBLMKYWIJD-JHYPKJRRSA-N -2 0 394.836 3.119 20 0 GGADRL C[C@](CC(=O)[O-])(C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)c1ccc(F)cc1 ZINC001592277952 977558266 /nfs/dbraw/zinc/55/82/66/977558266.db2.gz KQYINUWJJMWVGR-CSODHUTKSA-N -2 0 385.391 3.385 20 0 GGADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC001592359337 977840080 /nfs/dbraw/zinc/84/00/80/977840080.db2.gz BRTKVKHVEZPZNE-LLVKDONJSA-N -2 0 397.836 3.048 20 0 GGADRL C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC001592423839 978041752 /nfs/dbraw/zinc/04/17/52/978041752.db2.gz IAZQLMPKNXUDRU-SNVBAGLBSA-N -2 0 397.836 3.417 20 0 GGADRL CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000728508464 978294172 /nfs/dbraw/zinc/29/41/72/978294172.db2.gz SAUXDQYZGBHOAC-UHFFFAOYSA-N -2 0 386.476 3.021 20 0 GGADRL CN(C)C(=O)Sc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000728508856 978294239 /nfs/dbraw/zinc/29/42/39/978294239.db2.gz YXFLIWMYZSEMIJ-UHFFFAOYSA-N -2 0 386.476 3.021 20 0 GGADRL CC(C)c1ccc([C@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000736512247 978340325 /nfs/dbraw/zinc/34/03/25/978340325.db2.gz GIZLYVFGTRTALZ-KGLIPLIRSA-N -2 0 393.486 3.178 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)sc1C(=O)[O-] ZINC000738241466 978505773 /nfs/dbraw/zinc/50/57/73/978505773.db2.gz ZTXFTFAHUKKSIN-UHFFFAOYSA-N -2 0 388.426 3.274 20 0 GGADRL Cc1ccc([C@@H](CNC(=O)c2cccc(Br)c2[O-])C(=O)[O-])cc1 ZINC000738568122 978563037 /nfs/dbraw/zinc/56/30/37/978563037.db2.gz YXHRHJKPNBYTMW-CYBMUJFWSA-N -2 0 378.222 3.061 20 0 GGADRL O=C([O-])CCSCc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000739753432 978652936 /nfs/dbraw/zinc/65/29/36/978652936.db2.gz IEACEFTZKFOSLC-UHFFFAOYSA-N -2 0 387.429 3.474 20 0 GGADRL O=C([O-])CCSCc1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000739753166 978652985 /nfs/dbraw/zinc/65/29/85/978652985.db2.gz CTIQIITVTVTCCZ-UHFFFAOYSA-N -2 0 387.429 3.474 20 0 GGADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)c1 ZINC000745977847 978679912 /nfs/dbraw/zinc/67/99/12/978679912.db2.gz CDSNLQXDIGJHQT-UHFFFAOYSA-N -2 0 395.799 3.164 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1N1CCSCC1 ZINC000749834653 978690645 /nfs/dbraw/zinc/69/06/45/978690645.db2.gz HEFIBPXEZNIOPP-UHFFFAOYSA-N -2 0 398.531 3.109 20 0 GGADRL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc([O-])c(Cl)c2)cc1OC ZINC000750084593 978691042 /nfs/dbraw/zinc/69/10/42/978691042.db2.gz XNHQRMVONRABCB-ZDUSSCGKSA-N -2 0 379.796 3.009 20 0 GGADRL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc([O-])c(Cl)c2)cc1OC ZINC000750084590 978691130 /nfs/dbraw/zinc/69/11/30/978691130.db2.gz XNHQRMVONRABCB-CYBMUJFWSA-N -2 0 379.796 3.009 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)O[C@H](C)C2 ZINC000754252000 978695914 /nfs/dbraw/zinc/69/59/14/978695914.db2.gz GLUQBYMAAGNXLL-SNVBAGLBSA-N -2 0 395.408 3.047 20 0 GGADRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccnc2Cl)cc1)C(=O)[O-] ZINC000758171042 978704475 /nfs/dbraw/zinc/70/44/75/978704475.db2.gz TYHDTDMFLXYTJN-VIFPVBQESA-N -2 0 389.260 3.452 20 0 GGADRL COc1ccc2nc(Cl)ccc2c1S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000758171139 978704650 /nfs/dbraw/zinc/70/46/50/978704650.db2.gz ULXCCOIFEAJMSP-UHFFFAOYSA-N -2 0 392.820 3.396 20 0 GGADRL C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1)C(=O)[O-] ZINC000758170174 978704744 /nfs/dbraw/zinc/70/47/44/978704744.db2.gz OKXLONGFQYUQNN-JTQLQIEISA-N -2 0 397.836 3.102 20 0 GGADRL Cc1ccc(NS(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000759100571 978705269 /nfs/dbraw/zinc/70/52/69/978705269.db2.gz DAAYHAQEMXBZCE-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)s2)ccc1F ZINC000768281609 978737524 /nfs/dbraw/zinc/73/75/24/978737524.db2.gz DKNKJMANAFJZIY-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL Cc1ccc(O)c([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)c1 ZINC000769634785 978742558 /nfs/dbraw/zinc/74/25/58/978742558.db2.gz VIEGBBUKKQCMLL-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)ccc1Cl ZINC000769889136 978743033 /nfs/dbraw/zinc/74/30/33/978743033.db2.gz OEPJOPOLUYRUMF-UHFFFAOYSA-N -2 0 380.180 3.337 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)ccc1Cl ZINC000776748795 978774975 /nfs/dbraw/zinc/77/49/75/978774975.db2.gz HXYTWVKYXVCUIS-UHFFFAOYSA-N -2 0 378.793 3.494 20 0 GGADRL COC(=O)c1ccc2ccccc2c1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000776740681 978774998 /nfs/dbraw/zinc/77/49/98/978774998.db2.gz AEDPOTGLNCBWQU-UHFFFAOYSA-N -2 0 391.426 3.187 20 0 GGADRL CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000778567443 978782431 /nfs/dbraw/zinc/78/24/31/978782431.db2.gz TYCIGGUQBJDPJO-UHFFFAOYSA-N -2 0 389.351 3.390 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1F ZINC000780418650 978790242 /nfs/dbraw/zinc/79/02/42/978790242.db2.gz ZZIHGPQHADOTJU-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2ccccc2-c2ccno2)cc1F ZINC000782258241 978792509 /nfs/dbraw/zinc/79/25/09/978792509.db2.gz UKNDOCXLLUBXFG-UHFFFAOYSA-N -2 0 380.328 3.119 20 0 GGADRL C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000783861694 978793793 /nfs/dbraw/zinc/79/37/93/978793793.db2.gz OSUFIFDBTPOVSC-JTQLQIEISA-N -2 0 397.836 3.417 20 0 GGADRL C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cc1 ZINC000783861161 978793829 /nfs/dbraw/zinc/79/38/29/978793829.db2.gz LEKKEKYMCFNUND-SECBINFHSA-N -2 0 399.371 3.042 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(O)c1 ZINC000785490873 978794431 /nfs/dbraw/zinc/79/44/31/978794431.db2.gz GRJKQBLPMKDZCR-UHFFFAOYSA-N -2 0 392.216 3.207 20 0 GGADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)cc1C ZINC000788066761 978796396 /nfs/dbraw/zinc/79/63/96/978796396.db2.gz DZTPFZVZOJZKRW-UHFFFAOYSA-N -2 0 397.836 3.242 20 0 GGADRL CCCCn1ncc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C(C)C ZINC000790423101 978799120 /nfs/dbraw/zinc/79/91/20/978799120.db2.gz XLDKWSQEHMSGAS-UHFFFAOYSA-N -2 0 383.445 3.445 20 0 GGADRL COCCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793368389 978805103 /nfs/dbraw/zinc/80/51/03/978805103.db2.gz WKGXWJMSAVHWMR-UHFFFAOYSA-N -2 0 397.424 3.048 20 0 GGADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000793406512 978807590 /nfs/dbraw/zinc/80/75/90/978807590.db2.gz CFLQDMLEBDJCQQ-SNVBAGLBSA-N -2 0 395.408 3.211 20 0 GGADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000793412054 978808022 /nfs/dbraw/zinc/80/80/22/978808022.db2.gz OGLSBIQPDYVANY-UHFFFAOYSA-N -2 0 395.408 3.040 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cnn1-c1ccccc1 ZINC000793413480 978808135 /nfs/dbraw/zinc/80/81/35/978808135.db2.gz ZYRJGOASWLLNIX-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OCC(F)F ZINC000793412643 978808247 /nfs/dbraw/zinc/80/82/47/978808247.db2.gz RRLJXKQBZFQELH-UHFFFAOYSA-N -2 0 389.351 3.277 20 0 GGADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000793414845 978808650 /nfs/dbraw/zinc/80/86/50/978808650.db2.gz HCAMJXSYBHLZIM-UHFFFAOYSA-N -2 0 378.303 3.047 20 0 GGADRL CCn1ncc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C(F)(F)F ZINC000799127285 978836981 /nfs/dbraw/zinc/83/69/81/978836981.db2.gz FDZDDKLVTFGJRE-UHFFFAOYSA-N -2 0 397.762 3.074 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)cccc1C(=O)[O-] ZINC000800835422 978847446 /nfs/dbraw/zinc/84/74/46/978847446.db2.gz ZICHHTVHAWKINB-UHFFFAOYSA-N -2 0 379.821 3.276 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)ccc1F ZINC000800832888 978847529 /nfs/dbraw/zinc/84/75/29/978847529.db2.gz NZHIVQZRIHAXFR-UHFFFAOYSA-N -2 0 383.784 3.107 20 0 GGADRL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000811713200 978855754 /nfs/dbraw/zinc/85/57/54/978855754.db2.gz VCJYJMIPJLFIGL-UHFFFAOYSA-N -2 0 395.742 3.265 20 0 GGADRL Cc1nn(C)c2cc(NS(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)ccc12 ZINC000812271907 978869145 /nfs/dbraw/zinc/86/91/45/978869145.db2.gz XXSGHNHCJMYDMB-UHFFFAOYSA-N -2 0 379.825 3.034 20 0 GGADRL CCCCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829421787 978998817 /nfs/dbraw/zinc/99/88/17/978998817.db2.gz HVOAZOYVAGCAHY-UHFFFAOYSA-N -2 0 383.422 3.275 20 0 GGADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC000832204270 979041142 /nfs/dbraw/zinc/04/11/42/979041142.db2.gz VYHTUNDMZUVYII-UHFFFAOYSA-N -2 0 393.314 3.352 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000832868814 979051696 /nfs/dbraw/zinc/05/16/96/979051696.db2.gz UPKKOIHEBXBGGX-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])c1C ZINC001595029425 979157506 /nfs/dbraw/zinc/15/75/06/979157506.db2.gz XHTHBVFUEMSLSL-LLVKDONJSA-N -2 0 388.449 3.210 20 0 GGADRL CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC001595037248 979205084 /nfs/dbraw/zinc/20/50/84/979205084.db2.gz VVQRYSKKMDYNIU-LLVKDONJSA-N -2 0 397.399 3.052 20 0 GGADRL C[C@@H](Cc1nnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)o1)CC(C)(C)C ZINC001592912475 979877788 /nfs/dbraw/zinc/87/77/88/979877788.db2.gz ICKNJBBXSDJVCM-JTQLQIEISA-N -2 0 399.444 3.323 20 0 GGADRL C[C@@H](Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)o1)CC(C)(C)C ZINC001592912896 979882159 /nfs/dbraw/zinc/88/21/59/979882159.db2.gz OQXQMFFKOKSNEX-VIFPVBQESA-N -2 0 387.483 3.245 20 0 GGADRL CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC001592944040 980019092 /nfs/dbraw/zinc/01/90/92/980019092.db2.gz GXXYHZJGUNIVSH-UHFFFAOYSA-N -2 0 376.768 3.346 20 0 GGADRL CC[C@H](NC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-])C(=O)[O-] ZINC001595277454 980306151 /nfs/dbraw/zinc/30/61/51/980306151.db2.gz VBPNEOZUVSWNPY-VIFPVBQESA-N -2 0 392.626 3.131 20 0 GGADRL CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)c1 ZINC000901870061 980581994 /nfs/dbraw/zinc/58/19/94/980581994.db2.gz ZITIBRQTTVNVAH-GFCCVEGCSA-N -2 0 379.434 3.372 20 0 GGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3OC)sc2C1 ZINC001595470569 981169188 /nfs/dbraw/zinc/16/91/88/981169188.db2.gz KAGXUEDMTYFHTG-SNVBAGLBSA-N -2 0 396.490 3.166 20 0 GGADRL CC[C@@H]1CCc2nc([N-]S(=O)(=O)Cc3cccc(C(=O)[O-])c3)sc2C1 ZINC001595473692 981184235 /nfs/dbraw/zinc/18/42/35/981184235.db2.gz ZQSLNBVEUFPATR-LLVKDONJSA-N -2 0 380.491 3.298 20 0 GGADRL CCC[C@@H]1CCc2nc([N-]S(=O)(=O)c3cnc(C)c(C(=O)[O-])c3)sc2C1 ZINC001595623385 981720315 /nfs/dbraw/zinc/72/03/15/981720315.db2.gz MFUJXFZFKOJTKL-LLVKDONJSA-N -2 0 395.506 3.251 20 0 GGADRL CCCC[C@H](NS(=O)(=O)c1c(Cl)cc(C)cc1Br)C(=O)[O-] ZINC001595640478 981963045 /nfs/dbraw/zinc/96/30/45/981963045.db2.gz GVGFEAGKWYATNG-NSHDSACASA-N -2 0 398.706 3.333 20 0 GGADRL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1oc2ccccc2c1Br ZINC001594830591 982013019 /nfs/dbraw/zinc/01/30/19/982013019.db2.gz YBFJHCUZUMPARP-AWEZNQCLSA-N -2 0 390.255 3.117 20 0 GGADRL CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(F)(F)F ZINC001594853430 982112018 /nfs/dbraw/zinc/11/20/18/982112018.db2.gz VYHVPUOXZYCZSY-NSHDSACASA-N -2 0 377.743 3.187 20 0 GGADRL CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC001595747252 982414009 /nfs/dbraw/zinc/41/40/09/982414009.db2.gz DJSAFLNERAZEMB-UHFFFAOYSA-N -2 0 395.433 3.234 20 0 GGADRL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cn1 ZINC001595780967 982556092 /nfs/dbraw/zinc/55/60/92/982556092.db2.gz SFYPZIWAOQZULQ-UHFFFAOYSA-N -2 0 390.461 3.178 20 0 GGADRL CCCCS(=O)(=O)[N-]C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC001595786955 982578395 /nfs/dbraw/zinc/57/83/95/982578395.db2.gz DINQPKXUZMPZNP-UHFFFAOYSA-N -2 0 397.474 3.130 20 0 GGADRL CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)[O-])c2)cc1 ZINC001595796471 982602062 /nfs/dbraw/zinc/60/20/62/982602062.db2.gz LLDSZHNQDZPXGQ-UHFFFAOYSA-N -2 0 391.445 3.071 20 0 GGADRL CCCCn1ccnc1-c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC001595809721 982639260 /nfs/dbraw/zinc/63/92/60/982639260.db2.gz LOICAJCMLRYJMH-UHFFFAOYSA-N -2 0 389.433 3.442 20 0 GGADRL CCCCn1ncc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C(C)C