smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000035085613 539979013 /nfs/dbraw/zinc/97/90/13/539979013.db2.gz PKCZGTFDLUPNAR-SSDOTTSWSA-N -2 3 356.263 2.432 20 0 FEADHL Cc1c2ccccc2oc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000057268510 540783639 /nfs/dbraw/zinc/78/36/39/540783639.db2.gz QSLSESUZWQNKED-UHFFFAOYSA-N -2 3 352.397 2.217 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)cc1 ZINC000057786430 540815344 /nfs/dbraw/zinc/81/53/44/540815344.db2.gz XPDGQYYFWFLSFU-UHFFFAOYSA-N -2 3 374.378 2.066 20 0 FEADHL CCSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000071091909 541763414 /nfs/dbraw/zinc/76/34/14/541763414.db2.gz KJBNQBAFGJTRBF-UHFFFAOYSA-N -2 3 362.432 2.483 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cccc2ncccc21 ZINC000103059393 543089401 /nfs/dbraw/zinc/08/94/01/543089401.db2.gz QOQKQQYQINQQMT-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=c1[nH]c2cc(Cl)c(S(=O)(=O)[N-]c3cccc([O-])c3F)cc2o1 ZINC000131508224 544192827 /nfs/dbraw/zinc/19/28/27/544192827.db2.gz PIYOJYFOKRSWOT-UHFFFAOYSA-N -2 3 358.734 2.420 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCSC2)c(Cl)cc1F ZINC000273714452 329885723 /nfs/dbraw/zinc/88/57/23/329885723.db2.gz LOYBYBQKJKKXGO-ZETCQYMHSA-N -2 3 353.824 2.351 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-][C@H](CCc1ccccc1)C(=O)[O-] ZINC000274911824 329992097 /nfs/dbraw/zinc/99/20/97/329992097.db2.gz KYLPTXFTAUQAJP-GFCCVEGCSA-N -2 3 355.437 2.121 20 0 FEADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3C=C[C@@H](C(=O)[O-])C3)s2)cs1 ZINC000274927276 329993417 /nfs/dbraw/zinc/99/34/17/329993417.db2.gz BUUYHGLVKIJIMY-NXEZZACHSA-N -2 3 370.477 2.488 20 0 FEADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000275006609 330001395 /nfs/dbraw/zinc/00/13/95/330001395.db2.gz MPHDJWJSRNGCNY-CBAPKCEASA-N -2 3 353.293 2.152 20 0 FEADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2ccc(Cl)s2)(C(=O)[O-])C1(C)C ZINC000275551775 330062673 /nfs/dbraw/zinc/06/26/73/330062673.db2.gz DTCPZDLFZZFXSG-AMIZOPFISA-N -2 3 367.876 2.338 20 0 FEADHL CC[C@H](CC[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000297134140 330195576 /nfs/dbraw/zinc/19/55/76/330195576.db2.gz HOXAHMJIXWPICQ-SSDOTTSWSA-N -2 3 356.263 2.290 20 0 FEADHL COC(=O)[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000477516642 561146779 /nfs/dbraw/zinc/14/67/79/561146779.db2.gz MNBNVDGSDGTSPN-HNNXBMFYSA-N -2 3 363.391 2.083 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1c(F)cc(F)cc1F ZINC000164355528 546150127 /nfs/dbraw/zinc/15/01/27/546150127.db2.gz AHMLJEQVAVPLAW-UHFFFAOYSA-N -2 3 369.328 2.009 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1c(F)cc(F)cc1F ZINC000164355528 546150131 /nfs/dbraw/zinc/15/01/31/546150131.db2.gz AHMLJEQVAVPLAW-UHFFFAOYSA-N -2 3 369.328 2.009 20 0 FEADHL O=C([N-]OCc1ccc(F)cc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000186446577 548136686 /nfs/dbraw/zinc/13/66/86/548136686.db2.gz OAXFXCHPKQNAHT-MRXNPFEDSA-N -2 3 358.369 2.384 20 0 FEADHL CN(CCCC(=O)[O-])C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000237020723 548795112 /nfs/dbraw/zinc/79/51/12/548795112.db2.gz RTMCWKDJOXWRKD-UHFFFAOYSA-N -2 3 367.199 2.227 20 0 FEADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000489418542 561410595 /nfs/dbraw/zinc/41/05/95/561410595.db2.gz MRMYROKEQHJPGJ-QMMMGPOBSA-N -2 3 373.228 2.139 20 0 FEADHL C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000248863360 549515582 /nfs/dbraw/zinc/51/55/82/549515582.db2.gz GQFYCRXNBTUSTB-TUAOUCFPSA-N -2 3 360.501 2.091 20 0 FEADHL C[C@H](CCC(=O)[N-]OCc1cccnc1)CC(=O)[N-]OCc1cccnc1 ZINC000269577413 550207767 /nfs/dbraw/zinc/20/77/67/550207767.db2.gz FOXUTQGTHJZNJC-OAHLLOKOSA-N -2 3 372.425 2.079 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(F)ccc2Br)CCCC1 ZINC000270539990 550281620 /nfs/dbraw/zinc/28/16/20/550281620.db2.gz XHBKKOBZFFOBDD-UHFFFAOYSA-N -2 3 366.208 2.264 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(C)o1 ZINC000273640047 550506318 /nfs/dbraw/zinc/50/63/18/550506318.db2.gz DYPKUQPJZAAPQR-CQSZACIVSA-N -2 3 353.396 2.261 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-][C@@H](CCc1ccccc1)C(=O)[O-] ZINC000274911825 550564446 /nfs/dbraw/zinc/56/44/46/550564446.db2.gz KYLPTXFTAUQAJP-LBPRGKRZSA-N -2 3 355.437 2.121 20 0 FEADHL CCCCCC[C@@](C)(NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)C(=O)[O-] ZINC000277571542 550686185 /nfs/dbraw/zinc/68/61/85/550686185.db2.gz FATJXBVMWZJTJC-MRXNPFEDSA-N -2 3 374.459 2.040 20 0 FEADHL CCc1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c([O-])c1 ZINC000281730145 551136109 /nfs/dbraw/zinc/13/61/09/551136109.db2.gz NZNGMKAWVNJVAU-UHFFFAOYSA-N -2 3 358.360 2.485 20 0 FEADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000284937752 551671562 /nfs/dbraw/zinc/67/15/62/551671562.db2.gz CSDVJSCVKKRRKX-JTQLQIEISA-N -2 3 353.799 2.026 20 0 FEADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000287328513 551989872 /nfs/dbraw/zinc/98/98/72/551989872.db2.gz VRFSNNZLLRJFRU-ZETCQYMHSA-N -2 3 359.297 2.256 20 0 FEADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000287699698 552035679 /nfs/dbraw/zinc/03/56/79/552035679.db2.gz XMNNOFVARAYXGL-SNVBAGLBSA-N -2 3 366.208 2.120 20 0 FEADHL O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[N-]OC1CCCC1 ZINC000290257071 552449542 /nfs/dbraw/zinc/44/95/42/552449542.db2.gz AGNHLHUGWHBHIY-UHFFFAOYSA-N -2 3 367.254 2.262 20 0 FEADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)s1 ZINC000504274026 561655364 /nfs/dbraw/zinc/65/53/64/561655364.db2.gz HPPXYYZHLQDWLE-UHFFFAOYSA-N -2 3 361.372 2.189 20 0 FEADHL Cc1nn(-c2ccccn2)c(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504728689 561661815 /nfs/dbraw/zinc/66/18/15/561661815.db2.gz GFAYXASZXOFVPP-BQYQJAHWSA-N -2 3 365.393 2.486 20 0 FEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000325073335 553774885 /nfs/dbraw/zinc/77/48/85/553774885.db2.gz WSKAGXUGUUNIKX-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL C[C@H]1C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3F)cc21 ZINC000327791476 553791679 /nfs/dbraw/zinc/79/16/79/553791679.db2.gz CQGRIETUAMLXTH-MRVPVSSYSA-N -2 3 364.354 2.380 20 0 FEADHL CCOc1nc2ccc(C(=O)N3CCCC[C@@H]3c3n[nH]c(=O)[n-]3)cc2[n-]1 ZINC000329430779 553945237 /nfs/dbraw/zinc/94/52/37/553945237.db2.gz KITONVYWOOXPMC-CYBMUJFWSA-N -2 3 356.386 2.153 20 0 FEADHL CCOc1nc2cc(C(=O)N3CCCC[C@@H]3c3n[nH]c(=O)[n-]3)ccc2[n-]1 ZINC000329430779 553945240 /nfs/dbraw/zinc/94/52/40/553945240.db2.gz KITONVYWOOXPMC-CYBMUJFWSA-N -2 3 356.386 2.153 20 0 FEADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3c[nH]c(C)n3)c2)n1 ZINC000363094948 555028968 /nfs/dbraw/zinc/02/89/68/555028968.db2.gz PRSNNFMPLCGKDS-UHFFFAOYSA-N -2 3 359.411 2.244 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCOCC2)c1 ZINC000519149546 562125995 /nfs/dbraw/zinc/12/59/95/562125995.db2.gz BRQQDBQZTPNEJL-UHFFFAOYSA-N -2 3 369.370 2.101 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)Cc1ccccn1 ZINC000520306412 562153096 /nfs/dbraw/zinc/15/30/96/562153096.db2.gz JPGLYZXHKNUZRG-JTQLQIEISA-N -2 3 372.805 2.096 20 0 FEADHL Cc1c(Br)ccc([O-])c1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000520728359 562162266 /nfs/dbraw/zinc/16/22/66/562162266.db2.gz LIBQROMMNDTDQM-SECBINFHSA-N -2 3 350.234 2.384 20 0 FEADHL Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000522582718 562200088 /nfs/dbraw/zinc/20/00/88/562200088.db2.gz NTYJJSGTBKVAJU-QHCPKHFHSA-N -2 3 367.448 2.373 20 0 FEADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)COCc1ccccc1 ZINC000390433384 558611382 /nfs/dbraw/zinc/61/13/82/558611382.db2.gz GIJWPARPFULLSR-LBPRGKRZSA-N -2 3 353.396 2.109 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3cncc(F)c3)cc2)n1 ZINC000524144576 562224587 /nfs/dbraw/zinc/22/45/87/562224587.db2.gz UYNWKAGJZNVWIP-UHFFFAOYSA-N -2 3 360.370 2.080 20 0 FEADHL COCCCn1c(=O)[n-]nc1SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC000412983049 559068825 /nfs/dbraw/zinc/06/88/25/559068825.db2.gz LIGNYTBEVWDSFQ-UHFFFAOYSA-N -2 3 373.438 2.475 20 0 FEADHL COc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c(Cl)cc1C(=O)[O-] ZINC000414343780 559157544 /nfs/dbraw/zinc/15/75/44/559157544.db2.gz RAEVNOCMCKUYIE-ZJUUUORDSA-N -2 3 351.783 2.216 20 0 FEADHL COC(=O)[C@@H](CN=c1nc(CC(C)C)[n-]s1)Cc1ccc([O-])c(F)c1 ZINC000420638495 559494669 /nfs/dbraw/zinc/49/46/69/559494669.db2.gz QGJIACPZXHXHNS-GFCCVEGCSA-N -2 3 367.446 2.447 20 0 FEADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-])c2)n1 ZINC000421809610 559554385 /nfs/dbraw/zinc/55/43/85/559554385.db2.gz VQZLTQUUOFIVHS-MNOVXSKESA-N -2 3 359.382 2.228 20 0 FEADHL CC(C)c1nnc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)s1 ZINC000427246538 559751200 /nfs/dbraw/zinc/75/12/00/559751200.db2.gz QSPMUUXRBOFJQA-UHFFFAOYSA-N -2 3 373.431 2.020 20 0 FEADHL CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])cc21 ZINC000433527113 559883683 /nfs/dbraw/zinc/88/36/83/559883683.db2.gz YQQIGKJQYJGJMA-UHFFFAOYSA-N -3 3 361.379 2.261 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c(C(=O)[O-])c1 ZINC000436662100 559947986 /nfs/dbraw/zinc/94/79/86/559947986.db2.gz HUFVFIIYBBBVMK-UHFFFAOYSA-N -3 3 365.363 2.206 20 0 FEADHL CC(=O)c1ccc([O-])c(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)c1 ZINC000436875039 559955169 /nfs/dbraw/zinc/95/51/69/559955169.db2.gz BZRGAPPHXYEJQB-UHFFFAOYSA-N -2 3 367.361 2.039 20 0 FEADHL COCCN(CCCNC(=O)c1ccccc1[O-])C(=O)c1ccccc1[O-] ZINC000436921093 559956500 /nfs/dbraw/zinc/95/65/00/559956500.db2.gz RWPXMLXEPPFQHK-UHFFFAOYSA-N -2 3 372.421 2.007 20 0 FEADHL O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1c([O-])cccc1F ZINC000436978306 559958274 /nfs/dbraw/zinc/95/82/74/559958274.db2.gz HXQPLCVMZDYKGY-UHFFFAOYSA-N -2 3 358.369 2.272 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1C(=O)[O-] ZINC000440821653 560019062 /nfs/dbraw/zinc/01/90/62/560019062.db2.gz RXXPGIDEZAGJSV-UHFFFAOYSA-N -3 3 363.391 2.375 20 0 FEADHL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])n[nH]2)o1 ZINC000446621331 560148734 /nfs/dbraw/zinc/14/87/34/560148734.db2.gz BVIZXDDMTUGMPL-UHFFFAOYSA-N -3 3 363.351 2.183 20 0 FEADHL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])[nH]n2)o1 ZINC000446621331 560148735 /nfs/dbraw/zinc/14/87/35/560148735.db2.gz BVIZXDDMTUGMPL-UHFFFAOYSA-N -3 3 363.351 2.183 20 0 FEADHL Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])no1 ZINC000451156041 560290282 /nfs/dbraw/zinc/29/02/82/560290282.db2.gz RNKRMHNOZLOLCL-UHFFFAOYSA-N -2 3 365.333 2.316 20 0 FEADHL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000460434445 560743762 /nfs/dbraw/zinc/74/37/62/560743762.db2.gz GYWQVMRPEXAJPC-UHFFFAOYSA-N -2 3 366.370 2.307 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000462366849 560807762 /nfs/dbraw/zinc/80/77/62/560807762.db2.gz XDZXVBKIFXYMGS-UHFFFAOYSA-N -2 3 372.402 2.021 20 0 FEADHL COCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000466424847 560886796 /nfs/dbraw/zinc/88/67/96/560886796.db2.gz HHALGQXBVGPCRF-UHFFFAOYSA-N -3 3 351.380 2.080 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)cc1 ZINC000470264928 560977643 /nfs/dbraw/zinc/97/76/43/560977643.db2.gz RXGHDGOECADDGE-UHFFFAOYSA-N -2 3 362.342 2.110 20 0 FEADHL O=C(NCc1ccc([O-])c(Br)c1)NCc1ncccc1[O-] ZINC000472038760 561016585 /nfs/dbraw/zinc/01/65/85/561016585.db2.gz PNFPJTNHQNEJNP-UHFFFAOYSA-N -2 3 352.188 2.255 20 0 FEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000540999914 562599869 /nfs/dbraw/zinc/59/98/69/562599869.db2.gz NHTIYUYJTWJNQW-UHFFFAOYSA-N -2 3 359.787 2.427 20 0 FEADHL CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)ccc1F ZINC000541575058 562615585 /nfs/dbraw/zinc/61/55/85/562615585.db2.gz LQEQPVLXRACYDD-UHFFFAOYSA-N -2 3 366.370 2.077 20 0 FEADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000556413589 674401407 /nfs/dbraw/zinc/40/14/07/674401407.db2.gz HLBAXKFBZHLYLJ-ZCFIWIBFSA-N -2 3 356.625 2.244 20 0 FEADHL CCc1csc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000736700847 598890356 /nfs/dbraw/zinc/89/03/56/598890356.db2.gz XHCDHJSJRLLEPE-UHFFFAOYSA-N -2 3 370.847 2.340 20 0 FEADHL CCc1csc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000736700847 598890359 /nfs/dbraw/zinc/89/03/59/598890359.db2.gz XHCDHJSJRLLEPE-UHFFFAOYSA-N -2 3 370.847 2.340 20 0 FEADHL CNS(=O)(=O)c1cc(NC(=O)c2ccc(C(C)C)cc2[O-])ccc1[O-] ZINC000807385880 674414162 /nfs/dbraw/zinc/41/41/62/674414162.db2.gz KKMDJQHBRALNND-UHFFFAOYSA-N -2 3 364.423 2.382 20 0 FEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC000735550806 599153055 /nfs/dbraw/zinc/15/30/55/599153055.db2.gz LQQPACYBCFXLML-MRVPVSSYSA-N -2 3 371.850 2.007 20 0 FEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)(C)C ZINC000735550806 599153057 /nfs/dbraw/zinc/15/30/57/599153057.db2.gz LQQPACYBCFXLML-MRVPVSSYSA-N -2 3 371.850 2.007 20 0 FEADHL C[C@H](OC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000737708802 597498559 /nfs/dbraw/zinc/49/85/59/597498559.db2.gz RYUKNFFQCDKSDJ-LRDDRELGSA-N -2 3 357.362 2.270 20 0 FEADHL CCc1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000736701072 598332983 /nfs/dbraw/zinc/33/29/83/598332983.db2.gz YIQRRBLWIBKVMV-UHFFFAOYSA-N -2 3 370.847 2.340 20 0 FEADHL CCc1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000736701072 598332984 /nfs/dbraw/zinc/33/29/84/598332984.db2.gz YIQRRBLWIBKVMV-UHFFFAOYSA-N -2 3 370.847 2.340 20 0 FEADHL O=S(=O)([N-]c1cccc(Cl)c1O)c1cccc(-c2nnn[n-]2)c1 ZINC000738341009 599457443 /nfs/dbraw/zinc/45/74/43/599457443.db2.gz BVFLBXTWVRMSSY-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=S(=O)([N-]c1cccc(Cl)c1O)c1cccc(-c2nn[n-]n2)c1 ZINC000738341009 599457445 /nfs/dbraw/zinc/45/74/45/599457445.db2.gz BVFLBXTWVRMSSY-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cc(F)ccc1F ZINC000681565917 599760760 /nfs/dbraw/zinc/76/07/60/599760760.db2.gz BAYBJTWZJWGXAL-CYBMUJFWSA-N -2 3 363.288 2.347 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)o1 ZINC000570043495 599773072 /nfs/dbraw/zinc/77/30/72/599773072.db2.gz YWKNGMKFVSIBEI-DOMZBBRYSA-N -2 3 369.370 2.316 20 0 FEADHL Cc1nc(C)c(CCC(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c(=O)[n-]1 ZINC000738847175 599934703 /nfs/dbraw/zinc/93/47/03/599934703.db2.gz LOCDPMMIPPAAMR-INIZCTEOSA-N -2 3 357.410 2.454 20 0 FEADHL O=C([O-])Nc1cccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000740030445 599989605 /nfs/dbraw/zinc/98/96/05/599989605.db2.gz YKDOFNXNPZBESD-UHFFFAOYSA-N -2 3 369.377 2.080 20 0 FEADHL O=C([O-])[C@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCO1 ZINC000738546924 599991089 /nfs/dbraw/zinc/99/10/89/599991089.db2.gz GPAYVMIAGYVEOR-GOSISDBHSA-N -2 3 355.390 2.103 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(F)cc2C(=O)[O-])cc1 ZINC000738163851 600112930 /nfs/dbraw/zinc/11/29/30/600112930.db2.gz IUYNGBPIJIAFMJ-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000609985150 600396176 /nfs/dbraw/zinc/39/61/76/600396176.db2.gz IRPYMXHNHRWVGV-UHFFFAOYSA-N -2 3 363.391 2.291 20 0 FEADHL O=C([O-])[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1cc(F)ccc1F ZINC000739374155 600485535 /nfs/dbraw/zinc/48/55/35/600485535.db2.gz SHEOTBLUZHDONE-CYBMUJFWSA-N -2 3 359.288 2.169 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C1CC1 ZINC000736665596 600632158 /nfs/dbraw/zinc/63/21/58/600632158.db2.gz WOJAFOWYUGSHQF-ZCFIWIBFSA-N -2 3 366.208 2.363 20 0 FEADHL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000738604072 600678871 /nfs/dbraw/zinc/67/88/71/600678871.db2.gz VQPQDKDRSLKNSG-UHFFFAOYSA-N -2 3 365.407 2.142 20 0 FEADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)o1 ZINC000563073095 600762452 /nfs/dbraw/zinc/76/24/52/600762452.db2.gz QRIUQIPSDFVIEP-HNNXBMFYSA-N -2 3 367.423 2.347 20 0 FEADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000563072556 600762458 /nfs/dbraw/zinc/76/24/58/600762458.db2.gz MIDKYCLDFJNQIQ-OAHLLOKOSA-N -2 3 367.423 2.347 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000564918444 600800221 /nfs/dbraw/zinc/80/02/21/600800221.db2.gz KRGWJFFSBBOMNV-SNVBAGLBSA-N -2 3 367.427 2.246 20 0 FEADHL COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000831484489 601238435 /nfs/dbraw/zinc/23/84/35/601238435.db2.gz MIVCSEPMCVLKNF-MRVPVSSYSA-N -2 3 351.371 2.145 20 0 FEADHL CC(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000826747184 601265948 /nfs/dbraw/zinc/26/59/48/601265948.db2.gz HWACMRSUZQIWPW-OTYXRUKQSA-N -2 3 363.382 2.002 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000014097344 601319759 /nfs/dbraw/zinc/31/97/59/601319759.db2.gz HZBCWMQYRPVFNL-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3C[C@H](C(=O)[O-])[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000832991788 601780901 /nfs/dbraw/zinc/78/09/01/601780901.db2.gz YFNYYWNJLYHFJE-YGRLFVJLSA-N -2 3 356.382 2.342 20 0 FEADHL O=C([O-])N1[C@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)C[C@H]2CCCC[C@@H]21 ZINC000740477990 601893201 /nfs/dbraw/zinc/89/32/01/601893201.db2.gz LTXVKDWJAVACHG-WXHSDQCUSA-N -2 3 356.386 2.116 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)c1-c1nnn[n-]1 ZINC000826303731 607534691 /nfs/dbraw/zinc/53/46/91/607534691.db2.gz BXDDVEPJCYVLSF-UHFFFAOYSA-N -2 3 373.442 2.063 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)c1-c1nn[n-]n1 ZINC000826303731 607534693 /nfs/dbraw/zinc/53/46/93/607534693.db2.gz BXDDVEPJCYVLSF-UHFFFAOYSA-N -2 3 373.442 2.063 20 0 FEADHL O=C([O-])N1CCC[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000740512442 601989762 /nfs/dbraw/zinc/98/97/62/601989762.db2.gz NGMQUDQQZZJVAH-VIFPVBQESA-N -2 3 350.799 2.147 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1CCCN(C(=O)[O-])C1 ZINC000832855822 602152784 /nfs/dbraw/zinc/15/27/84/602152784.db2.gz FAELKEPJMFPVSU-LLVKDONJSA-N -2 3 356.375 2.301 20 0 FEADHL O=C([O-])N1CCCc2cc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)ccc21 ZINC000740471827 602577147 /nfs/dbraw/zinc/57/71/47/602577147.db2.gz LOKWZBIVTXVQLG-UHFFFAOYSA-N -2 3 365.345 2.253 20 0 FEADHL O=C([O-])NC1CCC([N-]S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000740559351 603087449 /nfs/dbraw/zinc/08/74/49/603087449.db2.gz AYOPJLSJKZRBHH-UHFFFAOYSA-N -2 3 350.799 2.336 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)NC(=O)[O-] ZINC000824011137 603470905 /nfs/dbraw/zinc/47/09/05/603470905.db2.gz FGIPBXQCJLQFKU-UHFFFAOYSA-N -2 3 358.313 2.169 20 0 FEADHL CSc1nc(NC(=O)c2ccc3c(ccn3CCCNC(=O)[O-])c2)n[n-]1 ZINC000829783021 603531014 /nfs/dbraw/zinc/53/10/14/603531014.db2.gz FIXJIRFBEPQHQE-UHFFFAOYSA-N -2 3 374.426 2.391 20 0 FEADHL Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1)c2=O ZINC000830438846 604297859 /nfs/dbraw/zinc/29/78/59/604297859.db2.gz MFKLJWZJCGUNBV-NWDGAFQWSA-N -2 3 358.398 2.152 20 0 FEADHL CC(C)(C(=O)[O-])[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000826091108 604707036 /nfs/dbraw/zinc/70/70/36/604707036.db2.gz ZXVNDTFHGLBBAN-QGZVFWFLSA-N -2 3 370.405 2.090 20 0 FEADHL CCCOc1cccc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000829541114 604813049 /nfs/dbraw/zinc/81/30/49/604813049.db2.gz AVKURGDPNQQKRR-UHFFFAOYSA-N -2 3 353.396 2.288 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)cc1C(=O)[O-] ZINC000833734496 605087825 /nfs/dbraw/zinc/08/78/25/605087825.db2.gz HXQPJCKOBHKYOO-UHFFFAOYSA-N -2 3 362.407 2.187 20 0 FEADHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCCNC(=O)[O-])cc1 ZINC000833910600 606079880 /nfs/dbraw/zinc/07/98/80/606079880.db2.gz YKTJKZNIAPGDPQ-UHFFFAOYSA-N -2 3 350.396 2.442 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cnc1Cl ZINC000822153877 606637827 /nfs/dbraw/zinc/63/78/27/606637827.db2.gz QIGCFAPDGPXXFB-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820870425 606893708 /nfs/dbraw/zinc/89/37/08/606893708.db2.gz SIRLJKTVCCAFSL-BDAKNGLRSA-N -2 3 359.402 2.248 20 0 FEADHL O=C([O-])CCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826461106 607833785 /nfs/dbraw/zinc/83/37/85/607833785.db2.gz GJWXAEWAMJOUFU-UHFFFAOYSA-N -2 3 357.395 2.076 20 0 FEADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(C2CCCCC2)cc1 ZINC000826492398 608305830 /nfs/dbraw/zinc/30/58/30/608305830.db2.gz IIUSOIPYDKPWPJ-UHFFFAOYSA-N -2 3 373.442 2.438 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2cccc(-c3nnn[n-]3)c2)c(C(=O)[O-])c1 ZINC000825565849 608666359 /nfs/dbraw/zinc/66/63/59/608666359.db2.gz YYTVNQYJBUIECO-SREVYHEPSA-N -2 3 365.349 2.307 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2cccc(-c3nn[n-]n3)c2)c(C(=O)[O-])c1 ZINC000825565849 608666361 /nfs/dbraw/zinc/66/63/61/608666361.db2.gz YYTVNQYJBUIECO-SREVYHEPSA-N -2 3 365.349 2.307 20 0 FEADHL O=C([N-][N-]S(=O)(=O)c1c(F)cccc1F)c1ccc2ccccc2n1 ZINC000021270385 670032186 /nfs/dbraw/zinc/03/21/86/670032186.db2.gz YKTMTOWLMNZBQG-UHFFFAOYSA-N -2 3 363.345 2.136 20 0 FEADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000037373359 670138548 /nfs/dbraw/zinc/13/85/48/670138548.db2.gz JDPMTIHUDFIZDV-RCOVLWMOSA-N -2 3 356.263 2.288 20 0 FEADHL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000054795518 670341132 /nfs/dbraw/zinc/34/11/32/670341132.db2.gz KPHINZZRBCONTI-UHFFFAOYSA-N -3 3 357.290 2.162 20 0 FEADHL O=C(CCOc1ccccc1)[N-][N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000060838693 670389896 /nfs/dbraw/zinc/38/98/96/670389896.db2.gz PSMXQMCUSPTXCS-UHFFFAOYSA-N -2 3 354.815 2.119 20 0 FEADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000097064265 670762265 /nfs/dbraw/zinc/76/22/65/670762265.db2.gz MSVYGBAOILTDPW-RQJHMYQMSA-N -2 3 354.247 2.042 20 0 FEADHL CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000572838830 671050791 /nfs/dbraw/zinc/05/07/91/671050791.db2.gz OZEGHZTZYOCNNX-IUCAKERBSA-N -2 3 350.487 2.184 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-])c(F)cc1Br ZINC000578845935 671693415 /nfs/dbraw/zinc/69/34/15/671693415.db2.gz RCFOSCIFVWPAOS-JGVFFNPUSA-N -2 3 368.224 2.284 20 0 FEADHL CCc1oc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1C(=O)[O-] ZINC000579011519 671705982 /nfs/dbraw/zinc/70/59/82/671705982.db2.gz QQPPICSXDKWKCE-UHFFFAOYSA-N -2 3 352.368 2.164 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(F)c(C)c2)s1 ZINC000581605817 671917102 /nfs/dbraw/zinc/91/71/02/671917102.db2.gz AOVVPQXUQNWBOV-CYBMUJFWSA-N -2 3 358.416 2.257 20 0 FEADHL CCCOc1ccc(S(=O)(=O)[N-]c2c[n-]c(C(=O)OCC)n2)cc1 ZINC000585730989 672227787 /nfs/dbraw/zinc/22/77/87/672227787.db2.gz VIDBVQGQVVXVIS-UHFFFAOYSA-N -2 3 353.400 2.176 20 0 FEADHL Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)s1 ZINC000185097563 672518564 /nfs/dbraw/zinc/51/85/64/672518564.db2.gz MQSADCUDVMDZHE-ZETCQYMHSA-N -2 3 362.379 2.467 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)sc1Br ZINC000718115483 673077243 /nfs/dbraw/zinc/07/72/43/673077243.db2.gz OLPVQXMPAWCDBN-UHFFFAOYSA-N -2 3 368.274 2.351 20 0 FEADHL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000538014413 673417849 /nfs/dbraw/zinc/41/78/49/673417849.db2.gz XWIWDYPJZUDKRP-UHFFFAOYSA-N -2 3 372.443 2.182 20 0 FEADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(=O)[O-])c1 ZINC000547547896 673861596 /nfs/dbraw/zinc/86/15/96/673861596.db2.gz WXZSCLRPSLSWIL-UHFFFAOYSA-N -2 3 362.407 2.454 20 0 FEADHL Cc1ccccc1C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000547571028 673865797 /nfs/dbraw/zinc/86/57/97/673865797.db2.gz UZCQHEGHMSALLB-CYBMUJFWSA-N -2 3 369.389 2.495 20 0 FEADHL CCCSC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000547592492 673870074 /nfs/dbraw/zinc/87/00/74/673870074.db2.gz FHCPYKCSCXUDJT-VIFPVBQESA-N -2 3 355.840 2.354 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-]CC[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000548028959 673916403 /nfs/dbraw/zinc/91/64/03/673916403.db2.gz DPIJHLNWBNWYCN-ZDUSSCGKSA-N -2 3 354.453 2.063 20 0 FEADHL Cc1nc(C[N-]S(=O)(=O)c2cc3ccccc3o2)sc1C(=O)[O-] ZINC000548210081 673935145 /nfs/dbraw/zinc/93/51/45/673935145.db2.gz CMNIQDNOAUYTBQ-UHFFFAOYSA-N -2 3 352.393 2.374 20 0 FEADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000548264852 673944970 /nfs/dbraw/zinc/94/49/70/673944970.db2.gz QEQSDSYDFWHPAF-MWLCHTKSSA-N -2 3 370.254 2.194 20 0 FEADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000548827392 673999140 /nfs/dbraw/zinc/99/91/40/673999140.db2.gz PFJJACAAFLQGNX-GFCCVEGCSA-N -2 3 355.803 2.191 20 0 FEADHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000566620560 675229715 /nfs/dbraw/zinc/22/97/15/675229715.db2.gz KZSYTLWENIIPAU-JTQLQIEISA-N -2 3 354.350 2.268 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H]1SCCc2ccccc21 ZINC000567792361 675323099 /nfs/dbraw/zinc/32/30/99/675323099.db2.gz DJAOPBYZZOLHCN-LLVKDONJSA-N -2 3 370.477 2.150 20 0 FEADHL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(C(=O)OCC)cc1[O-] ZINC000821177946 675420152 /nfs/dbraw/zinc/42/01/52/675420152.db2.gz MVRWVVNNEJGNHU-CQSZACIVSA-N -2 3 373.427 2.042 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000825717196 675665563 /nfs/dbraw/zinc/66/55/63/675665563.db2.gz IWHMBKCJOBSXTK-UHFFFAOYSA-N -2 3 353.404 2.431 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000825717196 675665565 /nfs/dbraw/zinc/66/55/65/675665565.db2.gz IWHMBKCJOBSXTK-UHFFFAOYSA-N -2 3 353.404 2.431 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000826299335 675685210 /nfs/dbraw/zinc/68/52/10/675685210.db2.gz ADXAKTLZVKTKTL-UHFFFAOYSA-N -2 3 365.365 2.395 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826299652 675685922 /nfs/dbraw/zinc/68/59/22/675685922.db2.gz OLABBYMMTUJGAO-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C1(c2c(F)cccc2F)CCC1 ZINC000629347073 676849892 /nfs/dbraw/zinc/84/98/92/676849892.db2.gz GTEKKTJHAAFLHE-UHFFFAOYSA-N -2 3 374.390 2.477 20 0 FEADHL CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000645949363 677275630 /nfs/dbraw/zinc/27/56/30/677275630.db2.gz IAOKZLFRUIEKOG-UHFFFAOYSA-N -2 3 370.452 2.150 20 0 FEADHL Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@@H](C)C2 ZINC000645994103 677276596 /nfs/dbraw/zinc/27/65/96/677276596.db2.gz XSWHPUOGPXFLTC-ZANVPECISA-N -2 3 352.437 2.362 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CCC1 ZINC000646059761 677278245 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2.455 20 0 FEADHL Cn1[n-]c(COC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])nc1=O ZINC000765487052 680843665 /nfs/dbraw/zinc/84/36/65/680843665.db2.gz PEJLDLIBLBLMEC-UHFFFAOYSA-N -2 3 359.769 2.491 20 0 FEADHL COCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCCC1 ZINC000840894706 680850553 /nfs/dbraw/zinc/85/05/53/680850553.db2.gz FQVZDYOAPDBLNG-UHFFFAOYSA-N -2 3 363.382 2.148 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1O ZINC000676351358 679629666 /nfs/dbraw/zinc/62/96/66/679629666.db2.gz AQYJXGZFBNRZJN-UHFFFAOYSA-N -2 3 374.415 2.012 20 0 FEADHL O=C(COC(=O)c1cc(F)cc(Cl)c1[O-])[N-]C(=O)c1ccccc1 ZINC000748476634 679967260 /nfs/dbraw/zinc/96/72/60/679967260.db2.gz QSNUOPBPJYYZJH-UHFFFAOYSA-N -2 3 351.717 2.298 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(O)cc2)c(F)cc1F ZINC000844204558 681044354 /nfs/dbraw/zinc/04/43/54/681044354.db2.gz GSVLDHDIYGGGPG-AWEZNQCLSA-N -2 3 357.334 2.083 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccnc1Cl)c1c(F)cccc1F ZINC000776589671 681412007 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FEADHL CO[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)C(F)(F)F ZINC000787250453 682445347 /nfs/dbraw/zinc/44/53/47/682445347.db2.gz XPWUWOXZAQRQHM-JTQLQIEISA-N -2 3 373.324 2.078 20 0 FEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c1F ZINC000794840471 682998656 /nfs/dbraw/zinc/99/86/56/682998656.db2.gz GXYBYPCYIGUGFS-UHFFFAOYSA-N -2 3 355.309 2.453 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c([C@H](C)O)c2)cc1C(=O)[O-] ZINC000795389439 683048056 /nfs/dbraw/zinc/04/80/56/683048056.db2.gz UYDUTLQZDVPVKL-VIFPVBQESA-N -2 3 369.370 2.387 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1)C(F)(F)F ZINC000871964033 684895974 /nfs/dbraw/zinc/89/59/74/684895974.db2.gz VFERMZPMKDEBPB-MRVPVSSYSA-N -2 3 373.324 2.298 20 0 FEADHL C[C@H](C(=O)[O-])N(C(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000909159102 691787619 /nfs/dbraw/zinc/78/76/19/691787619.db2.gz JDULXEIBDCQCSU-MRVPVSSYSA-N -2 3 357.204 2.302 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c[nH]1 ZINC000036751808 539994149 /nfs/dbraw/zinc/99/41/49/539994149.db2.gz UDLRDJZYNMPBBA-UHFFFAOYSA-N -2 3 363.164 2.415 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000036833122 539994967 /nfs/dbraw/zinc/99/49/67/539994967.db2.gz VEJOKIOEXITOFC-UHFFFAOYSA-N -2 3 370.452 2.258 20 0 FEADHL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000068216113 541564056 /nfs/dbraw/zinc/56/40/56/541564056.db2.gz ONHSNPJYRBSERW-UHFFFAOYSA-N -2 3 360.391 2.158 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C1CC1 ZINC000551235584 674133230 /nfs/dbraw/zinc/13/32/30/674133230.db2.gz XOECZKMPAYHQDI-JTQLQIEISA-N -2 3 368.636 2.244 20 0 FEADHL CC(C)OCCS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)[O-] ZINC000127573559 544001777 /nfs/dbraw/zinc/00/17/77/544001777.db2.gz GRMRXHCIYIJSQO-UHFFFAOYSA-N -2 3 366.233 2.314 20 0 FEADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc([O-])c(F)c2)o1 ZINC000132685738 544240371 /nfs/dbraw/zinc/24/03/71/544240371.db2.gz UCAYHXYGJWAWOR-UHFFFAOYSA-N -2 3 370.402 2.131 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000121595400 326350355 /nfs/dbraw/zinc/35/03/55/326350355.db2.gz QRTNNALLPPEHFZ-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000121595400 326350357 /nfs/dbraw/zinc/35/03/57/326350357.db2.gz QRTNNALLPPEHFZ-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL CCCCCc1nnc([N-]C(=O)c2coc(S(=O)(=O)[N-]C)c2)s1 ZINC000121882525 326373812 /nfs/dbraw/zinc/37/38/12/326373812.db2.gz YKBHKHUIMBHMPS-UHFFFAOYSA-N -2 3 358.445 2.024 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1F ZINC000135325284 326639363 /nfs/dbraw/zinc/63/93/63/326639363.db2.gz MGDLSRKNXACFCF-UHFFFAOYSA-N -2 3 362.379 2.137 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3cnn(C(C)C)c3)cc2)n1 ZINC000157698385 326872514 /nfs/dbraw/zinc/87/25/14/326872514.db2.gz KLILTGIGAOKQQM-UHFFFAOYSA-N -2 3 373.438 2.324 20 0 FEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)SC ZINC000162538196 327028221 /nfs/dbraw/zinc/02/82/21/327028221.db2.gz LGSMNTSRYXYSEZ-SSDOTTSWSA-N -2 3 353.849 2.077 20 0 FEADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000164886655 327075330 /nfs/dbraw/zinc/07/53/30/327075330.db2.gz QMWYKBJPKYFXIH-HQJQHLMTSA-N -2 3 368.274 2.432 20 0 FEADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O