ZINC001595810750 982646525 /nfs/dbraw/zinc/64/65/25/982646525.db2.gz QHZMLMLITCUGTH-UHFFFAOYSA-N -2 0 383.445 3.445 20 0 GGADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000917845011 982682673 /nfs/dbraw/zinc/68/26/73/982682673.db2.gz IZLGTJOQCALOPB-UHFFFAOYSA-N -2 0 379.825 3.034 20 0 GGADRL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001594959520 982708076 /nfs/dbraw/zinc/70/80/76/982708076.db2.gz WTVBWOAUXXWVEM-SNVBAGLBSA-N -2 0 377.409 3.074 20 0 GGADRL CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])cc1 ZINC001594991697 982858172 /nfs/dbraw/zinc/85/81/72/982858172.db2.gz MNMDTNIPRBPEEE-NSHDSACASA-N -2 0 396.490 3.084 20 0 GGADRL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)cc1 ZINC001595942126 983097183 /nfs/dbraw/zinc/09/71/83/983097183.db2.gz OMNZFMQPRUIZHX-UHFFFAOYSA-N -2 0 383.447 3.122 20 0 GGADRL CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(OC)c1 ZINC001595951923 983124738 /nfs/dbraw/zinc/12/47/38/983124738.db2.gz GVCZDLVDKYHHFX-UHFFFAOYSA-N -2 0 383.397 3.122 20 0 GGADRL CCCOc1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1OC ZINC001595966371 983172601 /nfs/dbraw/zinc/17/26/01/983172601.db2.gz JAUHKUPEBPOFCB-UHFFFAOYSA-N -2 0 383.422 3.193 20 0 GGADRL CCCc1ccc([C@@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])s1 ZINC001596062639 983372040 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KHSRMGZFBFKVOG-UHFFFAOYSA-N -2 0 393.461 3.328 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2cnc(Cl)cc2Cl)c(C(=O)[O-])c1 ZINC001597557019 988293936 /nfs/dbraw/zinc/29/39/36/988293936.db2.gz SEGIXDGZPICIJK-UHFFFAOYSA-N -2 0 375.233 3.450 20 0 GGADRL CCc1ccc2nc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])sc2c1 ZINC001597570518 988344398 /nfs/dbraw/zinc/34/43/98/988344398.db2.gz MRORSANKKRWNPT-UHFFFAOYSA-N -2 0 380.422 3.497 20 0 GGADRL CCc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)cn2)c1 ZINC001597600446 988453697 /nfs/dbraw/zinc/45/36/97/988453697.db2.gz BAXWWMUDQYMNTA-UHFFFAOYSA-N -2 0 399.428 3.330 20 0 GGADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)n1 ZINC001597604570 988482510 /nfs/dbraw/zinc/48/25/10/988482510.db2.gz PEQZKESSZDRBJV-INIZCTEOSA-N -2 0 397.406 3.225 20 0 GGADRL CSc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])c(Cl)c2C)cn1 ZINC001599820224 988500344 /nfs/dbraw/zinc/50/03/44/988500344.db2.gz SZWMUKZHIMECGU-UHFFFAOYSA-N -2 0 378.884 3.326 20 0 GGADRL CSc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3C(=O)[O-])[nH]2)cc1Cl ZINC001599821200 988516917 /nfs/dbraw/zinc/51/69/17/988516917.db2.gz NOQCAENENGZIMP-UHFFFAOYSA-N -2 0 397.865 3.437 20 0 GGADRL CCc1[nH]nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1-c1cccs1 ZINC001597645155 988661147 /nfs/dbraw/zinc/66/11/47/988661147.db2.gz MISJKQDFYHFOPT-UHFFFAOYSA-N -2 0 383.476 3.261 20 0 GGADRL CCc1[nH]nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1-c1cccs1 ZINC001597645474 988663752 /nfs/dbraw/zinc/66/37/52/988663752.db2.gz SFOISMNSGSHZCI-UHFFFAOYSA-N -2 0 377.447 3.200 20 0 GGADRL CCc1[nH]nc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1-c1cccs1 ZINC001597645601 988665252 /nfs/dbraw/zinc/66/52/52/988665252.db2.gz VPKTZMBMVDVGFH-UHFFFAOYSA-N -2 0 391.474 3.129 20 0 GGADRL CCc1[nH]nc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1-c1cccs1 ZINC001597645733 988666770 /nfs/dbraw/zinc/66/67/70/988666770.db2.gz ZNXXQFNDYKYNCW-UHFFFAOYSA-N -2 0 395.437 3.339 20 0 GGADRL CCc1nc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)sc1C(=O)[O-] ZINC001597685574 988837754 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GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)nn1-c1ccccc1C ZINC001597785974 989308181 /nfs/dbraw/zinc/30/81/81/989308181.db2.gz WOXZREKTMZQTPV-UHFFFAOYSA-N -2 0 389.433 3.144 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-n1nc(C)cc1C ZINC001597790444 989310962 /nfs/dbraw/zinc/31/09/62/989310962.db2.gz BUZNBRIYKYKLEN-UHFFFAOYSA-N -2 0 389.433 3.144 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC(=O)N(C)C ZINC001597791668 989323228 /nfs/dbraw/zinc/32/32/28/989323228.db2.gz PZBHIGNPJCRJQN-UHFFFAOYSA-N -2 0 398.462 3.115 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]c(C(F)F)nc2c1 ZINC001597791719 989325027 /nfs/dbraw/zinc/32/50/27/989325027.db2.gz QYELVMGMKGSAAR-UHFFFAOYSA-N -2 0 385.348 3.155 20 0 GGADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC001597791709 989325103 /nfs/dbraw/zinc/32/51/03/989325103.db2.gz QURGQOZFFUUXCW-UHFFFAOYSA-N -2 0 399.494 3.315 20 0 GGADRL CC(C)(C)OC(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)n[n-]1 ZINC001590362690 989815581 /nfs/dbraw/zinc/81/55/81/989815581.db2.gz DTBYCEGZSIXQGV-UHFFFAOYSA-N -2 0 381.388 3.469 20 0 GGADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)n(C(C)(C)C)n1 ZINC001590462463 990035056 /nfs/dbraw/zinc/03/50/56/990035056.db2.gz WCKNENONZPNEPG-UHFFFAOYSA-N -2 0 393.509 3.364 20 0 GGADRL CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)s1 ZINC001590481500 990073281 /nfs/dbraw/zinc/07/32/81/990073281.db2.gz FCKPLUPYIIOTCY-UHFFFAOYSA-N -2 0 381.475 3.004 20 0 GGADRL CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1O ZINC001590498542 990108389 /nfs/dbraw/zinc/10/83/89/990108389.db2.gz AWQGHRNLYQHGMG-UHFFFAOYSA-N -2 0 384.841 3.237 20 0 GGADRL CC(C)(C)c1csc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)n1 ZINC001590537642 990156791 /nfs/dbraw/zinc/15/67/91/990156791.db2.gz YSQFNBVYMFYFJZ-UHFFFAOYSA-N -2 0 376.406 3.218 20 0 GGADRL CC(C)(C)c1nc([N-]S(=O)(=O)c2cccc3cccnc32)sc1C(=O)[O-] ZINC001590545614 990183740 /nfs/dbraw/zinc/18/37/40/990183740.db2.gz LCTQFZHWHIHPKL-UHFFFAOYSA-N 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CC(C)[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC001591058638 991475267 /nfs/dbraw/zinc/47/52/67/991475267.db2.gz SCQKYCAQUILNAS-IBGZPJMESA-N -2 0 389.473 3.161 20 0 GGADRL COc1ncc(C)cc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001599735120 991763469 /nfs/dbraw/zinc/76/34/69/991763469.db2.gz DFKRTNOOFZVXMX-UHFFFAOYSA-N -2 0 391.232 3.204 20 0 GGADRL CC(C)CCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)n1 ZINC001591277154 992202156 /nfs/dbraw/zinc/20/21/56/992202156.db2.gz QANCSHKXCQMOND-UHFFFAOYSA-N -2 0 389.836 3.221 20 0 GGADRL CC(C)CN(CC(C)(C)C(=O)[O-])S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC001591313600 992277720 /nfs/dbraw/zinc/27/77/20/992277720.db2.gz CQLXGOCMFVKSGK-UHFFFAOYSA-N -2 0 397.415 3.169 20 0 GGADRL CC(C)COc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cn1 ZINC001591401438 992472899 /nfs/dbraw/zinc/47/28/99/992472899.db2.gz OMYMMVCHGLBKTD-UHFFFAOYSA-N -2 0 384.841 3.269 20 0 GGADRL CN1CCCc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3F)ccc21 ZINC001598603221 993598130 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GGADRL C[C@](NCC(=O)[N-]OCc1ccccc1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593236537 994406192 /nfs/dbraw/zinc/40/61/92/994406192.db2.gz FZHVUXATVSXQJS-GOSISDBHSA-N -2 0 397.258 3.131 20 0 GGADRL C[C@]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)(c1ccccc1)C(F)(F)F ZINC001593325678 994867767 /nfs/dbraw/zinc/86/77/67/994867767.db2.gz KGUYBOIQDRUWCO-INIZCTEOSA-N -2 0 387.379 3.282 20 0 GGADRL C[C@@]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)(C1CC1)C(F)(F)F ZINC001593326669 994879935 /nfs/dbraw/zinc/87/99/35/994879935.db2.gz NSSZIMLPXIJIGT-GFCCVEGCSA-N -2 0 389.754 3.187 20 0 GGADRL C[C@@H](Sc1ccccc1C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)C(=O)[O-] ZINC001593669174 996069531 /nfs/dbraw/zinc/06/95/31/996069531.db2.gz PXIPGMIMDNJHEC-WBMJQRKESA-N -2 0 385.441 3.076 20 0 GGADRL COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2sc(C)c(C)c2C(=O)[O-])cc1 ZINC001598835020 996475942 /nfs/dbraw/zinc/47/59/42/996475942.db2.gz UBGRISCOSGVLNE-RMKNXTFCSA-N -2 0 395.458 3.050 20 0 GGADRL C[C@@]1(C(=O)[O-])CCN(Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC001593797162 996514224 /nfs/dbraw/zinc/51/42/24/996514224.db2.gz IGBCICNAVDEYFY-CYBMUJFWSA-N -2 0 393.075 3.214 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc2c(cccc2Cl)s1 ZINC001599383350 996897931 /nfs/dbraw/zinc/89/79/31/996897931.db2.gz BIZWLFWFQMDMPO-UHFFFAOYSA-N -2 0 398.849 3.457 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnccc1-c1ccccc1 ZINC001599383487 996900808 /nfs/dbraw/zinc/90/08/08/996900808.db2.gz GRGNXOYDVVBPEN-UHFFFAOYSA-N -2 0 384.413 3.256 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N(C)C(C)C)c(F)c1 ZINC001599383933 996909708 /nfs/dbraw/zinc/90/97/08/996909708.db2.gz NFENQPIFXMFNKR-UHFFFAOYSA-N -2 0 396.440 3.178 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1OC(C)(C)C ZINC001599384019 996911561 /nfs/dbraw/zinc/91/15/61/996911561.db2.gz QWICJIAYARITAL-UHFFFAOYSA-N -2 0 379.434 3.372 20 0 GGADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)s1 ZINC001599384160 996913489 /nfs/dbraw/zinc/91/34/89/996913489.db2.gz TUFAHHZHATUWFW-UHFFFAOYSA-N -2 0 390.442 3.318 20 0 GGADRL COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)sc2C(=O)[O-])cc1C ZINC001598888143 996938445 /nfs/dbraw/zinc/93/84/45/996938445.db2.gz UUJQGYHJAOJLBL-UHFFFAOYSA-N -2 0 384.435 3.042 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(CCC(C)C)cn1 ZINC001599387368 996969451 /nfs/dbraw/zinc/96/94/51/996969451.db2.gz KTNFVHMDHKWRED-UHFFFAOYSA-N -2 0 384.479 3.239 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC001599387319 996969490 /nfs/dbraw/zinc/96/94/90/996969490.db2.gz IEZSDDMBYYBPQJ-UHFFFAOYSA-N -2 0 377.390 3.367 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC001599387844 996977388 /nfs/dbraw/zinc/97/73/88/996977388.db2.gz PCSRKKWDZAPZCL-UHFFFAOYSA-N -2 0 379.818 3.357 20 0 GGADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cnccc1-c1ccccc1 ZINC001599388194 996983827 /nfs/dbraw/zinc/98/38/27/996983827.db2.gz WJSUEGMDDBSHHB-UHFFFAOYSA-N -2 0 390.442 3.318 20 0 GGADRL COCc1cc(NC(=O)c2nn(-c3ccc(F)cc3C)cc2[O-])cc(C(=O)[O-])c1 ZINC001599287642 997007839 /nfs/dbraw/zinc/00/78/39/997007839.db2.gz CNPLWYHXDFWBCV-UHFFFAOYSA-N -2 0 399.378 3.122 20 0 GGADRL COCc1cc([N-]S(=O)(=O)c2cc(C)cc3cccnc32)cc(C(=O)[O-])c1 ZINC001599289255 997034316 /nfs/dbraw/zinc/03/43/16/997034316.db2.gz HYWQXGLJROCHNJ-UHFFFAOYSA-N -2 0 386.429 3.189 20 0 GGADRL COCc1cc([N-]S(=O)(=O)c2cccc3ccc(C)nc32)cc(C(=O)[O-])c1 ZINC001599289462 997038218 /nfs/dbraw/zinc/03/82/18/997038218.db2.gz MOFZSOLDGIRZOE-UHFFFAOYSA-N -2 0 386.429 3.189 20 0 GGADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3ccc(OCCC(=O)[O-])cc3)c2O1 ZINC001593969576 997138137 /nfs/dbraw/zinc/13/81/37/997138137.db2.gz ZEAHCRPIMBZDBS-UHFFFAOYSA-N -2 0 391.445 3.054 20 0 GGADRL CC1(C)Oc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3C(=O)[O-])cc2O1 ZINC001593981658 997204182 /nfs/dbraw/zinc/20/41/82/997204182.db2.gz ILDYURPHHHTPFW-UHFFFAOYSA-N -2 0 383.809 3.346 20 0 GGADRL COCc1nc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)[O-] ZINC001599303349 997269846 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/nfs/dbraw/zinc/88/91/64/997889164.db2.gz QKGYINVASYURJH-HNNXBMFYSA-N -2 0 397.836 3.309 20 0 GGADRL CC1(c2cc([N-]S(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)no2)CCCC1 ZINC001594069809 997904206 /nfs/dbraw/zinc/90/42/06/997904206.db2.gz ORYSDELTUOHLJF-RMKNXTFCSA-N -2 0 376.434 3.405 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2cc(F)cc(Cl)c2)NC(=O)N1CCCCC(=O)[O-] ZINC001594095468 998066929 /nfs/dbraw/zinc/06/69/29/998066929.db2.gz QKPIFZBHRFDQJL-HNNXBMFYSA-N -2 0 384.791 3.159 20 0 GGADRL COC(=O)c1cc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])cc(C(=O)[O-])c1 ZINC001598946742 998070458 /nfs/dbraw/zinc/07/04/58/998070458.db2.gz ZWRKRGJNABCGFU-UHFFFAOYSA-N -2 0 384.171 3.436 20 0 GGADRL Cc1[n-]n(-c2nc(C)nc3sc(-c4ccccc4)cc32)c(=O)c1CC(=O)[O-] ZINC001594113097 998219290 /nfs/dbraw/zinc/21/92/90/998219290.db2.gz DJFPOLSHYCYZDM-ZDUSSCGKSA-N -2 0 380.429 3.480 20 0 GGADRL COC(=O)c1cc(S(=O)(=O)[N-]c2c(C(=O)[O-])ccc3ccccc32)cs1 ZINC001598955674 998236357 /nfs/dbraw/zinc/23/63/57/998236357.db2.gz LRFJLWCEQRTUNX-UHFFFAOYSA-N -2 0 391.426 3.187 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2nc3c(cc(C)cc3C)s2)ccc1C(=O)[O-] ZINC001599459052 998240125 /nfs/dbraw/zinc/24/01/25/998240125.db2.gz FNIQDHAAEDFFKK-UHFFFAOYSA-N -2 0 392.458 3.421 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)ccc1C(=O)[O-] ZINC001599459384 998244515 /nfs/dbraw/zinc/24/45/15/998244515.db2.gz KQVBAMCVCRHIKK-UHFFFAOYSA-N -2 0 375.324 3.213 20 0 GGADRL COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(-c3ccc(C=O)o3)cc2[O-])c1O ZINC001599362035 998276457 /nfs/dbraw/zinc/27/64/57/998276457.db2.gz DCZXYONKULNMDK-UHFFFAOYSA-N -2 0 397.339 3.129 20 0 GGADRL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC001598968083 998461109 /nfs/dbraw/zinc/46/11/09/998461109.db2.gz MVDDYUVIVOOMRM-UHFFFAOYSA-N -2 0 399.371 3.084 20 0 GGADRL COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc(C[C@@H](C)C(=O)[O-])cc3)n2)cc1 ZINC001599473354 998486433 /nfs/dbraw/zinc/48/64/33/998486433.db2.gz DHVNGJSEOCJLJI-CYBMUJFWSA-N -2 0 395.415 3.102 20 0 GGADRL COc1cc(C(=O)[O-])ccc1NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC001599376031 998487616 /nfs/dbraw/zinc/48/76/16/998487616.db2.gz USIXAHPCIYAJOE-UHFFFAOYSA-N -2 0 387.779 3.190 20 0 GGADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC001599377653 998512962 /nfs/dbraw/zinc/51/29/62/998512962.db2.gz ISHCPDDXUGFUPO-UHFFFAOYSA-N -2 0 391.323 3.093 20 0 GGADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001599377769 998516531 /nfs/dbraw/zinc/51/65/31/998516531.db2.gz NODVGNIQZWCDFV-UHFFFAOYSA-N -2 0 393.314 3.352 20 0 GGADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC001599377947 998519391 /nfs/dbraw/zinc/51/93/91/998519391.db2.gz OWOAJJXIJUEDBW-UHFFFAOYSA-N -2 0 393.314 3.352 20 0 GGADRL COC(=O)c1ccc2ccccc2c1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001598991156 998738668 /nfs/dbraw/zinc/73/86/68/998738668.db2.gz FMBUSNCWQYGQDN-UHFFFAOYSA-N -2 0 399.424 3.434 20 0 GGADRL COC(=O)c1sc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c(C)c1Cl ZINC001599022155 998989306 /nfs/dbraw/zinc/98/93/06/998989306.db2.gz AULYTVIJERDRTI-UHFFFAOYSA-N -2 0 395.867 3.057 20 0 GGADRL C[C@@H]1CC[C@](NC(=O)c2cc(F)c(F)c([O-])c2F)(C(=O)[O-])c2ccccc21 ZINC001594322503 999242941 /nfs/dbraw/zinc/24/29/41/999242941.db2.gz MTNHMXAJYNCEMQ-AYLIAGHASA-N -2 0 379.334 3.417 20 0 GGADRL C[C@H]1CCC[C@H](OCc2cccc([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])c2)C1 ZINC001594355947 999342829 /nfs/dbraw/zinc/34/28/29/999342829.db2.gz NYJOHHZIHIRTLY-WFASDCNBSA-N -2 0 393.465 3.004 20 0 GGADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000012521248 221201117 /nfs/dbraw/zinc/20/11/17/221201117.db2.gz RSJWSYFMQWAIJU-UHFFFAOYSA-N -2 0 377.752 3.440 20 0 GGADRL CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C)O[C@@H](C)C2 ZINC000012526408 221201164 /nfs/dbraw/zinc/20/11/64/221201164.db2.gz XGFSNQZQGZMJFL-LBPRGKRZSA-N -2 0 391.445 3.216 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000012799867 221233582 /nfs/dbraw/zinc/23/35/82/221233582.db2.gz DHQQFCZIYCFVQW-UHFFFAOYSA-N -2 0 375.324 3.393 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)cc1C(=O)[O-] ZINC000014205695 221304675 /nfs/dbraw/zinc/30/46/75/221304675.db2.gz OOGRKVSHXXVNOG-UHFFFAOYSA-N -2 0 389.351 3.435 20 0 GGADRL CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000057432428 222032327 /nfs/dbraw/zinc/03/23/27/222032327.db2.gz HRAHMQYRYUQFRM-UHFFFAOYSA-N -2 0 379.434 3.291 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000054294820 222012982 /nfs/dbraw/zinc/01/29/82/222012982.db2.gz BWDIKPNHCTYYGX-UHFFFAOYSA-N -2 0 375.446 3.002 20 0 GGADRL CC(C)n1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000066585390 222140721 /nfs/dbraw/zinc/14/07/21/222140721.db2.gz OUCPUMOFLLDPHQ-UHFFFAOYSA-N -2 0 378.237 3.270 20 0 GGADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1OC ZINC000072306291 222221472 /nfs/dbraw/zinc/22/14/72/222221472.db2.gz VOCVZQWVGKWVDI-UHFFFAOYSA-N -2 0 379.434 3.326 20 0 GGADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000078900003 222298434 /nfs/dbraw/zinc/29/84/34/222298434.db2.gz XMQONQFKIDASCK-UHFFFAOYSA-N -2 0 377.315 3.272 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c1 ZINC000115869652 564200406 /nfs/dbraw/zinc/20/04/06/564200406.db2.gz HTMZILSJDMAJCJ-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccc(Cl)s1)OCCCO2 ZINC000010657361 564258906 /nfs/dbraw/zinc/25/89/06/564258906.db2.gz UGZJBQWCXAPURS-UHFFFAOYSA-N -2 0 389.838 3.062 20 0 GGADRL O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1ccccc1Cl)OCCCO2 ZINC000010657365 564259153 /nfs/dbraw/zinc/25/91/53/564259153.db2.gz JSQRKGQBZQHWBD-UHFFFAOYSA-N -2 0 383.809 3.000 20 0 GGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000013278934 564275503 /nfs/dbraw/zinc/27/55/03/564275503.db2.gz FXMAWHYKOZBTTC-UHFFFAOYSA-N -2 0 382.419 3.124 20 0 GGADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c[nH]1 ZINC000120323536 564315974 /nfs/dbraw/zinc/31/59/74/564315974.db2.gz DDBQNMDYDSWULU-UHFFFAOYSA-N -2 0 377.344 3.051 20 0 GGADRL CC(C)CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000024432682 564330390 /nfs/dbraw/zinc/33/03/90/564330390.db2.gz ZETQNFBAWRQEDB-UHFFFAOYSA-N -2 0 382.463 3.232 20 0 GGADRL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000031666100 564390722 /nfs/dbraw/zinc/39/07/22/564390722.db2.gz SLFFKMUERWMNNI-UHFFFAOYSA-N -2 0 385.825 3.170 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2)c(Br)s1 ZINC000032585594 564402711 /nfs/dbraw/zinc/40/27/11/564402711.db2.gz AQHADJITFSMWKY-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)sc1C(=O)[O-] ZINC000037225783 564420504 /nfs/dbraw/zinc/42/05/04/564420504.db2.gz CODAABUQROMXCU-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)c(C(=O)[O-])c1 ZINC000037374364 564420750 /nfs/dbraw/zinc/42/07/50/564420750.db2.gz JTYNNYJLMRZMIZ-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000042796578 564450648 /nfs/dbraw/zinc/45/06/48/564450648.db2.gz XQQPIVBMLRUHBY-UHFFFAOYSA-N -2 0 383.809 3.100 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])sc1Br ZINC000123550771 564452854 /nfs/dbraw/zinc/45/28/54/564452854.db2.gz LKMQMHNCPUCRTJ-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2sccc2Br)ccc1C(=O)[O-] ZINC000044750119 564472678 /nfs/dbraw/zinc/47/26/78/564472678.db2.gz PREZCIYEQCMJRJ-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1Cl ZINC000048382608 564538206 /nfs/dbraw/zinc/53/82/06/564538206.db2.gz VHDGAAPCGPBPJS-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1sccc1Br ZINC000048440906 564539512 /nfs/dbraw/zinc/53/95/12/564539512.db2.gz YHSFFBMEOBTKDJ-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1sccc1Br ZINC000048441030 564540513 /nfs/dbraw/zinc/54/05/13/564540513.db2.gz AMJOAAVYWONXNH-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000057115591 564660014 /nfs/dbraw/zinc/66/00/14/564660014.db2.gz YBEIIKMDDQGJRW-UHFFFAOYSA-N -2 0 390.244 3.430 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)c(F)c1 ZINC000063009466 564713209 /nfs/dbraw/zinc/71/32/09/564713209.db2.gz UTNROSHXJUOUOP-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1F ZINC000133655024 564781123 /nfs/dbraw/zinc/78/11/23/564781123.db2.gz KDPMHPAWVQABGD-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)c2C)o1 ZINC000135405244 564829940 /nfs/dbraw/zinc/82/99/40/564829940.db2.gz HAJMWVLXNMZXME-UHFFFAOYSA-N -2 0 381.435 3.155 20 0 GGADRL CC(=O)Nc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000069646943 564842439 /nfs/dbraw/zinc/84/24/39/564842439.db2.gz IVXZUZFWMAOSFU-UHFFFAOYSA-N -2 0 388.854 3.167 20 0 GGADRL COc1ccc(Br)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000070156651 564849298 /nfs/dbraw/zinc/84/92/98/564849298.db2.gz YWOXZBLNHIZAHB-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL Cc1cc(Br)ccc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000070156522 564849345 /nfs/dbraw/zinc/84/93/45/564849345.db2.gz ANMVXYSNZXRBHE-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1ccc(Br)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000070156621 564849524 /nfs/dbraw/zinc/84/95/24/564849524.db2.gz LPHFSKFTFQAURS-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cccc([N-]S(=O)(=O)c2sccc2Br)c1C(=O)[O-] ZINC000071171311 564856489 /nfs/dbraw/zinc/85/64/89/564856489.db2.gz JLKVJDLGGXDDLU-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cccn2)c1 ZINC000071946534 564859137 /nfs/dbraw/zinc/85/91/37/564859137.db2.gz KBGFKQIXABQPDX-UHFFFAOYSA-N -2 0 383.838 3.086 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cnn1CCC(C)C ZINC000137814435 564864141 /nfs/dbraw/zinc/86/41/41/564864141.db2.gz JMIUWSZZOVIMFS-UHFFFAOYSA-N -2 0 385.873 3.390 20 0 GGADRL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2cnn(CC3CC3)c2)c1 ZINC000078938886 564865715 /nfs/dbraw/zinc/86/57/15/564865715.db2.gz WVDCUDUXONHRRH-UHFFFAOYSA-N -2 0 390.248 3.099 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1Br ZINC000147469763 564882740 /nfs/dbraw/zinc/88/27/40/564882740.db2.gz CEYHTKRBVCNFOG-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)sc1Br ZINC000149456325 564885801 /nfs/dbraw/zinc/88/58/01/564885801.db2.gz YUMPFCLEGSJBMY-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1sccc1Br ZINC000149411724 564886076 /nfs/dbraw/zinc/88/60/76/564886076.db2.gz ZOFNQLFQNPOXQW-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1Br ZINC000152466238 564960575 /nfs/dbraw/zinc/96/05/75/564960575.db2.gz DLUWRSUTFKNVMG-UHFFFAOYSA-N -2 0 384.251 3.185 20 0 GGADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2sccc2Br)c1 ZINC000108931840 565018974 /nfs/dbraw/zinc/01/89/74/565018974.db2.gz AMMKTZAYSHFSBW-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2ccc(Br)cc2F)cccc1C(=O)[O-] ZINC000154461247 565040155 /nfs/dbraw/zinc/04/01/55/565040155.db2.gz ISWIRJTXKFRLJH-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1sccc1Br ZINC000111309560 565052010 /nfs/dbraw/zinc/05/20/10/565052010.db2.gz APWJXTGELYEMIE-UHFFFAOYSA-N -2 0 392.252 3.018 20 0 GGADRL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000155528061 565068741 /nfs/dbraw/zinc/06/87/41/565068741.db2.gz ORNARWOBWRWFMF-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL Cc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000184151507 565116335 /nfs/dbraw/zinc/11/63/35/565116335.db2.gz UAEFFBOTWGSORN-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2F)ccc1Br ZINC000157134277 565120309 /nfs/dbraw/zinc/12/03/09/565120309.db2.gz FBOHYYVOTMYFRA-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)cc1 ZINC000185570689 565208536 /nfs/dbraw/zinc/20/85/36/565208536.db2.gz FCLDUSGEJFABIT-UHFFFAOYSA-N -2 0 388.214 3.016 20 0 GGADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000273980848 565349943 /nfs/dbraw/zinc/34/99/43/565349943.db2.gz HQMUSFMMBPLBKS-UHFFFAOYSA-N -2 0 387.504 3.433 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c(O)c1 ZINC000391204981 565560443 /nfs/dbraw/zinc/56/04/43/565560443.db2.gz ZKRODZRTUPXEIG-UHFFFAOYSA-N -2 0 380.180 3.337 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c(OC)c1 ZINC000392754721 565566716 /nfs/dbraw/zinc/56/67/16/565566716.db2.gz CQSHFKMINWVQON-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1O ZINC000392849897 565567032 /nfs/dbraw/zinc/56/70/32/565567032.db2.gz WLFUXIZUFGWBIW-UHFFFAOYSA-N -2 0 393.751 3.146 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1F ZINC000312927023 565583086 /nfs/dbraw/zinc/58/30/86/565583086.db2.gz DLHOGCQGCCYJAO-UHFFFAOYSA-N -2 0 380.216 3.149 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)c(F)c1 ZINC000404989875 565585638 /nfs/dbraw/zinc/58/56/38/565585638.db2.gz ZQPABNLPLAYQET-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000314541478 565587941 /nfs/dbraw/zinc/58/79/41/565587941.db2.gz