ZINC000174675352 327342927 /nfs/dbraw/zinc/34/29/27/327342927.db2.gz PEYHOTITFOOCEI-UHFFFAOYSA-N -2 3 358.416 2.306 20 0 FEADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CCO1 ZINC000273631343 329880329 /nfs/dbraw/zinc/88/03/29/329880329.db2.gz COHOLVCLOQKFJK-SFYZADRCSA-N -2 3 351.783 2.023 20 0 FEADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)o1 ZINC000273707088 329885235 /nfs/dbraw/zinc/88/52/35/329885235.db2.gz OOJJNUJDTIEAIW-CQSZACIVSA-N -2 3 371.386 2.345 20 0 FEADHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000274943881 329995140 /nfs/dbraw/zinc/99/51/40/329995140.db2.gz FLNGOUJBSUWNRP-APPZFPTMSA-N -2 3 353.293 2.152 20 0 FEADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000275038299 330004161 /nfs/dbraw/zinc/00/41/61/330004161.db2.gz VBCOMOQZYFLTOS-VIFPVBQESA-N -2 3 363.819 2.048 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-])c(Cl)c1Cl ZINC000275065953 330007083 /nfs/dbraw/zinc/00/70/83/330007083.db2.gz VNHDXRDDVKSKCQ-SSDOTTSWSA-N -2 3 356.227 2.391 20 0 FEADHL Cc1nc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)c[nH]1 ZINC000275351481 330038336 /nfs/dbraw/zinc/03/83/36/330038336.db2.gz WLDLMDLEMUBGGY-AWEZNQCLSA-N -2 3 351.428 2.336 20 0 FEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CCC(=O)[O-])c1ccccc1 ZINC000275358415 330039342 /nfs/dbraw/zinc/03/93/42/330039342.db2.gz XESZFLARNXZQOV-GFCCVEGCSA-N -2 3 371.846 2.266 20 0 FEADHL O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc2ccccc2c1[O-] ZINC000276399261 330148788 /nfs/dbraw/zinc/14/87/88/330148788.db2.gz DAIWTEOJPLCFTQ-UHFFFAOYSA-N -2 3 353.378 2.445 20 0 FEADHL COC(=O)[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000477516643 561146784 /nfs/dbraw/zinc/14/67/84/561146784.db2.gz MNBNVDGSDGTSPN-OAHLLOKOSA-N -2 3 363.391 2.083 20 0 FEADHL COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1F ZINC000478692966 561172833 /nfs/dbraw/zinc/17/28/33/561172833.db2.gz CBAYNZGAWFVTSH-UHFFFAOYSA-N -2 3 373.333 2.266 20 0 FEADHL O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000479197572 561184118 /nfs/dbraw/zinc/18/41/18/561184118.db2.gz HNHMSNTXVXFXDH-GFCCVEGCSA-N -2 3 374.340 2.075 20 0 FEADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cc(F)ccc1[O-] ZINC000179652150 546991602 /nfs/dbraw/zinc/99/16/02/546991602.db2.gz OTXJXDXGGGNQHQ-UHFFFAOYSA-N -2 3 354.341 2.166 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H](C)CCc2cccn2C)c1 ZINC000185079423 547929422 /nfs/dbraw/zinc/92/94/22/547929422.db2.gz SLSVNOFLLOHVBZ-GFCCVEGCSA-N -2 3 368.430 2.470 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1C(=O)[O-] ZINC000485267379 561316027 /nfs/dbraw/zinc/31/60/27/561316027.db2.gz FMQIFLDXVQZEDK-UHFFFAOYSA-N -3 3 369.326 2.032 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c(C)c1C ZINC000486825273 561357676 /nfs/dbraw/zinc/35/76/76/561357676.db2.gz PALQEJJTUHRBMF-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000262294354 549807364 /nfs/dbraw/zinc/80/73/64/549807364.db2.gz IHRNPZRNCJBBQS-SECBINFHSA-N -2 3 359.297 2.112 20 0 FEADHL CS(=O)(=O)[N-]c1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)ccc1F ZINC000262828440 549853955 /nfs/dbraw/zinc/85/39/55/549853955.db2.gz QQUVGUKYUPTDHN-UHFFFAOYSA-N -2 3 372.418 2.105 20 0 FEADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000270421827 550271199 /nfs/dbraw/zinc/27/11/99/550271199.db2.gz FRYVEHDJCOFYKX-ZCFIWIBFSA-N -2 3 356.625 2.244 20 0 FEADHL CCOCCC[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000273815223 550512242 /nfs/dbraw/zinc/51/22/42/550512242.db2.gz ZJJDWAYWCBBJRC-UHFFFAOYSA-N -2 3 356.227 2.397 20 0 FEADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1F)CC(=O)[O-] ZINC000274960532 550567995 /nfs/dbraw/zinc/56/79/95/550567995.db2.gz HOJNYBPWUHVTQW-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])c(Cl)c1 ZINC000274961750 550568014 /nfs/dbraw/zinc/56/80/14/550568014.db2.gz JEUVQYZUUKRXHA-VIFPVBQESA-N -2 3 363.819 2.048 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000276944979 550614134 /nfs/dbraw/zinc/61/41/34/550614134.db2.gz SVHAAYZEDUSCRH-ZCFIWIBFSA-N -2 3 356.625 2.102 20 0 FEADHL Cc1nc(C)c(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)s1 ZINC000285285753 551732165 /nfs/dbraw/zinc/73/21/65/551732165.db2.gz XBCRBPANRALBBU-QMMMGPOBSA-N -2 3 360.379 2.082 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCSC2)c(F)cc1F ZINC000287365026 551994619 /nfs/dbraw/zinc/99/46/19/551994619.db2.gz YPHOJSQRFMLQBC-MRVPVSSYSA-N -2 3 351.396 2.085 20 0 FEADHL CCOC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000290504433 552489807 /nfs/dbraw/zinc/48/98/07/552489807.db2.gz HXBQDYLLHKOUKK-VIFPVBQESA-N -2 3 356.227 2.070 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)CCC1 ZINC000290868810 552552935 /nfs/dbraw/zinc/55/29/35/552552935.db2.gz AVFISVLXKUSMDH-UHFFFAOYSA-N -2 3 369.439 2.134 20 0 FEADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000290910226 552560249 /nfs/dbraw/zinc/56/02/49/552560249.db2.gz GGCLTSRBBUVGMD-BYPYZUCNSA-N -2 3 371.280 2.451 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)[C@H]1OCCc2sccc21 ZINC000291973131 552680214 /nfs/dbraw/zinc/68/02/14/552680214.db2.gz TYMAEWCFKZCJGJ-AMIZOPFISA-N -2 3 373.477 2.489 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CCC(=O)[O-])c(C)o1 ZINC000297359828 553283144 /nfs/dbraw/zinc/28/31/44/553283144.db2.gz ZVFSRJRDPJYGJV-RYUDHWBXSA-N -2 3 373.427 2.077 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)c(C(=O)[O-])c1 ZINC000504666819 561661083 /nfs/dbraw/zinc/66/10/83/561661083.db2.gz ZMOGGPXCTWFUJB-UHFFFAOYSA-N -2 3 362.407 2.187 20 0 FEADHL O=C([O-])[C@@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000323932317 553770432 /nfs/dbraw/zinc/77/04/32/553770432.db2.gz ZSSIKZJBAFABLY-GFCCVEGCSA-N -2 3 373.789 2.159 20 0 FEADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000324001481 553771018 /nfs/dbraw/zinc/77/10/18/553771018.db2.gz IYZKBQWDIRBTBO-PELKAZGASA-N -2 3 367.826 2.414 20 0 FEADHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)cc1C ZINC000327366127 553788678 /nfs/dbraw/zinc/78/86/78/553788678.db2.gz JXXMODBDPIVQQK-UHFFFAOYSA-N -2 3 364.379 2.388 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000327933237 553792040 /nfs/dbraw/zinc/79/20/40/553792040.db2.gz OCPIYUVFQREFQC-UHFFFAOYSA-N -2 3 360.391 2.379 20 0 FEADHL CCOC(=O)c1c[n-]n(C2CCN(Cc3cc([O-])cc(F)c3)CC2)c1=N ZINC000364307219 555288562 /nfs/dbraw/zinc/28/85/62/555288562.db2.gz IXLRNJSJDXLISY-UHFFFAOYSA-N -2 3 362.405 2.154 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC3(CCC3)C2)c1F ZINC000372265964 557425211 /nfs/dbraw/zinc/42/52/11/557425211.db2.gz CVORHZVANQEXLE-IUODEOHRSA-N -2 3 371.430 2.215 20 0 FEADHL CCc1nnc([O-])c(C(=O)N=c2cc(-c3cncc(C)c3)o[n-]2)c1CC ZINC000377809430 558424036 /nfs/dbraw/zinc/42/40/36/558424036.db2.gz PHDGEHAKHWAZSX-UHFFFAOYSA-N -2 3 353.382 2.918 20 0 FEADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000523562031 562215311 /nfs/dbraw/zinc/21/53/11/562215311.db2.gz OHDNBWKHGRNKJJ-INIZCTEOSA-N -2 3 367.405 2.213 20 0 FEADHL CC1(C)Cc2ccc(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)c([O-])c2O1 ZINC000408410338 558674824 /nfs/dbraw/zinc/67/48/24/558674824.db2.gz OGOUMQVNCWXUTQ-LLVKDONJSA-N -2 3 359.382 2.214 20 0 FEADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)CC(C)(C)C1 ZINC000408492983 558683640 /nfs/dbraw/zinc/68/36/40/558683640.db2.gz AVDRGBRXJXNUGO-GHMZBOCLSA-N -2 3 350.444 2.225 20 0 FEADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000408503497 558685094 /nfs/dbraw/zinc/68/50/94/558685094.db2.gz SOJZKGOUCMEHDS-FPMFFAJLSA-N -2 3 362.455 2.369 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1)C(F)F ZINC000414322847 559156069 /nfs/dbraw/zinc/15/60/69/559156069.db2.gz HOYJPWVSNQAKIA-VIFPVBQESA-N -2 3 372.187 2.469 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)c(Br)c1 ZINC000414322587 559156114 /nfs/dbraw/zinc/15/61/14/559156114.db2.gz HFGYQWSFBZZRPN-VHSXEESVSA-N -2 3 366.208 2.316 20 0 FEADHL CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)o1 ZINC000414346238 559157804 /nfs/dbraw/zinc/15/78/04/559157804.db2.gz UGPFYCMUPCOIGQ-UHFFFAOYSA-N -2 3 358.803 2.457 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)ccc1C(=O)[O-] ZINC000436731040 559950200 /nfs/dbraw/zinc/95/02/00/559950200.db2.gz ZPLNJJVGKCTHEY-UHFFFAOYSA-N -3 3 365.363 2.206 20 0 FEADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2CCOc3cc(F)ccc32)c1 ZINC000436820939 559953121 /nfs/dbraw/zinc/95/31/21/559953121.db2.gz JDCTXCZXBLHENC-UHFFFAOYSA-N -2 3 367.354 2.126 20 0 FEADHL O=S(=O)([N-]Cc1ccc([O-])c(Br)c1)c1cncc(F)c1 ZINC000443502790 560085736 /nfs/dbraw/zinc/08/57/36/560085736.db2.gz QKAIMWPCJQUVEW-UHFFFAOYSA-N -2 3 361.192 2.167 20 0 FEADHL COc1c(C)cnc(Cn2cnc(=NC(=O)c3ccc([O-])c(C)c3)[n-]2)c1C ZINC000447699413 560167319 /nfs/dbraw/zinc/16/73/19/560167319.db2.gz PLDBDOATHRKCFK-UHFFFAOYSA-N -2 3 367.409 2.613 20 0 FEADHL CO[C@H](CS(=O)(=O)[N-]c1n[n-]c(SC(C)C)n1)c1ccccc1 ZINC000450975590 560280864 /nfs/dbraw/zinc/28/08/64/560280864.db2.gz XSLNBODVDSLMRF-GFCCVEGCSA-N -2 3 356.473 2.435 20 0 FEADHL COc1ccccc1S(=O)(=O)[N-]c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000460843465 560753244 /nfs/dbraw/zinc/75/32/44/560753244.db2.gz WWDJRKYDTGTYKU-UHFFFAOYSA-N -2 3 370.452 2.176 20 0 FEADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc4n[nH]nc4c3)c1)CCCC2 ZINC000474413884 561073529 /nfs/dbraw/zinc/07/35/29/561073529.db2.gz PSCPTUNDXLMKRI-UHFFFAOYSA-N -2 3 372.406 2.336 20 0 FEADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc4[nH]nnc4c3)c1)CCCC2 ZINC000474413884 561073530 /nfs/dbraw/zinc/07/35/30/561073530.db2.gz PSCPTUNDXLMKRI-UHFFFAOYSA-N -2 3 372.406 2.336 20 0 FEADHL CO[C@@H](C)c1nc(=NC(=O)c2cc([O-])cc(Br)c2)s[n-]1 ZINC000530269778 562404870 /nfs/dbraw/zinc/40/48/70/562404870.db2.gz YJOBEKOIEPTICY-LURJTMIESA-N -2 3 358.217 2.388 20 0 FEADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000530744366 562422562 /nfs/dbraw/zinc/42/25/62/562422562.db2.gz PYILVBAFOYOBHB-QMMMGPOBSA-N -2 3 374.622 2.050 20 0 FEADHL Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737345935 598841623 /nfs/dbraw/zinc/84/16/23/598841623.db2.gz AFJSAXCDAIUQFA-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737345935 598841625 /nfs/dbraw/zinc/84/16/25/598841625.db2.gz AFJSAXCDAIUQFA-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)c(F)c(F)c1 ZINC000738342911 599098655 /nfs/dbraw/zinc/09/86/55/599098655.db2.gz SLECFXMGQUPWQK-UHFFFAOYSA-N -2 3 373.291 2.224 20 0 FEADHL C[C@@H](C(=O)[O-])N(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000819889191 597652906 /nfs/dbraw/zinc/65/29/06/597652906.db2.gz MUAXDGQYAVNNCR-SUMWQHHRSA-N -2 3 370.405 2.185 20 0 FEADHL O=S(=O)([N-]c1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738341011 598296601 /nfs/dbraw/zinc/29/66/01/598296601.db2.gz BYTBVAARXZJXSQ-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736424783 598416355 /nfs/dbraw/zinc/41/63/55/598416355.db2.gz SLJSPMMUZIOMOC-SECBINFHSA-N -2 3 371.850 2.151 20 0 FEADHL CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736424783 598416357 /nfs/dbraw/zinc/41/63/57/598416357.db2.gz SLJSPMMUZIOMOC-SECBINFHSA-N -2 3 371.850 2.151 20 0 FEADHL CC(C)(C)CCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000735604311 598784174 /nfs/dbraw/zinc/78/41/74/598784174.db2.gz UZINTYOXCLUMFS-UHFFFAOYSA-N -2 3 365.459 2.029 20 0 FEADHL CC(C)(C)CCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000735604311 598784176 /nfs/dbraw/zinc/78/41/76/598784176.db2.gz UZINTYOXCLUMFS-UHFFFAOYSA-N -2 3 365.459 2.029 20 0 FEADHL C[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322994 599299080 /nfs/dbraw/zinc/29/90/80/599299080.db2.gz VOMJEFWZHPHBMM-LBPRGKRZSA-N -2 3 357.414 2.469 20 0 FEADHL C[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322994 599299082 /nfs/dbraw/zinc/29/90/82/599299082.db2.gz VOMJEFWZHPHBMM-LBPRGKRZSA-N -2 3 357.414 2.469 20 0 FEADHL CC(=O)c1ccc([O-])c(CCOC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000819833010 599658580 /nfs/dbraw/zinc/65/85/80/599658580.db2.gz FFVGIGYFVZCWPE-UHFFFAOYSA-N -2 3 358.379 2.236 20 0 FEADHL CS(=O)(=O)[N-]c1cc(C(=O)OCc2cccc(C(=O)[O-])c2)ccc1F ZINC000738164692 599748777 /nfs/dbraw/zinc/74/87/77/599748777.db2.gz XFNIRDLODITLRX-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL COc1ccc(OCCS(=O)(=O)[N-]c2ccsc2C(=O)[O-])cc1 ZINC000738048948 600679763 /nfs/dbraw/zinc/67/97/63/600679763.db2.gz LFTYAULUZYYCIE-UHFFFAOYSA-N -2 3 357.409 2.276 20 0 FEADHL CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000318653031 601238768 /nfs/dbraw/zinc/23/87/68/601238768.db2.gz XUEHUFHCAICVLD-SFYZADRCSA-N -2 3 351.396 2.225 20 0 FEADHL Cc1nc(C)c(Cc2nc(COc3cccc(C(=O)[O-])c3)no2)c(=O)[n-]1 ZINC000832995804 601365444 /nfs/dbraw/zinc/36/54/44/601365444.db2.gz JOTZSZQKSFWYSY-UHFFFAOYSA-N -2 3 356.338 2.050 20 0 FEADHL CCc1noc(CC)c1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000584289637 601585716 /nfs/dbraw/zinc/58/57/16/601585716.db2.gz YPJCCASBVUZZHO-UHFFFAOYSA-N -2 3 374.440 2.046 20 0 FEADHL O=C([O-])CCC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000659772396 601823372 /nfs/dbraw/zinc/82/33/72/601823372.db2.gz JIWDMNADWUBCDI-INIZCTEOSA-N -2 3 374.437 2.100 20 0 FEADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000831391388 601855845 /nfs/dbraw/zinc/85/58/45/601855845.db2.gz YJPQBOGMZVWPIH-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826189701 607532753 /nfs/dbraw/zinc/53/27/53/607532753.db2.gz BQLYUQFJXCKOOQ-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826189701 607532755 /nfs/dbraw/zinc/53/27/55/607532755.db2.gz BQLYUQFJXCKOOQ-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000827097629 601968305 /nfs/dbraw/zinc/96/83/05/601968305.db2.gz UQGMMHSNQDEYHH-AWEZNQCLSA-N -2 3 371.455 2.171 20 0 FEADHL CC(C)[C@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC000827097271 601968499 /nfs/dbraw/zinc/96/84/99/601968499.db2.gz IANHQZYADMGZSN-AWEZNQCLSA-N -2 3 371.455 2.171 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc(C(=O)[O-])c1F ZINC000763274704 601983297 /nfs/dbraw/zinc/98/32/97/601983297.db2.gz IOINJDROXGTEPJ-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739038962 601994433 /nfs/dbraw/zinc/99/44/33/601994433.db2.gz LWULUXYJICIAFY-DTWKUNHWSA-N -2 3 352.865 2.458 20 0 FEADHL O=C([O-])N(CCC[N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CC1 ZINC000740490729 602315101 /nfs/dbraw/zinc/31/51/01/602315101.db2.gz YOJWEJNIPZBQHP-UHFFFAOYSA-N -2 3 350.799 2.290 20 0 FEADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2cccc3c2COC3=O)c1 ZINC000740703695 602653488 /nfs/dbraw/zinc/65/34/88/602653488.db2.gz PMRNBZGKFRDXOK-UHFFFAOYSA-N -2 3 366.326 2.387 20 0 FEADHL C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(NC(=O)[O-])cc2[O-])C[C@H](C)O1 ZINC000739172282 602842505 /nfs/dbraw/zinc/84/25/05/602842505.db2.gz DEUQPWATOKGBAV-TXEJJXNPSA-N -2 3 365.430 2.100 20 0 FEADHL O=C([O-])N1CCCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000740519106 602869684 /nfs/dbraw/zinc/86/96/84/602869684.db2.gz MJLXWDSWKVCNFD-SNVBAGLBSA-N -2 3 350.799 2.290 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N[C@H](CNC(=O)[O-])C3CC3)cc2)cc(=O)[n-]1 ZINC000740206930 603074242 /nfs/dbraw/zinc/07/42/42/603074242.db2.gz HNZDBRIDWZYYDS-OAHLLOKOSA-N -2 3 371.397 2.325 20 0 FEADHL O=C([O-])NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000832480789 603128743 /nfs/dbraw/zinc/12/87/43/603128743.db2.gz AQUMDRDBQPAZAH-LDYMZIIASA-N -2 3 350.799 2.194 20 0 FEADHL O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)c1ccccc1 ZINC000832140651 603143771 /nfs/dbraw/zinc/14/37/71/603143771.db2.gz MLNDTHCTJWHOKJ-NSHDSACASA-N -2 3 355.803 2.022 20 0 FEADHL O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000739927212 603239141 /nfs/dbraw/zinc/23/91/41/603239141.db2.gz ODGYKTDTBSNFHT-QMMMGPOBSA-N -2 3 353.227 2.414 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)NC(=O)[O-] ZINC000824011360 603471682 /nfs/dbraw/zinc/47/16/82/603471682.db2.gz IYFQOVFIKYCKJI-UHFFFAOYSA-N -2 3 355.441 2.135 20 0 FEADHL C[C@@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824711459 604315763 /nfs/dbraw/zinc/31/57/63/604315763.db2.gz WZEHBJILKHEXSF-RYUDHWBXSA-N -2 3 358.402 2.221 20 0 FEADHL CC(C)(C(=O)[O-])[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000826091107 604707198 /nfs/dbraw/zinc/70/71/98/604707198.db2.gz ZXVNDTFHGLBBAN-KRWDZBQOSA-N -2 3 370.405 2.090 20 0 FEADHL CCc1ccc(C(C)(C)C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])cc1 ZINC000833671353 605045117 /nfs/dbraw/zinc/04/51/17/605045117.db2.gz XGMIEHIXPKPDHN-UHFFFAOYSA-N -2 3 365.455 2.235 20 0 FEADHL C[C@]1([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCCC[C@@H]1C(=O)[O-] ZINC000833568306 605245339 /nfs/dbraw/zinc/24/53/39/605245339.db2.gz CWAUALIQBHUWKN-OTYXRUKQSA-N -2 3 351.346 2.416 20 0 FEADHL O=C(CN1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1)[N-]OCc1ccccc1 ZINC000834008228 605807531 /nfs/dbraw/zinc/80/75/31/605807531.db2.gz TVFSFKODMZEOTF-SJORKVTESA-N -2 3 361.442 2.089 20 0 FEADHL O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)c([O-])c(F)c1 ZINC000823414369 606311541 /nfs/dbraw/zinc/31/15/41/606311541.db2.gz WBRKKMCDPXMXMQ-UHFFFAOYSA-N -2 3 350.256 2.347 20 0 FEADHL O=S(=O)([N-]c1cc(Cl)ccn1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823583353 606607620 /nfs/dbraw/zinc/60/76/20/606607620.db2.gz OUOQJHVPGFJIDC-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1cc(Cl)ccn1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823583353 606607622 /nfs/dbraw/zinc/60/76/22/606607622.db2.gz OUOQJHVPGFJIDC-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2ccc(-c3nnn[n-]3)s2)c(C(=O)[O-])c1 ZINC000825565705 608386449 /nfs/dbraw/zinc/38/64/49/608386449.db2.gz XSJMQYNXPONTNZ-HWKANZROSA-N -2 3 371.378 2.369 20 0 FEADHL O=S(=O)([N-]c1cc(C(F)(F)F)ccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826492388 609522831 /nfs/dbraw/zinc/52/28/31/609522831.db2.gz HYZRBELWTMFXGK-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL O=S(=O)([N-]c1cc(C(F)(F)F)ccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826492388 609522833 /nfs/dbraw/zinc/52/28/33/609522833.db2.gz HYZRBELWTMFXGK-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826291890 609528793 /nfs/dbraw/zinc/52/87/93/609528793.db2.gz ZWCVQZOGRVPTDB-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826291890 609528796 /nfs/dbraw/zinc/52/87/96/609528796.db2.gz ZWCVQZOGRVPTDB-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000811682285 674620244 /nfs/dbraw/zinc/62/02/44/674620244.db2.gz UFCUJSKGKPVNEL-RNFRBKRXSA-N -2 3 356.227 2.393 20 0 FEADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000562982575 674830632 /nfs/dbraw/zinc/83/06/32/674830632.db2.gz QOSMGKHJNSCFAV-ONGXEEELSA-N -2 3 366.361 2.412 20 0 FEADHL Cc1ccc(F)c(S(=O)(=O)[N-][N-]C(=O)c2ccc3ccccc3n2)c1 ZINC000055546241 670351964 /nfs/dbraw/zinc/35/19/64/670351964.db2.gz XVRCLUURJYEPLD-UHFFFAOYSA-N -2 3 359.382 2.306 20 0 FEADHL O=C(CCOc1ccccc1)[N-][N-]S(=O)(=O)c1ccccc1Cl ZINC000060838674 670389668 /nfs/dbraw/zinc/38/96/68/670389668.db2.gz HYXJWIUGNCLXBE-UHFFFAOYSA-N -2 3 354.815 2.119 20 0 FEADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)on1 ZINC000565889868 675158721 /nfs/dbraw/zinc/15/87/21/675158721.db2.gz JBOAZEFHQBXAGS-UHFFFAOYSA-N -2 3 353.400 2.150 20 0 FEADHL CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000574808130 671278545 /nfs/dbraw/zinc/27/85/45/671278545.db2.gz TVPMXBSYBYKSQU-UHFFFAOYSA-N -2 3 353.396 2.459 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-]Cc2ccc(OCCCC(=O)[O-])cc2)s1 ZINC000574874058 671282810 /nfs/dbraw/zinc/28/28/10/671282810.db2.gz JYQIQICQXCMLJQ-UHFFFAOYSA-N -2 3 370.452 2.174 20 0 FEADHL COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000575284403 671307901 /nfs/dbraw/zinc/30/79/01/671307901.db2.gz PGRFMAMKTHYDRZ-NSHDSACASA-N -2 3 353.396 2.459 20 0 FEADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000575634922 671315478 /nfs/dbraw/zinc/31/54/78/671315478.db2.gz GMLCPTWZIAKTTA-BYPYZUCNSA-N -2 3 353.290 2.154 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000575745087 671317618 /nfs/dbraw/zinc/31/76/18/671317618.db2.gz GNIQGCUVTSZNIS-WFASDCNBSA-N -2 3 365.407 2.424 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2Cl)C(=O)[O-])o1 ZINC000576111959 671345059 /nfs/dbraw/zinc/34/50/59/671345059.db2.gz RBVCRAMGKYOBGW-GFCCVEGCSA-N -2 3 357.815 2.463 20 0 FEADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000576404427 671366445 /nfs/dbraw/zinc/36/64/45/671366445.db2.gz KSPGIVSMUHZXKC-QMMMGPOBSA-N -2 3 354.350 2.268 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000577866406 671625497 /nfs/dbraw/zinc/62/54/97/671625497.db2.gz MHMZXVVRJHIYCZ-RYUDHWBXSA-N -2 3 368.436 2.040 20 0 FEADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)n1 ZINC000579600711 671747538 /nfs/dbraw/zinc/74/75/38/671747538.db2.gz VMUNOTOORRXDJQ-SECBINFHSA-N -2 3 353.400 2.239 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCCCC(=O)[O-])c(F)cc1Br ZINC000580168294 671787527 /nfs/dbraw/zinc/78/75/27/671787527.db2.gz UTDIZLQZAZKRLE-UHFFFAOYSA-N -2 3 368.224 2.430 20 0 FEADHL CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCO1 ZINC000581129393 671866763 /nfs/dbraw/zinc/86/67/63/671866763.db2.gz UFKQUVVWOHGHME-GHMZBOCLSA-N -2 3 362.473 2.103 20 0 FEADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000581760936 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559527020 /nfs/dbraw/zinc/52/70/20/559527020.db2.gz KIXJUOVVRXJSPX-GFCCVEGCSA-N -2 3 359.444 2.290 20 0 FEADHL CCC(CC)(C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000424368778 559662165 /nfs/dbraw/zinc/66/21/65/559662165.db2.gz QLOYQSNJZKSWAC-UHFFFAOYSA-N -2 3 354.350 2.270 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1F ZINC000436153443 559936319 /nfs/dbraw/zinc/93/63/19/559936319.db2.gz LNZBRYKLVPSGEM-UHFFFAOYSA-N -2 3 367.354 2.102 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000436480259 559942510 /nfs/dbraw/zinc/94/25/10/559942510.db2.gz YDXYARDCCMHWFG-UHFFFAOYSA-N -2 3 351.380 2.297 20 0 FEADHL COc1ccc(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)c([O-])c1 ZINC000436756190 559950934 /nfs/dbraw/zinc/95/09/34/559950934.db2.gz QHSNHBWFTZCBAQ-UHFFFAOYSA-N -2 3 366.395 2.033 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)ccc1[O-] ZINC000436811708 559952954 /nfs/dbraw/zinc/95/29/54/559952954.db2.gz JTLKOABJSCINEB-UHFFFAOYSA-N -2 3 366.395 2.162 20 0 FEADHL CCC[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1nnn[n-]1 ZINC000447503556 560163438 /nfs/dbraw/zinc/16/34/38/560163438.db2.gz DVQSONULCSJEQK-LLVKDONJSA-N -2 3 361.793 2.016 20 0 FEADHL CCC[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1nn[n-]n1 ZINC000447503556 560163439 /nfs/dbraw/zinc/16/34/39/560163439.db2.gz DVQSONULCSJEQK-LLVKDONJSA-N -2 3 361.793 2.016 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)CCC1 ZINC000461345432 560767384 /nfs/dbraw/zinc/76/73/84/560767384.db2.gz BMUYDAVDULREIA-LBPRGKRZSA-N -2 3 369.439 2.350 20 0 FEADHL COC(=O)[C@H](C)CS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000464843614 560853248 /nfs/dbraw/zinc/85/32/48/560853248.db2.gz WXNFTUBKODXPJK-ZCFIWIBFSA-N -2 3 370.210 2.242 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2nncn2C)c1 ZINC000466333944 560884511 /nfs/dbraw/zinc/88/45/11/560884511.db2.gz XHQSUNWOYLTELX-UHFFFAOYSA-N -2 3 372.406 2.290 20 0 FEADHL C[C@H]1OCC[C@H]1S(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-] ZINC000530143742 562399776 /nfs/dbraw/zinc/39/97/76/562399776.db2.gz QDMAWXSBWHBDIU-GMSGAONNSA-N -2 3 364.217 2.066 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)c(C)c1C(=O)[O-] ZINC000534234304 562528205 /nfs/dbraw/zinc/52/82/05/562528205.db2.gz CWSRJZMSDRWXLL-UHFFFAOYSA-N -2 3 353.371 2.434 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(OC)c2)c1 ZINC000537195440 562587508 /nfs/dbraw/zinc/58/75/08/562587508.db2.gz XRMWTJFSOBMMOQ-UHFFFAOYSA-N -2 3 366.395 2.169 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)c1 ZINC000537196533 562587517 /nfs/dbraw/zinc/58/75/17/562587517.db2.gz VXWGVZGBSSEEAP-UHFFFAOYSA-N -2 3 359.407 2.446 20 0 FEADHL COc1cccc(C[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1OC ZINC000545555828 562628755 /nfs/dbraw/zinc/62/87/55/562628755.db2.gz NYHJCLRLULXIJB-UHFFFAOYSA-N -2 3 369.395 2.090 20 0 FEADHL O=S(=O)([N-]c1cnc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738338959 598841940 /nfs/dbraw/zinc/84/19/40/598841940.db2.gz KUUQXCNLPRDZIU-UHFFFAOYSA-N -2 3 370.369 2.355 20 0 FEADHL O=S(=O)([N-]c1cnc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738338959 598841942 /nfs/dbraw/zinc/84/19/42/598841942.db2.gz KUUQXCNLPRDZIU-UHFFFAOYSA-N -2 3 370.369 2.355 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738345442 598608172 /nfs/dbraw/zinc/60/81/72/598608172.db2.gz MMBFPANOTCVASK-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738345442 598608174 /nfs/dbraw/zinc/60/81/74/598608174.db2.gz MMBFPANOTCVASK-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322997 599299177 /nfs/dbraw/zinc/29/91/77/599299177.db2.gz VPZKGRDGOZATGY-GFCCVEGCSA-N -2 3 357.414 2.469 20 0 FEADHL C[C@@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322997 599299179 /nfs/dbraw/zinc/29/91/79/599299179.db2.gz VPZKGRDGOZATGY-GFCCVEGCSA-N -2 3 357.414 2.469 20 0 FEADHL O=C(CCCC1CCCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822954947 599620067 /nfs/dbraw/zinc/62/00/67/599620067.db2.gz GJPTYUAXGOYKPI-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL O=C(CCCC1CCCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822954947 599620068 /nfs/dbraw/zinc/62/00/68/599620068.db2.gz GJPTYUAXGOYKPI-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(C(=O)[O-])o1 ZINC000736690105 599748702 /nfs/dbraw/zinc/74/87/02/599748702.db2.gz MBJJKWZVQUZGKP-QMMMGPOBSA-N -2 3 371.342 2.406 20 0 FEADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)C(=O)[O-])cc1 ZINC000738569141 600170434 /nfs/dbraw/zinc/17/04/34/600170434.db2.gz DIHNQAAEXRIJNJ-CYBMUJFWSA-N -2 3 355.362 2.420 20 0 FEADHL CN(Cc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1)C(=O)[O-] ZINC000737480048 600330314 /nfs/dbraw/zinc/33/03/14/600330314.db2.gz FPIBAKUTCMFBOT-UHFFFAOYSA-N -2 3 368.349 2.324 20 0 FEADHL O=C([O-])CCc1nc(CO[N-]C(=O)Cc2cccc3ccccc32)no1 ZINC000739775179 600428365 /nfs/dbraw/zinc/42/83/65/600428365.db2.gz OMTHXIZQISBATO-UHFFFAOYSA-N -2 3 355.350 2.031 20 0 FEADHL CN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(C)(C)C(=O)[O-] ZINC000583907181 600537496 /nfs/dbraw/zinc/53/74/96/600537496.db2.gz XHMKDWJIWLIEFR-UHFFFAOYSA-N -2 3 367.199 2.226 20 0 FEADHL Cc1nc(C)c(CCC(=O)N(CCC(=O)[O-])c2cccc(F)c2)c(=O)[n-]1 ZINC000738846392 601028860 /nfs/dbraw/zinc/02/88/60/601028860.db2.gz AJYCVYLFVFRDBV-UHFFFAOYSA-N -2 3 361.373 2.379 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000833026775 601222834 /nfs/dbraw/zinc/22/28/34/601222834.db2.gz KLCIXRNKVYPLGV-UHFFFAOYSA-N -2 3 362.363 2.420 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc3C2)c1F ZINC000327441492 601229048 /nfs/dbraw/zinc/22/90/48/601229048.db2.gz UPIGTLBEFIBIBE-LBPRGKRZSA-N -2 3 367.373 2.499 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c1F ZINC000391960424 601231698 /nfs/dbraw/zinc/23/16/98/601231698.db2.gz YUWICOQVWPPLDV-JTQLQIEISA-N -2 3 353.346 2.281 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)s1 ZINC000832857972 601444170 /nfs/dbraw/zinc/44/41/70/601444170.db2.gz GPIPOFXFMYFMOJ-UHFFFAOYSA-N -2 3 368.274 2.495 20 0 FEADHL Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc(C)c1OCC(=O)[O-] ZINC000832867237 601684431 /nfs/dbraw/zinc/68/44/31/601684431.db2.gz KPVQWKIDZYHZHP-UHFFFAOYSA-N -2 3 356.338 2.397 20 0 FEADHL O=C([O-])C[C@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCO1 ZINC000833217577 601761552 /nfs/dbraw/zinc/76/15/52/601761552.db2.gz ICLRBLZTKUCNAU-KRWDZBQOSA-N -2 3 369.417 2.493 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCN(C(=O)[O-])C(C)C)cc2)n1 ZINC000740054788 601910310 /nfs/dbraw/zinc/91/03/10/601910310.db2.gz NFCKVBHWUWGGFD-UHFFFAOYSA-N -2 3 358.398 2.462 20 0 FEADHL O=C([O-])N(CCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C1CC1 ZINC000740488463 601982824 /nfs/dbraw/zinc/98/28/24/601982824.db2.gz GEGYVPOXQYMGIU-UHFFFAOYSA-N -2 3 368.242 2.199 20 0 FEADHL CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000826528038 602120273 /nfs/dbraw/zinc/12/02/73/602120273.db2.gz DLUGBHNKWHYMFJ-UHFFFAOYSA-N -2 3 373.431 2.151 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccccc2)c(Br)o1 ZINC000055313130 602140236 /nfs/dbraw/zinc/14/02/36/602140236.db2.gz QIQGMGLHZIXYKW-UHFFFAOYSA-N -2 3 360.185 2.219 20 0 FEADHL O=C([O-])N1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000740516176 602316427 /nfs/dbraw/zinc/31/64/27/602316427.db2.gz MJJIEABUMANMDL-JTQLQIEISA-N -2 3 350.799 2.290 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3CCN(C(=O)[O-])C[C@@H]3C)cc2)cc(=O)[n-]1 ZINC000740210371 602745063 /nfs/dbraw/zinc/74/50/63/602745063.db2.gz TUBZKEUIYXVDBJ-NSHDSACASA-N -2 3 371.397 2.374 20 0 FEADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H]3CCCN(C(=O)[O-])C3)c2)n1 ZINC000829893895 603473661 /nfs/dbraw/zinc/47/36/61/603473661.db2.gz KRVUZQCTDLFXPU-CYBMUJFWSA-N -2 3 357.366 2.453 20 0 FEADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H]3CSCN3C(=O)[O-])c2)n1 ZINC000829894586 603473674 /nfs/dbraw/zinc/47/36/74/603473674.db2.gz URELMSUWLBKGJA-LBPRGKRZSA-N -2 3 361.379 2.116 20 0 FEADHL CCc1cccc(C(=O)N2CCC(OCCCNC(=O)[O-])CC2)c1[O-] ZINC000827595478 603546564 /nfs/dbraw/zinc/54/65/64/603546564.db2.gz LRTVNAZKZBACHF-UHFFFAOYSA-N -2 3 350.415 2.234 20 0 FEADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)s1 ZINC000824135516 607654329 /nfs/dbraw/zinc/65/43/29/607654329.db2.gz FXZBGKIZPGUASG-UHFFFAOYSA-N -2 3 364.456 2.422 20 0 FEADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)s1 ZINC000824135516 607654331 /nfs/dbraw/zinc/65/43/31/607654331.db2.gz FXZBGKIZPGUASG-UHFFFAOYSA-N -2 3 364.456 2.422 20 0 FEADHL O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)C1 ZINC000832296169 603916444 /nfs/dbraw/zinc/91/64/44/603916444.db2.gz JMALOGHDZUANQC-HTQZYQBOSA-N -2 3 351.313 2.125 20 0 FEADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@]3(F)CCN(C(=O)[O-])C3)c2)n1 ZINC000827557448 603978510 /nfs/dbraw/zinc/97/85/10/603978510.db2.gz UIAFEQYIBINCGJ-GOSISDBHSA-N -2 3 374.372 2.442 20 0 FEADHL C[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824697158 604295142 /nfs/dbraw/zinc/29/51/42/604295142.db2.gz ZSEFIAWHOUYEHS-AAEUAGOBSA-N -2 3 358.402 2.221 20 0 FEADHL