CVXQHVCKYGJLLV-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)c(F)c2)c(F)c1 ZINC000317739107 565595344 /nfs/dbraw/zinc/59/53/44/565595344.db2.gz PULKCCMXGGYVQP-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000322400249 565609216 /nfs/dbraw/zinc/60/92/16/565609216.db2.gz RSHAGZZEUXJZOG-JTQLQIEISA-N -2 0 399.266 3.223 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cccn2)cs1 ZINC000324567606 565619024 /nfs/dbraw/zinc/61/90/24/565619024.db2.gz KKSCMJMSVPXFKF-UHFFFAOYSA-N -2 0 383.838 3.086 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c(Cl)c1 ZINC000326688919 565625011 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GGADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)cc2)c1F ZINC000193041062 565727758 /nfs/dbraw/zinc/72/77/58/565727758.db2.gz CMBUJAIYGAHRGX-UHFFFAOYSA-N -2 0 392.177 3.226 20 0 GGADRL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(Cl)cc(Br)c1[O-] ZINC000176472158 565775438 /nfs/dbraw/zinc/77/54/38/565775438.db2.gz MIJXYWHZXSDISL-VIFPVBQESA-N -2 0 384.679 3.119 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cnn1C1CCCC1 ZINC000194226343 565803110 /nfs/dbraw/zinc/80/31/10/565803110.db2.gz IFTTVERZNSMTCH-UHFFFAOYSA-N -2 0 383.857 3.459 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)c1 ZINC000178332833 565913420 /nfs/dbraw/zinc/91/34/20/565913420.db2.gz FJNBDTWZHIHLDY-UHFFFAOYSA-N -2 0 377.809 3.025 20 0 GGADRL O=C([O-])CC1(CNS(=O)(=O)c2ccc(Cl)c(Br)c2)CCC1 ZINC000236428679 565938163 /nfs/dbraw/zinc/93/81/63/565938163.db2.gz PLHXTUVRUHJFHC-UHFFFAOYSA-N -2 0 396.690 3.026 20 0 GGADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)s1 ZINC000179012621 565952145 /nfs/dbraw/zinc/95/21/45/565952145.db2.gz ONIDYRAVPLXFGH-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000509102673 566262857 /nfs/dbraw/zinc/26/28/57/566262857.db2.gz IMELQYBDJXRXPM-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000535136687 566279631 /nfs/dbraw/zinc/27/96/31/566279631.db2.gz FIHKZHWZMKDKFY-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000556346651 566287212 /nfs/dbraw/zinc/28/72/12/566287212.db2.gz GZMSZBNHQLTSMQ-UHFFFAOYSA-N -2 0 395.742 3.265 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)ccc1C(=O)[O-] ZINC000556351061 566288687 /nfs/dbraw/zinc/28/86/87/566288687.db2.gz HNGGOTGYHHRPSI-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL Cc1nc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000509397058 566298021 /nfs/dbraw/zinc/29/80/21/566298021.db2.gz QFXYVCFXAIJZBP-UHFFFAOYSA-N -2 0 378.303 3.047 20 0 GGADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000509554570 566316345 /nfs/dbraw/zinc/31/63/45/566316345.db2.gz HDTKOFNUABTJDJ-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1 ZINC000535687745 566318950 /nfs/dbraw/zinc/31/89/50/566318950.db2.gz FMQTVXMHOOJGJE-UHFFFAOYSA-N -2 0 395.234 3.429 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000509663892 566325727 /nfs/dbraw/zinc/32/57/27/566325727.db2.gz IYISZBWBNPLNRG-UHFFFAOYSA-N -2 0 383.809 3.100 20 0 GGADRL COc1cc(SC)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000446625905 566358660 /nfs/dbraw/zinc/35/86/60/566358660.db2.gz SZSQSXOCYBNPQA-UHFFFAOYSA-N -2 0 385.438 3.364 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)n[nH]2)o1 ZINC000446620195 566359424 /nfs/dbraw/zinc/35/94/24/566359424.db2.gz NJVNOIXDDWVSGV-UHFFFAOYSA-N -2 0 381.797 3.131 20 0 GGADRL COc1cc(O)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1 ZINC000446625666 566359725 /nfs/dbraw/zinc/35/97/25/566359725.db2.gz SCUCURZMQCOHBN-UHFFFAOYSA-N -2 0 385.463 3.259 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)n[nH]2)o1 ZINC000446621850 566359752 /nfs/dbraw/zinc/35/97/52/566359752.db2.gz CXHFRDVFTVGGNN-UHFFFAOYSA-N -2 0 381.797 3.131 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(CC(C)C)c1C(F)F ZINC000536303662 566364559 /nfs/dbraw/zinc/36/45/59/566364559.db2.gz AVLAWYJLYIFAAP-UHFFFAOYSA-N -2 0 393.437 3.346 20 0 GGADRL O=C([O-])COc1ccc(/C=C\c2ncc(C(=O)[O-])s2)cc1Br ZINC000463044977 566378298 /nfs/dbraw/zinc/37/82/98/566378298.db2.gz UZWJLSVUZVPGQY-RQOWECAXSA-N -2 0 384.207 3.238 20 0 GGADRL COc1ccnc2c([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)cccc12 ZINC000536609747 566388932 /nfs/dbraw/zinc/38/89/32/566388932.db2.gz RVWRGJQWIQHGLQ-UHFFFAOYSA-N -2 0 378.431 3.112 20 0 GGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1OC ZINC000447786969 566430288 /nfs/dbraw/zinc/43/02/88/566430288.db2.gz IHEGBFMKKOANBP-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c(F)c1 ZINC000484529264 566434459 /nfs/dbraw/zinc/43/44/59/566434459.db2.gz CTQAMYUKOBTZBB-UHFFFAOYSA-N -2 0 378.406 3.448 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2Br)ccc1C(=O)[O-] ZINC000484783989 566454939 /nfs/dbraw/zinc/45/49/39/566454939.db2.gz LYFCQYZLZWXWGQ-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000484952682 566464788 /nfs/dbraw/zinc/46/47/88/566464788.db2.gz ALKNYQHOHIFTGU-UHFFFAOYSA-N -2 0 387.816 3.306 20 0 GGADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000484965230 566466403 /nfs/dbraw/zinc/46/64/03/566466403.db2.gz ASPKYTCYYFWBSR-UHFFFAOYSA-N -2 0 383.853 3.475 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(OCC(F)(F)F)c1 ZINC000511744737 566487066 /nfs/dbraw/zinc/48/70/66/566487066.db2.gz XIPGRBMCHMNBPF-UHFFFAOYSA-N -2 0 395.380 3.497 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)nn1-c1ccc(C)cc1 ZINC000538296898 566505532 /nfs/dbraw/zinc/50/55/32/566505532.db2.gz QHJNZFLQJPSXKQ-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL O=C(N=c1[n-]nc(CC(F)(F)F)s1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000558764616 566505663 /nfs/dbraw/zinc/50/56/63/566505663.db2.gz MZIPEKAHUUZEHF-UHFFFAOYSA-N -2 0 388.758 3.224 20 0 GGADRL CCC(CC)(CNC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)C(=O)[O-] ZINC000424385799 566530216 /nfs/dbraw/zinc/53/02/16/566530216.db2.gz USWFXPZMUPVBLO-UHFFFAOYSA-N -2 0 382.873 3.293 20 0 GGADRL CC(C)C[C@@H](CNC(=O)N=c1nc(-c2ccccc2Cl)[n-]s1)C(=O)[O-] ZINC000424389000 566532940 /nfs/dbraw/zinc/53/29/40/566532940.db2.gz ZYVDXMYXWRSYDU-JTQLQIEISA-N -2 0 382.873 3.149 20 0 GGADRL CN(C)c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000673896896 566565624 /nfs/dbraw/zinc/56/56/24/566565624.db2.gz LLUQTEMWTXNYKO-UHFFFAOYSA-N -2 0 394.396 3.332 20 0 GGADRL COC(=O)c1ccc(C(C)C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000466477694 566579517 /nfs/dbraw/zinc/57/95/17/566579517.db2.gz PVIAZQADYCKYRP-UHFFFAOYSA-N -2 0 383.447 3.157 20 0 GGADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000539596519 566589770 /nfs/dbraw/zinc/58/97/70/566589770.db2.gz MTVJVXVDCBSVPE-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)c1 ZINC000674755228 566606506 /nfs/dbraw/zinc/60/65/06/566606506.db2.gz UCJOWZOHZSDSOM-UHFFFAOYSA-N -2 0 383.838 3.291 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3cccc(Cl)c3)[nH]n2)cs1 ZINC000674754796 566607171 /nfs/dbraw/zinc/60/71/71/566607171.db2.gz FXYLGXQVDTWVNW-UHFFFAOYSA-N -2 0 383.838 3.291 20 0 GGADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000539931930 566615250 /nfs/dbraw/zinc/61/52/50/566615250.db2.gz PXMIWUUDAOVRPR-UHFFFAOYSA-N -2 0 375.233 3.323 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(C)n(-c3ccccc3)n2)sc1C(=O)[O-] ZINC000540040646 566623826 /nfs/dbraw/zinc/62/38/26/566623826.db2.gz YAMFCKVFWHDXTD-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL COc1cc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c(F)c1 ZINC000606342986 566627732 /nfs/dbraw/zinc/62/77/32/566627732.db2.gz ORIIISTUAIFTEP-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC000675284537 566636483 /nfs/dbraw/zinc/63/64/83/566636483.db2.gz DIPIYNWPBQXPIP-NSHDSACASA-N -2 0 377.447 3.053 20 0 GGADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1OC ZINC000467299410 566639992 /nfs/dbraw/zinc/63/99/92/566639992.db2.gz JNZJERYUFYKFTQ-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1OC ZINC000467325275 566641695 /nfs/dbraw/zinc/64/16/95/566641695.db2.gz ZEWCIXMJZIGYSI-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL CCCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1OC ZINC000629331681 566646434 /nfs/dbraw/zinc/64/64/34/566646434.db2.gz WGIQCQOKSZJMSV-UHFFFAOYSA-N -2 0 385.463 3.353 20 0 GGADRL CC[C@@H](CCc1ccccc1)NS(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000629334345 566646543 /nfs/dbraw/zinc/64/65/43/566646543.db2.gz JZCXKTLBUXHXMT-ZDUSSCGKSA-N -2 0 383.491 3.145 20 0 GGADRL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl)C(F)(F)F ZINC000580474020 566695721 /nfs/dbraw/zinc/69/57/21/566695721.db2.gz AIGBIOMCQUNKRN-YFKPBYRVSA-N -2 0 398.161 3.064 20 0 GGADRL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000541301763 566714268 /nfs/dbraw/zinc/71/42/68/566714268.db2.gz BFNUMNQSJRJTBI-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn([C@H](C)C2CC2)c1 ZINC000488328804 566721338 /nfs/dbraw/zinc/72/13/38/566721338.db2.gz GFGGYTHHVVKTLE-SNVBAGLBSA-N -2 0 383.857 3.315 20 0 GGADRL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)s1 ZINC000677234812 566732126 /nfs/dbraw/zinc/73/21/26/566732126.db2.gz MNIMXAFXJXZUHK-UHFFFAOYSA-N -2 0 380.369 3.278 20 0 GGADRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000677298571 566737683 /nfs/dbraw/zinc/73/76/83/566737683.db2.gz OMBITIHATCDLKR-UHFFFAOYSA-N -2 0 377.752 3.126 20 0 GGADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000541793365 566747550 /nfs/dbraw/zinc/74/75/50/566747550.db2.gz VJSCKQNCDFVWAY-UHFFFAOYSA-N -2 0 379.772 3.117 20 0 GGADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000541807341 566751257 /nfs/dbraw/zinc/75/12/57/566751257.db2.gz GWHFMGOUFAVORN-LLVKDONJSA-N -2 0 383.853 3.413 20 0 GGADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000541807342 566751436 /nfs/dbraw/zinc/75/14/36/566751436.db2.gz GWHFMGOUFAVORN-NSHDSACASA-N -2 0 383.853 3.413 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cnc2OC(C)C)sc1C(=O)[O-] ZINC000451092188 566754155 /nfs/dbraw/zinc/75/41/55/566754155.db2.gz BQWAUJRBWPCOJC-UHFFFAOYSA-N -2 0 390.870 3.391 20 0 GGADRL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000541910037 566759328 /nfs/dbraw/zinc/75/93/28/566759328.db2.gz UYGHOMFPHGGZOM-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000516805943 566783992 /nfs/dbraw/zinc/78/39/92/566783992.db2.gz GANFXXFZWZWLSG-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)ccc1O ZINC000562532030 566799917 /nfs/dbraw/zinc/79/99/17/566799917.db2.gz NCKHZFQTCBFHCA-UHFFFAOYSA-N -2 0 392.252 3.024 20 0 GGADRL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489699605 566803946 /nfs/dbraw/zinc/80/39/46/566803946.db2.gz BJYUJYUKNVGTON-UHFFFAOYSA-N -2 0 385.825 3.246 20 0 GGADRL Cc1ccc(-c2[n-][nH]c(=NC(=O)c3ccc(Br)cc3[O-])c2C)o1 ZINC000562595741 566805939 /nfs/dbraw/zinc/80/59/39/566805939.db2.gz LXUUXVFWEDIVRT-UHFFFAOYSA-N -2 0 376.210 3.429 20 0 GGADRL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000542734113 566821468 /nfs/dbraw/zinc/82/14/68/566821468.db2.gz LAWMYDULXFRITE-UHFFFAOYSA-N -2 0 379.772 3.117 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2scnc2C2CC2)c(C)c1CC(=O)[O-] ZINC000542941939 566841602 /nfs/dbraw/zinc/84/16/02/566841602.db2.gz ITDMBBUWUZJPGS-UHFFFAOYSA-N -2 0 380.491 3.374 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)sc1C(=O)[O-] ZINC000470439099 566871708 /nfs/dbraw/zinc/87/17/08/566871708.db2.gz SWSGNNOJQKDOIG-UHFFFAOYSA-N -2 0 381.353 3.296 20 0 GGADRL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1 ZINC000563326110 566876467 /nfs/dbraw/zinc/87/64/67/566876467.db2.gz RNOAIKLMTCWNIM-UHFFFAOYSA-N -2 0 375.324 3.013 20 0 GGADRL Cc1ccc([C@@H]([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C(F)(F)F)o1 ZINC000656181397 566881196 /nfs/dbraw/zinc/88/11/96/566881196.db2.gz RYKXUFKOVHWQMW-CYBMUJFWSA-N -2 0 377.340 3.009 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1csc(-c2ccccn2)n1 ZINC000543661704 566899208 /nfs/dbraw/zinc/89/92/08/566899208.db2.gz FSCRJUUZDSNLGE-UHFFFAOYSA-N -2 0 375.431 3.013 20 0 GGADRL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000680489566 566912797 /nfs/dbraw/zinc/91/27/97/566912797.db2.gz YMSHOKXPKBNFQP-NSHDSACASA-N -2 0 383.853 3.413 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cc(C(=O)[O-])c1C ZINC000471116618 566928915 /nfs/dbraw/zinc/92/89/15/566928915.db2.gz OGOHJFKEZLGGNI-UHFFFAOYSA-N -2 0 377.447 3.254 20 0 GGADRL COc1ccsc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000471133171 566931909 /nfs/dbraw/zinc/93/19/09/566931909.db2.gz JKPQGXLASFOBMC-UHFFFAOYSA-N -2 0 381.353 3.275 20 0 GGADRL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(F)F ZINC000583247795 566933722 /nfs/dbraw/zinc/93/37/22/566933722.db2.gz WTXGNCDQNCHIQR-ZETCQYMHSA-N -2 0 383.825 3.189 20 0 GGADRL CCn1nccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000471926651 566987529 /nfs/dbraw/zinc/98/75/29/566987529.db2.gz GJKRJKVNPCMUFB-UHFFFAOYSA-N -2 0 377.447 3.131 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Br)o2)ccc1Cl ZINC000544726601 566988385 /nfs/dbraw/zinc/98/83/85/566988385.db2.gz WLVFYTXBMFWWSK-UHFFFAOYSA-N -2 0 380.603 3.195 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)cc1C(=O)[O-] ZINC000471992712 566993704 /nfs/dbraw/zinc/99/37/04/566993704.db2.gz QFNILNZGCRPCOG-UHFFFAOYSA-N -2 0 389.788 3.082 20 0 GGADRL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000565056110 567034455 /nfs/dbraw/zinc/03/44/55/567034455.db2.gz MOCSLNANFIPVRN-JOYOIKCWSA-N -2 0 381.828 3.320 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc(OC)c1C ZINC000431151315 567059859 /nfs/dbraw/zinc/05/98/59/567059859.db2.gz JGMINHJQGMOENI-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000546151407 567109480 /nfs/dbraw/zinc/10/94/80/567109480.db2.gz NIASZACUDVNNHU-UHFFFAOYSA-N -2 0 381.219 3.245 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000588635374 567130280 /nfs/dbraw/zinc/13/02/80/567130280.db2.gz XYAMZIMWOJIIAS-UHFFFAOYSA-N -2 0 378.431 3.112 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)sc1C(=O)[O-] ZINC000588832925 567139761 /nfs/dbraw/zinc/13/97/61/567139761.db2.gz QLDWMTRRXHFIEF-UHFFFAOYSA-N -2 0 382.463 3.272 20 0 GGADRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(C2CC2)nc1 ZINC000683649896 567142874 /nfs/dbraw/zinc/14/28/74/567142874.db2.gz HDKQDGLCCAUCOC-UHFFFAOYSA-N -2 0 381.479 3.212 20 0 GGADRL Cc1ccc(Br)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1 ZINC000498018721 567143488 /nfs/dbraw/zinc/14/34/88/567143488.db2.gz IDNCKVLBQXEBRG-UHFFFAOYSA-N -2 0 384.251 3.185 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2Oc2ccccc2)cs1 ZINC000614843432 567143517 /nfs/dbraw/zinc/14/35/17/567143517.db2.gz PASRKQHNABCRTH-UHFFFAOYSA-N -2 0 376.415 3.434 20 0 GGADRL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC000546780251 567157543 /nfs/dbraw/zinc/15/75/43/567157543.db2.gz KAILFTYWOOXMGN-UHFFFAOYSA-N -2 0 380.603 3.195 20 0 GGADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccc(OCc3cscn3)c2)c1 ZINC000589148859 567161513 /nfs/dbraw/zinc/16/15/13/567161513.db2.gz BLGNDLBIHWGTIV-UHFFFAOYSA-N -2 0 396.471 3.283 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cccc1OCC(F)(F)F ZINC000524102669 567181190 /nfs/dbraw/zinc/18/11/90/567181190.db2.gz MMUCOCFQSJCHGC-UHFFFAOYSA-N -2 0 395.380 3.497 20 0 GGADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1Cl ZINC000547242406 567193479 /nfs/dbraw/zinc/19/34/79/567193479.db2.gz NOYCVOVGKRWHBJ-UHFFFAOYSA-N -2 0 390.244 3.430 20 0 GGADRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000547550889 567219174 /nfs/dbraw/zinc/21/91/74/567219174.db2.gz DMOPZFHWYXXRNQ-UHFFFAOYSA-N -2 0 388.760 3.195 20 0 GGADRL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@H](C)C(F)(F)F ZINC000547613049 567231385 /nfs/dbraw/zinc/23/13/85/567231385.db2.gz RWNFGUMILQWWGK-ZCFIWIBFSA-N -2 0 390.177 3.148 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2sccc2C)c(C(=O)[O-])cc1OC(F)F ZINC000525528296 567253384 /nfs/dbraw/zinc/25/33/84/567253384.db2.gz IERJZTVSYFLHQM-UHFFFAOYSA-N -2 0 393.389 3.166 20 0 GGADRL Cc1cc(F)cc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000547874581 567253977 /nfs/dbraw/zinc/25/39/77/567253977.db2.gz HLLJWTQMIJVYMY-UHFFFAOYSA-N -2 0 378.303 3.047 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cnn1-c1ccc(Cl)cc1 ZINC000567540244 567255419 /nfs/dbraw/zinc/25/54/19/567255419.db2.gz HXAZMFYMCXCCKJ-UHFFFAOYSA-N -2 0 397.865 3.395 20 0 GGADRL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433508362 567255545 /nfs/dbraw/zinc/25/55/45/567255545.db2.gz WCLXAMHVRCCARL-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000433530439 567257034 /nfs/dbraw/zinc/25/70/34/567257034.db2.gz OAPXQXDASSHTQU-UHFFFAOYSA-N -2 0 385.825 3.116 20 0 GGADRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1F ZINC000547934072 567266589 /nfs/dbraw/zinc/26/65/89/567266589.db2.gz BLZBXGRODSOOII-UHFFFAOYSA-N -2 0 378.303 3.047 20 0 GGADRL Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000475740534 567271231 /nfs/dbraw/zinc/27/12/31/567271231.db2.gz BRXDSEKUMHZEHJ-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](c1cccc(C)c1)C(F)(F)F ZINC000567796868 567279219 /nfs/dbraw/zinc/27/92/19/567279219.db2.gz JNTOYEHYVAWBKO-ZDUSSCGKSA-N -2 0 377.340 3.177 20 0 GGADRL Cc1c(F)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000548262536 567301161 /nfs/dbraw/zinc/30/11/61/567301161.db2.gz NNVZOZSZGSPEFQ-UHFFFAOYSA-N -2 0 378.303 3.047 20 0 GGADRL COc1cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c(Cl)cc1C(=O)[O-] ZINC000548477467 567318487 /nfs/dbraw/zinc/31/84/87/567318487.db2.gz GOWXHNXOFZOFGS-UHFFFAOYSA-N -2 0 380.809 3.329 20 0 GGADRL Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)ccc1C(=O)[O-] ZINC000476403103 567320527 /nfs/dbraw/zinc/32/05/27/567320527.db2.gz UNIRXEVSTHFYGU-UHFFFAOYSA-N -2 0 383.809 3.154 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)c2n[nH]cc21 ZINC000476427657 567323399 /nfs/dbraw/zinc/32/33/99/567323399.db2.gz MJANNTLGZWDJFY-UHFFFAOYSA-N -2 0 379.825 3.332 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)cs1 ZINC000477036974 567367156 /nfs/dbraw/zinc/36/71/56/567367156.db2.gz XPGGORSZHAREJB-UHFFFAOYSA-N -2 0 380.369 3.221 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c(O)c1 ZINC000435493104 567372272 /nfs/dbraw/zinc/37/22/72/567372272.db2.gz YYDQAXYEFOFFDU-UHFFFAOYSA-N -2 0 380.180 3.337 20 0 GGADRL COc1cccc(C)c1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000435722896 567386125 /nfs/dbraw/zinc/38/61/25/567386125.db2.gz LTDLIJZFQPPSPG-UHFFFAOYSA-N -2 0 385.825 3.165 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000477390895 567392506 /nfs/dbraw/zinc/39/25/06/567392506.db2.gz GDGUYJDRVFOZAY-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)n[nH]2)s1 ZINC000477427130 567393544 /nfs/dbraw/zinc/39/35/44/567393544.db2.gz YUBPCDYMQZWJMD-UHFFFAOYSA-N -2 0 377.447 3.254 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)c(Cl)c1 ZINC000436476498 567426295 /nfs/dbraw/zinc/42/62/95/567426295.db2.gz JDXNWKXYBIUWET-UHFFFAOYSA-N -2 0 395.849 3.358 20 0 GGADRL Cc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])ccc1C(=O)[O-] ZINC000436474134 567426636 /nfs/dbraw/zinc/42/66/36/567426636.db2.gz BHMAOPFSRJSSLQ-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL Cc1c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cccc1C(=O)[O-] ZINC000436480069 567426838 /nfs/dbraw/zinc/42/68/38/567426838.db2.gz YQMHKSGFWXKHMX-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL O=C([O-])CCCCCS(=O)(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000569924053 567443425 /nfs/dbraw/zinc/44/34/25/567443425.db2.gz WQQOJUFRIDDIOV-CYBMUJFWSA-N -2 0 389.342 3.133 20 0 GGADRL CO[C@H](C)c1nc(=NC(=O)c2cc(Br)cc(Cl)c2[O-])s[n-]1 ZINC000436731138 567447365 /nfs/dbraw/zinc/44/73/65/567447365.db2.gz NXPKPEMWZNVJSP-RXMQYKEDSA-N -2 0 392.662 3.041 20 0 GGADRL CO[C@@H](C)c1nc(=NC(=O)c2cc(Br)cc(Cl)c2[O-])s[n-]1 ZINC000436731139 567447671 /nfs/dbraw/zinc/44/76/71/567447671.db2.gz NXPKPEMWZNVJSP-YFKPBYRVSA-N -2 0 392.662 3.041 20 0 GGADRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000436781090 567451349 /nfs/dbraw/zinc/45/13/49/567451349.db2.gz IDJDCCFJKQAXTE-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1O ZINC000436821507 567454700 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Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)cc1C(=O)[O-] ZINC000462107147 567773617 /nfs/dbraw/zinc/77/36/17/567773617.db2.gz XSXNFWNOTJPKJO-UHFFFAOYSA-N -2 0 375.324 3.218 20 0 GGADRL Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)s1 ZINC000533621334 567777849 /nfs/dbraw/zinc/77/78/49/567777849.db2.gz BPUCKLZFPZZWHU-UHFFFAOYSA-N -2 0 394.243 3.457 20 0 GGADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1OCC(F)F ZINC000574668792 567791609 /nfs/dbraw/zinc/79/16/09/567791609.db2.gz FTCKWFMAEFHMNP-UHFFFAOYSA-N -2 0 395.767 3.384 20 0 GGADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cn(CC(C)C)nc1C(F)F ZINC000534166410 567801863 /nfs/dbraw/zinc/80/18/63/567801863.db2.gz FWOZWZFGMSPNCF-UHFFFAOYSA-N -2 0 393.437 3.346 20 0 GGADRL Cc1nc(C)c([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)s1 ZINC000534236196 567804393 /nfs/dbraw/zinc/80/43/93/567804393.db2.gz VSIWQZWTOPMSQP-UHFFFAOYSA-N -2 0 391.268 3.021 20 0 GGADRL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])s3)n[nH]2)s1 ZINC000444423936 567805826 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0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)C[C@@H]2C=CCC2)o1 ZINC000739218802 599739950 /nfs/dbraw/zinc/73/99/50/599739950.db2.gz ONUPJIOSIJVKEW-GFCCVEGCSA-N -2 0 390.417 3.073 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CN3CCc4ccccc43)cc2)o1 ZINC000740177971 599740372 /nfs/dbraw/zinc/74/03/72/599740372.db2.gz YBIQWGZTLJVHIW-UHFFFAOYSA-N -2 0 398.440 3.341 20 0 GGADRL Cn1ccnc1Sc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000589980566 599752933 /nfs/dbraw/zinc/75/29/33/599752933.db2.gz ANGJWFUNENFSLT-UHFFFAOYSA-N -2 0 389.458 3.070 20 0 GGADRL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000737030144 599765480 /nfs/dbraw/zinc/76/54/80/599765480.db2.gz RHOZINXJGOQNDU-UHFFFAOYSA-N -2 0 397.836 3.406 20 0 GGADRL O=C([O-])CCOc1ccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1 ZINC000739739617 599801192 /nfs/dbraw/zinc/80/11/92/599801192.db2.gz INIRYVLZVSSTHC-FPYGCLRLSA-N -2 0 380.356 3.058 20 0 GGADRL CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])cc1 ZINC000737005026 599812873 /nfs/dbraw/zinc/81/28/73/599812873.db2.gz ZJGKSHXDMLNRIL-UHFFFAOYSA-N -2 0 397.474 3.376 20 0 GGADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000737716608 599814426 /nfs/dbraw/zinc/81/44/26/599814426.db2.gz CJKYODANYDEXHS-UHFFFAOYSA-N -2 0 391.426 3.187 20 0 GGADRL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(C)C)c1 ZINC000737719329 599814945 /nfs/dbraw/zinc/81/49/45/599814945.db2.gz XUYUCXIVCFFYNC-UHFFFAOYSA-N -2 0 383.447 3.157 20 0 GGADRL CCc1c([O-])nc(SCc2cc(C(=O)[O-])co2)n(-c2ccccc2C)c1=O ZINC000737250593 599838190 /nfs/dbraw/zinc/83/81/90/599838190.db2.gz HPYYUWHDHVLTMG-UHFFFAOYSA-N -2 0 386.429 3.392 20 0 GGADRL CCOCCOc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000590469778 599849681 /nfs/dbraw/zinc/84/96/81/599849681.db2.gz IVVGOBLZDNJRTB-UHFFFAOYSA-N -2 0 399.852 3.254 20 0 GGADRL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2sccc2Br)cc1 ZINC000157858592 599852546 /nfs/dbraw/zinc/85/25/46/599852546.db2.gz NXDOQTTZVDVBTO-UHFFFAOYSA-N -2 0 390.280 3.329 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c1C(=O)[O-] ZINC000738970348 599865106 /nfs/dbraw/zinc/86/51/06/599865106.db2.gz VNHRRMQYMQSEBT-UHFFFAOYSA-N -2 0 395.824 3.235 20 0 GGADRL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000035306664 599873367 /nfs/dbraw/zinc/87/33/67/599873367.db2.gz LVVLWXZJPKLYOY-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)sc1C(=O)[O-] ZINC000020565716 