C[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824697158 604295144 /nfs/dbraw/zinc/29/51/44/604295144.db2.gz ZSEFIAWHOUYEHS-AAEUAGOBSA-N -2 3 358.402 2.221 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CNC(=O)[O-])C1CC1 ZINC000829884098 604479507 /nfs/dbraw/zinc/47/95/07/604479507.db2.gz MGXHGNWYWHSFQD-GFCCVEGCSA-N -2 3 356.375 2.205 20 0 FEADHL Cc1nc(C)c(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])c(=O)[n-]1 ZINC000833754808 605026743 /nfs/dbraw/zinc/02/67/43/605026743.db2.gz JONPJDCAJMMPOO-ZDUSSCGKSA-N -2 3 357.410 2.234 20 0 FEADHL COCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000833725682 605042088 /nfs/dbraw/zinc/04/20/88/605042088.db2.gz FXSVUKOSXPHXMY-UHFFFAOYSA-N -2 3 351.380 2.097 20 0 FEADHL C[C@@]1(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CCCc2ccccc21 ZINC000567792458 605058812 /nfs/dbraw/zinc/05/88/12/605058812.db2.gz HWGCXWGKJTWHAZ-INIZCTEOSA-N -2 3 366.464 2.414 20 0 FEADHL O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cn3[n-]c(-c4ccccn4)nc3=S)C[C@@H]21 ZINC000834186156 605329442 /nfs/dbraw/zinc/32/94/42/605329442.db2.gz VJNRYNZCMOXPFD-FRRDWIJNSA-N -2 3 374.470 2.328 20 0 FEADHL C[C@@]1(C(=O)NCc2ccc([O-])c(Br)c2)CCN(C(=O)[O-])C1 ZINC000825673314 605413231 /nfs/dbraw/zinc/41/32/31/605413231.db2.gz OXCYXFPOSOZMRQ-CQSZACIVSA-N -2 3 357.204 2.161 20 0 FEADHL O=C([O-])N1CCC[C@H]1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000831335061 605415229 /nfs/dbraw/zinc/41/52/29/605415229.db2.gz PMDRSUBUEFUZQA-JTQLQIEISA-N -2 3 357.204 2.303 20 0 FEADHL O=C([O-])N[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000832114283 605572326 /nfs/dbraw/zinc/57/23/26/605572326.db2.gz XNWJCCVRNSCTFQ-AWEZNQCLSA-N -2 3 352.354 2.204 20 0 FEADHL O=C([O-])N[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000832114283 605572328 /nfs/dbraw/zinc/57/23/28/605572328.db2.gz XNWJCCVRNSCTFQ-AWEZNQCLSA-N -2 3 352.354 2.204 20 0 FEADHL O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000834149771 605805917 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559883225 /nfs/dbraw/zinc/88/32/25/559883225.db2.gz SWBBYTUVUCLTRU-UHFFFAOYSA-N -4 3 365.363 2.206 20 0 FEADHL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433504798 559883341 /nfs/dbraw/zinc/88/33/41/559883341.db2.gz AKYUIIHUUBUGGV-UHFFFAOYSA-N -3 3 355.343 2.429 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc([C@H]2CNC(=O)C2)c1 ZINC000435143000 559917044 /nfs/dbraw/zinc/91/70/44/559917044.db2.gz KYHJLVFGIZIEFC-CQSZACIVSA-N -2 3 374.418 2.098 20 0 FEADHL O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1ccc(F)cc1[O-] ZINC000436544704 559944968 /nfs/dbraw/zinc/94/49/68/559944968.db2.gz PNYGELBGLWGHTC-UHFFFAOYSA-N -2 3 358.369 2.272 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C)ccc1[O-] ZINC000436837984 559953817 /nfs/dbraw/zinc/95/38/17/559953817.db2.gz JAANECOURLCDEM-UHFFFAOYSA-N -2 3 367.427 2.141 20 0 FEADHL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c(C)c(OC)c1 ZINC000443416535 560083506 /nfs/dbraw/zinc/08/35/06/560083506.db2.gz IPTNLGVHQXCUNC-UHFFFAOYSA-N -3 3 367.379 2.217 20 0 FEADHL O=C(Cc1ccc(Br)cc1[O-])N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000444745292 560119411 /nfs/dbraw/zinc/11/94/11/560119411.db2.gz UENWYVRBRJYVCU-UHFFFAOYSA-N -2 3 364.121 3.078 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3ccc(=O)n(C)c3c2)c1 ZINC000447273524 560159251 /nfs/dbraw/zinc/15/92/51/560159251.db2.gz IGAFRDXHNJMQPF-UHFFFAOYSA-N -2 3 360.391 2.054 20 0 FEADHL CSc1cccc(F)c1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000467127361 560904115 /nfs/dbraw/zinc/90/41/15/560904115.db2.gz VIJBPZAOXRTJJP-UHFFFAOYSA-N -2 3 362.433 2.023 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cccc2cccnc21 ZINC000476346874 561117217 /nfs/dbraw/zinc/11/72/17/561117217.db2.gz IOHCIOLIJMWZHM-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cccc2cccnc21 ZINC000476346874 561117218 /nfs/dbraw/zinc/11/72/18/561117218.db2.gz IOHCIOLIJMWZHM-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000530371180 562408667 /nfs/dbraw/zinc/40/86/67/562408667.db2.gz GQVJNGUVTVFWCI-SNVBAGLBSA-N -2 3 352.334 2.022 20 0 FEADHL CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000537195617 562587458 /nfs/dbraw/zinc/58/74/58/562587458.db2.gz LMVFENVAKRGJID-UHFFFAOYSA-N -2 3 374.422 2.480 20 0 FEADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000541910331 562623087 /nfs/dbraw/zinc/62/30/87/562623087.db2.gz YHFXIZSRHPQKEA-MRVPVSSYSA-N -2 3 368.224 2.223 20 0 FEADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)N(C)c1ccccc1 ZINC000546263534 562635599 /nfs/dbraw/zinc/63/55/99/562635599.db2.gz REHBTECUMASXMN-LBPRGKRZSA-N -2 3 366.414 2.327 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736647267 598841465 /nfs/dbraw/zinc/84/14/65/598841465.db2.gz OGBKBDRTBWUXRT-UHFFFAOYSA-N -2 3 363.374 2.205 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736647267 598841466 /nfs/dbraw/zinc/84/14/66/598841466.db2.gz OGBKBDRTBWUXRT-UHFFFAOYSA-N -2 3 363.374 2.205 20 0 FEADHL CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736699288 598845198 /nfs/dbraw/zinc/84/51/98/598845198.db2.gz MDEMABZWLFGPJA-UHFFFAOYSA-N -2 3 358.427 2.187 20 0 FEADHL CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736699288 598845199 /nfs/dbraw/zinc/84/51/99/598845199.db2.gz MDEMABZWLFGPJA-UHFFFAOYSA-N -2 3 358.427 2.187 20 0 FEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000737225972 598950287 /nfs/dbraw/zinc/95/02/87/598950287.db2.gz WQACWDKCHDAZID-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000737225972 598950288 /nfs/dbraw/zinc/95/02/88/598950288.db2.gz WQACWDKCHDAZID-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL O=S(=O)([N-]c1cc(Cl)c(Cl)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000823583308 599234380 /nfs/dbraw/zinc/23/43/80/599234380.db2.gz MEWQIKXZXCTHJD-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1cc(Cl)c(Cl)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000823583308 599234382 /nfs/dbraw/zinc/23/43/82/599234382.db2.gz MEWQIKXZXCTHJD-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c([O-])c1 ZINC000738260249 599815891 /nfs/dbraw/zinc/81/58/91/599815891.db2.gz LHNLLULCSBNQAN-MRXNPFEDSA-N -2 3 370.405 2.153 20 0 FEADHL CN(Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC000737487008 600300371 /nfs/dbraw/zinc/30/03/71/600300371.db2.gz ZPNHTRPOJOOVGH-UHFFFAOYSA-N -3 3 364.379 2.295 20 0 FEADHL CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000325113721 600359559 /nfs/dbraw/zinc/35/95/59/600359559.db2.gz JLRLTVZCSTVHSF-UHFFFAOYSA-N -2 3 352.387 2.386 20 0 FEADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2cccnc2Cl)C(=O)[O-])cc1 ZINC000738569861 600444988 /nfs/dbraw/zinc/44/49/88/600444988.db2.gz VAAGTQQVZAVNMX-LBPRGKRZSA-N -2 3 354.815 2.190 20 0 FEADHL C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000809150555 674485423 /nfs/dbraw/zinc/48/54/23/674485423.db2.gz IJKKCECHRPCMDY-VFZGTOFNSA-N -2 3 351.355 2.324 20 0 FEADHL O=C([O-])c1ccccc1NC(=O)CO[N-]C(=O)CCCc1ccccc1 ZINC000739235007 600499172 /nfs/dbraw/zinc/49/91/72/600499172.db2.gz DQRXTGLHVBZGBD-UHFFFAOYSA-N -2 3 356.378 2.394 20 0 FEADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000760104457 600699749 /nfs/dbraw/zinc/69/97/49/600699749.db2.gz NLWBZSQMGOXTGN-UHFFFAOYSA-N -2 3 365.249 2.158 20 0 FEADHL COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000567797821 600763671 /nfs/dbraw/zinc/76/36/71/600763671.db2.gz BULJGICJKOHKNV-NSHDSACASA-N -2 3 353.396 2.459 20 0 FEADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000794913665 600764984 /nfs/dbraw/zinc/76/49/84/600764984.db2.gz DJZQLWXMWUJSCN-MRVPVSSYSA-N -2 3 355.243 2.414 20 0 FEADHL Cc1nc(C)c(CC(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)c(=O)[n-]1 ZINC000832994029 600803349 /nfs/dbraw/zinc/80/33/49/600803349.db2.gz ABJBMEAXIKQMGR-AWEZNQCLSA-N -2 3 363.801 2.327 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)COCc2ccccc2)cc1C(=O)[O-] ZINC000833027626 601223400 /nfs/dbraw/zinc/22/34/00/601223400.db2.gz ICRBTEKWOZJJOU-LLVKDONJSA-N -2 3 353.396 2.170 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3C2)c1F ZINC000327441491 601229042 /nfs/dbraw/zinc/22/90/42/601229042.db2.gz UPIGTLBEFIBIBE-GFCCVEGCSA-N -2 3 367.373 2.499 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCOCc2ccccc2)c1F ZINC000389948513 601240142 /nfs/dbraw/zinc/24/01/42/601240142.db2.gz PVLOASKODSJOFF-UHFFFAOYSA-N -2 3 371.361 2.158 20 0 FEADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000831590507 601266693 /nfs/dbraw/zinc/26/66/93/601266693.db2.gz JJRGWDFXEHZJSI-LBPRGKRZSA-N -2 3 373.324 2.003 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(C)o1 ZINC000683313212 601273458 /nfs/dbraw/zinc/27/34/58/601273458.db2.gz NJGXENYUEPXQAN-UHFFFAOYSA-N -2 3 372.786 2.100 20 0 FEADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000032631118 601322618 /nfs/dbraw/zinc/32/26/18/601322618.db2.gz VXENRKDLBRHPAZ-UHFFFAOYSA-N -2 3 369.370 2.350 20 0 FEADHL Cc1cc(F)cc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000738230733 601327109 /nfs/dbraw/zinc/32/71/09/601327109.db2.gz VEBIGOHCHGKWBY-UHFFFAOYSA-N -3 3 371.317 2.470 20 0 FEADHL CCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)ccc1=O ZINC000069147830 601768628 /nfs/dbraw/zinc/76/86/28/601768628.db2.gz GESPIIGRIVXJDT-UHFFFAOYSA-N -2 3 374.777 2.160 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(C(=O)[O-])cc2)cc1F ZINC000548197263 601882630 /nfs/dbraw/zinc/88/26/30/601882630.db2.gz GYJQCJSMSYQEBA-UHFFFAOYSA-N -2 3 355.362 2.492 20 0 FEADHL C[C@@]1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCS1 ZINC000316044871 602117743 /nfs/dbraw/zinc/11/77/43/602117743.db2.gz CEJGXDQIKKBZQZ-ZDUSSCGKSA-N -2 3 351.396 2.227 20 0 FEADHL O=C([O-])NC[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)C1CCCCC1 ZINC000740610899 602491226 /nfs/dbraw/zinc/49/12/26/602491226.db2.gz JBZNESKRLLWDEX-AAGJOFLKSA-N -2 3 357.410 2.104 20 0 FEADHL O=C([O-])NCCOc1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000740666794 602592013 /nfs/dbraw/zinc/59/20/13/602592013.db2.gz AUMKQMZFPBGZFM-UHFFFAOYSA-N -2 3 368.349 2.234 20 0 FEADHL O=C([O-])N1CCC[C@@H](CC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000740508220 602650705 /nfs/dbraw/zinc/65/07/05/602650705.db2.gz ZHPIALDZYPIQJU-VIFPVBQESA-N -2 3 352.865 2.460 20 0 FEADHL O=C([O-])NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000832483348 603130715 /nfs/dbraw/zinc/13/07/15/603130715.db2.gz RLUBRYXPNNTSNW-YUMQZZPRSA-N -2 3 368.242 2.103 20 0 FEADHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000739928063 603239210 /nfs/dbraw/zinc/23/92/10/603239210.db2.gz SLUXCNNENFLJKU-SECBINFHSA-N -2 3 370.324 2.265 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@H](N(C)C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000830684940 604241781 /nfs/dbraw/zinc/24/17/81/604241781.db2.gz DCKAJJLFHIXHCS-AWEZNQCLSA-N -2 3 371.397 2.374 20 0 FEADHL O=C([O-])NC[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000832428903 604276764 /nfs/dbraw/zinc/27/67/64/604276764.db2.gz XQHSJAXLKAAFBL-NSHDSACASA-N -2 3 372.219 2.000 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccncc1 ZINC000833459428 604551711 /nfs/dbraw/zinc/55/17/11/604551711.db2.gz BXGBKJGLZRBIIR-UHFFFAOYSA-N -2 3 370.377 2.314 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCF)c(Br)cc1Cl ZINC000833304870 604656285 /nfs/dbraw/zinc/65/62/85/604656285.db2.gz MZWOPXZNDSXHRV-UHFFFAOYSA-N -2 3 374.615 2.439 20 0 FEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000831934505 604662892 /nfs/dbraw/zinc/66/28/92/604662892.db2.gz NSMILVKHYVOUEQ-SSDOTTSWSA-N -2 3 355.384 2.311 20 0 FEADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000833732620 604692655 /nfs/dbraw/zinc/69/26/55/604692655.db2.gz WMVRARGEJGDHGY-CYBMUJFWSA-N -2 3 359.334 2.075 20 0 FEADHL CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833447438 605021188 /nfs/dbraw/zinc/02/11/88/605021188.db2.gz KILCHPQWGDYTDD-UHFFFAOYSA-N -2 3 370.452 2.497 20 0 FEADHL O=S(=O)([N-]CC1(C2CC2)CCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489287 607744509 /nfs/dbraw/zinc/74/45/09/607744509.db2.gz LRQYQHRINQLQIZ-UHFFFAOYSA-N -2 3 369.397 2.004 20 0 FEADHL O=S(=O)([N-]c1cc(F)ccc1O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823582786 606215587 /nfs/dbraw/zinc/21/55/87/606215587.db2.gz APODNBPFCLEITG-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL O=S(=O)([N-]c1cc(F)ccc1O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823582786 606215588 /nfs/dbraw/zinc/21/55/88/606215588.db2.gz APODNBPFCLEITG-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821042976 606612699 /nfs/dbraw/zinc/61/26/99/606612699.db2.gz JWAQIJIKCVJTJP-UHFFFAOYSA-N -2 3 365.459 2.278 20 0 FEADHL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821042976 606612701 /nfs/dbraw/zinc/61/27/01/606612701.db2.gz JWAQIJIKCVJTJP-UHFFFAOYSA-N -2 3 365.459 2.278 20 0 FEADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822205621 606864937 /nfs/dbraw/zinc/86/49/37/606864937.db2.gz AWUZSNITYAZTKX-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822205621 606864938 /nfs/dbraw/zinc/86/49/38/606864938.db2.gz AWUZSNITYAZTKX-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820981933 606895697 /nfs/dbraw/zinc/89/56/97/606895697.db2.gz XTHSJTNOHJICQV-QPUJVOFHSA-N -2 3 357.386 2.002 20 0 FEADHL Cc1c(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822066399 607251793 /nfs/dbraw/zinc/25/17/93/607251793.db2.gz DZLATJSCMKGHTR-CQSZACIVSA-N -2 3 351.366 2.372 20 0 FEADHL Cc1c(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822066399 607251794 /nfs/dbraw/zinc/25/17/94/607251794.db2.gz DZLATJSCMKGHTR-CQSZACIVSA-N -2 3 351.366 2.372 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1ccccc1-c1nn[n-]n1 ZINC000826492810 607817041 /nfs/dbraw/zinc/81/70/41/607817041.db2.gz FLVAGYKSJIYOFB-UHFFFAOYSA-N -2 3 368.378 2.323 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC000826280268 608095300 /nfs/dbraw/zinc/09/53/00/608095300.db2.gz VESVDGZMDXOERA-UHFFFAOYSA-N -2 3 362.440 2.310 20 0 FEADHL O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826493030 608101575 /nfs/dbraw/zinc/10/15/75/608101575.db2.gz PLKIWPILHHEGRJ-UHFFFAOYSA-N -2 3 370.369 2.355 20 0 FEADHL O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826493030 608101576 /nfs/dbraw/zinc/10/15/76/608101576.db2.gz PLKIWPILHHEGRJ-UHFFFAOYSA-N -2 3 370.369 2.355 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)nc1 ZINC000826291357 609264385 /nfs/dbraw/zinc/26/43/85/609264385.db2.gz BHPNMNCTRVUVSG-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)nc1 ZINC000826291357 609264386 /nfs/dbraw/zinc/26/43/86/609264386.db2.gz BHPNMNCTRVUVSG-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Nc1ccc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c(=O)c3c2)cc1 ZINC000559959771 674561594 /nfs/dbraw/zinc/56/15/94/674561594.db2.gz OTAMQGKPCAUUJT-UHFFFAOYSA-N -2 3 359.363 2.022 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCCCC1 ZINC000562797762 674811291 /nfs/dbraw/zinc/81/12/91/674811291.db2.gz ZXKRGPJBNARXGS-UHFFFAOYSA-N -2 3 352.334 2.166 20 0 FEADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000565654039 675140457 /nfs/dbraw/zinc/14/04/57/675140457.db2.gz JKUBJRIDGLXDRR-FKQCQYRASA-N -2 3 368.636 2.244 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]N=c2c(F)c(F)[n-]c(F)c2F)cc1F ZINC000105386732 670799998 /nfs/dbraw/zinc/79/99/98/670799998.db2.gz NEGHNCPYDOWSEB-UHFFFAOYSA-N -2 3 369.271 2.091 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)[C@H]2COc3ccccc32)cc1C(=O)[O-] ZINC000571162061 670826997 /nfs/dbraw/zinc/82/69/97/670826997.db2.gz ATWOIUSEBFLEFF-NOZJJQNGSA-N -2 3 351.380 2.129 20 0 FEADHL COCCC1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCCCC1 ZINC000571400829 670869618 /nfs/dbraw/zinc/86/96/18/670869618.db2.gz ZYWGJPDOUQSSNT-UHFFFAOYSA-N -2 3 362.473 2.107 20 0 FEADHL COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000572957500 671064795 /nfs/dbraw/zinc/06/47/95/671064795.db2.gz GGLQKOBDMJZQRE-UHFFFAOYSA-N -2 3 370.452 2.150 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000566066415 675177439 /nfs/dbraw/zinc/17/74/39/675177439.db2.gz RGJUSGRXWNGSBH-XJKSGUPXSA-N -2 3 365.407 2.424 20 0 FEADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000566118955 675183087 /nfs/dbraw/zinc/18/30/87/675183087.db2.gz LTYRGCSRYQDBNH-LDYMZIIASA-N -2 3 354.350 2.124 20 0 FEADHL CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000575056695 671295880 /nfs/dbraw/zinc/29/58/80/671295880.db2.gz MYUWUKJOPPFTBU-BDAKNGLRSA-N -2 3 350.487 2.184 20 0 FEADHL C[C@@]1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCCC[C@H]1C(=O)[O-] ZINC000576940069 671406010 /nfs/dbraw/zinc/40/60/10/671406010.db2.gz BNXNMLVFSRYOLK-GXFFZTMASA-N -2 3 366.361 2.412 20 0 FEADHL COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000580190287 671789223 /nfs/dbraw/zinc/78/92/23/671789223.db2.gz KVELLJBLNSZELE-MEBBXXQBSA-N -2 3 369.395 2.041 20 0 FEADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000581285914 671881604 /nfs/dbraw/zinc/88/16/04/671881604.db2.gz RSXAYRKQYINXEV-CYBMUJFWSA-N -2 3 359.325 2.078 20 0 FEADHL COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000582299192 671987245 /nfs/dbraw/zinc/98/72/45/671987245.db2.gz ZGWQFFWGUANSJC-LLVKDONJSA-N -2 3 353.396 2.144 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c1 ZINC000678821739 672445770 /nfs/dbraw/zinc/44/57/70/672445770.db2.gz DCGVLWZDMSWHEJ-UHFFFAOYSA-N -2 3 359.407 2.446 20 0 FEADHL Cn1c2ccc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cc2n(C)c1=O ZINC000182494700 672446714 /nfs/dbraw/zinc/44/67/14/672446714.db2.gz GDTZDGRIHSPLFJ-UHFFFAOYSA-N -2 3 367.814 2.037 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)c(C)c1 ZINC000589148575 672509460 /nfs/dbraw/zinc/50/94/60/672509460.db2.gz GIMYBBNSWCBRCD-UHFFFAOYSA-N -2 3 369.370 2.407 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000684655900 672952604 /nfs/dbraw/zinc/95/26/04/672952604.db2.gz VVOBCKLMLJOELW-MRVPVSSYSA-N -2 3 356.625 2.244 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000507571077 673340712 /nfs/dbraw/zinc/34/07/12/673340712.db2.gz VSKIXGJLGHARFH-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc([S@](C)=O)cc2)oc1C(=O)[O-] ZINC000596090578 673357780 /nfs/dbraw/zinc/35/77/80/673357780.db2.gz ODPKMNWSQTUUHQ-VCGICTTQSA-N -2 3 371.436 2.063 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)c1 ZINC000539398391 673488466 /nfs/dbraw/zinc/48/84/66/673488466.db2.gz CQRFCTQEZUSZPL-UHFFFAOYSA-N -2 3 362.407 2.094 20 0 FEADHL COc1cc(C)ccc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737041462 673548166 /nfs/dbraw/zinc/54/81/66/673548166.db2.gz UIIKWMXMJCTDED-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL O=C([O-])[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000547559149 673863538 /nfs/dbraw/zinc/86/35/38/673863538.db2.gz YFZQALLSXLKACF-PSASIEDQSA-N -2 3 368.238 2.152 20 0 FEADHL Cc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000547571030 673865831 /nfs/dbraw/zinc/86/58/31/673865831.db2.gz UZCQHEGHMSALLB-ZDUSSCGKSA-N -2 3 369.389 2.495 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Cc1ccccn1 ZINC000548200150 673933254 /nfs/dbraw/zinc/93/32/54/673933254.db2.gz DYDUJZZZSIUION-JTQLQIEISA-N -2 3 372.805 2.096 20 0 FEADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000567228058 675276698 /nfs/dbraw/zinc/27/66/98/675276698.db2.gz DUWNYJRUTOHEOK-FKQCQYRASA-N -2 3 368.636 2.244 20 0 FEADHL Cc1ccc(-c2cc(C(=O)N=c3nc(C4CCOCC4)[n-]s3)n[n-]2)o1 ZINC000629100306 676830903 /nfs/dbraw/zinc/83/09/03/676830903.db2.gz OVRFCMRHDAZYDJ-UHFFFAOYSA-N -2 3 359.411 2.398 20 0 FEADHL CCOC1(CS(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])CCOCC1 ZINC000629288834 676841015 /nfs/dbraw/zinc/84/10/15/676841015.db2.gz FKOCFDRMBDASEJ-UHFFFAOYSA-N -2 3 357.428 2.021 20 0 FEADHL CCn1cc(S(=O)(=O)[N-]c2cccc([O-])c2Br)nc1C ZINC000641690402 677214058 /nfs/dbraw/zinc/21/40/58/677214058.db2.gz JHWFFPYOZLDDIA-UHFFFAOYSA-N -2 3 360.233 2.480 20 0 FEADHL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)c1 ZINC000647919055 677308543 /nfs/dbraw/zinc/30/85/43/677308543.db2.gz KBYCVWFKHGRXFM-UHFFFAOYSA-N -3 3 371.754 2.243 20 0 FEADHL COC1(C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C(=O)[O-])CCC1 ZINC000650432029 677374019 /nfs/dbraw/zinc/37/40/19/677374019.db2.gz KYGXBWPDPDEYGM-SNVBAGLBSA-N -2 3 365.810 2.170 20 0 FEADHL CO[C@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])[C@@H]1CCOC1 ZINC000656625149 677790929 /nfs/dbraw/zinc/79/09/29/677790929.db2.gz XELWXHGESAIMKM-NOZJJQNGSA-N -2 3 369.361 2.204 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C1CCC2(CC2(F)F)CC1 ZINC000656728904 677818918 /nfs/dbraw/zinc/81/89/18/677818918.db2.gz QHLBPFQBZAADKF-UHFFFAOYSA-N -2 3 352.384 2.088 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc(C(=O)[O-])c1F ZINC000763280136 680778384 /nfs/dbraw/zinc/77/83/84/680778384.db2.gz JSSXWLDIUYJSGZ-UHFFFAOYSA-N -2 3 364.354 2.128 20 0 FEADHL CC(=O)OCCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000763381214 680781768 /nfs/dbraw/zinc/78/17/68/680781768.db2.gz JSCHILCRMUNIOQ-UHFFFAOYSA-N -2 3 363.391 2.291 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2COc3c2ccc(C)c3C)oc1C(=O)[O-] ZINC000663422114 678734742 /nfs/dbraw/zinc/73/47/42/678734742.db2.gz HSXYTEYDAULAIW-GFCCVEGCSA-N -2 3 351.380 2.315 20 0 FEADHL CC[C@H](C)CO[N-]C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000832727830 680170650 /nfs/dbraw/zinc/17/06/50/680170650.db2.gz YMQZHDRNOBDRSA-VIFPVBQESA-N -2 3 369.270 2.366 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000754862255 680385083 /nfs/dbraw/zinc/38/50/83/680385083.db2.gz KYVYETRXVSEJJF-ZETCQYMHSA-N -2 3 370.652 2.492 20 0 FEADHL CC(C)(CC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)CCC(=O)[O-] ZINC000844786764 681082285 /nfs/dbraw/zinc/08/22/85/681082285.db2.gz DEQRJJRHQGNICU-UHFFFAOYSA-N -2 3 352.815 2.434 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CCOCC1 ZINC000776523201 681399658 /nfs/dbraw/zinc/39/96/58/681399658.db2.gz AELWCUVHXZXYHH-CQSZACIVSA-N -2 3 371.386 2.038 20 0 FEADHL O=C([O-])[C@H](CC[N-]S(=O)(=O)c1cccnc1Cl)Cc1ccccc1 ZINC000780284824 681811142 /nfs/dbraw/zinc/81/11/42/681811142.db2.gz BOHBMJQMQXFRBK-CYBMUJFWSA-N -2 3 368.842 2.347 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)cnc1Cl ZINC000853070776 682371633 /nfs/dbraw/zinc/37/16/33/682371633.db2.gz ACZZPAKIKGHXSD-QMMMGPOBSA-N -2 3 374.768 2.365 20 0 FEADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C(F)F)c1 ZINC000787487212 682459925 /nfs/dbraw/zinc/45/99/25/682459925.db2.gz VGOICGVSWCISLK-UHFFFAOYSA-N -2 3 372.349 2.405 20 0 FEADHL O=C([O-])C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000899944893 690446171 /nfs/dbraw/zinc/44/61/71/690446171.db2.gz DBEXAUOQSDDDCF-KWQFWETISA-N -2 3 368.238 2.152 20 0 FEADHL COc1ccc2c(c1)CCC(S(=O)(=O)[N-]c1n[n-]c(C(F)F)n1)=C2 ZINC000903150547 690856368 /nfs/dbraw/zinc/85/63/68/690856368.db2.gz SXQAOUKITFLUIY-UHFFFAOYSA-N -2 3 356.354 2.480 20 0 FEADHL CO[C@@H](CS(=O)(=O)[N-]c1n[n-]c(C(F)F)n1)c1ccc(F)cc1 ZINC000903150893 690856711 /nfs/dbraw/zinc/85/67/11/690856711.db2.gz ZIORZKBCCDMMFG-VIFPVBQESA-N -2 3 350.322 2.011 20 0 FEADHL C[C@]1(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2F)CC1(Cl)Cl ZINC000905210362 691081535 /nfs/dbraw/zinc/08/15/35/691081535.db2.gz QOJVWHMJSNYGCR-LLVKDONJSA-N -2 3 356.202 2.386 20 0 FEADHL O=C([O-])c1cccc(S(=O)(=O)[N-]CC[C@@H]2CC2(Cl)Cl)c1F ZINC000907054869 691382527 /nfs/dbraw/zinc/38/25/27/691382527.db2.gz WHJMRRZSXGCMNW-SSDOTTSWSA-N -2 3 356.202 2.386 20 0 FEADHL CC(C)(C)c1nc([N-][C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)no1 ZINC000515003320 816058926 /nfs/dbraw/zinc/05/89/26/816058926.db2.gz JUVLVDVOKZVZMJ-CHWSQXEVSA-N -2 3 358.398 2.206 20 0 FEADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000024433489 539731409 /nfs/dbraw/zinc/73/14/09/539731409.db2.gz XCQOEVPRFKNMNH-UHFFFAOYSA-N -2 3 353.327 2.111 20 0 FEADHL COc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1[N-]S(C)(=O)=O ZINC000029817307 539865550 /nfs/dbraw/zinc/86/55/50/539865550.db2.gz DETDHUUBGGZLRO-UHFFFAOYSA-N -2 3 350.396 2.333 20 0 FEADHL COCCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000032631023 539946160 /nfs/dbraw/zinc/94/61/60/539946160.db2.gz DREHOPSWMGXFFE-UHFFFAOYSA-N -2 3 351.380 2.211 20 0 FEADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000036960368 539995421 /nfs/dbraw/zinc/99/54/21/539995421.db2.gz WQWVAIPEULTTKU-SSDOTTSWSA-N -2 3 356.263 2.288 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1C(=O)[O-] ZINC000047949122 540336462 /nfs/dbraw/zinc/33/64/62/540336462.db2.gz ZPOWISLNAKTCSC-UHFFFAOYSA-N -2 3 364.379 2.153 20 0 FEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc1C(=O)[O-] ZINC000071091559 541763352 /nfs/dbraw/zinc/76/33/52/541763352.db2.gz XNCBUROWZUZTJU-UHFFFAOYSA-N -2 3 360.391 2.297 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3ccn(C)c(=O)c3c2)c1 ZINC000551470793 674146268 /nfs/dbraw/zinc/14/62/68/674146268.db2.gz HGNMOCRSELFBND-UHFFFAOYSA-N -2 3 360.391 2.054 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000137483015 544390619 /nfs/dbraw/zinc/39/06/19/544390619.db2.gz FCDZKTZOGZXWIT-UHFFFAOYSA-N -2 3 370.652 2.492 20 0 FEADHL Cc1cc(C(=O)[N-]c2nnc([N-]S(=O)(=O)c3ccccc3)s2)co1 ZINC000188651611 328101560 /nfs/dbraw/zinc/10/15/60/328101560.db2.gz RTGUIUOPSZIVNN-UHFFFAOYSA-N -2 3 364.408 2.493 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c(F)cc1F ZINC000164393756 327069330 /nfs/dbraw/zinc/06/93/30/327069330.db2.gz KNBALXRPLNIHJO-UHFFFAOYSA-N -2 3 365.365 2.178 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)c(F)cc1F ZINC000164393756 327069331 /nfs/dbraw/zinc/06/93/31/327069331.db2.gz KNBALXRPLNIHJO-UHFFFAOYSA-N -2 3 365.365 2.178 20 0 FEADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000164886776 327075489 /nfs/dbraw/zinc/07/54/89/327075489.db2.gz QMWYKBJPKYFXIH-RDDDGLTNSA-N -2 3 368.274 2.432 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c([O-])c1 ZINC000263444134 328940122 /nfs/dbraw/zinc/94/01/22/328940122.db2.gz QJPUMIYEHIBGJL-IMJJTQAJSA-N -2 3 374.437 2.065 20 0 FEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCCCCCCC(=O)[O-] ZINC000275231581 330024561 /nfs/dbraw/zinc/02/45/61/330024561.db2.gz JJUPAINTOIVVEY-UHFFFAOYSA-N -2 3 351.856 2.085 20 0 FEADHL CSc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)s1 ZINC000275522884 330059267 /nfs/dbraw/zinc/05/92/67/330059267.db2.gz FGHOVAQPMVQFNG-UHFFFAOYSA-N -2 3 373.481 2.054 20 0 FEADHL COC(=O)[C@H](CS(=O)(=O)[N-]c1cc(F)ccc1[O-])c1ccccc1 ZINC000477510234 561146564 /nfs/dbraw/zinc/14/65/64/561146564.db2.gz WQTGSKQVJIAXAW-CYBMUJFWSA-N -2 3 353.371 2.230 20 0 FEADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)CCc1cccs1 ZINC000477507752 561146637 /nfs/dbraw/zinc/14/66/37/561146637.db2.gz XGRUJWZBINZZEW-UHFFFAOYSA-N -2 3 360.482 2.104 20 0 FEADHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1 ZINC000480734540 561215657 /nfs/dbraw/zinc/21/56/57/561215657.db2.gz QMCJIZDOJZBPNV-UHFFFAOYSA-N -2 3 366.395 2.169 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)ccc1[O-] ZINC000481606418 561237219 /nfs/dbraw/zinc/23/72/19/561237219.db2.gz RHVYVHNHELIELN-UHFFFAOYSA-N -2 3 372.406 2.337 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)ccc1C ZINC000484547843 561299620 /nfs/dbraw/zinc/29/96/20/561299620.db2.gz UCAGTIFMNWOZMT-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000486797322 561356942 /nfs/dbraw/zinc/35/69/42/561356942.db2.gz OEYPRRNYRDAERW-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL COc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)c(Cl)cc1C(=O)[O-] ZINC000487261535 561366905 /nfs/dbraw/zinc/36/69/05/561366905.db2.gz AHVAYSKWYRWDJJ-JGVFFNPUSA-N -2 3 351.783 2.216 20 0 FEADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000230102393 548758068 /nfs/dbraw/zinc/75/80/68/548758068.db2.gz DZNUBBGXMSPPDM-GFCCVEGCSA-N -2 3 368.224 2.367 20 0 FEADHL CCC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000262286512 549806503 /nfs/dbraw/zinc/80/65/03/549806503.db2.gz XQXCSWKKYQOUIP-QMMMGPOBSA-N -2 3 354.197 2.120 20 0 FEADHL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000268266155 550042639 /nfs/dbraw/zinc/04/26/39/550042639.db2.gz MGQUHQFOULJUMD-CQSZACIVSA-N -2 3 355.412 2.045 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)s1 ZINC000274926358 550565471 /nfs/dbraw/zinc/56/54/71/550565471.db2.gz BTXOIMCXUSXNNA-HTQZYQBOSA-N -2 3 366.258 2.127 20 0 FEADHL Cc1ccc(F)c(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000284937654 551671638 /nfs/dbraw/zinc/67/16/38/551671638.db2.gz CQBTWGMMTOIOKR-SECBINFHSA-N -2 3 357.325 2.456 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)cnc1Cl ZINC000285281442 551731393 /nfs/dbraw/zinc/73/13/93/551731393.db2.gz WRCWSLFMGWWRIG-QMMMGPOBSA-N -2 3 374.768 2.365 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2=CCCOC2)c(Cl)cc1Cl ZINC000287214074 551977138 /nfs/dbraw/zinc/97/71/38/551977138.db2.gz MPRJTBWHPADGIR-UHFFFAOYSA-N -2 3 366.222 2.317 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)CCCCC1 ZINC000292007392 552683928 /nfs/dbraw/zinc/68/39/28/552683928.db2.gz YHYRSTHKIPVDQD-UHFFFAOYSA-N -2 3 369.439 2.179 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1c(F)cccc1F ZINC000297027943 553244288 /nfs/dbraw/zinc/24/42/88/553244288.db2.gz SYANSSHBFFHRMW-QPUJVOFHSA-N -2 3 369.336 2.445 20 0 FEADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(F)c1 ZINC000299499172 553571907 /nfs/dbraw/zinc/57/19/07/553571907.db2.gz RLUDQKUCSPITPH-UHFFFAOYSA-N -2 3 356.375 2.450 20 0 FEADHL COc1ccccc1-n1nccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504712482 561661653 /nfs/dbraw/zinc/66/16/53/561661653.db2.gz PWDJOOLGFCUBGK-FPLPWBNLSA-N -2 3 366.377 2.482 20 0 FEADHL Cc1nc(C=Cc2cn(C)nc2-c2ccncc2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728549 561661721 /nfs/dbraw/zinc/66/17/21/561661721.db2.gz DQTZXZAHICUDIQ-ARJAWSKDSA-N -2 3 351.366 2.084 20 0 FEADHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CC(=O)[O-] ZINC000309736610 553752850 /nfs/dbraw/zinc/75/28/50/553752850.db2.gz UNZMUTQBAOCDQW-VXGBXAGGSA-N -2 3 356.400 2.215 20 0 FEADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000321065380 553766539 /nfs/dbraw/zinc/76/65/39/553766539.db2.gz ZXKACXOSZXYJER-ZJUUUORDSA-N -2 3 363.457 2.093 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(OC)c1 ZINC000324203264 553771500 /nfs/dbraw/zinc/77/15/00/553771500.db2.gz MJPVTVNEQGNKJR-UHFFFAOYSA-N -2 3 355.343 2.342 20 0 FEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)cc1 ZINC000325111782 553775215 /nfs/dbraw/zinc/77/52/15/553775215.db2.gz GLCWNROTMMRIFT-UHFFFAOYSA-N -2 3 369.782 2.497 20 0 FEADHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000325212484 553775549 /nfs/dbraw/zinc/77/55/49/553775549.db2.gz LNEFTVKMEYACHN-CYBMUJFWSA-N -2 3 364.810 2.358 20 0 FEADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000325683893 553777920 /nfs/dbraw/zinc/77/79/20/553777920.db2.gz OXMIJRCTIWULTD-SECBINFHSA-N -2 3 362.379 2.292 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000326355422 553780135 /nfs/dbraw/zinc/78/01/35/553780135.db2.gz BBAVZZYJJVASTD-UHFFFAOYSA-N -2 3 368.455 2.213 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000326908798 553784258 /nfs/dbraw/zinc/78/42/58/553784258.db2.gz NTHXVTOXSIWIAZ-UHFFFAOYSA-N -3 3 369.326 2.032 20 0 FEADHL COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000327856098 553791931 /nfs/dbraw/zinc/79/19/31/553791931.db2.gz SPYCSBRVHKDEOF-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000506185527 561692608 /nfs/dbraw/zinc/69/26/08/561692608.db2.gz BKAQZCXGZDLVDW-UHFFFAOYSA-N -3 3 369.326 2.037 20 0 FEADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000507007386 561713922 /nfs/dbraw/zinc/71/39/22/561713922.db2.gz NIJTWCZWGLKZLS-UHFFFAOYSA-N -2 3 360.391 2.160 20 0 FEADHL COC(=O)c1c(F)cc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1F ZINC000509372674 561796684 /nfs/dbraw/zinc/79/66/84/561796684.db2.gz BAHKSXQZGMJMFW-UHFFFAOYSA-N -2 3 373.333 2.266 20 0 FEADHL Cc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c([O-])c1 ZINC000332549273 554469415 /nfs/dbraw/zinc/46/94/15/554469415.db2.gz OTBHDMZKRUCHPP-UHFFFAOYSA-N -2 3 354.406 2.441 20 0 FEADHL COc1ccc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)c([O-])c1 ZINC000350570815 554798201 /nfs/dbraw/zinc/79/82/01/554798201.db2.gz PERHQZWMXKDJLF-UHFFFAOYSA-N -2 3 361.379 2.489 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)c(C)c1C(=O)[O-] ZINC000512729761 561913573 /nfs/dbraw/zinc/91/35/73/561913573.db2.gz MPQLGABTLVXOPB-UHFFFAOYSA-N -2 3 372.406 2.383 20 0 FEADHL Cc1cc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)ccc1C(=O)[O-] ZINC000531746394 562455356 /nfs/dbraw/zinc/45/53/56/562455356.db2.gz CGISKMYTVVPUFJ-JTQLQIEISA-N -2 3 368.436 2.060 20 0 FEADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCCCCC[C@H]3C(=O)[O-])cn21 ZINC000515046892 561993735 /nfs/dbraw/zinc/99/37/35/561993735.db2.gz GPWPFACMJZFTGJ-MGPQQGTHSA-N -2 3 369.487 2.482 20 0 FEADHL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000516358129 562040770 /nfs/dbraw/zinc/04/07/70/562040770.db2.gz BWIGSNPGZAONRV-UHFFFAOYSA-N -2 3 372.349 2.438 20 0 FEADHL COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000516567468 562048454 /nfs/dbraw/zinc/04/84/54/562048454.db2.gz HQEVJGAEBDFVSY-SNVBAGLBSA-N -2 3 371.436 2.201 20 0 FEADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1nc(C)cs1 ZINC000517366191 562087088 /nfs/dbraw/zinc/08/70/88/562087088.db2.gz XFLQLPCSJBJVJQ-QMMMGPOBSA-N -2 3 374.415 2.337 20 0 FEADHL CC(C)(C)c1cc(CS(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)no1 ZINC000518528089 562113760 /nfs/dbraw/zinc/11/37/60/562113760.db2.gz PXYQBWHZUQMKCL-LBPRGKRZSA-N -2 3 358.441 2.279 20 0 FEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccn3)CCC2)s1 ZINC000375652686 558062785 /nfs/dbraw/zinc/06/27/85/558062785.db2.gz MMIGAPHIXMPVBV-UHFFFAOYSA-N -2 3 366.464 2.170 20 0 FEADHL CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000408505976 558685443 /nfs/dbraw/zinc/68/54/43/558685443.db2.gz ZKGWLXNYHZGPIE-NSHDSACASA-N -2 3 350.444 2.369 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1cc(F)c(F)c(F)c1 ZINC000525532958 562249948 /nfs/dbraw/zinc/24/99/48/562249948.db2.gz LNKQBMRWUTYRFJ-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(F)c(F)c1 ZINC000525532958 562249949 /nfs/dbraw/zinc/24/99/49/562249949.db2.gz LNKQBMRWUTYRFJ-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c(Br)c1 ZINC000414335605 559157120 /nfs/dbraw/zinc/15/71/20/559157120.db2.gz HFGYQWSFBZZRPN-ZJUUUORDSA-N -2 3 366.208 2.316 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@@H]2CCOC(C)(C)C2)c1 ZINC000414344972 559157574 /nfs/dbraw/zinc/15/75/74/559157574.db2.gz KTGROZXMTBNIKB-LLVKDONJSA-N -2 3 359.419 2.316 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c(cc(C)c(=O)n3C)c2)c1 ZINC000427309482 559752959 /nfs/dbraw/zinc/75/29/59/559752959.db2.gz UPVCPKVVANGSRQ-UHFFFAOYSA-N -2 3 374.418 2.362 20 0 FEADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cn1 ZINC000433509057 559883246 /nfs/dbraw/zinc/88/32/46/559883246.db2.gz ZCMCEWLXWAWGSL-UHFFFAOYSA-N -3 3 352.368 2.073 20 0 FEADHL CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000435973656 559933243 /nfs/dbraw/zinc/93/32/43/559933243.db2.gz OIJMRQHQJVTOHE-UHFFFAOYSA-N -2 3 358.419 2.496 20 0 FEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC2COC2)cc1 ZINC000436199277 559937371 /nfs/dbraw/zinc/93/73/71/559937371.db2.gz PBUMPHSOJZDYPQ-UHFFFAOYSA-N -2 3 363.391 2.272 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3c2OCCC3)ccc1[O-] ZINC000436694060 559948913 /nfs/dbraw/zinc/94/89/13/559948913.db2.gz ARHRSDXPKRYOQP-UHFFFAOYSA-N -2 3 363.391 2.305 20 0 FEADHL Cc1nc(C=Cc2ccc(OCC(=O)[O-])cc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443445170 560084282 /nfs/dbraw/zinc/08/42/82/560084282.db2.gz QKRFFURZIYPCJD-XBXARRHUSA-N -3 3 358.350 2.142 20 0 FEADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(=O)[O-] ZINC000534798190 562542585 /nfs/dbraw/zinc/54/25/85/562542585.db2.gz FVIIUSZMQLKERS-LBPRGKRZSA-N -2 3 374.846 2.002 20 0 FEADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1cccc([O-])c1F ZINC000534946576 562545890 /nfs/dbraw/zinc/54/58/90/562545890.db2.gz DHCBZRZZSOTZOW-UHFFFAOYSA-N -2 3 354.341 2.166 20 0 FEADHL C[C@H](CCC(=O)[O-])NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000540785057 562593030 /nfs/dbraw/zinc/59/30/30/562593030.db2.gz SZWCXVMHCPOGNN-MRVPVSSYSA-N -2 3 367.199 2.274 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC(C)(C)CC2)oc1C ZINC000541000221 562600068 /nfs/dbraw/zinc/60/00/68/562600068.db2.gz DBCDXCXFWVPFDU-UHFFFAOYSA-N -2 3 373.427 2.077 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000541807780 562620210 /nfs/dbraw/zinc/62/02/10/562620210.db2.gz RQNZWYBJGWDMOT-LLVKDONJSA-N -3 3 365.407 2.465 20 0 FEADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F)c1ccccc1 ZINC000546252177 562635486 /nfs/dbraw/zinc/63/54/86/562635486.db2.gz LNMGTJMLIOAJBQ-AWEZNQCLSA-N -2 3 367.398 2.498 20 0 FEADHL Cn1c(=O)oc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3[O-])cc21 ZINC000436475240 568278232 /nfs/dbraw/zinc/27/82/32/568278232.db2.gz GJVGXPSXQMHVPP-UHFFFAOYSA-N -2 3 354.771 2.291 20 0 FEADHL O=S(=O)([N-]c1ccccc1OCC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738342185 598951148 /nfs/dbraw/zinc/95/11/48/598951148.db2.gz OBRIELIXCRFVGB-UHFFFAOYSA-N -2 3 371.422 2.456 20 0 FEADHL O=S(=O)([N-]c1ccccc1OCC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738342185 598951149 /nfs/dbraw/zinc/95/11/49/598951149.db2.gz OBRIELIXCRFVGB-UHFFFAOYSA-N -2 3 371.422 2.456 20 0 FEADHL CC[C@H](CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)C(C)C ZINC000736331827 598977756 /nfs/dbraw/zinc/97/77/56/598977756.db2.gz LWQBVZXQQXBPKM-GFCCVEGCSA-N -2 3 365.459 2.052 20 0 FEADHL CC[C@H](CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(C)C ZINC000736331827 598977758 /nfs/dbraw/zinc/97/77/58/598977758.db2.gz LWQBVZXQQXBPKM-GFCCVEGCSA-N -2 3 365.459 2.052 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)s1 ZINC000556772976 674418944 /nfs/dbraw/zinc/41/89/44/674418944.db2.gz QKSBWELERJTIBH-UHFFFAOYSA-N -2 3 368.274 2.352 20 0 FEADHL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000737612865 598381802 /nfs/dbraw/zinc/38/18/02/598381802.db2.gz KBFFBRMUIWHPNE-UHFFFAOYSA-N -2 3 354.395 2.159 20 0 FEADHL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737612865 598381804 /nfs/dbraw/zinc/38/18/04/598381804.db2.gz KBFFBRMUIWHPNE-UHFFFAOYSA-N -2 3 354.395 2.159 20 0 FEADHL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)on1 ZINC000735648081 599323027 /nfs/dbraw/zinc/32/30/27/599323027.db2.gz LRWHVJAXTMCOCO-UHFFFAOYSA-N -2 3 366.378 2.092 20 0 FEADHL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)on1 ZINC000735648081 599323028 /nfs/dbraw/zinc/32/30/28/599323028.db2.gz LRWHVJAXTMCOCO-UHFFFAOYSA-N -2 3 366.378 2.092 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(Cl)cccc32)o1 ZINC000740175695 599773791 /nfs/dbraw/zinc/77/37/91/599773791.db2.gz UVZBOHYVNMIFCE-JTQLQIEISA-N -2 3 357.771 2.433 20 0 FEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-n2nccn2)cc1 ZINC000327389765 599905812 /nfs/dbraw/zinc/90/58/12/599905812.db2.gz IJUWFGUHYHCDSW-UHFFFAOYSA-N -2 3 358.379 2.075 20 0 FEADHL CC(C)(O)COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000605613334 600245768 /nfs/dbraw/zinc/24/57/68/600245768.db2.gz JJSQWMPHGLVYHP-UHFFFAOYSA-N -2 3 365.407 2.335 20 0 FEADHL Cc1cccc(C[C@H](C[N-]S(=O)(=O)c2cccnc2Cl)C(=O)[O-])c1 ZINC000738708013 600445032 /nfs/dbraw/zinc/44/50/32/600445032.db2.gz PKMAGBIUVSENHU-CYBMUJFWSA-N -2 3 368.842 2.265 20 0 FEADHL CC[C@](NC(=O)c1nnc2ccccc2c1[O-])(C(=O)[O-])c1ccccc1 ZINC000736919243 600485160 /nfs/dbraw/zinc/48/51/60/600485160.db2.gz HDAPOYYFKHOXEH-LJQANCHMSA-N -2 3 351.362 2.455 20 0 FEADHL Cc1nc(C)c(CCC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(=O)[n-]1 ZINC000832995416 601169630 /nfs/dbraw/zinc/16/96/30/601169630.db2.gz YEUCPJFPDPWMOW-DIFFPNOSSA-N -2 3 357.410 2.310 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCOCC1 ZINC000828994104 601239258 /nfs/dbraw/zinc/23/92/58/601239258.db2.gz BBFRILOSACVUQX-NSHDSACASA-N -2 3 363.382 2.147 20 0 FEADHL CO[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)(C)C ZINC000831520701 601239778 /nfs/dbraw/zinc/23/97/78/601239778.db2.gz ZLAMDMOGNPVIMR-SNVBAGLBSA-N -2 3 351.371 2.002 20 0 FEADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000831590476 601266879 /nfs/dbraw/zinc/26/68/79/601266879.db2.gz ICMPRYMWSJUBSL-GFCCVEGCSA-N -2 3 356.227 2.152 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000067659994 601325337 /nfs/dbraw/zinc/32/53/37/601325337.db2.gz QCDJNMCNCCYCBG-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCCc3[nH]ccc32)c1F ZINC000833294385 601442614 /nfs/dbraw/zinc/44/26/14/601442614.db2.gz BSBHBPFOGOEANZ-NSHDSACASA-N -2 3 356.350 2.347 20 0 FEADHL O=C([O-])CCN(Cc1ccncc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000833234627 601517457 /nfs/dbraw/zinc/51/74/57/601517457.db2.gz MNWXNGJPHLRZSH-UHFFFAOYSA-N -2 3 351.362 2.040 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)[C@@H](C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000832991785 601780878 /nfs/dbraw/zinc/78/08/78/601780878.db2.gz YFNYYWNJLYHFJE-HZMBPMFUSA-N -2 3 356.382 2.342 20 0 FEADHL CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000584111310 602119948 /nfs/dbraw/zinc/11/99/48/602119948.db2.gz WXYBOFCYCSJYHN-UHFFFAOYSA-N -2 3 361.470 2.074 20 0 FEADHL C[C@@H](CC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000827303558 602150694 /nfs/dbraw/zinc/15/06/94/602150694.db2.gz GYXSXXDYZMYGNN-ZETCQYMHSA-N -2 3 368.333 2.126 20 0 FEADHL CC(C)C1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000232698860 602163036 /nfs/dbraw/zinc/16/30/36/602163036.db2.gz CFIQDJDPTKLVFE-UHFFFAOYSA-N -2 3 366.233 2.455 20 0 FEADHL O=C([O-])NCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000740652386 602389466 /nfs/dbraw/zinc/38/94/66/602389466.db2.gz NNBBNMDSUVXVFA-UHFFFAOYSA-N -2 3 360.741 2.295 20 0 FEADHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000739925859 603239261 /nfs/dbraw/zinc/23/92/61/603239261.db2.gz DZZAKLRRTQDGOP-SECBINFHSA-N -2 3 370.324 2.265 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@]3(C)CCN(C(=O)[O-])C3)cc2)n1 ZINC000829893387 603896722 /nfs/dbraw/zinc/89/67/22/603896722.db2.gz GSEPVPHSWAYUBU-SFHVURJKSA-N -2 3 356.382 2.074 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(C)n[nH]c3c2)cc1C(=O)[O-] ZINC000538755477 604690624 /nfs/dbraw/zinc/69/06/24/604690624.db2.gz XUVUFDBKMSANCL-UHFFFAOYSA-N -2 3 361.379 2.379 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)cc1C(=O)[O-] ZINC000538755477 604690627 /nfs/dbraw/zinc/69/06/27/604690627.db2.gz XUVUFDBKMSANCL-UHFFFAOYSA-N -2 3 361.379 2.379 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1csnc1C(=O)[O-])Cc1ccccc1 ZINC000570512887 605029011 /nfs/dbraw/zinc/02/90/11/605029011.db2.gz VORYDXHGGHZIHY-UHFFFAOYSA-N -2 3 354.453 2.389 20 0 FEADHL CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C12CCCCC2 ZINC000581546478 605043560 /nfs/dbraw/zinc/04/35/60/605043560.db2.gz QWOJTRLHEKWADW-NEPJUHHUSA-N -2 3 374.484 2.248 20 0 FEADHL CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C12CCCCC2 ZINC000583991876 605208754 /nfs/dbraw/zinc/20/87/54/605208754.db2.gz AOZDXLXPULZALO-STQMWFEESA-N -2 3 357.428 2.384 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CCNC(=O)[O-])s1 ZINC000833898383 605402161 /nfs/dbraw/zinc/40/21/61/605402161.db2.gz SXTRIVXNWFZIOR-ZCFIWIBFSA-N -2 3 371.278 2.144 20 0 FEADHL O=C([O-])N[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000834131255 605602068 /nfs/dbraw/zinc/60/20/68/605602068.db2.gz WMWUTOHXSNAASQ-AWEZNQCLSA-N -2 3 352.354 2.204 20 0 FEADHL O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000834105042 605645129 /nfs/dbraw/zinc/64/51/29/605645129.db2.gz FPGDKKMXMVBJDI-CHWSQXEVSA-N -2 3 362.382 2.258 20 0 FEADHL CCCN(C(=O)c1cc(NC(C)=O)ccc1[O-])C1CCN(C(=O)[O-])CC1 ZINC000833853765 606032638 /nfs/dbraw/zinc/03/26/38/606032638.db2.gz MUYVMQRHESXGHE-UHFFFAOYSA-N -2 3 363.414 2.345 20 0 FEADHL O=S(=O)([N-]c1ccccn1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823589039 606359118 /nfs/dbraw/zinc/35/91/18/606359118.db2.gz JIYNWGTZCKIPLY-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL O=S(=O)([N-]c1ccccn1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823589039 606359119 /nfs/dbraw/zinc/35/91/19/606359119.db2.gz JIYNWGTZCKIPLY-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL O=S(=O)([N-]c1cc(F)ccc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823582850 606864953 /nfs/dbraw/zinc/86/49/53/606864953.db2.gz CAQCNTZWFMPWJS-UHFFFAOYSA-N -2 3 373.291 2.224 20 0 FEADHL O=S(=O)([N-]c1cc(F)ccc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823582850 606864956 /nfs/dbraw/zinc/86/49/56/606864956.db2.gz CAQCNTZWFMPWJS-UHFFFAOYSA-N -2 3 373.291 2.224 20 0 FEADHL CCCCC[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821050855 606884689 /nfs/dbraw/zinc/88/46/89/606884689.db2.gz UTBYYXQTNHGBSC-VIFPVBQESA-N -2 3 359.402 2.392 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC000822266996 607025648 /nfs/dbraw/zinc/02/56/48/607025648.db2.gz LTDQOHSALDGWCA-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825059826 608141130 /nfs/dbraw/zinc/14/11/30/608141130.db2.gz KWAZLFCCQFLNBJ-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825059826 608141131 /nfs/dbraw/zinc/14/11/31/608141131.db2.gz KWAZLFCCQFLNBJ-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)sc1C ZINC000826272635 608293955 /nfs/dbraw/zinc/29/39/55/608293955.db2.gz UGRIYAQPMXQVTK-UHFFFAOYSA-N -2 3 351.413 2.051 20 0 FEADHL Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826296100 608307236 /nfs/dbraw/zinc/30/72/36/608307236.db2.gz JIPCJLVDEBLBRW-UHFFFAOYSA-N -2 3 358.427 2.494 20 0 FEADHL Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826296100 608307238 /nfs/dbraw/zinc/30/72/38/608307238.db2.gz JIPCJLVDEBLBRW-UHFFFAOYSA-N -2 3 358.427 2.494 20 0 FEADHL O=C(CCC1CCCCC1)[N-][N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000066588582 670444319 /nfs/dbraw/zinc/44/43/19/670444319.db2.gz YHFCANHXHOSAGX-UHFFFAOYSA-N -2 3 355.416 2.265 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)CCCCCC(=O)[O-])c1nc(C2CC2)no1 ZINC000570959392 670793791 /nfs/dbraw/zinc/79/37/91/670793791.db2.gz FBBQYBDDIVXIDX-CYBMUJFWSA-N -2 3 359.448 2.209 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)[C@H]2COc3ccccc32)cc1C(=O)[O-] ZINC000571162063 670827175 /nfs/dbraw/zinc/82/71/75/670827175.db2.gz ATWOIUSEBFLEFF-TVQRCGJNSA-N -2 3 351.380 2.129 20 0 FEADHL Cc1noc2ncc([N-]S(=O)(=O)Cc3ccccc3CC(=O)[O-])cc12 ZINC000572450876 671002878 /nfs/dbraw/zinc/00/28/78/671002878.db2.gz ZCIKMAUHYRDXHT-UHFFFAOYSA-N -2 3 361.379 2.100 20 0 FEADHL COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000582299193 671987616 /nfs/dbraw/zinc/98/76/16/671987616.db2.gz ZGWQFFWGUANSJC-NSHDSACASA-N -2 3 353.396 2.144 20 0 FEADHL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)CCOCC(F)(F)F)ccc12 ZINC000582817972 672036473 /nfs/dbraw/zinc/03/64/73/672036473.db2.gz UGTGZHPDJOYMSK-UHFFFAOYSA-N -2 3 366.317 2.187 20 0 FEADHL Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000583082280 672061977 /nfs/dbraw/zinc/06/19/77/672061977.db2.gz OJZFWFWMAJELKS-CJNGLKHVSA-N -2 3 365.407 2.485 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-]CCC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000584266666 672171184 /nfs/dbraw/zinc/17/11/84/672171184.db2.gz FWGGJAFXAAJBER-HNNXBMFYSA-N -2 3 366.439 2.293 20 0 FEADHL C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000185078514 672518371 /nfs/dbraw/zinc/51/83/71/672518371.db2.gz RETCAELGQAXNNX-JTQLQIEISA-N -2 3 372.393 2.301 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc(C(=O)[O-])c1F ZINC000326957640 673056296 /nfs/dbraw/zinc/05/62/96/673056296.db2.gz LIHBRPYSGYCNNE-UHFFFAOYSA-N -2 3 367.354 2.404 20 0 FEADHL COC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000538296377 673432119 /nfs/dbraw/zinc/43/21/19/673432119.db2.gz KOOVGTYPPMKSIU-UHFFFAOYSA-N -2 3 351.380 2.297 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2c3ccccc3oc2C(N)=O)c1 ZINC000539397544 673488426 /nfs/dbraw/zinc/48/84/26/673488426.db2.gz FDWIMYXJUCSCAF-UHFFFAOYSA-N -2 3 362.363 2.047 20 0 FEADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2c(C)noc2-c2ccccc2)o1 ZINC000541843602 673557314 /nfs/dbraw/zinc/55/73/14/673557314.db2.gz DZVWOFDTNMLJKQ-UHFFFAOYSA-N -2 3 361.379 2.403 20 0 FEADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000543789305 673670971 /nfs/dbraw/zinc/67/09/71/673670971.db2.gz ZYZVWZUKISPEPH-UHFFFAOYSA-N -2 3 358.778 2.093 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1F ZINC000547583317 673868390 /nfs/dbraw/zinc/86/83/90/673868390.db2.gz UAKWGKWELWUHNI-JTQLQIEISA-N -2 3 374.371 2.290 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000547880702 673896472 /nfs/dbraw/zinc/89/64/72/673896472.db2.gz XQMAAKXOSUFWCD-QMMMGPOBSA-N -2 3 356.625 2.244 20 0 FEADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548212509 673935338 /nfs/dbraw/zinc/93/53/38/673935338.db2.gz NKXPCWJSQQBCPM-RISCZKNCSA-N -2 3 351.346 2.416 20 0 FEADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548215303 673935797 /nfs/dbraw/zinc/93/57/97/673935797.db2.gz CQPBHMOCJDKTTC-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C1CCC1 ZINC000548234882 673939790 /nfs/dbraw/zinc/93/97/90/673939790.db2.gz FAHVMFROONXZCF-LLVKDONJSA-N -2 3 366.208 2.120 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2(C)CCCCC2)oc1C ZINC000548357790 673953324 /nfs/dbraw/zinc/95/33/24/673953324.db2.gz HBTHXTWZXPKOBJ-ZDUSSCGKSA-N -2 3 373.427 2.077 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC2)c1Cl ZINC000548534300 673967102 /nfs/dbraw/zinc/96/71/02/673967102.db2.gz LYTAEOPYNYSEGE-KWQFWETISA-N -2 3 368.238 2.070 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000548534979 673967132 /nfs/dbraw/zinc/96/71/32/673967132.db2.gz QHWZBPFZWACBFX-GXFFZTMASA-N -2 3 371.386 2.038 20 0 FEADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)C(=O)[O-] ZINC000548594373 673978207 /nfs/dbraw/zinc/97/82/07/673978207.db2.gz FYCCHUXBSPOOHH-UWVGGRQHSA-N -2 3 363.457 2.093 20 0 FEADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000825631565 675661822 /nfs/dbraw/zinc/66/18/22/675661822.db2.gz DBQMZAKWVKJCCI-UHFFFAOYSA-N -2 3 363.399 2.276 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-]c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826221761 675684561 /nfs/dbraw/zinc/68/45/61/675684561.db2.gz TWGJZIIXQQQOKS-UHFFFAOYSA-N -2 3 371.831 2.391 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-]c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826221761 675684562 /nfs/dbraw/zinc/68/45/62/675684562.db2.gz TWGJZIIXQQQOKS-UHFFFAOYSA-N -2 3 371.831 2.391 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nnn[n-]2)sc1C ZINC000826272275 675685388 /nfs/dbraw/zinc/68/53/88/675685388.db2.gz BKKPIJUJTKIJHU-UHFFFAOYSA-N -2 3 353.404 2.485 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)sc1C ZINC000826272275 675685390 /nfs/dbraw/zinc/68/53/90/675685390.db2.gz BKKPIJUJTKIJHU-UHFFFAOYSA-N -2 3 353.404 2.485 20 0 FEADHL Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)s1 ZINC000826324478 675686228 /nfs/dbraw/zinc/68/62/28/675686228.db2.gz SSEMRMRVICWDCT-UHFFFAOYSA-N -2 3 350.429 2.049 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC000826492916 675689606 /nfs/dbraw/zinc/68/96/06/675689606.db2.gz KXLXYQHMOTVBJH-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL CCO[C@H](CS(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1)C1CC1 ZINC000629290742 676841408 /nfs/dbraw/zinc/84/14/08/676841408.db2.gz VWKBRWFEIQTMIV-OAHLLOKOSA-N -2 3 352.412 2.423 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CCC1 ZINC000645960601 677275891 /nfs/dbraw/zinc/27/58/91/677275891.db2.gz AGXOIFIWSTXTGO-UHFFFAOYSA-N -2 3 370.427 2.381 20 0 FEADHL Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000650231249 677361460 /nfs/dbraw/zinc/36/14/60/677361460.db2.gz JCXIRCKFGFBUCA-JGVFFNPUSA-N -2 3 368.274 2.351 20 0 FEADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000650427225 677373469 /nfs/dbraw/zinc/37/34/69/677373469.db2.gz CTVBOKCPYTXADQ-ZETCQYMHSA-N -2 3 371.308 2.256 20 0 FEADHL Cc1cc(F)ccc1C[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000656719030 677813007 /nfs/dbraw/zinc/81/30/07/677813007.db2.gz ZBJHVLFKMZMSJE-SECBINFHSA-N -2 3 358.416 2.198 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)oc1C(=O)[O-] ZINC000663422081 678734839 /nfs/dbraw/zinc/73/48/39/678734839.db2.gz DSOGDYSSCRQYAN-GFCCVEGCSA-N -2 3 351.380 2.478 20 0 FEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000671645399 679338283 /nfs/dbraw/zinc/33/82/83/679338283.db2.gz ZGKIKPDWHRYRPT-LURJTMIESA-N -2 3 363.716 2.411 20 0 FEADHL COCC1(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCC1 ZINC000840888641 680849327 /nfs/dbraw/zinc/84/93/27/680849327.db2.gz AQTYAGMROFSWHM-UHFFFAOYSA-N -2 3 363.382 2.148 20 0 FEADHL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)ccc1=O ZINC000749143408 680022825 /nfs/dbraw/zinc/02/28/25/680022825.db2.gz SOIYSIBKKKZMBC-UHFFFAOYSA-N -2 3 368.386 2.205 20 0 FEADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776634015 681420535 /nfs/dbraw/zinc/42/05/35/681420535.db2.gz GUTKTVOXHPORBC-QPUJVOFHSA-N -2 3 353.227 2.310 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC000776642745 681421820 /nfs/dbraw/zinc/42/18/20/681421820.db2.gz JIAYDMOFZVODOD-CYBMUJFWSA-N -2 3 364.379 2.012 20 0 FEADHL O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000853068547 682370892 /nfs/dbraw/zinc/37/08/92/682370892.db2.gz APHPBTPFHLCCMU-QMMMGPOBSA-N -2 3 369.292 2.176 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CC=C(C(=O)[O-])C2)s1 ZINC000853070556 682371482 /nfs/dbraw/zinc/37/14/82/682371482.db2.gz XTZVUGBZJSUYQY-QMMMGPOBSA-N -2 3 366.258 2.271 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCCOc2cccc(C)c2)oc1C(=O)[O-] ZINC000853231865 682395290 /nfs/dbraw/zinc/39/52/90/682395290.db2.gz WGOZQIKXSLWXNS-UHFFFAOYSA-N -2 3 353.396 2.342 20 0 FEADHL CC(C)Sc1nc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)n[n-]1 ZINC000788843558 682560037 /nfs/dbraw/zinc/56/00/37/682560037.db2.gz WOQZTMDJGXCJLV-UHFFFAOYSA-N -2 3 352.441 2.480 20 0 FEADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000793358896 682884617 /nfs/dbraw/zinc/88/46/17/682884617.db2.gz RXJQDYISFSIKPH-UHFFFAOYSA-N -3 3 371.317 2.470 20 0 FEADHL CSCC[C@@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)C(=O)[O-] ZINC000926451683 683126845 /nfs/dbraw/zinc/12/68/45/683126845.db2.gz OLMQUJCGIFRYEE-LLVKDONJSA-N -2 3 372.493 2.295 20 0 FEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CC[C@H]2CCOC2)c1 ZINC000871940863 684888086 /nfs/dbraw/zinc/88/80/86/684888086.db2.gz YWQHETCIKSYCFV-QMMMGPOBSA-N -2 3 368.238 2.397 20 0 FEADHL O=C(c1cc(Br)cc(F)c1[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898226981 690146956 /nfs/dbraw/zinc/14/69/56/690146956.db2.gz ORIWNHHJFFHVCK-SSDOTTSWSA-N -2 3 370.178 2.352 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1[N-]S(C)(=O)=O ZINC000044259377 540121982 /nfs/dbraw/zinc/12/19/82/540121982.db2.gz FRWBEDLEMZRSEK-UHFFFAOYSA-N -2 3 374.415 2.007 20 0 FEADHL CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000068216304 541564352 /nfs/dbraw/zinc/56/43/52/541564352.db2.gz GBQWNTOSKNOWDV-UHFFFAOYSA-N -2 3 374.418 2.296 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(Cl)c1 ZINC000121121437 543689386 /nfs/dbraw/zinc/68/93/86/543689386.db2.gz AWMGIHSIFKSAKX-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(Cl)c1 ZINC000121121437 543689389 /nfs/dbraw/zinc/68/93/89/543689389.db2.gz AWMGIHSIFKSAKX-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000125864101 543906527 /nfs/dbraw/zinc/90/65/27/543906527.db2.gz SGEICUAHUGBELG-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000125864101 543906529 /nfs/dbraw/zinc/90/65/29/543906529.db2.gz SGEICUAHUGBELG-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-])sc1Br ZINC000133176562 544259003 /nfs/dbraw/zinc/25/90/03/544259003.db2.gz QOKLVRURZLUXMH-RNFRBKRXSA-N -2 3 356.263 2.207 20 0 FEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c1 ZINC000152777328 544694826 /nfs/dbraw/zinc/69/48/26/544694826.db2.gz JWUCWNBPSBXBLB-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1 ZINC000152777328 544694831 /nfs/dbraw/zinc/69/48/31/544694831.db2.gz JWUCWNBPSBXBLB-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000152779282 544695002 /nfs/dbraw/zinc/69/50/02/544695002.db2.gz HUGGLRVJHZCZHL-UHFFFAOYSA-N -2 3 360.786 2.193 20 0 FEADHL N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000152779282 544695006 /nfs/dbraw/zinc/69/50/06/544695006.db2.gz HUGGLRVJHZCZHL-UHFFFAOYSA-N -2 3 360.786 2.193 20 0 FEADHL CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)ccc21 ZINC000013299910 324375542 /nfs/dbraw/zinc/37/55/42/324375542.db2.gz QSSVZYLQLDCSSJ-UHFFFAOYSA-N -2 3 374.418 2.485 20 0 FEADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)C(=O)[O-] ZINC000262500343 328869628 /nfs/dbraw/zinc/86/96/28/328869628.db2.gz XZZJHRRTMKFABP-NSHDSACASA-N -2 3 363.819 2.048 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)C(=O)[O-] ZINC000263538183 328946451 /nfs/dbraw/zinc/94/64/51/328946451.db2.gz AVTZDHAHQBWRSE-SNVBAGLBSA-N -2 3 370.652 2.490 20 0 FEADHL C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CCO1 ZINC000273678386 329883494 /nfs/dbraw/zinc/88/34/94/329883494.db2.gz HEDPCFQKHJNOCJ-BDAKNGLRSA-N -2 3 365.810 2.271 20 0 FEADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000274918647 329992509 /nfs/dbraw/zinc/99/25/09/329992509.db2.gz ALFCBESLUMZRTB-SNVBAGLBSA-N -2 3 354.211 2.094 20 0 FEADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000274943971 329995202 /nfs/dbraw/zinc/99/52/02/329995202.db2.gz FMROCGZWYBALFF-SNVBAGLBSA-N -2 3 368.238 2.403 20 0 FEADHL COc1ccc(C(=O)[N-]C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000276359327 330144557 /nfs/dbraw/zinc/14/45/57/330144557.db2.gz PFCNEDFVOCLJKZ-UHFFFAOYSA-N -2 3 359.407 2.117 20 0 FEADHL O=C(N=c1ccc([O-])n[n-]1)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000484454539 538783319 /nfs/dbraw/zinc/78/33/19/538783319.db2.gz JMPAWKAQQGWHLS-UHFFFAOYSA-N -2 3 369.402 2.408 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)ccc1C(=O)[O-] ZINC000484766230 561305603 /nfs/dbraw/zinc/30/56/03/561305603.db2.gz HAXLZYAZGJLTQI-UHFFFAOYSA-N -2 3 358.375 2.336 20 0 FEADHL O=C([O-])c1ccc(NC(=O)C[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000485459829 561319719 /nfs/dbraw/zinc/31/97/19/561319719.db2.gz DHXJSGVJYPUSNX-UHFFFAOYSA-N -2 3 374.827 2.017 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cccc2ncccc21 ZINC000486837072 561357871 /nfs/dbraw/zinc/35/78/71/561357871.db2.gz MVMHLUQCJDDQRO-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cccc2ncccc21 ZINC000486837072 561357872 /nfs/dbraw/zinc/35/78/72/561357872.db2.gz MVMHLUQCJDDQRO-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000234031434 548764751 /nfs/dbraw/zinc/76/47/51/548764751.db2.gz FBINTUJRMZMHGF-VIFPVBQESA-N -2 3 356.625 2.244 20 0 FEADHL CC(C)[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000236706010 548775380 /nfs/dbraw/zinc/77/53/80/548775380.db2.gz XOJGZGCSSDBFBR-CYBMUJFWSA-N -2 3 367.199 2.130 20 0 FEADHL C[C@@H](CN(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000237408531 548823612 /nfs/dbraw/zinc/82/36/12/548823612.db2.gz DSVYUMLJPLCATI-QMMMGPOBSA-N -2 3 367.199 2.083 20 0 FEADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2cn3cc(Cl)ccc3n2)c1 ZINC000237964384 548868120 /nfs/dbraw/zinc/86/81/20/548868120.db2.gz BXTMZTPAFUXESL-UHFFFAOYSA-N -2 3 371.827 2.226 20 0 FEADHL C[C@H]1CCCN1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000488258627 561387047 /nfs/dbraw/zinc/38/70/47/561387047.db2.gz FAKPCOMEEMKMHZ-QMMMGPOBSA-N -2 3 368.333 2.424 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)N2CCCCC2)c(OC(F)(F)F)c1 ZINC000488265385 561387154 /nfs/dbraw/zinc/38/71/54/561387154.db2.gz QJXDLVBIVDINSS-UHFFFAOYSA-N -2 3 368.333 2.426 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(F)c1 ZINC000489552332 561414019 /nfs/dbraw/zinc/41/40/19/561414019.db2.gz BHSHDRQLQOGAKE-UHFFFAOYSA-N -3 3 357.290 2.162 20 0 FEADHL O=S(=O)([N-]Cc1ncccc1[O-])c1cccc(OC(F)(F)F)c1F ZINC000489813445 561419542 /nfs/dbraw/zinc/41/95/42/561419542.db2.gz SODLCVYXRPRRLS-UHFFFAOYSA-N -2 3 366.292 2.303 20 0 FEADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc(F)c(F)cc2Cl)s1 ZINC000492092279 561449268 /nfs/dbraw/zinc/44/92/68/561449268.db2.gz AVOATNRMRGZSAR-UHFFFAOYSA-N -2 3 368.774 2.094 20 0 FEADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000274924005 550565171 /nfs/dbraw/zinc/56/51/71/550565171.db2.gz NMWJAEMKVGGMJL-UHFFFAOYSA-N -2 3 353.227 2.310 20 0 FEADHL CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000497945819 561512057 /nfs/dbraw/zinc/51/20/57/561512057.db2.gz DGZCIMPIJVSHEB-UHFFFAOYSA-N -2 3 362.407 2.130 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])CCC1 ZINC000291125312 552590143 /nfs/dbraw/zinc/59/01/43/552590143.db2.gz NQZZNFKNZSORAO-UHFFFAOYSA-N -2 3 361.803 2.123 20 0 FEADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)o1 ZINC000291914266 552674240 /nfs/dbraw/zinc/67/42/40/552674240.db2.gz MOIKOCVXSZBVLY-UHFFFAOYSA-N -2 3 356.375 2.170 20 0 FEADHL CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)o1 ZINC000291958095 552678554 /nfs/dbraw/zinc/67/85/54/552678554.db2.gz REQUQXJQSPMSGT-UHFFFAOYSA-N -2 3 356.375 2.251 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000297307153 553276198 /nfs/dbraw/zinc/27/61/98/553276198.db2.gz VXCDFVAQEVPNRR-UHFFFAOYSA-N -2 3 368.636 2.246 20 0 FEADHL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1C ZINC000504278516 561655574 /nfs/dbraw/zinc/65/55/74/561655574.db2.gz DAWAMJFESGYPTM-UHFFFAOYSA-N -2 3 356.375 2.454 20 0 FEADHL COc1cc(OC)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(OC)c1 ZINC000504734557 561661725 /nfs/dbraw/zinc/66/17/25/561661725.db2.gz ZJPGWQOGKAWFKH-AATRIKPKSA-N -2 3 360.366 2.314 20 0 FEADHL COc1cccc(Cl)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000323061134 553768879 /nfs/dbraw/zinc/76/88/79/553768879.db2.gz LPERKCFYYJPQES-UHFFFAOYSA-N -2 3 359.787 2.427 20 0 FEADHL COC(=O)c1cccc(CS(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000327303813 553787433 /nfs/dbraw/zinc/78/74/33/553787433.db2.gz RMDXKVXYSQQAOI-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)o1 ZINC000350817330 554815588 /nfs/dbraw/zinc/81/55/88/554815588.db2.gz SMFOVPOOFWNUEF-UHFFFAOYSA-N -2 3 355.759 2.264 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c(C)c1C(=O)[O-] ZINC000512794734 561915570 /nfs/dbraw/zinc/91/55/70/561915570.db2.gz IDYXRDYYJRZICM-UHFFFAOYSA-N -2 3 360.391 2.297 20 0 FEADHL C[C@@H]1c2ccccc2O[C@@H]1C[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000368264650 556262893 /nfs/dbraw/zinc/26/28/93/556262893.db2.gz GHBBYELNNIFPPB-QMTHXVAHSA-N -2 3 367.448 2.218 20 0 FEADHL O=C(N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)c1ccc([O-])cc1F ZINC000368502487 556328119 /nfs/dbraw/zinc/32/81/19/556328119.db2.gz MRSDTIOORCBZII-ZDUSSCGKSA-N -2 3 365.727 2.356 20 0 FEADHL O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ccc([O-])cc1F ZINC000368502487 556328120 /nfs/dbraw/zinc/32/81/20/556328120.db2.gz MRSDTIOORCBZII-ZDUSSCGKSA-N -2 3 365.727 2.356 20 0 FEADHL Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000516283941 562038596 /nfs/dbraw/zinc/03/85/96/562038596.db2.gz RTVJHAPLJPNAPS-VIFPVBQESA-N -2 3 372.472 2.141 20 0 FEADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000519378288 562130586 /nfs/dbraw/zinc/13/05/86/562130586.db2.gz PZGJKFPAGXPLNH-VXNVDRBHSA-N -2 3 367.757 2.249 20 0 FEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCO2 ZINC000373241245 557656729 /nfs/dbraw/zinc/65/67/29/557656729.db2.gz DZRDGXLATVOHEX-UHFFFAOYSA-N -2 3 361.375 2.459 20 0 FEADHL CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000522957584 562206528 /nfs/dbraw/zinc/20/65/28/562206528.db2.gz KMWDPDTYHFIYGB-UHFFFAOYSA-N -2 3 365.407 2.335 20 0 FEADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000526059478 562265584 /nfs/dbraw/zinc/26/55/84/562265584.db2.gz RCTAJJOERXEQOH-JTQLQIEISA-N -2 3 364.807 2.348 20 0 FEADHL COc1ccc([O-])c([N-]S(=O)(=O)C[C@H](Cc2ccccc2)OC)c1 ZINC000421149216 559526779 /nfs/dbraw/zinc/52/67/79/559526779.db2.gz HKBGOYNCVSFSQS-HNNXBMFYSA-N -2 3 351.424 2.400 20 0 FEADHL CC(C)(CC[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000424391695 559662670 /nfs/dbraw/zinc/66/26/70/559662670.db2.gz NKUSNDHFMWDNND-UHFFFAOYSA-N -2 3 368.224 2.367 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1C ZINC000436479080 559942584 /nfs/dbraw/zinc/94/25/84/559942584.db2.gz SKBGHOMHCMNQNP-UHFFFAOYSA-N -2 3 369.370 2.436 20 0 FEADHL CO[C@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436528117 559944309 /nfs/dbraw/zinc/94/43/09/559944309.db2.gz NHPISCULWZWXRL-GFCCVEGCSA-N -2 3 370.471 2.231 20 0 FEADHL COc1ccc(N(C)S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2[O-])cc1F ZINC000436736694 559950433 /nfs/dbraw/zinc/95/04/33/559950433.db2.gz GZXKJVOFSDBPIN-UHFFFAOYSA-N -2 3 369.370 2.372 20 0 FEADHL CCc1ccc(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C)c2)c([O-])c1 ZINC000436830146 559953412 /nfs/dbraw/zinc/95/34/12/559953412.db2.gz PZLCGOJDNQTYDR-UHFFFAOYSA-N -2 3 352.387 2.254 20 0 FEADHL Cc1ccc2c(c1)OCCN2S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1[O-] ZINC000436924713 559956691 /nfs/dbraw/zinc/95/66/91/559956691.db2.gz DPVSKTIZUGUHDO-UHFFFAOYSA-N -2 3 363.391 2.295 20 0 FEADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000436985144 559958503 /nfs/dbraw/zinc/95/85/03/559958503.db2.gz COGDFNWCKWRTSF-UHFFFAOYSA-N -2 3 351.366 2.205 20 0 FEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cc(Cl)cc(F)c3F)ccc21 ZINC000442252478 560046846 /nfs/dbraw/zinc/04/68/46/560046846.db2.gz TZKCMUOWEOVMSY-UHFFFAOYSA-N -2 3 372.736 2.303 20 0 FEADHL Cc1nc(C=Cc2nccn2CC(F)(F)F)[n-]c(=O)c1CCC(=O)[O-] ZINC000443447196 560084183 /nfs/dbraw/zinc/08/41/83/560084183.db2.gz VPYJOBCLEFTXMU-ARJAWSKDSA-N -2 3 356.304 2.437 20 0 FEADHL CCCCC[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000450962918 560280197 /nfs/dbraw/zinc/28/01/97/560280197.db2.gz XIAQWOOQUMCGPC-UHFFFAOYSA-N -2 3 366.480 2.446 20 0 FEADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc([O-])cc(Br)c1 ZINC000451104728 560287386 /nfs/dbraw/zinc/28/73/86/560287386.db2.gz LIACKFAIWZQGOH-UHFFFAOYSA-N -2 3 360.233 2.306 20 0 FEADHL Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])n1 ZINC000451143306 560289589 /nfs/dbraw/zinc/28/95/89/560289589.db2.gz DXMVDQOVKLSWEO-LURJTMIESA-N -2 3 351.306 2.142 20 0 FEADHL Cn1cc(Cl)c(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])n1 ZINC000451798787 560329327 /nfs/dbraw/zinc/32/93/27/560329327.db2.gz DBZZWMCAANIXSH-UHFFFAOYSA-N -2 3 369.752 2.276 20 0 FEADHL O=c1[n-]c(C2CCN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)CC2)n[nH]1 ZINC000459434765 560686166 /nfs/dbraw/zinc/68/61/66/560686166.db2.gz CTMJUKYJDKWZSE-UHFFFAOYSA-N -2 3 352.398 2.053 20 0 FEADHL Cc1nn(C)c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])ccc12 ZINC000461348174 560767564 /nfs/dbraw/zinc/76/75/64/560767564.db2.gz TZPGQPDYPYAAKC-UHFFFAOYSA-N -3 3 361.379 2.086 20 0 FEADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)c1 ZINC000470260994 560977723 /nfs/dbraw/zinc/97/77/23/560977723.db2.gz KGKAVDZECXAFOQ-UHFFFAOYSA-N -2 3 362.342 2.110 20 0 FEADHL COc1cc(S(=O)(=O)[N-]c2c[nH]c(=O)cc2C)c(Cl)cc1C(=O)[O-] ZINC000474418751 561073594 /nfs/dbraw/zinc/07/35/94/561073594.db2.gz ZUDPBCUWVCAVEB-UHFFFAOYSA-N -2 3 372.786 2.257 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000530151144 562400132 /nfs/dbraw/zinc/40/01/32/562400132.db2.gz MLECWGZRWNPCSB-MVWJERBFSA-N -2 3 370.839 2.111 20 0 FEADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000530529558 562414797 /nfs/dbraw/zinc/41/47/97/562414797.db2.gz JRDOXCXYEBLCRM-QMMMGPOBSA-N -2 3 368.274 2.432 20 0 FEADHL COc1ccc(OCCS(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000533166065 562500079 /nfs/dbraw/zinc/50/00/79/562500079.db2.gz LMOWTJQMPQBMSY-UHFFFAOYSA-N -2 3 369.370 2.353 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)[O-])cc1F ZINC000535511547 562560143 /nfs/dbraw/zinc/56/01/43/562560143.db2.gz JQPMXIYTNKRRGF-CQSZACIVSA-N -2 3 355.362 2.247 20 0 FEADHL CC[C@](C)(C[N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000540982959 562599442 /nfs/dbraw/zinc/59/94/42/562599442.db2.gz ZQXFULVNFSHGTA-GFCCVEGCSA-N -2 3 368.224 2.367 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)CC(=O)[O-] ZINC000540983843 562599486 /nfs/dbraw/zinc/59/94/86/562599486.db2.gz JBTOQIRFPYEORE-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550192512 562643869 /nfs/dbraw/zinc/64/38/69/562643869.db2.gz SUHBECASVWUHHT-UHFFFAOYSA-N -2 3 365.328 2.149 20 0 FEADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000550192512 562643870 /nfs/dbraw/zinc/64/38/70/562643870.db2.gz SUHBECASVWUHHT-UHFFFAOYSA-N -2 3 365.328 2.149 20 0 FEADHL O=S(=O)([N-]c1cccc(Cl)c1O)c1ccccc1-c1nnn[n-]1 ZINC000738343413 598951343 /nfs/dbraw/zinc/95/13/43/598951343.db2.gz YQRJONBEVHENGG-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=S(=O)([N-]c1cccc(Cl)c1O)c1ccccc1-c1nn[n-]n1 ZINC000738343413 598951344 /nfs/dbraw/zinc/95/13/44/598951344.db2.gz YQRJONBEVHENGG-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC000735550808 599153407 /nfs/dbraw/zinc/15/34/07/599153407.db2.gz LQQPACYBCFXLML-QMMMGPOBSA-N -2 3 371.850 2.007 20 0 FEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)(C)C ZINC000735550808 599153410 /nfs/dbraw/zinc/15/34/10/599153410.db2.gz LQQPACYBCFXLML-QMMMGPOBSA-N -2 3 371.850 2.007 20 0 FEADHL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1O ZINC000822201879 599303933 /nfs/dbraw/zinc/30/39/33/599303933.db2.gz ABAIZBRPDFCYSW-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1O ZINC000822201879 599303936 /nfs/dbraw/zinc/30/39/36/599303936.db2.gz ABAIZBRPDFCYSW-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL C[C@@H](OC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000737708806 597498599 /nfs/dbraw/zinc/49/85/99/597498599.db2.gz RYUKNFFQCDKSDJ-MLGOLLRUSA-N -2 3 357.362 2.270 20 0 FEADHL CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821051022 599620716 /nfs/dbraw/zinc/62/07/16/599620716.db2.gz WWRXUDHDQGZWDE-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821051022 599620717 /nfs/dbraw/zinc/62/07/17/599620717.db2.gz WWRXUDHDQGZWDE-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2sccc2Br)o1 ZINC000147882415 599774801 /nfs/dbraw/zinc/77/48/01/599774801.db2.gz PJDAMWSXGHKULC-UHFFFAOYSA-N -2 3 366.214 2.280 20 0 FEADHL O=C([O-])CC[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccc1 ZINC000739662402 599938917 /nfs/dbraw/zinc/93/89/17/599938917.db2.gz BUDPTPATPAGSBN-WBILKINKSA-N -2 3 350.374 2.493 20 0 FEADHL O=Cc1ccc(OC(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c2cccs2)cc1 ZINC000740317905 600067004 /nfs/dbraw/zinc/06/70/04/600067004.db2.gz HJBMKECHYKOALO-GFCCVEGCSA-N -2 3 355.318 2.474 20 0 FEADHL CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1ccc(OC)cc1[O-] ZINC000737171224 600085663 /nfs/dbraw/zinc/08/56/63/600085663.db2.gz NBPZLRYJFBYTQX-UHFFFAOYSA-N -2 3 363.366 2.371 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CCC4(C[C@H]4C(=O)[O-])CC3)nc2)n1 ZINC000584234834 600283324 /nfs/dbraw/zinc/28/33/24/600283324.db2.gz WVOHSTWAVLFBGE-AWEZNQCLSA-N -2 3 354.410 2.498 20 0 FEADHL COc1ccc(N[C@@H](C(=O)[O-])c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000738038894 600420363 /nfs/dbraw/zinc/42/03/63/600420363.db2.gz JUFOQUXNDHXSRG-OAHLLOKOSA-N -2 3 350.396 2.305 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]CCOc2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC000575865856 601218156 /nfs/dbraw/zinc/21/81/56/601218156.db2.gz WRSVXCURXFVSMH-UHFFFAOYSA-N -2 3 353.396 2.260 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](c2nc(C3CC3)no2)C(C)C)cc1C(=O)[O-] ZINC000563073005 601219555 /nfs/dbraw/zinc/21/95/55/601219555.db2.gz PSPKRVBIRSEILQ-LBPRGKRZSA-N -2 3 369.399 2.222 20 0 FEADHL Cc1cccc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000324606231 601233473 /nfs/dbraw/zinc/23/34/73/601233473.db2.gz KMCYNPIKSXMEDD-UHFFFAOYSA-N -2 3 355.362 2.492 20 0 FEADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000831584404 601266191 /nfs/dbraw/zinc/26/61/91/601266191.db2.gz FAFJATISCAODHO-GFCCVEGCSA-N -2 3 356.227 2.152 20 0 FEADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000831584493 601266250 /nfs/dbraw/zinc/26/62/50/601266250.db2.gz GNCIYARTCIVRMP-CYBMUJFWSA-N -2 3 370.254 2.460 20 0 FEADHL O=C([O-])CC1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCOCC1 ZINC000833205740 601270247 /nfs/dbraw/zinc/27/02/47/601270247.db2.gz NMZBSIUXFIDDLC-UHFFFAOYSA-N -2 3 368.238 2.296 20 0 FEADHL CN(CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000739700243 602304307 /nfs/dbraw/zinc/30/43/07/602304307.db2.gz BFOBGVAUFCYIPH-UHFFFAOYSA-N -2 3 360.741 2.247 20 0 FEADHL O=C([O-])N1[C@H](C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@H]2CCCC[C@@H]21 ZINC000740468419 602359473 /nfs/dbraw/zinc/35/94/73/602359473.db2.gz HUUZYRRJEVLYOC-SWHYSGLUSA-N -2 3 356.386 2.116 20 0 FEADHL O=C([O-])N1[C@H](C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@H]2CCCC[C@@H]21 ZINC000740468419 602359477 /nfs/dbraw/zinc/35/94/77/602359477.db2.gz HUUZYRRJEVLYOC-SWHYSGLUSA-N -2 3 356.386 2.116 20 0 FEADHL C[C@@H](CC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)NC(=O)[O-] ZINC000738906253 602539005 /nfs/dbraw/zinc/53/90/05/602539005.db2.gz OXVLBSULMYXKTK-JTQLQIEISA-N -2 3 355.441 2.135 20 0 FEADHL O=C([O-])NCC1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCCC1 ZINC000740619079 602564307 /nfs/dbraw/zinc/56/43/07/602564307.db2.gz ARZBPPUYTBHBMG-UHFFFAOYSA-N -2 3 350.799 2.338 20 0 FEADHL C[C@@](CNC(=O)[O-])([N-]S(=O)(=O)c1cccc(Cl)c1F)C1CC1 ZINC000738926750 602708736 /nfs/dbraw/zinc/70/87/36/602708736.db2.gz RUHVZJQMOMRBIX-ZDUSSCGKSA-N -2 3 350.799 2.194 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CCC(N(C)C(=O)[O-])CC3)nc2)n1 ZINC000739536463 602734801 /nfs/dbraw/zinc/73/48/01/602734801.db2.gz SWTQQBFLRKAMFY-UHFFFAOYSA-N -2 3 357.414 2.385 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](C)N(C(=O)[O-])[C@H](C)C3)nc2)n1 ZINC000739535842 602818145 /nfs/dbraw/zinc/81/81/45/602818145.db2.gz IRUVUHFKUZPLDZ-VXGBXAGGSA-N -2 3 357.414 2.384 20 0 FEADHL O=C([O-])NCCc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000740672428 602911854 /nfs/dbraw/zinc/91/18/54/602911854.db2.gz CTBCBFJIBGAAGD-UHFFFAOYSA-N -2 3 361.373 2.341 20 0 FEADHL O=C([O-])N[C@H](CNC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000740536046 603022296 /nfs/dbraw/zinc/02/22/96/603022296.db2.gz OKZWFGHFJZXUPR-CQSZACIVSA-N -2 3 352.350 2.074 20 0 FEADHL O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000740517253 603057916 /nfs/dbraw/zinc/05/79/16/603057916.db2.gz OFAXSKIYTWLYKX-CABCVRRESA-N -2 3 370.409 2.473 20 0 FEADHL O=C([O-])NC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000740612418 603068407 /nfs/dbraw/zinc/06/84/07/603068407.db2.gz JRMUMPSPJIILJJ-JTQLQIEISA-N -2 3 370.324 2.169 20 0 FEADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)NC(=O)[O-] ZINC000826561250 603478384 /nfs/dbraw/zinc/47/83/84/603478384.db2.gz QNQMGWPASYOYRL-UHFFFAOYSA-N -2 3 370.258 2.493 20 0 FEADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)s1 ZINC000824137258 607654386 /nfs/dbraw/zinc/65/43/86/607654386.db2.gz ZRYSBXXYPKFPDO-UHFFFAOYSA-N -2 3 370.485 2.483 20 0 FEADHL O=C([O-])N[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC000832113815 603940493 /nfs/dbraw/zinc/94/04/93/603940493.db2.gz LEJBPOIWPJVPOY-HNNXBMFYSA-N -2 3 366.381 2.074 20 0 FEADHL O=C([O-])N[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC000832113815 603940497 /nfs/dbraw/zinc/94/04/97/603940497.db2.gz LEJBPOIWPJVPOY-HNNXBMFYSA-N -2 3 366.381 2.074 20 0 FEADHL O=C([O-])c1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000833145748 604372579 /nfs/dbraw/zinc/37/25/79/604372579.db2.gz XWEYTDOFFLRVIH-UHFFFAOYSA-N -2 3 351.156 2.178 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2Br)cs1 ZINC000236459912 604403425 /nfs/dbraw/zinc/40/34/25/604403425.db2.gz RUAOVBMCJBHMNG-UHFFFAOYSA-N -2 3 363.214 2.405 20 0 FEADHL Cc1nc(C)c(CC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c(=O)[n-]1 ZINC000832995396 604942696 /nfs/dbraw/zinc/94/26/96/604942696.db2.gz XHNTUTSVHZHFMA-UHFFFAOYSA-N -2 3 365.773 2.097 20 0 FEADHL C[C@@]1([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCCC[C@H]1C(=O)[O-] ZINC000833568303 605245628 /nfs/dbraw/zinc/24/56/28/605245628.db2.gz CWAUALIQBHUWKN-LKFCYVNXSA-N -2 3 351.346 2.416 20 0 FEADHL O=C([O-])N[C@@H]1CC[C@H](C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000832269750 605415156 /nfs/dbraw/zinc/41/51/56/605415156.db2.gz LQFOMKQIZBFZJV-VHSXEESVSA-N -2 3 357.204 2.207 20 0 FEADHL O=C([O-])N[C@@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000834131290 605597040 /nfs/dbraw/zinc/59/70/40/605597040.db2.gz WUIVGVKPTXUTMM-ZDUSSCGKSA-N -2 3 352.354 2.204 20 0 FEADHL O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000834152081 605806811 /nfs/dbraw/zinc/80/68/11/605806811.db2.gz YATJFCNWSVPPNK-VIFPVBQESA-N -2 3 353.227 2.318 20 0 FEADHL O=C(OCCOc1ccccc1-c1nnn[n-]1)c1c(F)cc([O-])cc1F ZINC000823409086 606130453 /nfs/dbraw/zinc/13/04/53/606130453.db2.gz COTIPRHDJSFSLS-UHFFFAOYSA-N -2 3 362.292 2.086 20 0 FEADHL O=C(OCCOc1ccccc1-c1nn[n-]n1)c1c(F)cc([O-])cc1F ZINC000823409086 606130455 /nfs/dbraw/zinc/13/04/55/606130455.db2.gz COTIPRHDJSFSLS-UHFFFAOYSA-N -2 3 362.292 2.086 20 0 FEADHL O=C1CCCc2ccc([N-]S(=O)(=O)c3ccccc3-c3nnn[n-]3)cc21 ZINC000823531024 606625138 /nfs/dbraw/zinc/62/51/38/606625138.db2.gz XFUPRKIESPHCIN-UHFFFAOYSA-N -2 3 369.406 2.187 20 0 FEADHL O=C1CCCc2ccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)cc21 ZINC000823531024 606625140 /nfs/dbraw/zinc/62/51/40/606625140.db2.gz XFUPRKIESPHCIN-UHFFFAOYSA-N -2 3 369.406 2.187 20 0 FEADHL CCCc1nnc([N-]C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000821142426 606666063 /nfs/dbraw/zinc/66/60/63/606666063.db2.gz JFCALJMQSDJFKN-UHFFFAOYSA-N -2 3 351.342 2.201 20 0 FEADHL Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)ccc1C(=O)[O-] ZINC000822207363 607110433 /nfs/dbraw/zinc/11/04/33/607110433.db2.gz TVLXMNTVQDZUKF-LLVKDONJSA-N -2 3 367.365 2.279 20 0 FEADHL Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)ccc1C(=O)[O-] ZINC000822207363 607110435 /nfs/dbraw/zinc/11/04/35/607110435.db2.gz TVLXMNTVQDZUKF-LLVKDONJSA-N -2 3 367.365 2.279 20 0 FEADHL CN1CCCc2ccc(S(=O)(=O)[N-]c3ccccc3-c3nn[n-]n3)cc21 ZINC000826034942 608106911 /nfs/dbraw/zinc/10/69/11/608106911.db2.gz ZVYXWWZHPVYEEV-UHFFFAOYSA-N -2 3 370.438 2.050 20 0 FEADHL O=S(=O)([N-][C@H]1CC12CCCCC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487969 608156107 /nfs/dbraw/zinc/15/61/07/608156107.db2.gz FRSOAOABLJCTAF-LBPRGKRZSA-N -2 3 369.397 2.146 20 0 FEADHL CCCc1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000825352359 608490302 /nfs/dbraw/zinc/49/03/02/608490302.db2.gz MPXQZKDEZYBNIV-UHFFFAOYSA-N -2 3 364.456 2.385 20 0 FEADHL CCCc1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000825352359 608490304 /nfs/dbraw/zinc/49/03/04/608490304.db2.gz MPXQZKDEZYBNIV-UHFFFAOYSA-N -2 3 364.456 2.385 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccnc1 ZINC000826492506 609340668 /nfs/dbraw/zinc/34/06/68/609340668.db2.gz OKZVZDLQNABHDI-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000563927816 674954718 /nfs/dbraw/zinc/95/47/18/674954718.db2.gz KJHKEQQIFIKNIE-WRWORJQWSA-N -2 3 353.318 2.323 20 0 FEADHL COC(=O)c1ccccc1CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000564834869 675066388 /nfs/dbraw/zinc/06/63/88/675066388.db2.gz HZUZFMDNGOHITI-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000569118142 670513202 /nfs/dbraw/zinc/51/32/02/670513202.db2.gz PSUSKXXZGJHRIF-OAHLLOKOSA-N -2 3 356.375 2.099 20 0 FEADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000569876022 670626332 /nfs/dbraw/zinc/62/63/32/670626332.db2.gz VQIPJTAPNYXCPC-AAEUAGOBSA-N -2 3 366.361 2.412 20 0 FEADHL CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000571204704 670835672 /nfs/dbraw/zinc/83/56/72/670835672.db2.gz RUOONQKWJQVNPW-DTWKUNHWSA-N -2 3 350.487 2.184 20 0 FEADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000571642158 670905309 /nfs/dbraw/zinc/90/53/09/670905309.db2.gz IDQNBPOQLMMADI-SNVBAGLBSA-N -2 3 365.249 2.012 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000572757454 671041118 /nfs/dbraw/zinc/04/11/18/671041118.db2.gz NPYBHSCEFJDKRG-WFASDCNBSA-N -2 3 351.380 2.034 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cccs1 ZINC000574892661 671284174 /nfs/dbraw/zinc/28/41/74/671284174.db2.gz CPEMSNFKSVWATP-VIFPVBQESA-N -2 3 366.214 2.208 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000575850331 671325430 /nfs/dbraw/zinc/32/54/30/671325430.db2.gz GHJVSFMMVIQKOX-RYUDHWBXSA-N -2 3 352.437 2.297 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000577866405 671625492 /nfs/dbraw/zinc/62/54/92/671625492.db2.gz MHMZXVVRJHIYCZ-NWDGAFQWSA-N -2 3 368.436 2.040 20 0 FEADHL COc1ccc(OCCS(=O)(=O)[N-]c2cccc(C(C)=O)c2[O-])cc1 ZINC000580511530 671813371 /nfs/dbraw/zinc/81/33/71/671813371.db2.gz DSUVSIKYPPNWDK-UHFFFAOYSA-N -2 3 365.407 2.424 20 0 FEADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1F ZINC000548554131 673970738 /nfs/dbraw/zinc/97/07/38/673970738.db2.gz LOHFPDYLQAHYTK-UHFFFAOYSA-N -2 3 369.305 2.046 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(OC)cc1 ZINC000566617459 675229508 /nfs/dbraw/zinc/22/95/08/675229508.db2.gz HFMBEKVWSHRKQU-LLVKDONJSA-N -2 3 356.425 2.280 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@@H]1SCCc2ccccc21 ZINC000567792362 675323078 /nfs/dbraw/zinc/32/30/78/675323078.db2.gz DJAOPBYZZOLHCN-NSHDSACASA-N -2 3 370.477 2.150 20 0 FEADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000824029884 675580697 /nfs/dbraw/zinc/58/06/97/675580697.db2.gz SWIGXQBLVGEQCE-UHFFFAOYSA-N -2 3 361.358 2.009 20 0 FEADHL CCCc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000825348477 675647933 /nfs/dbraw/zinc/64/79/33/675647933.db2.gz MMNVIPZBDGYTRE-UHFFFAOYSA-N -2 3 364.456 2.385 20 0 FEADHL CCCc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000825348477 675647935 /nfs/dbraw/zinc/64/79/35/675647935.db2.gz MMNVIPZBDGYTRE-UHFFFAOYSA-N -2 3 364.456 2.385 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826299873 675685909 /nfs/dbraw/zinc/68/59/09/675685909.db2.gz ZDGDVKYUOCSHAN-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL CCO[C@@H](CS(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1)C1CC1 ZINC000629290741 676841500 /nfs/dbraw/zinc/84/15/00/676841500.db2.gz VWKBRWFEIQTMIV-HNNXBMFYSA-N -2 3 352.412 2.423 20 0 FEADHL CC(C)(O)COc1ccc([N-]S(=O)(=O)c2cc([O-])cc(F)c2)cc1 ZINC000634789354 677082309 /nfs/dbraw/zinc/08/23/09/677082309.db2.gz KDLDAZPSZLVJHH-UHFFFAOYSA-N -2 3 355.387 2.482 20 0 FEADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cccc(Br)c2F)CC1 ZINC000650427933 677373436 /nfs/dbraw/zinc/37/34/36/677373436.db2.gz XDXIEISAOFUBBZ-SSDOTTSWSA-N -2 3 366.208 2.120 20 0 FEADHL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000656164478 677716760 /nfs/dbraw/zinc/71/67/60/677716760.db2.gz LWBKQLFNQALHNJ-MRVPVSSYSA-N -2 3 374.615 2.194 20 0 FEADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-])C1CC1 ZINC000656169431 677719631 /nfs/dbraw/zinc/71/96/31/677719631.db2.gz OVZLKBCXIIHXJS-MNOVXSKESA-N -2 3 365.810 2.026 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)ccc1Cl ZINC000762473311 680750822 /nfs/dbraw/zinc/75/08/22/680750822.db2.gz IOFWQFNKMGYZFG-UHFFFAOYSA-N -2 3 359.762 2.470 20 0 FEADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F ZINC000663293386 678717285 /nfs/dbraw/zinc/71/72/85/678717285.db2.gz FUPQZHDQUJXTHL-VIFPVBQESA-N -2 3 357.325 2.456 20 0 FEADHL CO[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C1CC1 ZINC000840889681 680849609 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CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000776562805 681405904 /nfs/dbraw/zinc/40/59/04/681405904.db2.gz CIJCAXBOAZPYET-SNVBAGLBSA-N -2 3 364.876 2.166 20 0 FEADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000776615971 681417815 /nfs/dbraw/zinc/41/78/15/681417815.db2.gz NOGUQZZKTJYRJA-PSASIEDQSA-N -2 3 365.249 2.012 20 0 FEADHL Cc1ccc(F)cc1CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852733747 682329026 /nfs/dbraw/zinc/32/90/26/682329026.db2.gz YCFGSWZKTLGBQP-CHWSQXEVSA-N -2 3 362.323 2.230 20 0 FEADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000794914489 683002768 /nfs/dbraw/zinc/00/27/68/683002768.db2.gz NAXXEXCSTUAAKK-JTQLQIEISA-N -2 3 353.227 2.310 20 0 FEADHL CCc1ccnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000797816168 683275339 /nfs/dbraw/zinc/27/53/39/683275339.db2.gz IZVKELNJOIWBFJ-UHFFFAOYSA-N -2 3 356.350 2.099 20 0 FEADHL CC(C)OC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000863419093 683721061 /nfs/dbraw/zinc/72/10/61/683721061.db2.gz SRMHNBCCNZVYNH-VIFPVBQESA-N -2 3 356.227 2.150 20 0 FEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)s1 ZINC000871955696 684893715 /nfs/dbraw/zinc/89/37/15/684893715.db2.gz XTAKPAJMRSNWJP-POYBYMJQSA-N -2 3 366.258 2.286 20 0 FEADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000887331592 688407363 /nfs/dbraw/zinc/40/73/63/688407363.db2.gz YJWQCUZUEFQFSJ-OUAUKWLOSA-N -2 3 360.863 2.457 20 0 FEADHL O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2[O-])CO1 ZINC000901983182 690726156 /nfs/dbraw/zinc/72/61/56/690726156.db2.gz BNFWERRPNKOIEA-SCZZXKLOSA-N -2 3 358.188 2.363 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C1CCCC1 ZINC000903025362 690833820 /nfs/dbraw/zinc/83/38/20/690833820.db2.gz CEQYITJVQJXNDB-NSHDSACASA-N -2 3 366.361 2.412 20 0 FEADHL C[C@]1(C(=O)[O-])C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000906010398 691213051 /nfs/dbraw/zinc/21/30/51/691213051.db2.gz OBZFUIRQTVZFOK-NOZJJQNGSA-N -2 3 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ZINC000871999135 684909213 /nfs/dbraw/zinc/90/92/13/684909213.db2.gz FZXPFPOKGOLSMI-ZETCQYMHSA-N -2 3 363.404 2.084 20 0 FEADHL CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)ccc21 ZINC000131402802 544188988 /nfs/dbraw/zinc/18/89/88/544188988.db2.gz WAXPEFTZNLNEJV-UHFFFAOYSA-N -2 3 350.371 2.241 20 0 FEADHL CCOC(=O)c1cnc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)c(Cl)c1 ZINC000152619404 544674538 /nfs/dbraw/zinc/67/45/38/544674538.db2.gz QUJRDNCQMGXHMZ-UHFFFAOYSA-N -2 3 363.683 2.301 20 0 FEADHL O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000263399697 328937653 /nfs/dbraw/zinc/93/76/53/328937653.db2.gz GETPSPMFMYCJMO-GDBMZVCRSA-N -2 3 374.437 2.100 20 0 FEADHL CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000276396905 330148361 /nfs/dbraw/zinc/14/83/61/330148361.db2.gz NTVJVKMHLNYVAA-UHFFFAOYSA-N -2 3 367.826 2.397 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1cccs1 ZINC000555374902 674358437 /nfs/dbraw/zinc/35/84/37/674358437.db2.gz NWFBTEWWPYQXLC-SNVBAGLBSA-N -2 3 366.342 2.266 20 0 FEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(F)c1 ZINC000477402433 561144025 /nfs/dbraw/zinc/14/40/25/561144025.db2.gz GXVAVGZPGBUYKG-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL Cc1ncoc1C(=O)[N-]c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000477481047 561146082 /nfs/dbraw/zinc/14/60/82/561146082.db2.gz ZHBBALXBWOYQPS-UHFFFAOYSA-N -2 3 373.793 2.469 20 0 FEADHL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2ccc([O-])c(C(=O)OC)c2)cn1 ZINC000478700223 561173014 /nfs/dbraw/zinc/17/30/14/561173014.db2.gz GAPDBVNMFGWBNI-JTQLQIEISA-N -2 3 365.411 2.283 20 0 FEADHL O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1cccc(Cl)c1[O-] ZINC000172357715 546249884 /nfs/dbraw/zinc/24/98/84/546249884.db2.gz WLYYAINNWZOMCN-UHFFFAOYSA-N -2 3 360.844 2.414 20 0 FEADHL O=S(=O)([N-]Cc1ncccc1[O-])c1ccc(Br)cc1F ZINC000480731306 561215506 /nfs/dbraw/zinc/21/55/06/561215506.db2.gz WZVOUVABXAWZCD-UHFFFAOYSA-N -2 3 361.192 2.167 20 0 FEADHL CC(C)CCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])n1 ZINC000481602091 561237065 /nfs/dbraw/zinc/23/70/65/561237065.db2.gz UXMHIOGEXZZQQF-UHFFFAOYSA-N -3 3 353.400 2.134 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000486798268 561356915 /nfs/dbraw/zinc/35/69/15/561356915.db2.gz PSEXYXAORSSXQW-UHFFFAOYSA-N -2 3 367.337 2.269 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000486798268 561356916 /nfs/dbraw/zinc/35/69/16/561356916.db2.gz PSEXYXAORSSXQW-UHFFFAOYSA-N -2 3 367.337 2.269 20 0 FEADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000262160682 549794064 /nfs/dbraw/zinc/79/40/64/549794064.db2.gz CAYXULFYWLCLGJ-CPCISQLKSA-N -2 3 368.224 2.366 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)ccc1[O-] ZINC000263856835 549946294 /nfs/dbraw/zinc/94/62/94/549946294.db2.gz UFUKYRBUUAZCKX-UHFFFAOYSA-N -2 3 354.409 2.314 20 0 FEADHL CCC1(C[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)CCOCC1 ZINC000273681187 550507724 /nfs/dbraw/zinc/50/77/24/550507724.db2.gz HKWIIDNAPHFCFV-UHFFFAOYSA-N -2 3 359.419 2.317 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCO2)cc(Cl)c1Cl ZINC000273813641 550512229 /nfs/dbraw/zinc/51/22/29/550512229.db2.gz ZFNZKKGJUNAREU-ZETCQYMHSA-N -2 3 354.211 2.149 20 0 FEADHL CC(C)(O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000274766714 550553201 /nfs/dbraw/zinc/55/32/01/550553201.db2.gz KWDIYZWSFPYGTR-UHFFFAOYSA-N -2 3 356.227 2.131 20 0 FEADHL CCC(CC)S(=O)(=O)[N-]c1cc(S(=O)(=O)CC)ccc1C(=O)[O-] ZINC000274984004 550569427 /nfs/dbraw/zinc/56/94/27/550569427.db2.gz JXDVVNPHCGFUTN-UHFFFAOYSA-N -2 3 363.457 2.109 20 0 FEADHL CCOc1cc(-c2noc([C@H](C)[N-]S(C)(=O)=O)n2)cc(Cl)c1[O-] ZINC000278172441 550756881 /nfs/dbraw/zinc/75/68/81/550756881.db2.gz WKQFBIVRXOBIHK-ZETCQYMHSA-N -2 3 361.807 2.105 20 0 FEADHL COC(=O)c1cnc(SCCCCSc2ncc(C(=O)OC)[n-]2)[n-]1 ZINC000278680762 550810831 /nfs/dbraw/zinc/81/08/31/550810831.db2.gz OZSQQMMWEALQBA-UHFFFAOYSA-N -2 3 370.456 2.371 20 0 FEADHL COC(=O)c1c[n-]c(SCCCCSc2ncc(C(=O)OC)[n-]2)n1 ZINC000278680762 550810832 /nfs/dbraw/zinc/81/08/32/550810832.db2.gz OZSQQMMWEALQBA-UHFFFAOYSA-N -2 3 370.456 2.371 20 0 FEADHL COC(=O)c1c[n-]c(SCCCCSc2nc(C(=O)OC)c[n-]2)n1 ZINC000278680762 550810833 /nfs/dbraw/zinc/81/08/33/550810833.db2.gz OZSQQMMWEALQBA-UHFFFAOYSA-N -2 3 370.456 2.371 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCSC2)cc(Cl)c1Cl ZINC000279918154 550942982 /nfs/dbraw/zinc/94/29/82/550942982.db2.gz FAVSFUXUEVGNIV-LURJTMIESA-N -2 3 356.252 2.475 20 0 FEADHL Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)n1 ZINC000284158564 551494412 /nfs/dbraw/zinc/49/44/12/551494412.db2.gz WFJMDBSDPSCIPW-UHFFFAOYSA-N -2 3 367.427 2.413 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000530153754 562400414 /nfs/dbraw/zinc/40/04/14/562400414.db2.gz PAXKDIHVIDMLAJ-DVVUODLYSA-N -2 3 370.839 2.111 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]CCCc2nccs2)cc1C(=O)[O-] ZINC000290727458 552527349 /nfs/dbraw/zinc/52/73/49/552527349.db2.gz VSGXGXHFECUCMU-UHFFFAOYSA-N -2 3 358.416 2.200 20 0 FEADHL CCc1ccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c([O-])c1 ZINC000291080968 552584767 /nfs/dbraw/zinc/58/47/67/552584767.db2.gz JTODNBJQHSAZKQ-GFCCVEGCSA-N -2 3 358.360 2.485 