599874827 /nfs/dbraw/zinc/87/48/27/599874827.db2.gz SLFRDSLZUYIRDQ-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2ccccc2Br)sc1C(=O)[O-] ZINC000034957451 599876198 /nfs/dbraw/zinc/87/61/98/599876198.db2.gz NCIQEFQEIQIXFU-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000739051154 599885866 /nfs/dbraw/zinc/88/58/66/599885866.db2.gz NXAPKVFLMAPGSH-UHFFFAOYSA-N -2 0 385.873 3.161 20 0 GGADRL Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000739051268 599886445 /nfs/dbraw/zinc/88/64/45/599886445.db2.gz RKEOHYZDWGSJCP-UHFFFAOYSA-N -2 0 385.873 3.161 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Cl)c1-n1cccn1 ZINC000477403499 599905621 /nfs/dbraw/zinc/90/56/21/599905621.db2.gz WRJJLQSQGVSOML-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1-n1cccn1 ZINC000477396312 599905706 /nfs/dbraw/zinc/90/57/06/599905706.db2.gz YPYKSJBNGLPMOK-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL Cc1nn(-c2ccccc2)c(C)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000477420511 599906443 /nfs/dbraw/zinc/90/64/43/599906443.db2.gz BUUMZPOPTIYCEU-UHFFFAOYSA-N -2 0 385.445 3.297 20 0 GGADRL CC(C)Sc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736499254 599912353 /nfs/dbraw/zinc/91/23/53/599912353.db2.gz XYCJNFXOMZPMDW-UHFFFAOYSA-N -2 0 393.486 3.145 20 0 GGADRL Cc1cc(NC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)ccc1C(=O)[O-] ZINC000738448754 599917349 /nfs/dbraw/zinc/91/73/49/599917349.db2.gz NWWKZIICFYGWBD-UHFFFAOYSA-N -2 0 398.440 3.470 20 0 GGADRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)c1 ZINC000135325176 599922842 /nfs/dbraw/zinc/92/28/42/599922842.db2.gz OFXOGZMSFLRXAD-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccccc2SC(=O)N(C)C)c1C(=O)[O-] ZINC000738969529 599924324 /nfs/dbraw/zinc/92/43/24/599924324.db2.gz LIPHDCFZEWHARB-UHFFFAOYSA-N -2 0 398.462 3.169 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(SC(=O)N(C)C)c2)c1C(=O)[O-] ZINC000738969704 599924516 /nfs/dbraw/zinc/92/45/16/599924516.db2.gz PCDOSCODWFYAFO-UHFFFAOYSA-N -2 0 398.462 3.169 20 0 GGADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)ccc1F ZINC000315788514 599924916 /nfs/dbraw/zinc/92/49/16/599924916.db2.gz YMFIDHBXUXQPNK-UHFFFAOYSA-N -2 0 388.214 3.396 20 0 GGADRL COc1cc2nc(C)sc2cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000737910296 599926801 /nfs/dbraw/zinc/92/68/01/599926801.db2.gz YKIYPQYVHUIMOY-UHFFFAOYSA-N -2 0 378.431 3.112 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)c1C(=O)[O-] ZINC000738632534 599927194 /nfs/dbraw/zinc/92/71/94/599927194.db2.gz GLRPMAIIWMTHCJ-UHFFFAOYSA-N -2 0 389.376 3.348 20 0 GGADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1OCC(F)F ZINC000738632760 599927346 /nfs/dbraw/zinc/92/73/46/599927346.db2.gz LHEPAJRYCIMUJB-UHFFFAOYSA-N -2 0 389.351 3.277 20 0 GGADRL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000736158112 599938447 /nfs/dbraw/zinc/93/84/47/599938447.db2.gz MOAXQQYEPKQUBZ-UHFFFAOYSA-N -2 0 386.813 3.007 20 0 GGADRL Cc1cccc(C2(C(=O)[N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)CCCC2)c1 ZINC000738687447 599955047 /nfs/dbraw/zinc/95/50/47/599955047.db2.gz MIGFLBMVIHFUEW-UHFFFAOYSA-N -2 0 387.457 3.010 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c1 ZINC000740235794 599965738 /nfs/dbraw/zinc/96/57/38/599965738.db2.gz PZNHKVACQXBCEW-MOPGFXCFSA-N -2 0 395.436 3.147 20 0 GGADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1 ZINC000740235796 599965822 /nfs/dbraw/zinc/96/58/22/599965822.db2.gz PZNHKVACQXBCEW-RBUKOAKNSA-N -2 0 395.436 3.147 20 0 GGADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccnn1-c1cccc(Cl)c1 ZINC000738276903 599966331 /nfs/dbraw/zinc/96/63/31/599966331.db2.gz KKBAKGIAGDMKLD-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000740075071 599974920 /nfs/dbraw/zinc/97/49/20/599974920.db2.gz WCVLZGLLLRTLLB-UHFFFAOYSA-N -3 0 396.229 3.252 20 0 GGADRL Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000232209984 599981065 /nfs/dbraw/zinc/98/10/65/599981065.db2.gz HYBWUQPLLFAAPY-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)nc2)c1C(=O)[O-] ZINC000738743418 599982064 /nfs/dbraw/zinc/98/20/64/599982064.db2.gz DVLPGGNQJSGFIB-UHFFFAOYSA-N -2 0 376.434 3.210 20 0 GGADRL Cc1ccc(N2C(=O)N[C@H](c3ccc(OCC(=O)[O-])cc3)C(C(=O)[O-])=C2C)cc1 ZINC000736750597 599983376 /nfs/dbraw/zinc/98/33/76/599983376.db2.gz KXHBHDHGOOHQNJ-LJQANCHMSA-N -2 0 396.399 3.088 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2cccc(O[C@H](C)C(=O)[O-])c2)NC(=O)N1CCC(C)C ZINC000736751010 599983389 /nfs/dbraw/zinc/98/33/89/599983389.db2.gz NPGZCUPOONDSRO-DYVFJYSZSA-N -2 0 390.436 3.010 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2cccc(O[C@@H](C)C(=O)[O-])c2)NC(=O)N1CCC(C)C ZINC000736751011 599983603 /nfs/dbraw/zinc/98/36/03/599983603.db2.gz NPGZCUPOONDSRO-GUYCJALGSA-N -2 0 390.436 3.010 20 0 GGADRL C[C@](CC(=O)Nc1cccc(CSCC(=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000736549174 599985523 /nfs/dbraw/zinc/98/55/23/599985523.db2.gz SORNIKUDFVACPV-HXUWFJFHSA-N -2 0 387.457 3.376 20 0 GGADRL Cc1cc(F)ccc1[C@H]1NC(=O)N(Cc2ccc(C(=O)[O-])cc2)C(C)=C1C(=O)[O-] ZINC000736752544 599987079 /nfs/dbraw/zinc/98/70/79/599987079.db2.gz WHYNZJYAZUHHII-GOSISDBHSA-N -2 0 398.390 3.457 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2ccc(O)c(Cl)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736750612 599987932 /nfs/dbraw/zinc/98/79/32/599987932.db2.gz LFYGGNIELAPXEY-INIZCTEOSA-N -2 0 396.827 3.116 20 0 GGADRL Cc1cc(F)ccc1[C@H]1NC(=O)N(CCCCCC(=O)[O-])C(C)=C1C(=O)[O-] ZINC000736749871 599987951 /nfs/dbraw/zinc/98/79/51/599987951.db2.gz GBURZROZZHTTAE-QGZVFWFLSA-N -2 0 378.400 3.204 20 0 GGADRL CCC1=C(C(=O)[O-])[C@H](c2ccc(F)c(F)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932795 599988344 /nfs/dbraw/zinc/98/83/44/599988344.db2.gz WQXHTBAAZJPXHL-KRWDZBQOSA-N -2 0 396.390 3.425 20 0 GGADRL CCC1=C(C(=O)[O-])[C@@H](c2ccc(F)cc2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736932721 599988359 /nfs/dbraw/zinc/98/83/59/599988359.db2.gz VILFJLYRMOAPPA-QGZVFWFLSA-N -2 0 378.400 3.286 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2ccc(F)c(F)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736749445 599988908 /nfs/dbraw/zinc/98/89/08/599988908.db2.gz BUQDVWMETVBLJK-INIZCTEOSA-N -2 0 382.363 3.035 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(F)c(F)c2)NC(=O)N1CCCCCC(=O)[O-] ZINC000736749447 599988911 /nfs/dbraw/zinc/98/89/11/599988911.db2.gz BUQDVWMETVBLJK-MRXNPFEDSA-N -2 0 382.363 3.035 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2ccc(OC(C)C)cc2)NC(=O)N1CCCCC(=O)[O-] ZINC000736750610 599988915 /nfs/dbraw/zinc/98/89/15/599988915.db2.gz LFPCGZDRLUJZEZ-SFHVURJKSA-N -2 0 390.436 3.154 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2ccc(Cl)c(F)c2)NC(=O)N1CCCCC(=O)[O-] ZINC000736751040 599988924 /nfs/dbraw/zinc/98/89/24/599988924.db2.gz ODIAGPZAMWAHMZ-OAHLLOKOSA-N -2 0 384.791 3.159 20 0 GGADRL CC1=C(C(=O)[O-])[C@H](c2ccc(Cl)c(F)c2)NC(=O)N1CCCCC(=O)[O-] ZINC000736751039 599988945 /nfs/dbraw/zinc/98/89/45/599988945.db2.gz ODIAGPZAMWAHMZ-HNNXBMFYSA-N -2 0 384.791 3.159 20 0 GGADRL CC1=C(C(=O)[O-])[C@@H](c2cccc3cccnc32)NC(=O)N1CCCCCC(=O)[O-] ZINC000736752299 599988949 /nfs/dbraw/zinc/98/89/49/599988949.db2.gz VXYMCJWUSDTYEC-LJQANCHMSA-N -2 0 397.431 3.305 20 0 GGADRL Cc1ccc([C@H]2NC(=O)N(Cc3ccc(C(=O)[O-])cc3)C(C)=C2C(=O)[O-])cc1 ZINC000736750260 599992628 /nfs/dbraw/zinc/99/26/28/599992628.db2.gz IVQBIDMJASWCHR-GOSISDBHSA-N -2 0 380.400 3.318 20 0 GGADRL Cc1ccccc1[C@H]1NC(=O)N(Cc2ccc(C(=O)[O-])cc2)C(C)=C1C(=O)[O-] ZINC000736751819 599992807 /nfs/dbraw/zinc/99/28/07/599992807.db2.gz SXRVQWFUOATURD-GOSISDBHSA-N -2 0 380.400 3.318 20 0 GGADRL COc1ccccc1[C@@H]1NC(=O)N(Cc2ccc(C(=O)[O-])cc2)C(C)=C1C(=O)[O-] ZINC000738126390 599993178 /nfs/dbraw/zinc/99/31/78/599993178.db2.gz FBPGCQVOLBUOIM-SFHVURJKSA-N -2 0 396.399 3.019 20 0 GGADRL CCC1=C(C(=O)[O-])[C@@H](c2cccs2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736932200 600004730 /nfs/dbraw/zinc/00/47/30/600004730.db2.gz MZCOGTFHZMFNDE-MRXNPFEDSA-N -2 0 386.429 3.462 20 0 GGADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000511710923 600006505 /nfs/dbraw/zinc/00/65/05/600006505.db2.gz ARKDTRRAKBFRDN-UHFFFAOYSA-N -2 0 391.323 3.093 20 0 GGADRL Cc1nc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2C(=O)[O-])cn1C ZINC000547909073 600023080 /nfs/dbraw/zinc/02/30/80/600023080.db2.gz DWCQNTLMQDKRRS-UHFFFAOYSA-N -2 0 387.417 3.020 20 0 GGADRL COc1ccc2nc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)sc2c1 ZINC000393007843 600049191 /nfs/dbraw/zinc/04/91/91/600049191.db2.gz SAUSEZYRVDRDFM-UHFFFAOYSA-N -2 0 378.431 3.112 20 0 GGADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000327046060 600051348 /nfs/dbraw/zinc/05/13/48/600051348.db2.gz HVSBGXQZGZGNHJ-UHFFFAOYSA-N -2 0 378.387 3.309 20 0 GGADRL COC(=O)c1ccccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000737711361 600051602 /nfs/dbraw/zinc/05/16/02/600051602.db2.gz GADSFEWMJPPBAN-UHFFFAOYSA-N -2 0 391.426 3.187 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000738347572 600051673 /nfs/dbraw/zinc/05/16/73/600051673.db2.gz OAQJBIKWKMLXKF-UHFFFAOYSA-N -2 0 394.474 3.106 20 0 GGADRL COc1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc1OC ZINC000738037894 600051645 /nfs/dbraw/zinc/05/16/45/600051645.db2.gz ANZXVPVOZGYZLX-UHFFFAOYSA-N -2 0 393.442 3.418 20 0 GGADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000737723244 600051748 /nfs/dbraw/zinc/05/17/48/600051748.db2.gz HKYXKTVBQNEQNJ-UHFFFAOYSA-N -2 0 397.455 3.248 20 0 GGADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nc3c(s2)C(=O)CC(C)(C)C3)c1C(=O)[O-] ZINC000738969267 600052431 /nfs/dbraw/zinc/05/24/31/600052431.db2.gz LAUKJVQSAPMFJS-UHFFFAOYSA-N -2 0 398.462 3.007 20 0 GGADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000740155822 600052510 /nfs/dbraw/zinc/05/25/10/600052510.db2.gz VLDWOSVTKISZRA-UHFFFAOYSA-N -3 0 377.399 3.099 20 0 GGADRL N#Cc1cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])ccc1F ZINC000327060076 600052703 /nfs/dbraw/zinc/05/27/03/600052703.db2.gz JQZABZVXWIKIHQ-UHFFFAOYSA-N -2 0 376.390 3.411 20 0 GGADRL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000738345105 600053093 /nfs/dbraw/zinc/05/30/93/600053093.db2.gz HILOSGYLMUNQCB-UHFFFAOYSA-N -3 0 391.426 3.407 20 0 GGADRL O=C([O-])c1sc2ccccc2c1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000740280143 600053957 /nfs/dbraw/zinc/05/39/57/600053957.db2.gz IWBQDIJJSDZOEU-UHFFFAOYSA-N -3 0 395.389 3.238 20 0 GGADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000736196876 600054000 /nfs/dbraw/zinc/05/40/00/600054000.db2.gz 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UTVYRGAHUYBIJJ-UHFFFAOYSA-N -2 0 381.372 3.035 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2nc3c(ccc4ccccc34)s2)cc1C(=O)[O-] ZINC000833055183 600808437 /nfs/dbraw/zinc/80/84/37/600808437.db2.gz BNTCWVKXZJBXNI-UHFFFAOYSA-N -2 0 387.442 3.287 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2SC(F)(F)F)cc1C(=O)[O-] ZINC000325122481 600811011 /nfs/dbraw/zinc/81/10/11/600811011.db2.gz XNXIPKLXADVVRO-UHFFFAOYSA-N -2 0 380.369 3.136 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2Oc2cccc(F)c2)cc1C(=O)[O-] ZINC000516024797 600813407 /nfs/dbraw/zinc/81/34/07/600813407.db2.gz XPZFZOAHGHWXLQ-UHFFFAOYSA-N -2 0 390.392 3.456 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC(=O)N(C)C)cc1C(=O)[O-] ZINC000057785069 600814100 /nfs/dbraw/zinc/81/41/00/600814100.db2.gz SLFRZSGWJNLUAX-UHFFFAOYSA-N -2 0 394.474 3.268 20 0 GGADRL O=C([O-])C[C@@H](NC(=O)c1nn(-c2ccccc2)cc1[O-])c1cccc(Cl)c1 ZINC000833200056 600814181 /nfs/dbraw/zinc/81/41/81/600814181.db2.gz GIXLAOUXLGZGGX-OAHLLOKOSA-N -2 0 385.807 3.177 20 0 GGADRL Cn1cc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3[nH]2)cc1C(=O)[O-] ZINC000522019578 600816312 /nfs/dbraw/zinc/81/63/12/600816312.db2.gz APGQGXVBJGJZPE-UHFFFAOYSA-N -2 0 396.428 3.067 20 0 GGADRL CCOCCOCc1cccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C ZINC000266760197 600817548 /nfs/dbraw/zinc/81/75/48/600817548.db2.gz VOFXXWKEFVODIL-UHFFFAOYSA-N -2 0 399.490 3.109 20 0 GGADRL CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000266681586 600817629 /nfs/dbraw/zinc/81/76/29/600817629.db2.gz ASVWNXNCXJWOKK-UHFFFAOYSA-N -2 0 399.490 3.109 20 0 GGADRL CCOCCOCc1cccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1C ZINC000830016996 600817908 /nfs/dbraw/zinc/81/79/08/600817908.db2.gz GBQLXMUXYHKUJX-UHFFFAOYSA-N -2 0 399.490 3.109 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000832956724 600828391 /nfs/dbraw/zinc/82/83/91/600828391.db2.gz XOZAFTCZXLMCTE-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL O=C([O-])COc1ccc(/C=C/c2ccc(C(=O)[O-])cn2)cc1Br ZINC000833253967 600829194 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383.809 3.154 20 0 GGADRL O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)ccc12 ZINC000740075318 600893605 /nfs/dbraw/zinc/89/36/05/600893605.db2.gz JYPAUQGBPOCGEH-UHFFFAOYSA-N -2 0 394.792 3.019 20 0 GGADRL CC(C)COc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000736448129 600894357 /nfs/dbraw/zinc/89/43/57/600894357.db2.gz HINRCCCMYAHDCB-UHFFFAOYSA-N -2 0 384.841 3.269 20 0 GGADRL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)nn1 ZINC000607616158 600897321 /nfs/dbraw/zinc/89/73/21/600897321.db2.gz CMVWLUZQKMDRHJ-UHFFFAOYSA-N -2 0 391.430 3.138 20 0 GGADRL CCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(OC)c2OC)cc1 ZINC000467324265 600897668 /nfs/dbraw/zinc/89/76/68/600897668.db2.gz XBWRZGSHTFOUQT-UHFFFAOYSA-N -2 0 379.434 3.155 20 0 GGADRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1OC ZINC000467299617 600898798 /nfs/dbraw/zinc/89/87/98/600898798.db2.gz LHSFFKPIOZLZBG-UHFFFAOYSA-N -2 0 387.413 3.356 20 0 GGADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(COCc3ccccc3)cc2)o1 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376.253 3.318 20 0 GGADRL Cc1sc([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)c(C(=O)[O-])c1C ZINC000833758169 605022681 /nfs/dbraw/zinc/02/26/81/605022681.db2.gz PUBDTPJNPYSVDH-UHFFFAOYSA-N -2 0 385.854 3.165 20 0 GGADRL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2cccc3ccsc32)c1 ZINC000833714351 605052408 /nfs/dbraw/zinc/05/24/08/605052408.db2.gz DPXWQQLDIWRTIR-UHFFFAOYSA-N -2 0 391.426 3.187 20 0 GGADRL CCC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000833648830 605055123 /nfs/dbraw/zinc/05/51/23/605055123.db2.gz XVDVBDDPNFIBJW-CYBMUJFWSA-N -2 0 395.399 3.281 20 0 GGADRL CC(C)Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000833494410 605115182 /nfs/dbraw/zinc/11/51/82/605115182.db2.gz PPBHFUMNNSOIKC-UHFFFAOYSA-N -2 0 395.502 3.083 20 0 GGADRL CC(C)(Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833461501 605117911 /nfs/dbraw/zinc/11/79/11/605117911.db2.gz AQEUDDKHSZJJAK-UHFFFAOYSA-N -2 0 395.864 3.112 20 0 GGADRL 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ZINC000833758395 605303108 /nfs/dbraw/zinc/30/31/08/605303108.db2.gz VQDFQPVAOYPBDX-UHFFFAOYSA-N -2 0 377.447 3.050 20 0 GGADRL CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1F ZINC000833505806 605331544 /nfs/dbraw/zinc/33/15/44/605331544.db2.gz SYQWXNVCKOFDHM-UHFFFAOYSA-N -2 0 377.390 3.313 20 0 GGADRL Cc1cc([C@@H]2NC(=O)N(CCCCC(=O)[O-])C(C)=C2C(=O)[O-])cc2cccnc12 ZINC000833575436 605340153 /nfs/dbraw/zinc/34/01/53/605340153.db2.gz BHVPPHFWVOHQOV-IBGZPJMESA-N -2 0 397.431 3.223 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc(OC)c1C(C)C ZINC000833729798 605422063 /nfs/dbraw/zinc/42/20/63/605422063.db2.gz OZVLAARKQVAGMG-UHFFFAOYSA-N -2 0 385.463 3.388 20 0 GGADRL CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])c2C1 ZINC000833487274 605447069 /nfs/dbraw/zinc/44/70/69/605447069.db2.gz HXJLDBHPQDQZKU-UHFFFAOYSA-N -2 0 392.452 3.296 20 0 GGADRL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)CC(C)(C)C1 ZINC000833588564 605705206 /nfs/dbraw/zinc/70/52/06/605705206.db2.gz GDVVXUKYXUGVOV-MNOVXSKESA-N -2 0 387.885 3.306 20 0 GGADRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000054294744 1406685192 /nfs/dbraw/zinc/68/51/92/1406685192.db2.gz GZAYGFRSZCLVOY-UHFFFAOYSA-N -2 0 389.351 3.142 20 0 GGADRL CN(c1ccc2ccccc2c1)S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000054796060 1406826320 /nfs/dbraw/zinc/82/63/20/1406826320.db2.gz ZXRAVYJGOJLBCS-UHFFFAOYSA-N -2 0 385.397 3.061 20 0 GGADRL COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000055546106 1406996882 /nfs/dbraw/zinc/99/68/82/1406996882.db2.gz NMMQRTXTJQDFAV-UHFFFAOYSA-N -2 0 394.405 3.226 20 0 GGADRL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)cc1 ZINC000013278884 1399077741 /nfs/dbraw/zinc/07/77/41/1399077741.db2.gz DRNJYXUHQAVDLR-UHFFFAOYSA-N -2 0 395.458 3.084 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)NC(C)C)cc2)sc1C(=O)[O-] ZINC000055581486 1407011348 /nfs/dbraw/zinc/01/13/48/1407011348.db2.gz LSKBXEHKPIRNON-UHFFFAOYSA-N -2 0 397.478 3.085 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)sc1C(=O)[O-] ZINC000055585985 1407013370 /nfs/dbraw/zinc/01/33/70/1407013370.db2.gz HVTNHXFRWWLIIW-UHFFFAOYSA-N -2 0 391.430 3.138 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)sc1C(=O)[O-] ZINC000055592072 1407017024 /nfs/dbraw/zinc/01/70/24/1407017024.db2.gz FKAMWMDTUQYGNX-UHFFFAOYSA-N -2 0 396.490 3.458 20 0 GGADRL CCC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000042792376 1400416460 /nfs/dbraw/zinc/41/64/60/1400416460.db2.gz WXJQVTBNKWJUKD-UHFFFAOYSA-N -2 0 396.852 3.496 20 0 GGADRL CCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000045774678 1404200376 /nfs/dbraw/zinc/20/03/76/1404200376.db2.gz YBNRHHNNSRITEH-UHFFFAOYSA-N -2 0 383.447 3.122 20 0 GGADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c(OC)cc1Cl ZINC000045946322 1404249614 /nfs/dbraw/zinc/24/96/14/1404249614.db2.gz GCIMCFIGHVSEMH-UHFFFAOYSA-N -2 0 399.852 3.473 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1NC(C)=O ZINC000058495076 1407836842 /nfs/dbraw/zinc/83/68/42/1407836842.db2.gz WATDMNGQOHJCDG-UHFFFAOYSA-N -2 0 396.852 3.360 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(OC)c(Cl)cc1OC ZINC000058518510 1407839779 /nfs/dbraw/zinc/83/97/79/1407839779.db2.gz OOFOLLHFMNASHR-UHFFFAOYSA-N -2 0 399.852 3.419 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c(C(=O)[O-])c1 ZINC000060362451 1407961002 /nfs/dbraw/zinc/96/10/02/1407961002.db2.gz UMELHJUBZJJXJT-UHFFFAOYSA-N -2 0 387.413 3.356 20 0 GGADRL COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c(C(=O)[O-])c1 ZINC000060362409 1407961107 /nfs/dbraw/zinc/96/11/07/1407961107.db2.gz UUMXMYOIRIHEEA-UHFFFAOYSA-N -2 0 391.445 3.082 20 0 GGADRL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000060367166 1407962251 /nfs/dbraw/zinc/96/22/51/1407962251.db2.gz ZPGPDNMAWMWUGE-UHFFFAOYSA-N -2 0 392.723 3.025 20 0 GGADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060442085 1407978236 /nfs/dbraw/zinc/97/82/36/1407978236.db2.gz NRRDRILGYYKQKN-UHFFFAOYSA-N -2 0 396.446 3.433 20 0 GGADRL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)c(C(=O)OC)c1 ZINC000060839470 1408040418 /nfs/dbraw/zinc/04/04/18/1408040418.db2.gz KGLJVNXKGHFKJF-UHFFFAOYSA-N -2 0 391.445 3.097 20 0 GGADRL CC(C)(C)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cn1 ZINC000063877936 1408436129 /nfs/dbraw/zinc/43/61/29/1408436129.db2.gz YYMVLCHVWNSATL-UHFFFAOYSA-N -2 0 387.820 3.066 20 0 GGADRL Cc1c2cccc(C)c2oc1C(=O)N[N-]C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000065043492 1408638784 /nfs/dbraw/zinc/63/87/84/1408638784.db2.gz RZCIXRWXBFHAPO-UHFFFAOYSA-N -2 0 390.399 3.016 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2cccc3ccc(C)nc32)cc1C(=O)[O-] ZINC000066235484 1408793331 /nfs/dbraw/zinc/79/33/31/1408793331.db2.gz WQHUPYDUJHZKBS-UHFFFAOYSA-N -2 0 386.429 3.441 20 0 GGADRL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc(C(F)(F)F)c1 ZINC000067124878 1409014606 /nfs/dbraw/zinc/01/46/06/1409014606.db2.gz VGBVCQVDHAJDTF-UHFFFAOYSA-N -2 0 380.731 3.253 20 0 GGADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1NC(C)=O ZINC000068077084 1409293680 /nfs/dbraw/zinc/29/36/80/1409293680.db2.gz HXCYEUGLNWXCIW-UHFFFAOYSA-N -2 0 376.434 3.015 20 0 GGADRL C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)c1)C(=O)[O-] ZINC000068726395 1409480316 /nfs/dbraw/zinc/48/03/16/1409480316.db2.gz VVZMUMYCDAPFQY-DNGMOHDESA-N -2 0 384.384 3.288 20 0 GGADRL C[C@@H](Oc1cccc(C(=O)/C=C/c2cccc(O[C@@H](C)C(=O)[O-])c2)c1)C(=O)[O-] ZINC000069622060 1409665724 /nfs/dbraw/zinc/66/57/24/1409665724.db2.gz ZTGZYGODNBYWCA-XACNLCELSA-N -2 0 384.384 3.287 20 0 GGADRL C[C@@H](Oc1cccc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)c1)C(=O)[O-] ZINC000069622070 1409665916 /nfs/dbraw/zinc/66/59/16/1409665916.db2.gz HVUFHYQJPPAQJO-MYSGNRETSA-N -2 0 384.384 3.288 20 0 GGADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000078789995 1409937097 /nfs/dbraw/zinc/93/70/97/1409937097.db2.gz ZWYAXBCSYLKVRW-UHFFFAOYSA-N -2 0 385.445 3.297 20 0 GGADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1 ZINC000095469619 1410313512 /nfs/dbraw/zinc/31/35/12/1410313512.db2.gz IZSXNPQEHVTPPA-UHFFFAOYSA-N -2 0 389.351 3.403 20 0 GGADRL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1 ZINC000096925787 1410337776 /nfs/dbraw/zinc/33/77/76/1410337776.db2.gz VGDDPOFZOCALJA-YFHOEESVSA-N -2 0 387.335 3.484 20 0 GGADRL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000120317063 1413782542 /nfs/dbraw/zinc/78/25/42/1413782542.db2.gz RKLDZQRNHOHZDF-UHFFFAOYSA-N -2 0 391.371 3.057 20 0 GGADRL O=S(=O)([N-]c1ncc(-c2nn[n-]n2)s1)c1ccc(C2CCCCC2)cc1 ZINC000823589025 1428762270 /nfs/dbraw/zinc/76/22/70/1428762270.db2.gz IRNZCHBSHPPKGN-UHFFFAOYSA-N -2 0 390.494 3.172 20 0 GGADRL COc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1C(C)C ZINC000432760592 1428785131 /nfs/dbraw/zinc/78/51/31/1428785131.db2.gz OOGYSSVLFYXESZ-UHFFFAOYSA-N -2 0 387.465 3.108 20 0 GGADRL O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000823382646 1428992568 /nfs/dbraw/zinc/99/25/68/1428992568.db2.gz BSQCPCRARRKFNY-UHFFFAOYSA-N -2 0 389.853 3.352 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3Cl)n2)cc1C(=O)[O-] ZINC000130405350 1416372701 /nfs/dbraw/zinc/37/27/01/1416372701.db2.gz NIOTURTYWVSEMR-UHFFFAOYSA-N -2 0 391.836 3.333 20 0 GGADRL Cc1ccc(-c2csc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000822214274 1429142502 /nfs/dbraw/zinc/14/25/02/1429142502.db2.gz XJRHCOVKOBWFLQ-UHFFFAOYSA-N -2 0 376.445 3.480 20 0 GGADRL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1 ZINC000134617739 1417097708 /nfs/dbraw/zinc/09/77/08/1417097708.db2.gz QUVSUHFYSWUEFX-UHFFFAOYSA-N -2 0 399.472 3.140 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cnn1CCC(C)C ZINC000137791398 1417394890 /nfs/dbraw/zinc/39/48/90/1417394890.db2.gz RNLKWWXSRFDJCG-UHFFFAOYSA-N -2 0 379.482 3.353 20 0 GGADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)ccc1Cl ZINC000179544901 1429422180 /nfs/dbraw/zinc/42/21/80/1429422180.db2.gz HPNSTFKWDQCJJA-UHFFFAOYSA-N -2 0 380.731 3.253 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2C)sc1C(=O)[O-] ZINC000152626957 1422175999 /nfs/dbraw/zinc/17/59/99/1422175999.db2.gz MKZBAKKZADTTMW-UHFFFAOYSA-N -2 0 395.437 3.189 20 0 GGADRL O=S(=O)([N-]c1ccccc1CCC(F)(F)F)c1ccccc1-c1nn[n-]n1 ZINC000823588989 1423345727 /nfs/dbraw/zinc/34/57/27/1423345727.db2.gz GYXIZAIFOJROJE-UHFFFAOYSA-N -2 0 397.382 3.162 20 0 GGADRL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000155529863 1423402825 /nfs/dbraw/zinc/40/28/25/1423402825.db2.gz LXOOOYRTDYSJEO-UHFFFAOYSA-N -2 0 375.233 3.323 20 0 GGADRL CC(C)c1ccc(-n2cc([O-])c(C(=O)N(CC(=O)[O-])c3ccccc3)n2)cc1 ZINC000156233900 1423737712 /nfs/dbraw/zinc/73/77/12/1423737712.db2.gz REGNLVWCSPXCJO-UHFFFAOYSA-N -2 0 379.416 3.433 20 0 GGADRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1 ZINC000156300017 1423764833 /nfs/dbraw/zinc/76/48/33/1423764833.db2.gz OIKWTWHZTHEPPP-UHFFFAOYSA-N -2 0 376.365 3.288 20 0 GGADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000156331397 1423784061 /nfs/dbraw/zinc/78/40/61/1423784061.db2.gz UUVVILONWFSATK-UHFFFAOYSA-N -2 0 385.445 3.297 20 0 GGADRL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000156331264 1423784172 /nfs/dbraw/zinc/78/41/72/1423784172.db2.gz UGXXZSBNNGYMNY-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL Cc1c([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cnn1-c1ccccc1 ZINC000156369074 1423800510 /nfs/dbraw/zinc/80/05/10/1423800510.db2.gz HHKWOGZTZOTJQS-UHFFFAOYSA-N -2 0 389.408 3.127 20 0 GGADRL O=C([O-])[C@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)[O-] ZINC000156530406 1423823699 /nfs/dbraw/zinc/82/36/99/1423823699.db2.gz CMQYHPKIFARILQ-ZWKOTPCHSA-N -2 0 395.411 3.043 20 0 GGADRL O=C([O-])[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000156530648 1423823935 /nfs/dbraw/zinc/82/39/35/1423823935.db2.gz CMQYHPKIFARILQ-ROUUACIJSA-N -2 0 395.411 3.043 20 0 GGADRL Cc1ccc(-c2csc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)n2)s1 ZINC000157163664 1423942191 /nfs/dbraw/zinc/94/21/91/1423942191.db2.gz HPSWHOKMEVLFEW-UHFFFAOYSA-N -2 0 399.457 3.078 20 0 GGADRL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000737390606 1424156769 /nfs/dbraw/zinc/15/67/69/1424156769.db2.gz RUECAUGQJFHRHQ-UHFFFAOYSA-N -2 0 397.382 3.303 20 0 GGADRL Cc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)cc2s1 ZINC000159950095 1424555607 /nfs/dbraw/zinc/55/56/07/1424555607.db2.gz IBRMYZOPJFMDHF-UHFFFAOYSA-N -2 0 384.385 3.382 20 0 GGADRL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CC(F)(F)F)n1 ZINC000160251590 1424590544 /nfs/dbraw/zinc/59/05/44/1424590544.db2.gz JBRPJAHVFGIOBS-UHFFFAOYSA-N -2 0 391.371 3.068 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccsc2)c1Br ZINC000161080112 1424657356 /nfs/dbraw/zinc/65/73/56/1424657356.db2.gz BNNNALMXUMZAOB-UHFFFAOYSA-N -2 0 376.253 3.318 20 0 GGADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000165995756 1425204702 /nfs/dbraw/zinc/20/47/02/1425204702.db2.gz ZBTBPOSTOLNCKV-UHFFFAOYSA-N -2 0 380.853 3.421 20 0 GGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)o1 ZINC000826292834 1425645061 /nfs/dbraw/zinc/64/50/61/1425645061.db2.gz NXSQRXFICYOBKC-UHFFFAOYSA-N -2 0 397.416 3.361 20 0 GGADRL CCCSc1nsc([N-]C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000821138888 1425943980 /nfs/dbraw/zinc/94/39/80/1425943980.db2.gz JITXBPMEDIQQDE-SECBINFHSA-N -2 0 390.498 3.103 20 0 GGADRL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1C ZINC000822221138 1425969783 /nfs/dbraw/zinc/96/97/83/1425969783.db2.gz BZPMGJGGXBRQSO-UHFFFAOYSA-N -2 0 387.396 3.170 20 0 GGADRL CCn1c(=O)c2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc2[n-]c1=S ZINC000172356225 1426012901 /nfs/dbraw/zinc/01/29/01/1426012901.db2.gz RDIQSOVFABFGTA-UHFFFAOYSA-N -2 0 375.837 3.316 20 0 GGADRL Cc1ccc(-c2nsc([N-]C(=O)c3sccc3-c3nn[n-]n3)n2)s1 ZINC000737303699 1426056555 /nfs/dbraw/zinc/05/65/55/1426056555.db2.gz NEHHNGJOUMNTBK-UHFFFAOYSA-N -2 0 375.464 3.069 20 0 GGADRL C[C@H](NC(=O)C(F)(F)c1c(F)cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824470605 1426302105 /nfs/dbraw/zinc/30/21/05/1426302105.db2.gz JYLMQKUXSUMVMO-VIFPVBQESA-N -2 0 379.317 3.114 20 0 GGADRL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736490278 1426520188 /nfs/dbraw/zinc/52/01/88/1426520188.db2.gz JYTCOVSMYYYLQN-UHFFFAOYSA-N -2 0 387.465 3.073 20 0 GGADRL O=C(Nc1cc(-c2nnn[n-]2)ccc1O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000826451168 1426873178 /nfs/dbraw/zinc/87/31/78/1426873178.db2.gz SYMYGCGEJDPHJF-SFHVURJKSA-N -2 0 379.420 3.211 20 0 GGADRL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000824753607 1427073434 /nfs/dbraw/zinc/07/34/34/1427073434.db2.gz FMPFPYOPERDPDQ-MRVPVSSYSA-N -2 0 394.218 3.285 20 0 GGADRL Cc1ccsc1-c1nnc([N-]C(=O)CSc2ccccc2-c2nn[n-]n2)o1 ZINC000822378988 1427583741 /nfs/dbraw/zinc/58/37/41/1427583741.db2.gz IRODVLIYYIZLHL-UHFFFAOYSA-N -2 0 399.461 3.017 20 0 GGADRL CC(C)(C)c1cnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000819965846 1427604949 /nfs/dbraw/zinc/60/49/49/1427604949.db2.gz PFSGHCSYFSMRED-UHFFFAOYSA-N -2 0 398.901 3.075 20 0 GGADRL O=C(Nc1cc(-c2nnn[n-]2)ccc1O)c1csc(Cc2cccc(F)c2)n1 ZINC000826451285 1427615670 /nfs/dbraw/zinc/61/56/70/1427615670.db2.gz ZCFZRWGYOXESNB-UHFFFAOYSA-N -2 0 396.407 3.011 20 0 GGADRL C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824516682 1427775036 /nfs/dbraw/zinc/77/50/36/1427775036.db2.gz YJJCWPQOGHNOFW-VIFPVBQESA-N -2 0 377.326 3.082 20 0 GGADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)[N-]N3Cc4ccccc4C3=O)n2)c1 ZINC000180361697 1429846571 /nfs/dbraw/zinc/84/65/71/1429846571.db2.gz OLYKUCJDYDSOMG-UHFFFAOYSA-N -2 0 376.416 3.002 20 0 GGADRL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c1 ZINC000181671919 1430339173 /nfs/dbraw/zinc/33/91/73/1430339173.db2.gz QKTCIJDKYLKQDN-UHFFFAOYSA-N -2 0 385.241 3.020 20 0 GGADRL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000181707529 1430344635 /nfs/dbraw/zinc/34/46/35/1430344635.db2.gz YHLOGDMWQSAJKG-UHFFFAOYSA-N -2 0 390.465 3.136 20 0 GGADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1 ZINC000181727720 1430348555 /nfs/dbraw/zinc/34/85/55/1430348555.db2.gz QCHCFWPGOVYVND-UHFFFAOYSA-N -2 0 385.241 3.020 20 0 GGADRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000181773472 1430356661 /nfs/dbraw/zinc/35/66/61/1430356661.db2.gz PNOONTSLDBSGBH-CQSZACIVSA-N -2 0 385.445 3.251 20 0 GGADRL CCCNc1ccc(Cl)cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000182448653 1430469366 /nfs/dbraw/zinc/46/93/66/1430469366.db2.gz SXBBHNNTRCXVRN-UHFFFAOYSA-N -2 0 387.827 3.060 20 0 GGADRL Cc1cc(-c2ncccc2NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)cs1 ZINC000186894338 1431557573 /nfs/dbraw/zinc/55/75/73/1431557573.db2.gz QSFFKHHNRBIDIQ-UHFFFAOYSA-N -2 0 393.428 3.016 20 0 GGADRL Cc1cc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)cc(C(=O)[O-])c1Cl ZINC000187716898 1431803513 /nfs/dbraw/zinc/80/35/13/1431803513.db2.gz IRUWXGBAPSCESE-SNVBAGLBSA-N -2 0 383.857 3.315 20 0 GGADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)c1Cl ZINC000187719159 1431803616 /nfs/dbraw/zinc/80/36/16/1431803616.db2.gz XJTSIMMGNRPALW-SNVBAGLBSA-N -2 0 383.857 3.315 20 0 GGADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)c(C)c1CC(=O)[O-] ZINC000187737782 1431806143 /nfs/dbraw/zinc/80/61/43/1431806143.db2.gz JIHNMSSHPPXDHD-AWEZNQCLSA-N -2 0 391.493 3.207 20 0 GGADRL Cc1ccc(F)c(-c2cc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)n[nH]2)c1 ZINC000188532239 1431892405 /nfs/dbraw/zinc/89/24/05/1431892405.db2.gz ORPMFNBTYWSGGD-UHFFFAOYSA-N -2 0 393.371 3.162 20 0 GGADRL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)cnn1-c1cccc(C)c1 ZINC000189460760 1432119245 /nfs/dbraw/zinc/11/92/45/1432119245.db2.gz RNVFOBUAMBEGNT-UHFFFAOYSA-N -2 0 389.433 3.144 20 0 GGADRL CCN(CCNC(=O)c1ccc([O-])c(Cl)c1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000189643071 1432188726 /nfs/dbraw/zinc/18/87/26/1432188726.db2.gz XRUHFGFVILLGRI-UHFFFAOYSA-N -2 0 397.258 3.297 20 0 GGADRL Cn1ccc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3Cl)c21 ZINC000190851434 1432507513 /nfs/dbraw/zinc/50/75/13/1432507513.db2.gz WFKJIFWXRAFPHZ-UHFFFAOYSA-N -2 0 382.800 3.470 20 0 GGADRL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1OC ZINC000270464215 1434735559 /nfs/dbraw/zinc/73/55/59/1434735559.db2.gz XPOOGNXWXPWBGT-UHFFFAOYSA-N -2 0 397.424 3.051 20 0 GGADRL CCn1cc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)cc1C(=O)[O-] ZINC000271075949 1434800580 /nfs/dbraw/zinc/80/05/80/1434800580.db2.gz PRSSZWKOPNJLNF-LBPRGKRZSA-N -2 0 393.490 3.259 20 0 GGADRL CCn1nc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1C1CC1 ZINC000272776481 1434930392 /nfs/dbraw/zinc/93/03/92/1434930392.db2.gz WYEGLTUYSBDUBJ-UHFFFAOYSA-N -2 0 391.493 3.134 20 0 GGADRL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2SCCC(=O)[O-])c1C ZINC000274880463 1435100628 /nfs/dbraw/zinc/10/06/28/1435100628.db2.gz CPWPAVREEHUJMJ-UHFFFAOYSA-N -2 0 397.522 3.196 20 0 GGADRL C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000277559006 1435312744 /nfs/dbraw/zinc/31/27/44/1435312744.db2.gz RMDAWTDHFZEARJ-OIBJUYFYSA-N -2 0 393.305 3.091 20 0 GGADRL C[C@H](NC(=O)c1c([O-])cc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820384903 1441420954 /nfs/dbraw/zinc/42/09/54/1441420954.db2.gz MTFDCYDKBLPITC-QMMMGPOBSA-N -2 0 378.219 3.370 20 0 GGADRL CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000821123068 1441468175 /nfs/dbraw/zinc/46/81/75/1441468175.db2.gz JTYCRBTVTDUOFB-UHFFFAOYSA-N -2 0 395.448 3.371 20 0 GGADRL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000824737518 1441619305 /nfs/dbraw/zinc/61/93/05/1441619305.db2.gz HPVHAZQZELFHBL-NSHDSACASA-N -2 0 399.480 3.172 20 0 GGADRL CSc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826230660 1441677689 /nfs/dbraw/zinc/67/76/89/1441677689.db2.gz DNJRVBXLQJWZMD-UHFFFAOYSA-N -2 0 381.870 3.043 20 0 GGADRL O=C(Cc1cccc(-c2nnn[n-]2)c1)[N-]c1nc(Sc2ccccc2)ns1 ZINC000823107623 1442268503 /nfs/dbraw/zinc/26/85/03/1442268503.db2.gz BVCWKMPAMLOBMG-UHFFFAOYSA-N -2 0 395.473 3.051 20 0 GGADRL O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823383120 1443335605 /nfs/dbraw/zinc/33/56/05/1443335605.db2.gz LYFOYFUPANVGEC-UHFFFAOYSA-N -2 0 389.853 3.352 20 0 GGADRL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c2ccccc12 ZINC000825643937 1443386844 /nfs/dbraw/zinc/38/68/44/1443386844.db2.gz XIOXHDIYMBVYPQ-UHFFFAOYSA-N -2 0 395.444 3.219 20 0 GGADRL O=C(NCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(-c2ccccc2)ns1 ZINC000823246646 1443387399 /nfs/dbraw/zinc/38/73/99/1443387399.db2.gz YRPMAHDZUMMPTR-UHFFFAOYSA-N -2 0 377.433 3.312 20 0 GGADRL CC(C)(C)c1nnc([N-]C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)s1 ZINC000735655411 1443829209 /nfs/dbraw/zinc/82/92/09/1443829209.db2.gz OFEGNQYAOQEUBB-UHFFFAOYSA-N -2 0 398.496 3.212 20 0 GGADRL O=C(Nc1cccc(O)c1F)c1ccc(COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826456914 1446863676 /nfs/dbraw/zinc/86/36/76/1446863676.db2.gz DQGQIZIWRLNVJZ-UHFFFAOYSA-N -2 0 395.350 3.136 20 0 GGADRL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000736488904 1447160880 /nfs/dbraw/zinc/16/08/80/1447160880.db2.gz TWQHTSRCNRXBJY-UHFFFAOYSA-N -2 0 392.872 3.143 20 0 GGADRL CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000735734268 1447293593 /nfs/dbraw/zinc/29/35/93/1447293593.db2.gz GGHNQTCYMIVEHN-MRXNPFEDSA-N -2 0 387.827 3.268 20 0 GGADRL O=C([N-]c1nnc(CC2CCCCC2)s1)c1cc(-c2nn[n-]n2)cs1 ZINC000823382662 1449453340 /nfs/dbraw/zinc/45/33/40/1449453340.db2.gz CHEGZLKHDQOMDZ-UHFFFAOYSA-N -2 0 375.483 3.155 20 0 GGADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)c1Cl ZINC000826303974 1449474041 /nfs/dbraw/zinc/47/40/41/1449474041.db2.gz PNRMQLHWOWQKGK-UHFFFAOYSA-N -2 0 384.248 3.283 20 0 GGADRL CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000735904379 1449551338 /nfs/dbraw/zinc/55/13/38/1449551338.db2.gz NFTJLXDEFKCBEK-UHFFFAOYSA-N -2 0 393.856 3.108 20 0 GGADRL CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824352819 1449586278 /nfs/dbraw/zinc/58/62/78/1449586278.db2.gz PCUTWGNZVACDJG-UHFFFAOYSA-N -2 0 377.857 3.444 20 0 GGADRL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(CC)s1 ZINC000736487527 1449644753 /nfs/dbraw/zinc/64/47/53/1449644753.db2.gz HHSTVNIUWPRBGA-UHFFFAOYSA-N -2 0 392.510 3.113 20 0 GGADRL CSc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1C ZINC000826230616 1449705720 /nfs/dbraw/zinc/70/57/20/1449705720.db2.gz BMJWVUCRGKDTNP-UHFFFAOYSA-N -2 0 375.479 3.006 20 0 GGADRL CCOc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)ccc1C ZINC000825616113 1450206380 /nfs/dbraw/zinc/20/63/80/1450206380.db2.gz WYRAVMOSBVKRHF-UHFFFAOYSA-N -2 0 393.856 3.028 20 0 GGADRL