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)CCC1 ZINC000291105542 552587087 /nfs/dbraw/zinc/58/70/87/552587087.db2.gz MDJYRGXDBOKVDB-UHFFFAOYSA-N -2 3 369.439 2.179 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])co1 ZINC000501945240 561608596 /nfs/dbraw/zinc/60/85/96/561608596.db2.gz ILLUMLCBGBCDFJ-UHFFFAOYSA-N -2 3 352.412 2.443 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])oc1C ZINC000296821711 553216205 /nfs/dbraw/zinc/21/62/05/553216205.db2.gz AOUVGWXOBISYQK-YPMHNXCESA-N -2 3 373.427 2.077 20 0 FEADHL Cc1nc(C=Cc2ccc(OCCC(=O)[O-])cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000504722539 561661637 /nfs/dbraw/zinc/66/16/37/561661637.db2.gz VTIFAJFZQHQNIE-DAXSKMNVSA-N -3 3 358.350 2.142 20 0 FEADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000321065378 553765873 /nfs/dbraw/zinc/76/58/73/553765873.db2.gz ZXKACXOSZXYJER-VHSXEESVSA-N -2 3 363.457 2.093 20 0 FEADHL CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000320797167 553765979 /nfs/dbraw/zinc/76/59/79/553765979.db2.gz JFJQNDKSMDYSLG-UHFFFAOYSA-N -2 3 374.827 2.260 20 0 FEADHL CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000326920535 553784250 /nfs/dbraw/zinc/78/42/50/553784250.db2.gz RHZWHPIQKVSCCE-UHFFFAOYSA-N -2 3 366.370 2.212 20 0 FEADHL C[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C)ccc2C)ccc1F ZINC000507639592 561736175 /nfs/dbraw/zinc/73/61/75/561736175.db2.gz WROSTHRAHACRJX-UHFFFAOYSA-N -2 3 372.443 2.151 20 0 FEADHL CCN=c1[n-]c(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])cs1 ZINC000614823446 555122880 /nfs/dbraw/zinc/12/28/80/555122880.db2.gz QOTBFOSPQIMLEI-NXEZZACHSA-N -2 3 363.443 2.069 20 0 FEADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)cc1 ZINC000513309901 561933053 /nfs/dbraw/zinc/93/30/53/561933053.db2.gz GPVVUVLUKXZHQB-UHFFFAOYSA-N -2 3 372.406 2.290 20 0 FEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000515031002 561992820 /nfs/dbraw/zinc/99/28/20/561992820.db2.gz XEVGRPXOKRUJBU-CYBMUJFWSA-N -2 3 369.826 2.495 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)c2ccccc2)o1 ZINC000516056778 562029144 /nfs/dbraw/zinc/02/91/44/562029144.db2.gz ARXFFFBGFLOCOY-JSGCOSHPSA-N -2 3 365.407 2.424 20 0 FEADHL COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCC1 ZINC000517027060 562071955 /nfs/dbraw/zinc/07/19/55/562071955.db2.gz DKQWNCUGJFTXFP-UHFFFAOYSA-N -2 3 365.407 2.387 20 0 FEADHL COc1cc(F)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1OC ZINC000518075168 562103891 /nfs/dbraw/zinc/10/38/91/562103891.db2.gz PNPKBHPZPCMXEP-UHFFFAOYSA-N -2 3 355.343 2.342 20 0 FEADHL COc1ccccc1C[C@H](C[N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000519096306 562124857 /nfs/dbraw/zinc/12/48/57/562124857.db2.gz QYIVALMXMYZOMM-CYBMUJFWSA-N -2 3 369.464 2.287 20 0 FEADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)no1 ZINC000519163001 562126449 /nfs/dbraw/zinc/12/64/49/562126449.db2.gz NICBWLPFXIBQMF-MRVPVSSYSA-N -2 3 372.365 2.045 20 0 FEADHL Cc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)on1 ZINC000519542526 562134211 /nfs/dbraw/zinc/13/42/11/562134211.db2.gz LDARLTFLNJLAEW-UHFFFAOYSA-N -2 3 350.396 2.039 20 0 FEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)ccc21 ZINC000520712518 562162059 /nfs/dbraw/zinc/16/20/59/562162059.db2.gz JUDROIQHWSYRCZ-UHFFFAOYSA-N -2 3 354.746 2.164 20 0 FEADHL O=C([O-])c1ccoc1CC1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000374095478 557822679 /nfs/dbraw/zinc/82/26/79/557822679.db2.gz TWQZWUDAROXDDG-UHFFFAOYSA-N -2 3 354.366 2.344 20 0 FEADHL CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3ccc(Cl)cc3)n[n-]2)o1 ZINC000522215105 562194502 /nfs/dbraw/zinc/19/45/02/562194502.db2.gz HVAAEXGLAXUZRJ-UHFFFAOYSA-N -2 3 366.786 2.374 20 0 FEADHL CC(=O)c1cnc([N-]C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000524042201 562223294 /nfs/dbraw/zinc/22/32/94/562223294.db2.gz ZXKITVHGADKVQH-UHFFFAOYSA-N -2 3 371.440 2.268 20 0 FEADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000526060104 562265542 /nfs/dbraw/zinc/26/55/42/562265542.db2.gz WRUBMVFXHCWUOD-SNVBAGLBSA-N -2 3 364.807 2.348 20 0 FEADHL O=S(=O)(CCOCC1CC1)[N-]c1ccc(OC(F)(F)F)cc1[O-] ZINC000424064192 559653301 /nfs/dbraw/zinc/65/33/01/559653301.db2.gz JSCBOJGMTUOUDG-UHFFFAOYSA-N -2 3 355.334 2.459 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000436474903 559942355 /nfs/dbraw/zinc/94/23/55/559942355.db2.gz FXHBCSZYAGRAJF-JTQLQIEISA-N -2 3 363.391 2.303 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)ccc1[O-] ZINC000436863471 559954627 /nfs/dbraw/zinc/95/46/27/559954627.db2.gz KPALYVGZYCYOLT-UHFFFAOYSA-N -2 3 360.391 2.471 20 0 FEADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2C[C@@H](C)Oc3ccccc32)c1 ZINC000436866692 559954948 /nfs/dbraw/zinc/95/49/48/559954948.db2.gz ZURPNDGKVMTUSV-LLVKDONJSA-N -2 3 363.391 2.375 20 0 FEADHL CCOc1ncccc1C(=O)N=c1nc(-c2ccc([O-])c(Cl)c2)[nH][n-]1 ZINC000436916352 559956128 /nfs/dbraw/zinc/95/61/28/559956128.db2.gz SSLBEPAYPMTQRM-UHFFFAOYSA-N -2 3 359.773 2.877 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000436994936 559959000 /nfs/dbraw/zinc/95/90/00/559959000.db2.gz PEMZLNNTEKUUNK-UHFFFAOYSA-N -4 3 371.754 2.243 20 0 FEADHL CCc1[n-][nH]c(=NC(=O)c2cncc([O-])c2)c1-c1ccc2c(c1)OCO2 ZINC000440460635 560011436 /nfs/dbraw/zinc/01/14/36/560011436.db2.gz BHIFMQWBKFVVPI-UHFFFAOYSA-N -2 3 352.350 2.721 20 0 FEADHL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cnn1CCC(C)C ZINC000440817045 560018743 /nfs/dbraw/zinc/01/87/43/560018743.db2.gz FDEPLXXXDRWITO-UHFFFAOYSA-N -3 3 367.427 2.442 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c(C)o1 ZINC000474431961 561073871 /nfs/dbraw/zinc/07/38/71/561073871.db2.gz JKEILKCFVVCSEB-UHFFFAOYSA-N -2 3 362.766 2.247 20 0 FEADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529703682 562381897 /nfs/dbraw/zinc/38/18/97/562381897.db2.gz KTSDHOKUOHXYFR-UHFFFAOYSA-N -2 3 370.438 2.129 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2)c(F)c1 ZINC000530333597 562407245 /nfs/dbraw/zinc/40/72/45/562407245.db2.gz ZMYQLIABSSSHBU-UHFFFAOYSA-N -2 3 359.325 2.323 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2C ZINC000531808430 562457293 /nfs/dbraw/zinc/45/72/93/562457293.db2.gz NYINMOZAJLTUSO-UHFFFAOYSA-N -2 3 374.418 2.403 20 0 FEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1C(=O)[O-] ZINC000536392137 562574681 /nfs/dbraw/zinc/57/46/81/562574681.db2.gz VPHWOAXMTHVXCU-UHFFFAOYSA-N -2 3 364.354 2.128 20 0 FEADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000735495359 598841024 /nfs/dbraw/zinc/84/10/24/598841024.db2.gz GTZDMGONTDGCHP-UHFFFAOYSA-N -2 3 361.358 2.009 20 0 FEADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000735495359 598841026 /nfs/dbraw/zinc/84/10/26/598841026.db2.gz GTZDMGONTDGCHP-UHFFFAOYSA-N -2 3 361.358 2.009 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000737301443 598931696 /nfs/dbraw/zinc/93/16/96/598931696.db2.gz NPWKSRYEECKILK-UHFFFAOYSA-N -2 3 373.442 2.063 20 0 FEADHL O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738344249 599042684 /nfs/dbraw/zinc/04/26/84/599042684.db2.gz DDVBQMYIUSSSON-UHFFFAOYSA-N -2 3 373.291 2.224 20 0 FEADHL O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738344249 599042687 /nfs/dbraw/zinc/04/26/87/599042687.db2.gz DDVBQMYIUSSSON-UHFFFAOYSA-N -2 3 373.291 2.224 20 0 FEADHL C[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322453 599299153 /nfs/dbraw/zinc/29/91/53/599299153.db2.gz STJFDNSAFMMELA-LRDDRELGSA-N -2 3 365.393 2.302 20 0 FEADHL C[C@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322453 599299154 /nfs/dbraw/zinc/29/91/54/599299154.db2.gz STJFDNSAFMMELA-LRDDRELGSA-N -2 3 365.393 2.302 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCSCc2ccccc2F)o1 ZINC000740176838 599767057 /nfs/dbraw/zinc/76/70/57/599767057.db2.gz SZTIOGSYSHGHCD-UHFFFAOYSA-N -2 3 359.400 2.329 20 0 FEADHL CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])c1 ZINC000736165900 600101858 /nfs/dbraw/zinc/10/18/58/600101858.db2.gz UBGYVRNDUKWQEI-OAHLLOKOSA-N -2 3 370.405 2.332 20 0 FEADHL O=C([O-])[C@@H](CNC(=O)c1nnc2ccccc2c1[O-])Cc1cccc(F)c1 ZINC000739402977 600363092 /nfs/dbraw/zinc/36/30/92/600363092.db2.gz NTWBZZKMSHJGSF-GFCCVEGCSA-N -2 3 369.352 2.148 20 0 FEADHL COc1ccc(N[C@H](C(=O)[O-])c2ccc(F)cc2)cc1[N-]S(C)(=O)=O ZINC000738040383 600420279 /nfs/dbraw/zinc/42/02/79/600420279.db2.gz TVQVGCOSWVEONH-HNNXBMFYSA-N -2 3 368.386 2.444 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])s1 ZINC000581107603 600757867 /nfs/dbraw/zinc/75/78/67/600757867.db2.gz HNNMJAXIDWZBRG-UHFFFAOYSA-N -2 3 356.263 2.351 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCOc3ccccc32)c1F ZINC000327316768 601228969 /nfs/dbraw/zinc/22/89/69/601228969.db2.gz YAUVFRBTFDXCBM-LLVKDONJSA-N -2 3 369.345 2.465 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@](C)(C(=O)[O-])C2CC2)sc1Br ZINC000126254109 601256527 /nfs/dbraw/zinc/25/65/27/601256527.db2.gz YYURLQDZUDRTAT-LLVKDONJSA-N -2 3 368.274 2.351 20 0 FEADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1F ZINC000324875281 601321437 /nfs/dbraw/zinc/32/14/37/601321437.db2.gz LFDJZFNJZCQKRP-UHFFFAOYSA-N -3 3 357.290 2.162 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)ccc1F ZINC000057119918 601325573 /nfs/dbraw/zinc/32/55/73/601325573.db2.gz GYMGUMRJEJBERW-UHFFFAOYSA-N -2 3 363.322 2.431 20 0 FEADHL CN1CCOc2ccc([N-]S(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)cc21 ZINC000830963301 601362504 /nfs/dbraw/zinc/36/25/04/601362504.db2.gz CAMSARMUDNLJMX-RUDMXATFSA-N -2 3 374.418 2.414 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)CCO2 ZINC000832917914 601362720 /nfs/dbraw/zinc/36/27/20/601362720.db2.gz CYBYDRPSWGAVBC-UHFFFAOYSA-N -2 3 362.407 2.323 20 0 FEADHL Cc1nc(C)c(CC(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)c(=O)[n-]1 ZINC000832994618 601443533 /nfs/dbraw/zinc/44/35/33/601443533.db2.gz NTEABWGFAVCSJE-UHFFFAOYSA-N -2 3 364.427 2.432 20 0 FEADHL CCC1CCC(NCC2=Nc3ccccc3S(=O)(=O)[N-]2)(C(=O)[O-])CC1 ZINC000829107223 601494334 /nfs/dbraw/zinc/49/43/34/601494334.db2.gz KHJGTMZEDFHAIM-UHFFFAOYSA-N -2 3 365.455 2.022 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)C2CC2)c1-c1nnn[n-]1 ZINC000826303975 607536529 /nfs/dbraw/zinc/53/65/29/607536529.db2.gz PNWFONXEWBSZTM-LLVKDONJSA-N -2 3 373.442 2.143 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccnn2[C@H](C)C2CC2)c1-c1nn[n-]n1 ZINC000826303975 607536530 /nfs/dbraw/zinc/53/65/30/607536530.db2.gz PNWFONXEWBSZTM-LLVKDONJSA-N -2 3 373.442 2.143 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(C(=O)[O-])s2)cc1 ZINC000832699393 601999468 /nfs/dbraw/zinc/99/94/68/601999468.db2.gz ITOWXEOYVZEFPA-UHFFFAOYSA-N -2 3 355.393 2.175 20 0 FEADHL O=C([O-])N(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000740488647 602045533 /nfs/dbraw/zinc/04/55/33/602045533.db2.gz PEZTZQYDYJMNIX-UHFFFAOYSA-N -2 3 353.227 2.414 20 0 FEADHL O=C([O-])c1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000653550297 602059240 /nfs/dbraw/zinc/05/92/40/602059240.db2.gz NHECDLGEVQCYTC-INIZCTEOSA-N -2 3 368.389 2.011 20 0 FEADHL CC1(C)C([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1(C)C ZINC000118723709 602161891 /nfs/dbraw/zinc/16/18/91/602161891.db2.gz ITLCBFUJEHZBNF-UHFFFAOYSA-N -2 3 366.233 2.453 20 0 FEADHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC(C)(C)C ZINC000826808934 602172555 /nfs/dbraw/zinc/17/25/55/602172555.db2.gz VYOBNIRBIOLFFL-JTQLQIEISA-N -2 3 361.416 2.013 20 0 FEADHL CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)C[C@H](C)C(=O)[O-])n2)cc1 ZINC000830229365 602172927 /nfs/dbraw/zinc/17/29/27/602172927.db2.gz RDDGQHDCMFHNRD-QWRGUYRKSA-N -2 3 367.427 2.000 20 0 FEADHL Cc1nc(C)c(CCC(=O)Nc2cccc(OCCNC(=O)[O-])c2)c(=O)[n-]1 ZINC000740216105 602275407 /nfs/dbraw/zinc/27/54/07/602275407.db2.gz DGXBSLMXHRWTMN-UHFFFAOYSA-N -2 3 374.397 2.017 20 0 FEADHL Cc1cc(=O)[n-]c(CN[C@](C)(C(=O)[O-])c2cccc(Br)c2)n1 ZINC000832899391 602312009 /nfs/dbraw/zinc/31/20/09/602312009.db2.gz NVSUNBFRDDWOLB-HNNXBMFYSA-N -2 3 366.215 2.343 20 0 FEADHL O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000740458584 602470089 /nfs/dbraw/zinc/47/00/89/602470089.db2.gz FOWHEHATUXYTAO-YUTCNCBUSA-N -2 3 356.386 2.116 20 0 FEADHL Cc1nc(C)c(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c(=O)[n-]1 ZINC000740219847 602508742 /nfs/dbraw/zinc/50/87/42/602508742.db2.gz VWGZKTLAIQMRRU-UHFFFAOYSA-N -2 3 356.382 2.411 20 0 FEADHL COC(=O)c1cc([N-]C(=O)c2csc(CNC(=O)[O-])n2)c(F)cc1F ZINC000739783177 602697154 /nfs/dbraw/zinc/69/71/54/602697154.db2.gz ZBSZRTHVLDSSJY-UHFFFAOYSA-N -2 3 371.321 2.228 20 0 FEADHL C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823716061 602806620 /nfs/dbraw/zinc/80/66/20/602806620.db2.gz WIRZGSLVDSHLSH-IAQYHMDHSA-N -2 3 366.381 2.450 20 0 FEADHL O=C([O-])N1CCC(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000740495683 602879035 /nfs/dbraw/zinc/87/90/35/602879035.db2.gz BOWKGDRPYRELJU-UHFFFAOYSA-N -2 3 368.242 2.057 20 0 FEADHL O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000740517260 603057535 /nfs/dbraw/zinc/05/75/35/603057535.db2.gz OFAXSKIYTWLYKX-HUUCEWRRSA-N -2 3 370.409 2.473 20 0 FEADHL O=C([O-])NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000832493192 603129538 /nfs/dbraw/zinc/12/95/38/603129538.db2.gz ZQLSYTUSKWCPKD-WCBMZHEXSA-N -2 3 350.799 2.194 20 0 FEADHL CSCC[C@H](NC(=O)[O-])C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000829737269 603915703 /nfs/dbraw/zinc/91/57/03/603915703.db2.gz GOPOGNVUZOJGFO-VIFPVBQESA-N -2 3 371.369 2.078 20 0 FEADHL O=C([O-])N1CCc2c1cccc2NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000831768292 603965294 /nfs/dbraw/zinc/96/52/94/603965294.db2.gz MOAQEVCFNWDHAS-UHFFFAOYSA-N -2 3 366.333 2.255 20 0 FEADHL C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000825272691 604027615 /nfs/dbraw/zinc/02/76/15/604027615.db2.gz NAFHZGVJKVUCQD-NWDGAFQWSA-N -2 3 362.459 2.328 20 0 FEADHL O=C([O-])N1CCC[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000831714987 604298021 /nfs/dbraw/zinc/29/80/21/604298021.db2.gz KVIVALGFBHATQK-SNVBAGLBSA-N -2 3 372.219 2.096 20 0 FEADHL O=C([O-])c1cccc(C(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC000833328462 604372247 /nfs/dbraw/zinc/37/22/47/604372247.db2.gz NZORUQDSTZVWIP-UHFFFAOYSA-N -2 3 351.156 2.178 20 0 FEADHL COc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cc(OC)c1[O-] ZINC000833726759 604485591 /nfs/dbraw/zinc/48/55/91/604485591.db2.gz IHZQIUNOJKFGKS-SNVBAGLBSA-N -2 3 351.380 2.417 20 0 FEADHL O=C([O-])N1CCC(NC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000831715498 604973284 /nfs/dbraw/zinc/97/32/84/604973284.db2.gz RIJKOIJHQMQPHL-UHFFFAOYSA-N -2 3 372.219 2.096 20 0 FEADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1(CC)CC ZINC000577059540 605043676 /nfs/dbraw/zinc/04/36/76/605043676.db2.gz WUGRDPRJQAHFGD-GHMZBOCLSA-N -2 3 362.473 2.103 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(Cl)n1 ZINC000769640597 605164363 /nfs/dbraw/zinc/16/43/63/605164363.db2.gz WLZLPRWRRMYURO-UHFFFAOYSA-N -2 3 360.750 2.382 20 0 FEADHL C[C@H]1CN(C(=O)[O-])CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000826026443 605190070 /nfs/dbraw/zinc/19/00/70/605190070.db2.gz LEEPALCFYWECBC-VIFPVBQESA-N -2 3 372.219 2.048 20 0 FEADHL O=C([O-])N(CC(=O)NCc1ccc([O-])c(Br)c1)CC1CC1 ZINC000831464839 605415558 /nfs/dbraw/zinc/41/55/58/605415558.db2.gz ZEZXROSOTHUZIR-UHFFFAOYSA-N -2 3 357.204 2.161 20 0 FEADHL O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000831757117 605687424 /nfs/dbraw/zinc/68/74/24/605687424.db2.gz JXMXCMOLTAAFHD-OAHLLOKOSA-N -2 3 364.365 2.083 20 0 FEADHL O=C([O-])Nc1cnc(C(=O)Nc2cc(Br)ccc2[O-])cn1 ZINC000834276894 606063078 /nfs/dbraw/zinc/06/30/78/606063078.db2.gz BQGXUDJZPDVKED-UHFFFAOYSA-N -2 3 353.132 2.287 20 0 FEADHL Cc1nc(C)c(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000822431601 606209109 /nfs/dbraw/zinc/20/91/09/606209109.db2.gz BMZZORULBGMZIA-UHFFFAOYSA-N -2 3 350.429 2.049 20 0 FEADHL Cc1nc(C)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000822431601 606209110 /nfs/dbraw/zinc/20/91/10/606209110.db2.gz BMZZORULBGMZIA-UHFFFAOYSA-N -2 3 350.429 2.049 20 0 FEADHL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000821486583 606210166 /nfs/dbraw/zinc/21/01/66/606210166.db2.gz HLXXBAQRFJZJSN-UHFFFAOYSA-N -2 3 359.411 2.244 20 0 FEADHL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825776385 607847361 /nfs/dbraw/zinc/84/73/61/607847361.db2.gz HNWAJRYFPYGMHX-UHFFFAOYSA-N -2 3 368.806 2.180 20 0 FEADHL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825776385 607847362 /nfs/dbraw/zinc/84/73/62/607847362.db2.gz HNWAJRYFPYGMHX-UHFFFAOYSA-N -2 3 368.806 2.180 20 0 FEADHL CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825052138 609146690 /nfs/dbraw/zinc/14/66/90/609146690.db2.gz UYFHJCDFENAJMT-RKDXNWHRSA-N -2 3 371.850 2.007 20 0 FEADHL CC[C@@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825052138 609146693 /nfs/dbraw/zinc/14/66/93/609146693.db2.gz UYFHJCDFENAJMT-RKDXNWHRSA-N -2 3 371.850 2.007 20 0 FEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000826186628 609371421 /nfs/dbraw/zinc/37/14/21/609371421.db2.gz CXUUBSGQCLNYSJ-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1O ZINC000826299562 609528771 /nfs/dbraw/zinc/52/87/71/609528771.db2.gz KYUMAYMLXKZBFF-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1O ZINC000826299562 609528774 /nfs/dbraw/zinc/52/87/74/609528774.db2.gz KYUMAYMLXKZBFF-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C(=O)[O-] ZINC000563607702 674915946 /nfs/dbraw/zinc/91/59/46/674915946.db2.gz YJRKLJUGAHILMB-SECBINFHSA-N -2 3 354.197 2.038 20 0 FEADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000563927022 674954269 /nfs/dbraw/zinc/95/42/69/674954269.db2.gz AMQLNPDTKQAFJK-VIFPVBQESA-N -2 3 354.350 2.268 20 0 FEADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000024433405 670054871 /nfs/dbraw/zinc/05/48/71/670054871.db2.gz HSEQTLQRMLUKTR-UHFFFAOYSA-N -2 3 352.299 2.172 20 0 FEADHL Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000572637145 671026505 /nfs/dbraw/zinc/02/65/05/671026505.db2.gz QWJCGPXRFINJCG-HOCLYGCPSA-N -2 3 365.407 2.485 20 0 FEADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000566118952 675183254 /nfs/dbraw/zinc/18/32/54/675183254.db2.gz LTYRGCSRYQDBNH-GZMMTYOYSA-N -2 3 354.350 2.124 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)c1 ZINC000574874200 671282833 /nfs/dbraw/zinc/28/28/33/671282833.db2.gz MBQAGHNVPBYKSD-UHFFFAOYSA-N -2 3 370.452 2.224 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000575865732 671327088 /nfs/dbraw/zinc/32/70/88/671327088.db2.gz QUUUFOSDVZQAJY-HIFRSBDPSA-N -2 3 369.370 2.316 20 0 FEADHL Cc1ncc(CNC(=O)N=c2nc(Sc3ccccc3)[n-]s2)c(=O)[n-]1 ZINC000575909762 671330218 /nfs/dbraw/zinc/33/02/18/671330218.db2.gz SLCOEAGRXSQXRP-UHFFFAOYSA-N -2 3 374.451 2.237 20 0 FEADHL Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000583082282 672062126 /nfs/dbraw/zinc/06/21/26/672062126.db2.gz OJZFWFWMAJELKS-XJKSGUPXSA-N -2 3 365.407 2.485 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)c[n-]1 ZINC000585730882 672227865 /nfs/dbraw/zinc/22/78/65/672227865.db2.gz MLMVOKGEMQKZJL-UHFFFAOYSA-N -2 3 353.400 2.094 20 0 FEADHL O=C([N-]NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(Cl)cc1F ZINC000187647488 672575063 /nfs/dbraw/zinc/57/50/63/672575063.db2.gz WGKIPGYLAQYHIN-UHFFFAOYSA-N -2 3 353.693 2.168 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000319885316 673037998 /nfs/dbraw/zinc/03/79/98/673037998.db2.gz WGBCURWAFSPDRI-UHFFFAOYSA-N -2 3 362.791 2.314 20 0 FEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1F ZINC000538299072 673432711 /nfs/dbraw/zinc/43/27/11/673432711.db2.gz PXILIHJNIQHSEY-UHFFFAOYSA-N -2 3 355.343 2.127 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)c1 ZINC000540497388 673543613 /nfs/dbraw/zinc/54/36/13/673543613.db2.gz QYEGPRKLMNPYPW-UHFFFAOYSA-N -2 3 362.407 2.111 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])n2)sc1Cl ZINC000542860594 673611592 /nfs/dbraw/zinc/61/15/92/673611592.db2.gz ZSLKVBAIBAGTRG-UHFFFAOYSA-N -2 3 360.844 2.324 20 0 FEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C1CCOCC1 ZINC000547581240 673868060 /nfs/dbraw/zinc/86/80/60/673868060.db2.gz MUGLBKLWUONNPT-LLVKDONJSA-N -2 3 365.810 2.027 20 0 FEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)c1 ZINC000547614968 673874820 /nfs/dbraw/zinc/87/48/20/673874820.db2.gz JPIHKPPPKWLOGZ-JTQLQIEISA-N -2 3 363.457 2.093 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])s1 ZINC000547617103 673875616 /nfs/dbraw/zinc/87/56/16/673875616.db2.gz HTBDWQWCECHAET-NXEZZACHSA-N -2 3 363.457 2.093 20 0 FEADHL CCCSC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000547908430 673902850 /nfs/dbraw/zinc/90/28/50/673902850.db2.gz MJILZPNNPJNUAC-SNVBAGLBSA-N -2 3 355.840 2.354 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2C)C(=O)[O-])s1 ZINC000548216644 673936134 /nfs/dbraw/zinc/93/61/34/673936134.db2.gz JRNRZZRVJNVCEZ-CYBMUJFWSA-N -2 3 368.480 2.236 20 0 FEADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548555287 673971081 /nfs/dbraw/zinc/97/10/81/673971081.db2.gz FHARXYDLGCJFCK-VIFPVBQESA-N -2 3 365.249 2.156 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC2)c1Cl ZINC000548534299 673967195 /nfs/dbraw/zinc/96/71/95/673967195.db2.gz LYTAEOPYNYSEGE-KCJUWKMLSA-N -2 3 368.238 2.070 20 0 FEADHL CCCSC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000548565306 673973322 /nfs/dbraw/zinc/97/33/22/673973322.db2.gz MBLJPCLDUHFVCT-LLVKDONJSA-N -2 3 353.412 2.148 20 0 FEADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000548596670 673978452 /nfs/dbraw/zinc/97/84/52/673978452.db2.gz PYSAFNKJAIJZMT-VIFPVBQESA-N -2 3 368.224 2.223 20 0 FEADHL COC1(C[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C(=O)[O-])CCC1 ZINC000650432163 677374038 /nfs/dbraw/zinc/37/40/38/677374038.db2.gz OOWOLPKSKCKPDP-QMMMGPOBSA-N -2 3 353.849 2.092 20 0 FEADHL CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)cc2C1 ZINC000656626799 677791866 /nfs/dbraw/zinc/79/18/66/677791866.db2.gz VJHJZVOCIXRBIM-UHFFFAOYSA-N -2 3 370.427 2.298 20 0 FEADHL CO[C@H](CS(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1N)C1CCCC1 ZINC000656631252 677795469 /nfs/dbraw/zinc/79/54/69/677795469.db2.gz IQCYCEKEAZZTPX-CYBMUJFWSA-N -2 3 360.407 2.053 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)oc1C(=O)[O-] ZINC000663422763 678735376 /nfs/dbraw/zinc/73/53/76/678735376.db2.gz LKXSOUBJOOEZPQ-HIFRSBDPSA-N -2 3 365.407 2.485 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)(C)C)oc1C(=O)[O-] ZINC000663422891 678735384 /nfs/dbraw/zinc/73/53/84/678735384.db2.gz IIZOSXUTERYLPP-BXUZGUMPSA-N -2 3 359.444 2.406 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2C)oc1C(=O)[O-] ZINC000663424657 678735751 /nfs/dbraw/zinc/73/57/51/678735751.db2.gz QHZQATWLMUERHG-LBPRGKRZSA-N -2 3 353.396 2.340 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1O ZINC000674755054 679503950 /nfs/dbraw/zinc/50/39/50/679503950.db2.gz QDROSKCWMLGOSM-UHFFFAOYSA-N -2 3 374.415 2.012 20 0 FEADHL O=C(CC1(CC(=O)[N-]OCC(F)F)CCCCC1)[N-]OCC(F)F ZINC000760148737 680678085 /nfs/dbraw/zinc/67/80/85/680678085.db2.gz RZRUEEMKGAISED-UHFFFAOYSA-N -2 3 358.332 2.343 20 0 FEADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844790823 681082736 /nfs/dbraw/zinc/08/27/36/681082736.db2.gz WOTYPPXBBQPRJK-DTWKUNHWSA-N -2 3 352.815 2.432 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c1 ZINC000775675314 681322905 /nfs/dbraw/zinc/32/29/05/681322905.db2.gz ARQVPJGFDKTXIS-UHFFFAOYSA-N -3 3 359.306 2.178 20 0 FEADHL Cn1c(Cl)ncc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000776537581 681401480 /nfs/dbraw/zinc/40/14/80/681401480.db2.gz PAUWANAOYGHTPE-UHFFFAOYSA-N -2 3 350.183 2.226 20 0 FEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)c1ccccc1 ZINC000776571646 681408860 /nfs/dbraw/zinc/40/88/60/681408860.db2.gz SXZPXMOJCBKAPP-LBPRGKRZSA-N -2 3 354.815 2.272 20 0 FEADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776632653 681420449 /nfs/dbraw/zinc/42/04/49/681420449.db2.gz ANJLUFIHCKLYMZ-CABZTGNLSA-N -2 3 353.227 2.310 20 0 FEADHL Cc1nc(C=Cc2cccc(Br)n2)[n-]c(=O)c1CC(=O)[O-] ZINC000794712722 682992107 /nfs/dbraw/zinc/99/21/07/682992107.db2.gz KKYDLEVGZXUNMP-AATRIKPKSA-N -2 3 350.172 2.446 20 0 FEADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)[C@H]2C[C@H]21 ZINC000926599941 683152587 /nfs/dbraw/zinc/15/25/87/683152587.db2.gz IOZVQKILWSGMHP-UVMAFCGOSA-N -2 3 350.223 2.381 20 0 FEADHL C[C@@H]1CC[C@@H](C(=O)[O-])C[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000871768875 684853282 /nfs/dbraw/zinc/85/32/82/684853282.db2.gz BSGXRHQBZKRXPB-OPRDCNLKSA-N -2 3 366.361 2.268 20 0 FEADHL O=C([O-])Cc1csc(C[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)n1 ZINC000871772718 684854491 /nfs/dbraw/zinc/85/44/91/684854491.db2.gz YNANRVIUKPFDGO-SECBINFHSA-N -2 3 368.427 2.015 20 0 FEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CCOC2)c1 ZINC000871940862 684887926 /nfs/dbraw/zinc/88/79/26/684887926.db2.gz YWQHETCIKSYCFV-MRVPVSSYSA-N -2 3 368.238 2.397 20 0 FEADHL O=C([O-])[C@]12C[C@H]1C[C@H]([N-]S(=O)(=O)c1csc(-c3ccccc3)n1)C2 ZINC000871997778 684908225 /nfs/dbraw/zinc/90/82/25/684908225.db2.gz DJAVMVVYSRGOJQ-WQGACYEGSA-N -2 3 364.448 2.342 20 0 FEADHL O=C([O-])[C@H]1CCc2sc(NC(=O)Cc3ccc([O-])c(F)c3)nc2C1 ZINC000910678128 685097107 /nfs/dbraw/zinc/09/71/07/685097107.db2.gz VPASCSWEASDHAU-VIFPVBQESA-N -2 3 350.371 2.359 20 0 FEADHL O=C([O-])CC1CC([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000899933203 690443505 /nfs/dbraw/zinc/44/35/05/690443505.db2.gz JTCODZDRFUCWLW-UHFFFAOYSA-N -2 3 366.208 2.120 20 0 FEADHL O=C([O-])C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000899944894 690446078 /nfs/dbraw/zinc/44/60/78/690446078.db2.gz DBEXAUOQSDDDCF-LDYMZIIASA-N -2 3 368.238 2.152 20 0 FEADHL O=C([O-])C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000899946033 690446603 /nfs/dbraw/zinc/44/66/03/690446603.db2.gz ZPLZLAVOKWTCGG-PSASIEDQSA-N -2 3 368.238 2.152 20 0 FEADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-][C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000903519875 690908946 /nfs/dbraw/zinc/90/89/46/690908946.db2.gz PJSPKTXBBLWUNS-XVKPBYJWSA-N -2 3 373.374 2.000 20 0 FEADHL O=S(=O)(N=S1(=O)CCCC1)[N-]c1cc([O-])cc(Br)c1 ZINC000905102952 691068709 /nfs/dbraw/zinc/06/87/09/691068709.db2.gz QZIFXOPYCMVCNX-UHFFFAOYSA-N -2 3 369.262 2.073 20 0 FEADHL C[C@]1(C(=O)[O-])C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000906011306 691212951 /nfs/dbraw/zinc/21/29/51/691212951.db2.gz RVAWSKYRIRQTGT-ISVAXAHUSA-N -2 3 368.238 2.294 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)c1 ZINC000906820171 691321915 /nfs/dbraw/zinc/32/19/15/691321915.db2.gz WGSWWFJVOSSSIB-ZETCQYMHSA-N -2 3 356.202 2.304 20 0 FEADHL COC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000909710439 691847588 /nfs/dbraw/zinc/84/75/88/691847588.db2.gz HTSXAPSYDFYJMS-OAHLLOKOSA-N -2 3 372.215 2.108 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1F ZINC000032595862 539944553 /nfs/dbraw/zinc/94/45/53/539944553.db2.gz HHXIIPOAMQQCSO-UHFFFAOYSA-N -2 3 374.415 2.007 20 0 FEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)cc1C(=O)[O-] ZINC000042795100 540078825 /nfs/dbraw/zinc/07/88/25/540078825.db2.gz OFGAGMQYVCQSJC-UHFFFAOYSA-N -2 3 363.395 2.293 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)ccc1[O-] ZINC000055587993 540661578 /nfs/dbraw/zinc/66/15/78/540661578.db2.gz OPJGXLXEWOJSOC-UHFFFAOYSA-N -2 3 373.390 2.165 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1c(F)cccc1Cl ZINC000126280797 543927921 /nfs/dbraw/zinc/92/79/21/543927921.db2.gz LAIHVJRPIPNLBB-UHFFFAOYSA-N -2 3 367.793 2.384 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1c(F)cccc1Cl ZINC000126280797 543927924 /nfs/dbraw/zinc/92/79/24/543927924.db2.gz LAIHVJRPIPNLBB-UHFFFAOYSA-N -2 3 367.793 2.384 20 0 FEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000136442068 544373137 /nfs/dbraw/zinc/37/31/37/544373137.db2.gz YQKMVMLJVALVCE-GFCCVEGCSA-N -2 3 356.400 2.297 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Br)s2)CCC1 ZINC000138539233 544396939 /nfs/dbraw/zinc/39/69/39/544396939.db2.gz OBUNWFJPBYRORV-UHFFFAOYSA-N -2 3 354.247 2.044 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129603523 326543416 /nfs/dbraw/zinc/54/34/16/326543416.db2.gz JEVWQDMNXQCCNV-QMMMGPOBSA-N -2 3 360.844 2.413 20 0 FEADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161798077 327009377 /nfs/dbraw/zinc/00/93/77/327009377.db2.gz AMZTVXVUFRXQNN-SECBINFHSA-N -2 3 354.197 2.120 20 0 FEADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000274999377 330000826 /nfs/dbraw/zinc/00/08/26/330000826.db2.gz NWCGJZYWBFTISN-VIFPVBQESA-N -2 3 363.819 2.048 20 0 FEADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000275006773 330001449 /nfs/dbraw/zinc/00/14/49/330001449.db2.gz PEVGOHMZKAVVBT-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cccc(C)c2F)(C(=O)[O-])C1(C)C ZINC000275583851 330066718 /nfs/dbraw/zinc/06/67/18/330066718.db2.gz HSLCVYHRYDTBOF-LRDDRELGSA-N -2 3 359.419 2.071 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@H](Cc2cccnc2)C(=O)[O-])sc1Cl ZINC000276398432 330148622 /nfs/dbraw/zinc/14/86/22/330148622.db2.gz GXJLBFFUMVMTAH-NSHDSACASA-N -2 3 374.871 2.327 20 0 FEADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000554531008 674321988 /nfs/dbraw/zinc/32/19/88/674321988.db2.gz DDEGJDYPQMOAOI-MFKMUULPSA-N -2 3 366.361 2.412 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Br)cc2F)CCCC1 ZINC000161795650 546134357 /nfs/dbraw/zinc/13/43/57/546134357.db2.gz ZSJXOURIIDZTRJ-UHFFFAOYSA-N -2 3 366.208 2.264 20 0 FEADHL COc1ccc(-n2cc([O-])c(C(=O)NCc3ccc([O-])c(F)c3)n2)cc1 ZINC000177170027 546561228 /nfs/dbraw/zinc/56/12/28/546561228.db2.gz ALLQEPSPFLBKEJ-UHFFFAOYSA-N -2 3 357.341 2.361 20 0 FEADHL CC(C)N(CC(=O)[O-])C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000178071425 546735104 /nfs/dbraw/zinc/73/51/04/546735104.db2.gz XATQVGSKEXATMD-UHFFFAOYSA-N -2 3 367.199 2.226 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c(C)c1 ZINC000481604878 561237196 /nfs/dbraw/zinc/23/71/96/561237196.db2.gz GNZHFJDEDUAPSK-UHFFFAOYSA-N -2 3 350.396 2.468 20 0 FEADHL COc1nc([N-]C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)n[n-]1 ZINC000179377016 546942397 /nfs/dbraw/zinc/94/23/97/546942397.db2.gz HKWPEQKRUYSCFX-UHFFFAOYSA-N -2 3 367.394 2.375 20 0 FEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000485039069 561311097 /nfs/dbraw/zinc/31/10/97/561311097.db2.gz GMFPHOVWIDUULO-SNVBAGLBSA-N -2 3 363.457 2.093 20 0 FEADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)C2CC2)n1 ZINC000185065383 547926436 /nfs/dbraw/zinc/92/64/36/547926436.db2.gz UWVXYDQRXAXLJD-LBPRGKRZSA-N -2 3 356.425 2.481 20 0 FEADHL C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000185077927 547928359 /nfs/dbraw/zinc/92/83/59/547928359.db2.gz CJAQZBSUOADIGI-LLVKDONJSA-N -2 3 354.403 2.162 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000485275567 561316149 /nfs/dbraw/zinc/31/61/49/561316149.db2.gz NNNMQFGFNCLDAR-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000486556917 561350654 /nfs/dbraw/zinc/35/06/54/561350654.db2.gz HMRNAANBTOQNDH-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000486556917 561350655 /nfs/dbraw/zinc/35/06/55/561350655.db2.gz HMRNAANBTOQNDH-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c(F)cc1F ZINC000486840273 561357895 /nfs/dbraw/zinc/35/78/95/561357895.db2.gz BWVFKUBESCNMQU-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c(F)cc1F ZINC000486840273 561357896 /nfs/dbraw/zinc/35/78/96/561357896.db2.gz BWVFKUBESCNMQU-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cn1 ZINC000488375070 561388834 /nfs/dbraw/zinc/38/88/34/561388834.db2.gz ZUGBASAIWHLMEZ-SECBINFHSA-N -3 3 351.384 2.059 20 0 FEADHL O=C([N-]c1n[n-]c(SCCO)n1)c1cc(-c2ccccc2Cl)on1 ZINC000490543615 561435022 /nfs/dbraw/zinc/43/50/22/561435022.db2.gz KHWZCODDRQTAGO-UHFFFAOYSA-N -2 3 365.802 2.450 20 0 FEADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000281766668 551141319 /nfs/dbraw/zinc/14/13/19/551141319.db2.gz LVIFIILWOQYWMF-LLVKDONJSA-N -2 3 365.883 2.331 20 0 FEADHL Cc1cc(F)cc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000285178176 551716203 /nfs/dbraw/zinc/71/62/03/551716203.db2.gz QEBSZYPTTXLUIO-SECBINFHSA-N -2 3 357.325 2.456 20 0 FEADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2[nH]ncc2c(C)c1 ZINC000499266081 561547181 /nfs/dbraw/zinc/54/71/81/561547181.db2.gz MEWCVMKIMOKLRP-UHFFFAOYSA-N -2 3 361.379 2.379 20 0 FEADHL CCOC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000290923069 552562773 /nfs/dbraw/zinc/56/27/73/552562773.db2.gz HXBQDYLLHKOUKK-SECBINFHSA-N -2 3 356.227 2.070 20 0 FEADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)o1 ZINC000291821738 552665268 /nfs/dbraw/zinc/66/52/68/552665268.db2.gz CLGSEPVYHPFBIJ-UHFFFAOYSA-N -2 3 364.423 2.211 20 0 FEADHL COC(=O)[C@H](C)Oc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1 ZINC000504728611 561661813 /nfs/dbraw/zinc/66/18/13/561661813.db2.gz FJYWZGXXVLVMSF-LZGFCCKTSA-N -2 3 372.377 2.228 20 0 FEADHL CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000506647049 561704819 /nfs/dbraw/zinc/70/48/19/561704819.db2.gz SULZIDSNESRTID-UHFFFAOYSA-N -2 3 362.407 2.130 20 0 FEADHL COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccccc1C(=O)[O-])c1ccccc1 ZINC000507879686 561744457 /nfs/dbraw/zinc/74/44/57/561744457.db2.gz SOQMJVMFYYTCGN-AWEZNQCLSA-N -2 3 363.391 2.083 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)cc2)n1 ZINC000509353882 561796097 /nfs/dbraw/zinc/79/60/97/561796097.db2.gz NSPMSHKZUBPIMO-UHFFFAOYSA-N -2 3 365.393 2.039 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)c(C)c1C(=O)[O-] ZINC000512763132 561914531 /nfs/dbraw/zinc/91/45/31/561914531.db2.gz YUSIQGVUAQHVRX-UHFFFAOYSA-N -2 3 365.407 2.174 20 0 FEADHL Cc1noc(=NC([O-])=CSc2nnc(-c3ccc(Cl)cc3)o2)[n-]1 ZINC000515584056 562015839 /nfs/dbraw/zinc/01/58/39/562015839.db2.gz JPPHXOQGWASLHV-UHFFFAOYSA-N -2 3 351.775 2.234 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2COc3ccccc32)cc(F)c1F ZINC000371853195 557311884 /nfs/dbraw/zinc/31/18/84/557311884.db2.gz PNLDNXIKXNAKFX-GFCCVEGCSA-N -2 3 355.318 2.075 20 0 FEADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000520775842 562163473 /nfs/dbraw/zinc/16/34/73/562163473.db2.gz PBESNAJKPOYULP-CQSZACIVSA-N -2 3 351.428 2.033 20 0 FEADHL Cc1csc(S(=O)(=O)[N-]C[C@@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000520806123 562164143 /nfs/dbraw/zinc/16/41/43/562164143.db2.gz BZFIUXANERBMAM-GFCCVEGCSA-N -2 3 357.428 2.417 20 0 FEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCS1 ZINC000387923041 558608293 /nfs/dbraw/zinc/60/82/93/558608293.db2.gz PQSDMOVLLYGGMF-SECBINFHSA-N -2 3 365.860 2.221 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)ccc1C(=O)[O-] ZINC000392137114 558615928 /nfs/dbraw/zinc/61/59/28/558615928.db2.gz BIPURZLZPYROBP-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)sc1Br ZINC000399203803 558627896 /nfs/dbraw/zinc/62/78/96/558627896.db2.gz MKRPVGSCTZYBBC-SECBINFHSA-N -2 3 368.274 2.351 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1C(=O)[O-] ZINC000523979685 562222472 /nfs/dbraw/zinc/22/24/72/562222472.db2.gz RFWICEBJCYFGJQ-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1C ZINC000525531568 562250067 /nfs/dbraw/zinc/25/00/67/562250067.db2.gz CIAHWFMSTIYARW-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL CCCc1ncc(C[N-]S(=O)(=O)c2ccc(OCC)c(C(=O)[O-])c2)o1 ZINC000414342082 559157364 /nfs/dbraw/zinc/15/73/64/559157364.db2.gz PIYUYEAAAVMKOZ-UHFFFAOYSA-N -2 3 368.411 2.203 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2ccc(C)c(C)n2)c1 ZINC000414353445 559158194 /nfs/dbraw/zinc/15/81/94/559158194.db2.gz SBIFHHRNGBVGEK-UHFFFAOYSA-N -2 3 352.387 2.323 20 0 FEADHL O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000420138447 559474447 /nfs/dbraw/zinc/47/44/47/559474447.db2.gz WQUWLOWGCXNEIW-GFCCVEGCSA-N -2 3 373.800 2.373 20 0 FEADHL Cn1[n-]c(=NC(=O)c2ccc(Br)c([O-])c2)cc1OC(F)F ZINC000428117995 559769927 /nfs/dbraw/zinc/76/99/27/559769927.db2.gz BKBPPYAVSPHESR-UHFFFAOYSA-N -2 3 362.130 2.742 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)cs1 ZINC000436473472 559942292 /nfs/dbraw/zinc/94/22/92/559942292.db2.gz AYJIFLAWZQWGQC-UHFFFAOYSA-N -2 3 368.371 2.171 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000436473822 559942303 /nfs/dbraw/zinc/94/23/03/559942303.db2.gz CIFMCGYJUFFSKH-UHFFFAOYSA-N -2 3 368.411 2.406 20 0 FEADHL O=C([O-])c1cc([N-]S(=O)(=O)c2c[nH]c(=O)s2)cc(C(F)(F)F)c1 ZINC000436480037 559942701 /nfs/dbraw/zinc/94/27/01/559942701.db2.gz YOZGEZRGHIUQNI-UHFFFAOYSA-N -2 3 368.314 2.367 20 0 FEADHL CO[C@@H](C)c1nc(=NC2CCN(C(=O)c3ccccc3[O-])CC2)s[n-]1 ZINC000436535607 559944592 /nfs/dbraw/zinc/94/45/92/559944592.db2.gz AVVACKQVYGHQGC-NSHDSACASA-N -2 3 362.455 2.090 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC)ccc1[O-] ZINC000436654590 559948052 /nfs/dbraw/zinc/94/80/52/559948052.db2.gz GLCOKWUNHMCCNR-UHFFFAOYSA-N -2 3 355.343 2.127 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000436664889 559948194 /nfs/dbraw/zinc/94/81/94/559948194.db2.gz MKPMRJHIICYBRY-UHFFFAOYSA-N -2 3 373.390 2.165 20 0 FEADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C(C)=O)c([O-])c2)c1 ZINC000436853434 559954241 /nfs/dbraw/zinc/95/42/41/559954241.db2.gz CRJCCRBIBSTHDJ-UHFFFAOYSA-N -2 3 363.391 2.346 20 0 FEADHL COc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc(Cl)c1[O-] ZINC000442964508 560064096 /nfs/dbraw/zinc/06/40/96/560064096.db2.gz ILXPACXZTDFBON-UHFFFAOYSA-N -2 3 359.773 2.164 20 0 FEADHL COc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc(Cl)c1[O-] ZINC000442964508 560064097 /nfs/dbraw/zinc/06/40/97/560064097.db2.gz ILXPACXZTDFBON-UHFFFAOYSA-N -2 3 359.773 2.164 20 0 FEADHL Cc1nn(C)c2ncc(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)cc12 ZINC000443439849 560084064 /nfs/dbraw/zinc/08/40/64/560084064.db2.gz HVQGIJQHAHQKJV-XQRVVYSFSA-N -2 3 353.382 2.268 20 0 FEADHL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1 ZINC000446958615 560154217 /nfs/dbraw/zinc/15/42/17/560154217.db2.gz QYBSQYRYIUOPBV-UHFFFAOYSA-N -2 3 373.431 2.010 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000460842931 560753300 /nfs/dbraw/zinc/75/33/00/560753300.db2.gz ORLODKDYRVFYAE-UHFFFAOYSA-N -2 3 370.452 2.176 20 0 FEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1C(=O)[O-] ZINC000462102319 560797219 /nfs/dbraw/zinc/79/72/19/560797219.db2.gz MKPUKGCFJJVLCC-UHFFFAOYSA-N -3 3 363.391 2.430 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C[S@](C)=O)c1 ZINC000466284288 560883567 /nfs/dbraw/zinc/88/35/67/560883567.db2.gz ZYHXRMBHZMVGBD-QHCPKHFHSA-N -2 3 367.448 2.373 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)cc(C(=O)[O-])c1C ZINC000471109685 560998448 /nfs/dbraw/zinc/99/84/48/560998448.db2.gz ZMITULLAACMQSD-UHFFFAOYSA-N -2 3 366.370 2.040 20 0 FEADHL CC[C@H](CS(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-])OC ZINC000530148592 562399983 /nfs/dbraw/zinc/39/99/83/562399983.db2.gz HZKMEJDJNOXYQR-MRVPVSSYSA-N -2 3 366.233 2.314 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000530151523 562400176 /nfs/dbraw/zinc/40/01/76/562400176.db2.gz DFCVBCGGKVTZQU-XXILOJSOSA-N -2 3 370.839 2.111 20 0 FEADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(=O)[O-] ZINC000534798511 562542580 /nfs/dbraw/zinc/54/25/80/562542580.db2.gz PYHQKAYYPFBSFN-RTHLEPHNSA-N -2 3 374.846 2.002 20 0 FEADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000535399503 562557806 /nfs/dbraw/zinc/55/78/06/562557806.db2.gz RWCCEDYJYTUJCU-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1Cl ZINC000537196822 562587611 /nfs/dbraw/zinc/58/76/11/562587611.db2.gz RWRMUFXISBGFLN-UHFFFAOYSA-N -2 3 370.814 2.215 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2O[C@H]2CCOC2)c1 ZINC000537197368 562587643 /nfs/dbraw/zinc/58/76/43/562587643.db2.gz AAZWXUITSCCBQZ-ZDUSSCGKSA-N -2 3 365.407 2.369 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H]2COc3ccccc3C2)c1 ZINC000545544945 562628724 /nfs/dbraw/zinc/62/87/24/562628724.db2.gz SXBACHMLWRQCCI-LBPRGKRZSA-N -2 3 365.382 2.114 20 0 FEADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000806640582 674384820 /nfs/dbraw/zinc/38/48/20/674384820.db2.gz OOAQMSHOXRCFLN-SNVBAGLBSA-N -2 3 355.309 2.376 20 0 FEADHL CC(C)n1nccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000735964366 598890199 /nfs/dbraw/zinc/89/01/99/598890199.db2.gz ZAEXEEWVJIRPES-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)o1 ZINC000570043502 599773316 /nfs/dbraw/zinc/77/33/16/599773316.db2.gz YWKNGMKFVSIBEI-WFASDCNBSA-N -2 3 369.370 2.316 20 0 FEADHL COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000645959346 599775531 /nfs/dbraw/zinc/77/55/31/599775531.db2.gz QSNGYWZCHGRULX-UHFFFAOYSA-N -2 3 353.396 2.243 20 0 FEADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000393095553 599905725 /nfs/dbraw/zinc/90/57/25/599905725.db2.gz YVYZAKIHEHEJKB-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000581975202 600763049 /nfs/dbraw/zinc/76/30/49/600763049.db2.gz TZQIRLNIKUVLQN-AWEZNQCLSA-N -2 3 353.396 2.206 20 0 FEADHL CCn1nc(C)c(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c1Cl ZINC000737309136 601024632 /nfs/dbraw/zinc/02/46/32/601024632.db2.gz GBAWIEYCQZXPCS-UHFFFAOYSA-N -2 3 357.823 2.376 20 0 FEADHL Cc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)no1 ZINC000314865854 601226593 /nfs/dbraw/zinc/22/65/93/601226593.db2.gz WRWCBOAYINBPKU-UHFFFAOYSA-N -2 3 365.194 2.467 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000827760166 601256291 /nfs/dbraw/zinc/25/62/91/601256291.db2.gz FKBHDCQJSCSXPO-MRVPVSSYSA-N -2 3 371.390 2.244 20 0 FEADHL COC1CCC(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000831532108 601441109 /nfs/dbraw/zinc/44/11/09/601441109.db2.gz IEOYUDHXTFXAQF-UHFFFAOYSA-N -2 3 363.382 2.147 20 0 FEADHL O=C([O-])CCCc1csc(NC(=O)c2cc3c(cc2[O-])OCO3)n1 ZINC000833229440 601802207 /nfs/dbraw/zinc/80/22/07/601802207.db2.gz ILRYIRXDEZYRLB-UHFFFAOYSA-N -2 3 350.352 2.237 20 0 FEADHL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826265783 607539445 /nfs/dbraw/zinc/53/94/45/607539445.db2.gz MZYOOJKZUUKXBR-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826265783 607539447 /nfs/dbraw/zinc/53/94/47/607539447.db2.gz MZYOOJKZUUKXBR-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL COC[C@@](C)(CC(=O)[O-])NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000831559778 602133128 /nfs/dbraw/zinc/13/31/28/602133128.db2.gz ZBTZZLLEMFACAL-GOSISDBHSA-N -2 3 374.397 2.159 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)Nc2cccc(CC(=O)[O-])c2)c([O-])c1 ZINC000738260233 602143547 /nfs/dbraw/zinc/14/35/47/602143547.db2.gz KIGXQGOKTBHUOV-UHFFFAOYSA-N -2 3 356.378 2.086 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2CCC2)c(Br)o1 ZINC000133860750 602164385 /nfs/dbraw/zinc/16/43/85/602164385.db2.gz GSGWLTAXHIEFFB-UHFFFAOYSA-N -2 3 352.206 2.209 20 0 FEADHL COCCC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCC1 ZINC000831684941 602166387 /nfs/dbraw/zinc/16/63/87/602166387.db2.gz WWVGUYZKHCYCJI-UHFFFAOYSA-N -2 3 363.382 2.148 20 0 FEADHL CSCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(Br)cc1[O-] ZINC000740010603 602393138 /nfs/dbraw/zinc/39/31/38/602393138.db2.gz HVPPWFRZLHRLHJ-VIFPVBQESA-N -2 3 363.233 2.483 20 0 FEADHL CC(C)C[C@@H](CNC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000738811890 602566906 /nfs/dbraw/zinc/56/69/06/602566906.db2.gz PDQLMSRRGLDSKK-QMMMGPOBSA-N -2 3 370.258 2.349 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N(C)[C@H](C)CNC(=O)[O-])cc2)cc(=O)[n-]1 ZINC000740206780 602572486 /nfs/dbraw/zinc/57/24/86/602572486.db2.gz DRJVAYNLHHQUKH-SNVBAGLBSA-N -2 3 359.386 2.277 20 0 FEADHL O=C([O-])N1CCC[C@@H]1C1CCN(C(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000740729507 602589583 /nfs/dbraw/zinc/58/95/83/602589583.db2.gz QDBNKUVHTZZUEJ-OAHLLOKOSA-N -2 3 370.409 2.330 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCC[C@@H]3NC(=O)[O-])cc2)n1 ZINC000740055518 602970693 /nfs/dbraw/zinc/97/06/93/602970693.db2.gz SUTNYPLCJPEEFQ-KGLIPLIRSA-N -2 3 356.382 2.120 20 0 FEADHL O=C([O-])NC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1CC1 ZINC000740613741 603069382 /nfs/dbraw/zinc/06/93/82/603069382.db2.gz PBHOKJXPAXUNCC-SNVBAGLBSA-N -2 3 370.324 2.169 20 0 FEADHL O=C([O-])NC1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000740560140 603087650 /nfs/dbraw/zinc/08/76/50/603087650.db2.gz WGDHWHHVJGUMSF-UHFFFAOYSA-N -2 3 350.799 2.336 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C(C)(C)CNC(=O)[O-])s1 ZINC000829901172 603113798 /nfs/dbraw/zinc/11/37/98/603113798.db2.gz YKPBNFGTZPUSRN-UHFFFAOYSA-N -2 3 371.278 2.144 20 0 FEADHL O=C([O-])Nc1ccc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)c(Cl)c1 ZINC000740699245 603201034 /nfs/dbraw/zinc/20/10/34/603201034.db2.gz WCMQJFLPZFNINE-UHFFFAOYSA-N -2 3 359.725 2.371 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CC3(NC(=O)[O-])CCC3)cc2)n1 ZINC000829894607 604122395 /nfs/dbraw/zinc/12/23/95/604122395.db2.gz UYRPNWPAYBQAGW-UHFFFAOYSA-N -2 3 356.382 2.264 20 0 FEADHL O=C([O-])N1CCC[C@@H]1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000831714906 604272217 /nfs/dbraw/zinc/27/22/17/604272217.db2.gz HWQJIIFKNUEHKF-SNVBAGLBSA-N -2 3 372.219 2.096 20 0 FEADHL CCN(CCCNC(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-] ZINC000827125126 604281633 /nfs/dbraw/zinc/28/16/33/604281633.db2.gz VUFJENNWOHHHOM-UHFFFAOYSA-N -2 3 374.235 2.344 20 0 FEADHL C[C@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824711460 604315809 /nfs/dbraw/zinc/31/58/09/604315809.db2.gz WZEHBJILKHEXSF-VXGBXAGGSA-N -2 3 358.402 2.221 20 0 FEADHL O=C([O-])c1ccc(C(=O)NCc2ccc([O-])c(Br)c2)nc1 ZINC000833311498 604372300 /nfs/dbraw/zinc/37/23/00/604372300.db2.gz VRXMUHOXAMUYGV-UHFFFAOYSA-N -2 3 351.156 2.178 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])c2)cc1F ZINC000547909054 604552376 /nfs/dbraw/zinc/55/23/76/604552376.db2.gz CPMXFFKMKUVMJX-UHFFFAOYSA-N -2 3 355.362 2.492 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)c(C)o1 ZINC000831033905 604597291 /nfs/dbraw/zinc/59/72/91/604597291.db2.gz GMOMQWHBLXORHE-SECBINFHSA-N -2 3 371.367 2.014 20 0 FEADHL O=C([O-])C[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000833209471 604690443 /nfs/dbraw/zinc/69/04/43/604690443.db2.gz HAOYDBPCTQECKV-JTQLQIEISA-N -2 3 357.204 2.303 20 0 FEADHL CCOc1ccc(C[C@@H](CNC(=O)c2c([O-])cccc2O)C(=O)[O-])cc1 ZINC000833664122 604775439 /nfs/dbraw/zinc/77/54/39/604775439.db2.gz LCQQDCNTVOCLGY-ZDUSSCGKSA-N -2 3 359.378 2.170 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])c(F)c2)c1 ZINC000833733694 605265325 /nfs/dbraw/zinc/26/53/25/605265325.db2.gz MOKZPZKBPUVCLZ-UHFFFAOYSA-N -3 3 356.331 2.431 20 0 FEADHL O=C([O-])NC1(CC(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000832206131 605415678 /nfs/dbraw/zinc/41/56/78/605415678.db2.gz CSNUZTMTWCSGOV-UHFFFAOYSA-N -2 3 357.204 2.351 20 0 FEADHL O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000832356361 605539867 /nfs/dbraw/zinc/53/98/67/605539867.db2.gz CCWRZUCRMZNLRV-NEPJUHHUSA-N -2 3 358.402 2.412 20 0 FEADHL O=C(CN1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1)[N-]OCc1ccccc1 ZINC000834008227 605807338 /nfs/dbraw/zinc/80/73/38/605807338.db2.gz TVFSFKODMZEOTF-IRXDYDNUSA-N -2 3 361.442 2.089 20 0 FEADHL O=C([O-])N[C@H](CC(F)F)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000834127302 606076289 /nfs/dbraw/zinc/07/62/89/606076289.db2.gz AUUIEFUXNSLFNM-MRVPVSSYSA-N -2 3 367.146 2.062 20 0 FEADHL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821486246 606210209 /nfs/dbraw/zinc/21/02/09/606210209.db2.gz ANBDLOKTQXLGHI-UHFFFAOYSA-N -2 3 363.374 2.075 20 0 FEADHL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821486246 606210210 /nfs/dbraw/zinc/21/02/10/606210210.db2.gz ANBDLOKTQXLGHI-UHFFFAOYSA-N -2 3 363.374 2.075 20 0 FEADHL O=S(=O)([N-]c1cccc2ccncc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823588803 606713237 /nfs/dbraw/zinc/71/32/37/606713237.db2.gz BTBMTYUPECIYEB-UHFFFAOYSA-N -2 3 370.369 2.355 20 0 FEADHL O=S(=O)([N-]c1cccc2ccncc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823588803 606713238 /nfs/dbraw/zinc/71/32/38/606713238.db2.gz BTBMTYUPECIYEB-UHFFFAOYSA-N -2 3 370.369 2.355 20 0 FEADHL C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820704234 606882864 /nfs/dbraw/zinc/88/28/64/606882864.db2.gz MWSFBMSXHFIBIO-UFBFGSQYSA-N -2 3 357.386 2.002 20 0 FEADHL Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822229683 606884560 /nfs/dbraw/zinc/88/45/60/606884560.db2.gz ZHVKKRAELCNAFJ-MRVPVSSYSA-N -2 3 369.353 2.086 20 0 FEADHL CCCc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821143691 607025864 /nfs/dbraw/zinc/02/58/64/607025864.db2.gz WGJWSYLFJHYDIP-UHFFFAOYSA-N -2 3 350.429 2.077 20 0 FEADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cccc2c1CCCC2 ZINC000823589072 607027031 /nfs/dbraw/zinc/02/70/31/607027031.db2.gz LGZLKPNFHDZUJU-UHFFFAOYSA-N -2 3 362.440 2.003 20 0 FEADHL Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cc1C(=O)[O-] ZINC000822242286 607111027 /nfs/dbraw/zinc/11/10/27/607111027.db2.gz HAFNECHYKWAOBH-LLVKDONJSA-N -2 3 367.365 2.279 20 0 FEADHL Cc1ccc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cc1C(=O)[O-] ZINC000822242286 607111028 /nfs/dbraw/zinc/11/10/28/607111028.db2.gz HAFNECHYKWAOBH-LLVKDONJSA-N -2 3 367.365 2.279 20 0 FEADHL O=S(=O)([N-]c1cccc(OCCF)c1)c1ccccc1-c1nnn[n-]1 ZINC000823589415 607113631 /nfs/dbraw/zinc/11/36/31/607113631.db2.gz YSFAWNSWWQKDFM-UHFFFAOYSA-N -2 3 363.374 2.016 20 0 FEADHL O=S(=O)([N-]c1cccc(OCCF)c1)c1ccccc1-c1nn[n-]n1 ZINC000823589415 607113633 /nfs/dbraw/zinc/11/36/33/607113633.db2.gz YSFAWNSWWQKDFM-UHFFFAOYSA-N -2 3 363.374 2.016 20 0 FEADHL O=S(=O)([N-]c1ccnc(Cl)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826493156 609340717 /nfs/dbraw/zinc/34/07/17/609340717.db2.gz WCTQIOQMKAIXTJ-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL COc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1[N-]S(C)(=O)=O ZINC000564295169 674991429 /nfs/dbraw/zinc/99/14/29/674991429.db2.gz WUZKDNHMGBMLIT-UHFFFAOYSA-N -2 3 372.349 2.303 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@H](C)COCc2ccccc2)cc1C(=O)[O-] ZINC000569336961 670545487 /nfs/dbraw/zinc/54/54/87/670545487.db2.gz VAHPFUDVWOFXIB-LBPRGKRZSA-N -2 3 367.423 2.417 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)[C@@H](C)C(=O)[O-] ZINC000565406529 675118458 /nfs/dbraw/zinc/11/84/58/675118458.db2.gz NLGZJZJNQZUZRE-RNFRBKRXSA-N -2 3 359.297 2.112 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000565462721 675123552 /nfs/dbraw/zinc/12/35/52/675123552.db2.gz ZUEXRVJJLNGKNR-UHFFFAOYSA-N -2 3 367.427 2.374 20 0 FEADHL Cc1[n-][nH]c(=O)c1CCN=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1 ZINC000570001963 670646583 /nfs/dbraw/zinc/64/65/83/670646583.db2.gz MECTVEMEKGHYBG-NSHDSACASA-N -2 3 354.197 2.389 20 0 FEADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000574101761 671202319 /nfs/dbraw/zinc/20/23/19/671202319.db2.gz FESJHCHNUSPRBI-JTQLQIEISA-N -2 3 354.350 2.268 20 0 FEADHL COC(=O)c1c(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1F ZINC000574247511 671218226 /nfs/dbraw/zinc/21/82/26/671218226.db2.gz ZBKBBJANXDLWNV-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000575056696 671295825 /nfs/dbraw/zinc/29/58/25/671295825.db2.gz MYUWUKJOPPFTBU-DTWKUNHWSA-N -2 3 350.487 2.184 20 0 FEADHL CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000566176312 675190211 /nfs/dbraw/zinc/19/02/11/675190211.db2.gz LDXUGXCLAVWVHH-UHFFFAOYSA-N -2 3 353.396 2.252 20 0 FEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-] ZINC000581294871 671882141 /nfs/dbraw/zinc/88/21/41/671882141.db2.gz MKPAKWBRQQHBOG-BDAKNGLRSA-N -2 3 371.436 2.075 20 0 FEADHL O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nnc2ccccc2c1[O-] ZINC000180783620 672418112 /nfs/dbraw/zinc/41/81/12/672418112.db2.gz PWEJBMGMEZJJRD-UHFFFAOYSA-N -2 3 360.713 2.443 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(Cl)cc(COC)c2)c[n-]1 ZINC000589588626 672532902 /nfs/dbraw/zinc/53/29/02/672532902.db2.gz AVQMJGCVVXDVED-UHFFFAOYSA-N -2 3 373.818 2.187 20 0 FEADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000427337257 673210901 /nfs/dbraw/zinc/21/09/01/673210901.db2.gz LMJZWULIJWTDLU-UHFFFAOYSA-N -3 3 371.317 2.470 20 0 FEADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000466337011 673309741 /nfs/dbraw/zinc/30/97/41/673309741.db2.gz JFVPWXHSVAWWMN-WBMJQRKESA-N -2 3 360.211 2.209 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1CC(=O)[O-] ZINC000539237813 673480387 /nfs/dbraw/zinc/48/03/87/673480387.db2.gz DBXLYXNOMOJOPD-UHFFFAOYSA-N -2 3 363.391 2.058 20 0 FEADHL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000539596735 673497680 /nfs/dbraw/zinc/49/76/80/673497680.db2.gz GBPLJTBLRFIOQM-UHFFFAOYSA-N -2 3 374.415 2.012 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CSCC=C(C)C)C(=O)[O-])s1 ZINC000547614177 673874459 /nfs/dbraw/zinc/87/44/59/673874459.db2.gz XRKCZNDHVWQAQF-JTQLQIEISA-N -2 3 364.514 2.136 20 0 FEADHL CN1CCc2ccc(S(=O)(=O)[N-]c3cc(F)cc(C(=O)[O-])c3F)cc21 ZINC000548260096 673943798 /nfs/dbraw/zinc/94/37/98/673943798.db2.gz NAGXVVPFICORLV-UHFFFAOYSA-N -2 3 368.361 2.456 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](Cc2ccc(F)cc2)C(=O)[O-])c(F)cc1F ZINC000548554873 673971109 /nfs/dbraw/zinc/97/11/09/673971109.db2.gz CXBGEEIUQWRQQS-CQSZACIVSA-N -2 3 373.352 2.387 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])s1 ZINC000548590863 673977219 /nfs/dbraw/zinc/97/72/19/673977219.db2.gz CDJWQMFTKVVBKB-NSHDSACASA-N -2 3 374.871 2.333 20 0 FEADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H]1COc2c1ccc(C)c2C ZINC000566676691 675234093 /nfs/dbraw/zinc/23/40/93/675234093.db2.gz UAJDHFAAYYCUOR-GFCCVEGCSA-N -2 3 351.380 2.315 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)C2(C(=O)[O-])CCCC2)cc1OC ZINC000568515373 675380210 /nfs/dbraw/zinc/38/02/10/675380210.db2.gz PCFYNFVDSSWVOI-UHFFFAOYSA-N -2 3 370.427 2.040 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)cc1C ZINC000826211885 675683931 /nfs/dbraw/zinc/68/39/31/675683931.db2.gz YLHVJRZKJKLZLC-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000826493117 675689610 /nfs/dbraw/zinc/68/96/10/675689610.db2.gz UMYCQZLEEKTHAR-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1-c1nn[n-]n1)c1cc(F)cc(F)c1 ZINC000826492989 675689682 /nfs/dbraw/zinc/68/96/82/675689682.db2.gz NXDGYOKRZUHYES-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000650426903 677373464 /nfs/dbraw/zinc/37/34/64/677373464.db2.gz XICAKHNSYCSIHN-ZETCQYMHSA-N -2 3 366.208 2.120 20 0 FEADHL COc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000761235685 680716169 /nfs/dbraw/zinc/71/61/69/680716169.db2.gz XTFVFRDKPHGNMP-UHFFFAOYSA-N -2 3 371.361 2.193 20 0 FEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1C(=O)[O-] ZINC000761279948 680717686 /nfs/dbraw/zinc/71/76/86/680717686.db2.gz DJDFSBKFNQKHTJ-UHFFFAOYSA-N -2 3 365.338 2.304 20 0 FEADHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-])C1CC1 ZINC000656167095 677717828 /nfs/dbraw/zinc/71/78/28/677717828.db2.gz JTNURICODQZZHJ-NXEZZACHSA-N -2 3 367.876 2.257 20 0 FEADHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-])C1CC1 ZINC000656167902 677718638 /nfs/dbraw/zinc/71/86/38/677718638.db2.gz NUGVNECCYZSREV-VXGBXAGGSA-N -2 3 365.810 2.026 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)oc1C(=O)[O-] ZINC000663426291 678736611 /nfs/dbraw/zinc/73/66/11/678736611.db2.gz YMWHSZBXWPPBJP-NSHDSACASA-N -2 3 355.343 2.227 20 0 FEADHL CC/C=C\C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000840891611 680849935 /nfs/dbraw/zinc/84/99/35/680849935.db2.gz YSNYJNABTGNDTM-ARJAWSKDSA-N -2 3 354.247 2.453 20 0 FEADHL Cc1nc(C)c(CCC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000832994987 680186033 /nfs/dbraw/zinc/18/60/33/680186033.db2.gz SXXJQQQKIMZAGV-OAHLLOKOSA-N -2 3 363.801 2.327 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)CC1CCCC1 ZINC000844785557 681082129 /nfs/dbraw/zinc/08/21/29/681082129.db2.gz JMZSQPDAGVAAKF-JTQLQIEISA-N -2 3 364.826 2.434 20 0 FEADHL CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCO1 ZINC000844898907 681092017 /nfs/dbraw/zinc/09/20/17/681092017.db2.gz PMKXIBDQHOVCNR-ZANVPECISA-N -2 3 363.382 2.145 20 0 FEADHL COCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CC1 ZINC000846767863 681287083 /nfs/dbraw/zinc/28/70/83/681287083.db2.gz PMNWEEPDIMBPDO-UHFFFAOYSA-N -2 3 368.238 2.397 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000776538317 681401428 /nfs/dbraw/zinc/40/14/28/681401428.db2.gz LBAYTWCLUMIVCF-ZETCQYMHSA-N -2 3 370.652 2.492 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)cnc1Cl ZINC000853070775 682371616 /nfs/dbraw/zinc/37/16/16/682371616.db2.gz ACZZPAKIKGHXSD-MRVPVSSYSA-N -2 3 374.768 2.365 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](CC2CCOCC2)C(=O)[O-])sc1Cl ZINC000788697869 682551486 /nfs/dbraw/zinc/55/14/86/682551486.db2.gz XWPVOHGLIPYTSM-SNVBAGLBSA-N -2 3 367.876 2.258 20 0 FEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c([C@@H](C)O)c1 ZINC000795379433 683046417 /nfs/dbraw/zinc/04/64/17/683046417.db2.gz IMARDCWZRCIMDO-SECBINFHSA-N -2 3 369.370 2.392 20 0 FEADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)[C@H]2C[C@H]21 ZINC000926601517 683152423 /nfs/dbraw/zinc/15/24/23/683152423.db2.gz TZEKRQUDDNYZDD-LOKLDPHHSA-N -2 3 367.320 2.232 20 0 FEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CCC2CC2)s1 ZINC000871892759 684874593 /nfs/dbraw/zinc/87/45/93/684874593.db2.gz RKQSEVANWOIIOK-UHFFFAOYSA-N -2 3 354.247 2.287 20 0 FEADHL Cc1ccc(N2CCOCC2)cc1[N-]S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000872369072 684941270 /nfs/dbraw/zinc/94/12/70/684941270.db2.gz ADYWDOPFFSSEFZ-UHFFFAOYSA-N -2 3 366.414 2.477 20 0 FEADHL Cc1sc(CC[N-]S(=O)(=O)c2ccc(Cl)s2)nc1C(=O)[O-] ZINC000899941042 690444934 /nfs/dbraw/zinc/44/49/34/690444934.db2.gz UMFGSXZANSVMGU-UHFFFAOYSA-N -2 3 366.873 2.386 20 0 FEADHL O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2cc(Br)ccc2[O-])CO1 ZINC000901983184 690725926 /nfs/dbraw/zinc/72/59/26/690725926.db2.gz BNFWERRPNKOIEA-WPRPVWTQSA-N -2 3 358.188 2.363 20 0 FEADHL Cc1cnc(Cl)c(S(=O)(=O)[N-]CCc2ccc(CC(=O)[O-])cc2)c1 ZINC000905986032 691206300 /nfs/dbraw/zinc/20/63/00/691206300.db2.gz FULMOGYPMOYFKH-UHFFFAOYSA-N -2 3 368.842 2.192 20 0 FEADHL O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cc([O-])cc(Br)c3)[C@@H]2C1 ZINC000907953789 691589234 /nfs/dbraw/zinc/58/92/34/691589234.db2.gz RVERGDFKHAZNQL-OSXSSCDZSA-N -2 3 354.200 2.384 20 0 FEADHL O=C([O-])C1CC2(C1)C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)CCS2 ZINC000908172948 691629693 /nfs/dbraw/zinc/62/96/93/691629693.db2.gz IVPCDSLIRDRZHT-JKGQDXBKSA-N -2 3 353.415 2.319 20 0 FEADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000036967120 539995703 /nfs/dbraw/zinc/99/57/03/539995703.db2.gz NFSRYQXWQCPSCW-LURJTMIESA-N -2 3 356.625 2.244 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc1 ZINC000048382554 540360390 /nfs/dbraw/zinc/36/03/90/540360390.db2.gz YGOKEIOXLYACOC-UHFFFAOYSA-N -2 3 357.391 2.430 20 0 FEADHL COc1cccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1 ZINC000057115538 540769148 /nfs/dbraw/zinc/76/91/48/540769148.db2.gz RRGVXGBBDGGJGV-UHFFFAOYSA-N -2 3 374.415 2.007 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2F)c(F)c1 ZINC000057115682 540769480 /nfs/dbraw/zinc/76/94/80/540769480.db2.gz IOHIALNVXYMVDK-UHFFFAOYSA-N -2 3 362.379 2.137 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C1CC1 ZINC000551235585 674133313 /nfs/dbraw/zinc/13/33/13/674133313.db2.gz XOECZKMPAYHQDI-SNVBAGLBSA-N -2 3 368.636 2.244 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(Br)c2Cl)CCC1 ZINC000551246014 674133942 /nfs/dbraw/zinc/13/39/42/674133942.db2.gz PEGBNCOVRFZUSV-UHFFFAOYSA-N -2 3 368.636 2.388 20 0 FEADHL O=C([N-]c1n[n-]c(-c2ccccn2)n1)c1cnc(-c2ncccn2)s1 ZINC000124848482 543846835 /nfs/dbraw/zinc/84/68/35/543846835.db2.gz SRAHVXKVKPQRJS-UHFFFAOYSA-N -2 3 350.367 2.033 20 0 FEADHL C[C@@H](CNC(=O)c1c([O-])cccc1F)N(C)C(=O)c1c([O-])cccc1F ZINC000185810203 327933869 /nfs/dbraw/zinc/93/38/69/327933869.db2.gz SHVMNLGNICAODT-JTQLQIEISA-N -2 3 364.348 2.267 20 0 FEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1 ZINC000192772794 328338785 /nfs/dbraw/zinc/33/87/85/328338785.db2.gz AGMYPWWCGPRTFK-UHFFFAOYSA-N -2 3 357.391 2.300 20 0 FEADHL O=C(Nc1nnc(-c2ccccn2)[n-]1)c1nn(-c2ccccc2F)cc1[O-] ZINC000175475578 327394912 /nfs/dbraw/zinc/39/49/12/327394912.db2.gz UJCBDGIMGIBCTA-UHFFFAOYSA-N -2 3 365.328 2.149 20 0 FEADHL O=C(Nc1nc(-c2ccccn2)n[n-]1)c1nn(-c2ccccc2F)cc1[O-] ZINC000175475578 327394913 /nfs/dbraw/zinc/39/49/13/327394913.db2.gz UJCBDGIMGIBCTA-UHFFFAOYSA-N -2 3 365.328 2.149 20 0 FEADHL O=C([O-])CCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000261827086 328822571 /nfs/dbraw/zinc/82/25/71/328822571.db2.gz IYTPEFKHZHKWNZ-UHFFFAOYSA-N -2 3 356.625 2.246 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000263169408 328921879 /nfs/dbraw/zinc/92/18/79/328921879.db2.gz RSUQGRIKXXLKKK-SNVBAGLBSA-N -2 3 357.762 2.329 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)[C@H]2CCCOC2)cc1C(F)(F)F ZINC000275182260 330019356 /nfs/dbraw/zinc/01/93/56/330019356.db2.gz DPLSPOUSBUKWLF-VIFPVBQESA-N -2 3 353.318 2.324 20 0 FEADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000275236044 330025021 /nfs/dbraw/zinc/02/50/21/330025021.db2.gz JRNLFGGUCFRDBH-SSDOTTSWSA-N -2 3 365.251 2.389 20 0 FEADHL CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000276291824 330137711 /nfs/dbraw/zinc/13/77/11/330137711.db2.gz JYPJBKNAPFGOIF-NKWVEPMBSA-N -2 3 356.227 2.393 20 0 FEADHL CC1(C)Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])cc2O1 ZINC000481437996 561232947 /nfs/dbraw/zinc/23/29/47/561232947.db2.gz QZQSUPPDJALZJR-UHFFFAOYSA-N -3 3 365.363 2.399 20 0 FEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(F)c1 ZINC000481955827 561246130 /nfs/dbraw/zinc/24/61/30/561246130.db2.gz IXGRKHHTUMFTSZ-UHFFFAOYSA-N -2 3 367.354 2.040 20 0 FEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000484556131 561299857 /nfs/dbraw/zinc/29/98/57/561299857.db2.gz JEVRTPGIXULXJK-UHFFFAOYSA-N -2 3 372.424 2.067 20 0 FEADHL Cc1nc(C=Cc2cn(C)nc2-c2ccncc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000195503458 548650881 /nfs/dbraw/zinc/65/08/81/548650881.db2.gz URCMKLVHSGJQDB-HWKANZROSA-N -2 3 365.393 2.061 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c[nH]1 ZINC000229583325 548756008 /nfs/dbraw/zinc/75/60/08/548756008.db2.gz ULCKUHDZGIAWGQ-UHFFFAOYSA-N -2 3 363.164 2.415 20 0 FEADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1F)CC(=O)[O-] ZINC000274927348 550565476 /nfs/dbraw/zinc/56/54/76/550565476.db2.gz BWXKRONRFLNVCA-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000276824276 550600233 /nfs/dbraw/zinc/60/02/33/550600233.db2.gz AEDHMAMJPHMSHN-SSDOTTSWSA-N -2 3 356.625 2.244 20 0 FEADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)C1 ZINC000277362990 550661340 /nfs/dbraw/zinc/66/13/40/550661340.db2.gz YOZRRSFEZLFGGJ-CBAPKCEASA-N -2 3 353.293 2.152 20 0 FEADHL C[C@H]1CCN(C(=O)c2ccc([O-])cc2F)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000288395813 552146193 /nfs/dbraw/zinc/14/61/93/552146193.db2.gz YMTHDXZJBXMLFR-RVBZMBCESA-N -2 3 362.323 2.449 20 0 FEADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000297278002 553272339 /nfs/dbraw/zinc/27/23/39/553272339.db2.gz TVRNGHJLPRXDNB-ZETCQYMHSA-N -2 3 356.263 2.432 20 0 FEADHL Cc1nn(-c2ccccn2)c(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504728690 561661756 /nfs/dbraw/zinc/66/17/56/561661756.db2.gz GFAYXASZXOFVPP-FPLPWBNLSA-N -2 3 365.393 2.486 20 0 FEADHL O=C([O-])[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000314122294 553758923 /nfs/dbraw/zinc/75/89/23/553758923.db2.gz PLXWXDMTUFAFFO-JTQLQIEISA-N -2 3 361.828 2.081 20 0 FEADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000316820059 553761735 /nfs/dbraw/zinc/76/17/35/553761735.db2.gz OCRYVWZUKQROFK-SECBINFHSA-N -2 3 350.780 2.026 20 0 FEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCCCSC ZINC000317502302 553762333 /nfs/dbraw/zinc/76/23/33/553762333.db2.gz GOMKFJIBIZYSKG-UHFFFAOYSA-N -2 3 367.876 2.468 20 0 FEADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1 ZINC000323992451 553770382 /nfs/dbraw/zinc/77/03/82/553770382.db2.gz CNOOWKOBYREWOS-UHFFFAOYSA-N -2 3 351.380 2.211 20 0 FEADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)o1 ZINC000324021453 553771138 /nfs/dbraw/zinc/77/11/38/553771138.db2.gz MEFNGFISRUWQBU-UHFFFAOYSA-N -2 3 358.803 2.376 20 0 FEADHL COC(=O)c1cccc(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000327047167 553785902 /nfs/dbraw/zinc/78/59/02/553785902.db2.gz WNAINNBJQJOVOQ-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1F ZINC000509562564 561805279 /nfs/dbraw/zinc/80/52/79/561805279.db2.gz YQPUPTHPGWFGNF-UHFFFAOYSA-N -2 3 361.297 2.368 20 0 FEADHL Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc(C)c1OCC(=O)[O-] ZINC000360554438 554879426 /nfs/dbraw/zinc/87/94/26/554879426.db2.gz GRAHJRCZSDCEID-UHFFFAOYSA-N -2 3 367.365 2.199 20 0 FEADHL Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc(C)c1OCC(=O)[O-] ZINC000360554438 554879429 /nfs/dbraw/zinc/87/94/29/554879429.db2.gz GRAHJRCZSDCEID-UHFFFAOYSA-N -2 3 367.365 2.199 20 0 FEADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCCCCC[C@@H]3C(=O)[O-])cn21 ZINC000515046890 561993527 /nfs/dbraw/zinc/99/35/27/561993527.db2.gz GPWPFACMJZFTGJ-HZSPNIEDSA-N -2 3 369.487 2.482 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)cs1 ZINC000391548636 558614243 /nfs/dbraw/zinc/61/42/43/558614243.db2.gz GAGYSKUEXKOWAC-UHFFFAOYSA-N -2 3 370.383 2.271 20 0 FEADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1OC ZINC000392254422 558616905 /nfs/dbraw/zinc/61/69/05/558616905.db2.gz ZCFDITFEEAIMQB-UHFFFAOYSA-N -2 3 365.407 2.440 20 0 FEADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000525312460 562246022 /nfs/dbraw/zinc/24/60/22/562246022.db2.gz HGVIMBCDVPKSTH-MRVPVSSYSA-N -2 3 374.622 2.050 20 0 FEADHL CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000414331341 559156675 /nfs/dbraw/zinc/15/66/75/559156675.db2.gz SZXLUMYBPGIGKK-MRVPVSSYSA-N -2 3 361.363 2.082 20 0 FEADHL CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CCO1 ZINC000414332814 559156931 /nfs/dbraw/zinc/15/69/31/559156931.db2.gz LXLCDFWGVSTFQP-BXUZGUMPSA-N -2 3 359.419 2.253 20 0 FEADHL CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000414345830 559157770 /nfs/dbraw/zinc/15/77/70/559157770.db2.gz PJCOYPKSQBGSBS-UHFFFAOYSA-N -2 3 356.375 2.170 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416959702 559340415 /nfs/dbraw/zinc/34/04/15/559340415.db2.gz NEWITLPQPAIDJO-SNVBAGLBSA-N -2 3 365.411 2.073 20 0 FEADHL CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000421137414 559525973 /nfs/dbraw/zinc/52/59/73/559525973.db2.gz FZNBFTNKVMNNOJ-KRWDZBQOSA-N -2 3 363.435 2.313 20 0 FEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1C(=O)[O-] ZINC000432641962 559862317 /nfs/dbraw/zinc/86/23/17/559862317.db2.gz GBQAEAKSYGESIF-UHFFFAOYSA-N -2 3 374.418 2.321 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)N=c2nc(C(C)(C)C)[n-]s2)c([O-])c1 ZINC000436677881 559948587 /nfs/dbraw/zinc/94/85/87/559948587.db2.gz YXEOQZALPFJEQP-UHFFFAOYSA-N -2 3 362.455 2.030 20 0 FEADHL COc1cc(/C=C\c2cc(=O)n3[n-]cnc3n2)cc(Br)c1[O-] ZINC000436716792 559949718 /nfs/dbraw/zinc/94/97/18/559949718.db2.gz RCZZDDIHQLXQLE-IHWYPQMZSA-N -2 3 363.171 2.065 20 0 FEADHL O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1c([O-])cccc1F ZINC000436899607 559955870 /nfs/dbraw/zinc/95/58/70/559955870.db2.gz KYNCINJQAWMMTB-UHFFFAOYSA-N -2 3 366.370 2.029 20 0 FEADHL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c(O)c1 ZINC000443529336 560086539 /nfs/dbraw/zinc/08/65/39/560086539.db2.gz LQDNOMCUKOPIAJ-UHFFFAOYSA-N -2 3 374.418 2.374 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)ccc1C ZINC000467094329 560903529 /nfs/dbraw/zinc/90/35/29/560903529.db2.gz UNARBFSLNHBIGV-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL COc1ccc(-c2n[n-]c(=NC(=O)NCc3ncccc3[O-])s2)cc1 ZINC000468007198 560920986 /nfs/dbraw/zinc/92/09/86/560920986.db2.gz WQUHDBXNNIGJIL-UHFFFAOYSA-N -2 3 357.395 2.636 20 0 FEADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000530529557 562414660 /nfs/dbraw/zinc/41/46/60/562414660.db2.gz JRDOXCXYEBLCRM-MRVPVSSYSA-N -2 3 368.274 2.432 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1 ZINC000531768532 562456054 /nfs/dbraw/zinc/45/60/54/562456054.db2.gz SZFSCZFDLTXTIF-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c(C)c1 ZINC000532207301 562470530 /nfs/dbraw/zinc/47/05/30/562470530.db2.gz OCXHSLRNCQKEIP-UHFFFAOYSA-N -2 3 373.438 2.217 20 0 FEADHL O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000535513359 562560201 /nfs/dbraw/zinc/56/02/01/562560201.db2.gz KKAABBGKMKFVDM-CQSZACIVSA-N -2 3 357.790 2.453 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C)n3)c2)c1 ZINC000537195836 562587487 /nfs/dbraw/zinc/58/74/87/562587487.db2.gz ZQGQUUHVBNHOTM-UHFFFAOYSA-N -2 3 360.395 2.295 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc(C(=O)[O-])co2)cc1OC ZINC000541835545 562621167 /nfs/dbraw/zinc/62/11/67/562621167.db2.gz ZEUWOSSVGDFCKQ-UHFFFAOYSA-N -2 3 368.367 2.000 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000737301754 598930841 /nfs/dbraw/zinc/93/08/41/598930841.db2.gz SDZJKUHFXRUGRE-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000737225255 598947417 /nfs/dbraw/zinc/94/74/17/598947417.db2.gz LTDRCHGWMHYWHL-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736439495 598977459 /nfs/dbraw/zinc/97/74/59/598977459.db2.gz QCPGGRPXWJBCDG-GFCCVEGCSA-N -2 3 365.459 2.196 20 0 FEADHL CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736439495 598977461 /nfs/dbraw/zinc/97/74/61/598977461.db2.gz QCPGGRPXWJBCDG-GFCCVEGCSA-N -2 3 365.459 2.196 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1cccc2cccnc21 ZINC000738341040 599157899 /nfs/dbraw/zinc/15/78/99/599157899.db2.gz CTTBZMHTTUVRIW-UHFFFAOYSA-N -2 3 370.369 2.355 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cccc2cccnc21 ZINC000738341040 599157902 /nfs/dbraw/zinc/15/79/02/599157902.db2.gz CTTBZMHTTUVRIW-UHFFFAOYSA-N -2 3 370.369 2.355 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cnc1Cl ZINC000737283476 599229466 /nfs/dbraw/zinc/22/94/66/599229466.db2.gz SGJBWTALDUBELO-UHFFFAOYSA-N -2 3 368.781 2.163 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cnc1Cl ZINC000737283476 599229467 /nfs/dbraw/zinc/22/94/67/599229467.db2.gz SGJBWTALDUBELO-UHFFFAOYSA-N -2 3 368.781 2.163 20 0 FEADHL O=S(=O)([N-]c1ccnn1C1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738338856 598438964 /nfs/dbraw/zinc/43/89/64/598438964.db2.gz JWUHXBLFOAZOAC-UHFFFAOYSA-N -2 3 373.442 2.369 20 0 FEADHL O=S(=O)([N-]c1ccnn1C1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738338856 598438966 /nfs/dbraw/zinc/43/89/66/598438966.db2.gz JWUHXBLFOAZOAC-UHFFFAOYSA-N -2 3 373.442 2.369 20 0 FEADHL O=C([N-]OCc1ccccc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738136582 598580352 /nfs/dbraw/zinc/58/03/52/598580352.db2.gz HAMRFZUCCNIWEC-KRWDZBQOSA-N -2 3 364.409 2.084 20 0 FEADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735844944 598637283 /nfs/dbraw/zinc/63/72/83/598637283.db2.gz RCDAMNCSPYOCCR-UHFFFAOYSA-N -2 3 374.426 2.097 20 0 FEADHL Cc1ccc(-c2cc(C(=O)OCc3noc(CCCC(=O)[O-])n3)n[n-]2)o1 ZINC000738487556 600189688 /nfs/dbraw/zinc/18/96/88/600189688.db2.gz ABVSOPOEFWWNBB-UHFFFAOYSA-N -2 3 360.326 2.125 20 0 FEADHL Cc1ccc(-c2cc(C(=O)OCc3noc(CCCC(=O)[O-])n3)[n-]n2)o1 ZINC000738487556 600189690 /nfs/dbraw/zinc/18/96/90/600189690.db2.gz ABVSOPOEFWWNBB-UHFFFAOYSA-N -2 3 360.326 2.125 20 0 FEADHL C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000809150548 674485465 /nfs/dbraw/zinc/48/54/65/674485465.db2.gz IJKKCECHRPCMDY-BJOHPYRUSA-N -2 3 351.355 2.324 20 0 FEADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000547921423 600590163 /nfs/dbraw/zinc/59/01/63/600590163.db2.gz KBKRTSMCLYJJJW-SNVBAGLBSA-N -2 3 368.224 2.366 20 0 FEADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000581975203 600762851 /nfs/dbraw/zinc/76/28/51/600762851.db2.gz TZQIRLNIKUVLQN-CQSZACIVSA-N -2 3 353.396 2.206 20 0 FEADHL COc1cc(C(=O)[O-])cc(NC(=O)c2nnc3ccccc3c2[O-])c1OC ZINC000737855217 600931276 /nfs/dbraw/zinc/93/12/76/600931276.db2.gz FGWOIGCXIUTDFN-UHFFFAOYSA-N -2 3 369.333 2.303 20 0 FEADHL COc1ccc(-c2nn[n-]n2)cc1CO[N-]C(=O)C(C)(C)c1ccccc1 ZINC000821749364 607490663 /nfs/dbraw/zinc/49/06/63/607490663.db2.gz INALEDBBJUWVFA-UHFFFAOYSA-N -2 3 367.409 2.401 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2cn3cc(Cl)ccc3n2)cc1C(=O)[O-] ZINC000833027454 601216505 /nfs/dbraw/zinc/21/65/05/601216505.db2.gz UGUXVOMULYACGE-UHFFFAOYSA-N -2 3 369.786 2.066 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000573798790 601219755 /nfs/dbraw/zinc/21/97/55/601219755.db2.gz MJZRKSKDEZHPON-HOCLYGCPSA-N -2 3 365.407 2.485 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)c1F ZINC000327372729 601232216 /nfs/dbraw/zinc/23/22/16/601232216.db2.gz ABYYPRBXICZSMY-UHFFFAOYSA-N -2 3 372.305 2.050 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Oc1cccc(C)c1 ZINC000582902893 601399811 /nfs/dbraw/zinc/39/98/11/601399811.db2.gz XWJIVLXSUINJLU-GFCCVEGCSA-N -2 3 353.396 2.422 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(NC(=O)[O-])c2)ccc1F ZINC000831029450 601623854 /nfs/dbraw/zinc/62/38/54/601623854.db2.gz RXUMBEFJEBHJKN-UHFFFAOYSA-N -2 3 367.358 2.076 20 0 FEADHL O=C([O-])C[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCO1 ZINC000833217581 601761373 /nfs/dbraw/zinc/76/13/73/601761373.db2.gz ICLRBLZTKUCNAU-QGZVFWFLSA-N -2 3 369.417 2.493 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])c1nc(-c2ccc(Cl)cc2)no1 ZINC000827550786 601797062 /nfs/dbraw/zinc/79/70/62/601797062.db2.gz CNEFTRWCTDBHJT-RKDXNWHRSA-N -2 3 373.818 2.091 20 0 FEADHL O=C([O-])CCC1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000659772399 601823498 /nfs/dbraw/zinc/82/34/98/601823498.db2.gz JIWDMNADWUBCDI-MRXNPFEDSA-N -2 3 374.437 2.100 20 0 FEADHL O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000833158294 601885906 /nfs/dbraw/zinc/88/59/06/601885906.db2.gz XUUKDCIUXVUDDM-JSGCOSHPSA-N -2 3 359.382 2.115 20 0 FEADHL CCc1cc(=O)[n-]c(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)n1 ZINC000830223977 601904431 /nfs/dbraw/zinc/90/44/31/601904431.db2.gz CLBVIJAHBPBABR-HNNXBMFYSA-N -2 3 355.316 2.420 20 0 FEADHL Cc1nc(C)c(CC(=O)N2CCCc3cc(CNC(=O)[O-])ccc32)c(=O)[n-]1 ZINC000740216426 602646224 /nfs/dbraw/zinc/64/62/24/602646224.db2.gz FVJNVODJAGEVCB-UHFFFAOYSA-N -2 3 370.409 2.089 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H](N(C)C(=O)[O-])C3)nc2)n1 ZINC000739535805 602734748 /nfs/dbraw/zinc/73/47/48/602734748.db2.gz HHKJJFKFAMMLKS-CQSZACIVSA-N -2 3 357.414 2.385 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3C[C@H](C)N(C(=O)[O-])[C@@H](C)C3)nc2)n1 ZINC000739535840 602816693 /nfs/dbraw/zinc/81/66/93/602816693.db2.gz IRUVUHFKUZPLDZ-RYUDHWBXSA-N -2 3 357.414 2.384 20 0 FEADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000739722932 602844465 /nfs/dbraw/zinc/84/44/65/602844465.db2.gz KWSQVHYRDXSXSU-UHFFFAOYSA-N -3 3 374.378 2.465 20 0 FEADHL O=C([O-])NC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000740614348 603069881 /nfs/dbraw/zinc/06/98/81/603069881.db2.gz QKITYVVKWJADMS-JTQLQIEISA-N -2 3 353.227 2.318 20 0 FEADHL C[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823724707 603389969 /nfs/dbraw/zinc/38/99/69/603389969.db2.gz SOKVSTZVBWHNJM-IONNQARKSA-N -2 3 357.292 2.407 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc(NC(=O)[O-])cc2)ccc1F ZINC000828585244 603799798 /nfs/dbraw/zinc/79/97/98/603799798.db2.gz KWYYTUUJRQKMCR-UHFFFAOYSA-N -2 3 368.342 2.043 20 0 FEADHL O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000832361983 603834802 /nfs/dbraw/zinc/83/48/02/603834802.db2.gz ZUWCBVLGLAFXOO-ZIAGYGMSSA-N -2 3 358.402 2.412 20 0 FEADHL O=C([O-])N(CC(=O)Nc1cc(Br)ccc1[O-])C[C@@H]1CCCO1 ZINC000831474292 604099418 /nfs/dbraw/zinc/09/94/18/604099418.db2.gz NUZBWLXIKLLGMU-JTQLQIEISA-N -2 3 373.203 2.252 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830914891 604335519 /nfs/dbraw/zinc/33/55/19/604335519.db2.gz YNCVDLURBYZHTO-SECBINFHSA-N -2 3 353.400 2.099 20 0 FEADHL C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000825396709 604583018 /nfs/dbraw/zinc/58/30/18/604583018.db2.gz CMOQKDSLLOEPPA-SNVBAGLBSA-N -2 3 358.350 2.380 20 0 FEADHL C[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CCN(C(=O)[O-])CC1 ZINC000824696359 604665591 /nfs/dbraw/zinc/66/55/91/604665591.db2.gz RQUZBNBYWOXUFM-NSHDSACASA-N -2 3 358.402 2.221 20 0 FEADHL C[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CCN(C(=O)[O-])CC1 ZINC000824696359 604665594 /nfs/dbraw/zinc/66/55/94/604665594.db2.gz RQUZBNBYWOXUFM-NSHDSACASA-N -2 3 358.402 2.221 20 0 FEADHL O=C([O-])CCCN(Cc1ccccc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000237955270 604937846 /nfs/dbraw/zinc/93/78/46/604937846.db2.gz OMJBNCALKBTKKN-UHFFFAOYSA-N -2 3 365.389 2.430 20 0 FEADHL CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000645946581 605015141 /nfs/dbraw/zinc/01/51/41/605015141.db2.gz CCHINCZGQRIEBF-SECBINFHSA-N -2 3 356.425 2.280 20 0 FEADHL O=C([O-])NC[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000832555742 605191431 /nfs/dbraw/zinc/19/14/31/605191431.db2.gz CBDDTPNQQGBROB-JTQLQIEISA-N -2 3 372.219 2.096 20 0 FEADHL CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCO1 ZINC000564653289 605300233 /nfs/dbraw/zinc/30/02/33/605300233.db2.gz BQIODYWOOLWRSD-MNOVXSKESA-N -2 3 362.473 2.103 20 0 FEADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000559329493 674538052 /nfs/dbraw/zinc/53/80/52/674538052.db2.gz YJTKGTOTNPJXLX-KOLCDFICSA-N -2 3 366.361 2.412 20 0 FEADHL CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821481794 606414279 /nfs/dbraw/zinc/41/42/79/606414279.db2.gz OFNRBAONNVHHJT-UHFFFAOYSA-N -2 3 358.427 2.187 20 0 FEADHL CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821481794 606414281 /nfs/dbraw/zinc/41/42/81/606414281.db2.gz OFNRBAONNVHHJT-UHFFFAOYSA-N -2 3 358.427 2.187 20 0 FEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C=Cc2ccccc2)n1 ZINC000819972042 606621056 /nfs/dbraw/zinc/62/10/56/606621056.db2.gz YLESQAVYPYYZLJ-MDZDMXLPSA-N -2 3 373.442 2.231 20 0 FEADHL CCn1nc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1C1CC1 ZINC000821568098 606624697 /nfs/dbraw/zinc/62/46/97/606624697.db2.gz HAAGCWOSLJUQPM-UHFFFAOYSA-N -2 3 373.442 2.070 20 0 FEADHL CCn1nc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1C1CC1 ZINC000821568098 606624699 /nfs/dbraw/zinc/62/46/99/606624699.db2.gz HAAGCWOSLJUQPM-UHFFFAOYSA-N -2 3 373.442 2.070 20 0 FEADHL O=S(=O)([N-]c1ccccc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589188 606865300 /nfs/dbraw/zinc/86/53/00/606865300.db2.gz RUCMHWAFVCPMIH-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1ccccc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589188 606865302 /nfs/dbraw/zinc/86/53/02/606865302.db2.gz RUCMHWAFVCPMIH-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1ccnc(Cl)c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826492732 609340692 /nfs/dbraw/zinc/34/06/92/609340692.db2.gz AHWUVOOHRAKPNL-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1ccnc(Cl)c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826492732 609340694 /nfs/dbraw/zinc/34/06/94/609340694.db2.gz AHWUVOOHRAKPNL-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=C(CCOc1ccccc1)[N-][N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000060838709 670389878 /nfs/dbraw/zinc/38/98/78/670389878.db2.gz HGAMRABYIVPSFS-UHFFFAOYSA-N -2 3 372.805 2.258 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)Oc1ccccc1C ZINC000570629787 670743530 /nfs/dbraw/zinc/74/35/30/670743530.db2.gz XIXGEGGSVXTNJD-CYBMUJFWSA-N -2 3 353.396 2.422 20 0 FEADHL C[C@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000565949775 675163427 /nfs/dbraw/zinc/16/34/27/675163427.db2.gz XMOIFKPNLGLUQZ-TVQRCGJNSA-N -2 3 352.437 2.443 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@H](C)C(=O)[O-] ZINC000573079818 671079337 /nfs/dbraw/zinc/07/93/37/671079337.db2.gz KPWSAEMGWZKTGM-NKWVEPMBSA-N -2 3 370.652 2.490 20 0 FEADHL CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000576273948 671357061 /nfs/dbraw/zinc/35/70/61/671357061.db2.gz OCYFWWSXMDNGMZ-UHFFFAOYSA-N -2 3 366.370 2.212 20 0 FEADHL COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000577059425 671413840 /nfs/dbraw/zinc/41/38/40/671413840.db2.gz OXIZMSNJPZOUCQ-JTQLQIEISA-N -2 3 370.452 2.322 20 0 FEADHL Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000578320263 671656828 /nfs/dbraw/zinc/65/68/28/671656828.db2.gz JXAVNOJNGYRJGY-LBPRGKRZSA-N -2 3 353.396 2.340 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@](C)(CC(=O)[O-])c2cccc(F)c2)s1 ZINC000579470978 671738225 /nfs/dbraw/zinc/73/82/25/671738225.db2.gz ZMDLJVWAOVUJBW-CQSZACIVSA-N -2 3 358.416 2.259 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-])s1 ZINC000580623931 671821535 /nfs/dbraw/zinc/82/15/35/671821535.db2.gz CHJTXDUGGIRSTL-BQBZGAKWSA-N -2 3 356.263 2.207 20 0 FEADHL CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCO1 ZINC000581129397 671866655 /nfs/dbraw/zinc/86/66/55/671866655.db2.gz UFKQUVVWOHGHME-QWRGUYRKSA-N -2 3 362.473 2.103 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]Cc1ccccc1OC1CCC1 ZINC000582484956 672006132 /nfs/dbraw/zinc/00/61/32/672006132.db2.gz VWQPFZVEMPCIRP-UHFFFAOYSA-N -2 3 368.436 2.251 20 0 FEADHL CCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000189991029 672629068 /nfs/dbraw/zinc/62/90/68/672629068.db2.gz RVWISYCBCPVIEL-UHFFFAOYSA-N -2 3 354.222 2.455 20 0 FEADHL O=C(N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)c1c([O-])cccc1F ZINC000681355870 672652232 /nfs/dbraw/zinc/65/22/32/672652232.db2.gz ZVWYDIIKXCIYCW-ZDUSSCGKSA-N -2 3 365.727 2.356 20 0 FEADHL O=C(N[C@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1c([O-])cccc1F ZINC000681355870 672652234 /nfs/dbraw/zinc/65/22/34/672652234.db2.gz ZVWYDIIKXCIYCW-ZDUSSCGKSA-N -2 3 365.727 2.356 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)C[C@@H](OC)C1CCCC1 ZINC000594703148 673120177 /nfs/dbraw/zinc/12/01/77/673120177.db2.gz BBWRBHGKWSLGLA-OAHLLOKOSA-N -2 3 357.428 2.126 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)C[C@H](OC)C1CCCC1 ZINC000594703147 673120362 /nfs/dbraw/zinc/12/03/62/673120362.db2.gz BBWRBHGKWSLGLA-HNNXBMFYSA-N -2 3 357.428 2.126 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)c1 ZINC000539400726 673488843 /nfs/dbraw/zinc/48/88/43/673488843.db2.gz VWDZKQSPHJANCJ-QFIPXVFZSA-N -2 3 355.437 2.080 20 0 FEADHL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000540467778 673540952 /nfs/dbraw/zinc/54/09/52/673540952.db2.gz WFRXSXUIDMRGND-UHFFFAOYSA-N -2 3 351.380 2.378 20 0 FEADHL COc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc(Cl)c1[O-] ZINC000614473865 676177099 /nfs/dbraw/zinc/17/70/99/676177099.db2.gz MTSZQFHFVWNGEE-UHFFFAOYSA-N -2 3 353.762 2.163 20 0 FEADHL O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)Cc1ccon1 ZINC000547544604 673860824 /nfs/dbraw/zinc/86/08/24/673860824.db2.gz SQBIELUSMQLLBI-UHFFFAOYSA-N -2 3 361.173 2.077 20 0 FEADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cs1)C(=O)[O-] ZINC000547613117 673874173 /nfs/dbraw/zinc/87/41/73/673874173.db2.gz YDHJVOOJTTUWDD-MWLCHTKSSA-N -2 3 363.457 2.093 20 0 FEADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1F ZINC000547615350 673875202 /nfs/dbraw/zinc/87/52/02/673875202.db2.gz PFVATORTCLEULJ-UHFFFAOYSA-N -2 3 355.318 2.399 20 0 FEADHL O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548212521 673935631 /nfs/dbraw/zinc/93/56/31/673935631.db2.gz NWNWWXMUIWDUTB-LBPRGKRZSA-N -2 3 351.346 2.416 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](Cc2cc(C)cc(C)c2)C(=O)[O-])s1 ZINC000548532774 673966601 /nfs/dbraw/zinc/96/66/01/673966601.db2.gz MLEXSDWQUMSRLI-CYBMUJFWSA-N -2 3 368.480 2.297 20 0 FEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)ccc1[O-])C1CC1 ZINC000567869898 675331507 /nfs/dbraw/zinc/33/15/07/675331507.db2.gz LVGWCMKWHBAKCW-LBPRGKRZSA-N -2 3 350.234 2.321 20 0 FEADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000649466970 677331294 /nfs/dbraw/zinc/33/12/94/677331294.db2.gz HDNHHVHOWKDPOI-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL COC1(C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C(=O)[O-])CCC1 ZINC000650432028 677374092 /nfs/dbraw/zinc/37/40/92/677374092.db2.gz KYGXBWPDPDEYGM-JTQLQIEISA-N -2 3 365.810 2.170 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)[C@H](C)C(=O)[O-] ZINC000654786443 677603352 /nfs/dbraw/zinc/60/33/52/677603352.db2.gz NSHQEMNVKSZADK-BQBZGAKWSA-N -2 3 370.652 2.490 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)Oc1ccccc1 ZINC000761263111 680717230 /nfs/dbraw/zinc/71/72/30/680717230.db2.gz CHPGEZMPYOBLDK-SNVBAGLBSA-N -2 3 371.361 2.409 20 0 FEADHL 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CC(C)COc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cn1 ZINC000735844891 599196661 /nfs/dbraw/zinc/19/66/61/599196661.db2.gz PRTLTIYLTDEBPS-UHFFFAOYSA-N -2 3 374.426 2.097 20 0 FEADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000556778523 674419636 /nfs/dbraw/zinc/41/96/36/674419636.db2.gz OOAQMSHOXRCFLN-JTQLQIEISA-N -2 3 355.309 2.376 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc2ccccc2c1 ZINC000823583338 599232454 /nfs/dbraw/zinc/23/24/54/599232454.db2.gz NPPQGCQXNMBDJC-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL Cc1ccnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737437780 598296373 /nfs/dbraw/zinc/29/63/73/598296373.db2.gz QRWUHVIPDSJRLP-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737437780 598296375 /nfs/dbraw/zinc/29/63/75/598296375.db2.gz QRWUHVIPDSJRLP-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL CC(=CC(=O)N=c1[n-]c(C)nn1-c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000819765338 599631640 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FEADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)o1 ZINC000563072550 600762306 /nfs/dbraw/zinc/76/23/06/600762306.db2.gz MIDKYCLDFJNQIQ-HNNXBMFYSA-N -2 3 367.423 2.347 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2nc3ccccc3s2)cc1C(=O)[O-] ZINC000833027440 601214566 /nfs/dbraw/zinc/21/45/66/601214566.db2.gz TWORZSBGBFETBL-UHFFFAOYSA-N -2 3 352.393 2.374 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccccc2N2CCCC2)cc1C(=O)[O-] ZINC000833026937 601217833 /nfs/dbraw/zinc/21/78/33/601217833.db2.gz LKRABCXCQYNZME-UHFFFAOYSA-N -2 3 364.423 2.365 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(C)cc2)cc1C(=O)[O-] ZINC000575294449 601223126 /nfs/dbraw/zinc/22/31/26/601223126.db2.gz RKFPAFPFDLUTTJ-NSHDSACASA-N -2 3 353.396 2.340 20 0 FEADHL CO[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000831518683 601239670 /nfs/dbraw/zinc/23/96/70/601239670.db2.gz DMXLSIVZCYYNBN-LBPRGKRZSA-N -2 3 371.361 2.329 20 0 FEADHL C[C@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)c1nc(C2CCCCC2)no1 ZINC000827741912 601519033 /nfs/dbraw/zinc/51/90/33/601519033.db2.gz XEFTUABSUOQMON-NSHDSACASA-N -2 3 371.459 2.353 20 0 FEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000776577913 601613150 /nfs/dbraw/zinc/61/31/50/601613150.db2.gz QZDLEBPQFGPUNR-SNVBAGLBSA-N -2 3 355.309 2.376 20 0 FEADHL C[C@@H](CS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000827550780 601796964 /nfs/dbraw/zinc/79/69/64/601796964.db2.gz CNEFTRWCTDBHJT-DTWKUNHWSA-N -2 3 373.818 2.091 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1F ZINC000547546879 601809875 /nfs/dbraw/zinc/80/98/75/601809875.db2.gz CGRDUHJNMQFDLA-ZDUSSCGKSA-N -2 3 363.288 2.347 20 0 FEADHL COCc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826165370 607533869 /nfs/dbraw/zinc/53/38/69/607533869.db2.gz RPFFURAPCOTCJD-UHFFFAOYSA-N -2 3 359.411 2.122 20 0 FEADHL COCc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826165370 607533871 /nfs/dbraw/zinc/53/38/71/607533871.db2.gz RPFFURAPCOTCJD-UHFFFAOYSA-N -2 3 359.411 2.122 20 0 FEADHL CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccccc2C(=O)[O-])c1C ZINC000829869902 601934885 /nfs/dbraw/zinc/93/48/85/601934885.db2.gz SSDYCKUIGJYWND-UHFFFAOYSA-N -2 3 367.379 2.274 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739038965 601994293 /nfs/dbraw/zinc/99/42/93/601994293.db2.gz LWULUXYJICIAFY-RKDXNWHRSA-N -2 3 352.865 2.458 20 0 FEADHL Cc1cc(C)nc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826265995 607539136 /nfs/dbraw/zinc/53/91/36/607539136.db2.gz XUMLONRJMCQOHT-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1CC1 ZINC000124814264 602148208 /nfs/dbraw/zinc/14/82/08/602148208.db2.gz IIOMAALYTJZPON-LURJTMIESA-N -2 3 352.206 2.065 20 0 FEADHL O=C([O-])Nc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000740710346 602601105 /nfs/dbraw/zinc/60/11/05/602601105.db2.gz AIFRLKYQYGSONK-UHFFFAOYSA-N -2 3 358.354 2.034 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3CCN(C(=O)[O-])C[C@H]3C)cc2)cc(=O)[n-]1 ZINC000740210367 602745075 /nfs/dbraw/zinc/74/50/75/602745075.db2.gz TUBZKEUIYXVDBJ-LLVKDONJSA-N -2 3 371.397 2.374 20 0 FEADHL O=C([O-])N1CC[C@H](CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000740499457 602880290 /nfs/dbraw/zinc/88/02/90/602880290.db2.gz ZVWHFUKUMXADAB-QMMMGPOBSA-N -2 3 368.242 2.057 20 0 FEADHL O=C([O-])NC[C@H]([N-]S(=O)(=O)c1cccnc1Cl)C1CCCCC1 ZINC000740613685 602880792 /nfs/dbraw/zinc/88/07/92/602880792.db2.gz OVCSCBCZDKHPOZ-NSHDSACASA-N -2 3 361.851 2.230 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCC[C@H]3NC(=O)[O-])cc2)n1 ZINC000740055519 602970707 /nfs/dbraw/zinc/97/07/07/602970707.db2.gz SUTNYPLCJPEEFQ-UONOGXRCSA-N -2 3 356.382 2.120 20 0 FEADHL O=C([O-])NC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1CC1 ZINC000740613730 603069515 /nfs/dbraw/zinc/06/95/15/603069515.db2.gz PBHOKJXPAXUNCC-JTQLQIEISA-N -2 3 370.324 2.169 20 0 FEADHL O=C([O-])N[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000740534563 603297218 /nfs/dbraw/zinc/29/72/18/603297218.db2.gz UCZWIDKWOFQTTQ-ZDUSSCGKSA-N -2 3 372.772 2.468 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1CO ZINC000833663558 604745536 /nfs/dbraw/zinc/74/55/36/604745536.db2.gz XEXNFBUCUDPMSA-UHFFFAOYSA-N -2 3 369.370 2.216 20 0 FEADHL CC(C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313420 605075568 /nfs/dbraw/zinc/07/55/68/605075568.db2.gz HZAZEKRGSMHIAW-ZETCQYMHSA-N -2 3 354.222 2.453 20 0 FEADHL COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000581427491 605197105 /nfs/dbraw/zinc/19/71/05/605197105.db2.gz UVZCGDSIGMVGJS-NSHDSACASA-N -2 3 353.396 2.286 20 0 FEADHL CC(C)(CO)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000833462023 605210822 /nfs/dbraw/zinc/21/08/22/605210822.db2.gz RNVDSJMDIBZGBX-AWEZNQCLSA-N -2 3 367.423 2.058 20 0 FEADHL C[C@H](OCCC[N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccccc1 ZINC000582358222 605301846 /nfs/dbraw/zinc/30/18/46/605301846.db2.gz LZIZLLIXIAOMNN-NSHDSACASA-N -2 3 370.452 2.288 20 0 FEADHL O=C([O-])NC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC000834156434 605407589 /nfs/dbraw/zinc/40/75/89/605407589.db2.gz ZRTBVXSECPNELF-UHFFFAOYSA-N -2 3 353.227 2.462 20 0 FEADHL O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000832356364 605539772 /nfs/dbraw/zinc/53/97/72/605539772.db2.gz CCWRZUCRMZNLRV-VXGBXAGGSA-N -2 3 358.402 2.412 20 0 FEADHL O=C([O-])Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000834263133 605839049 /nfs/dbraw/zinc/83/90/49/605839049.db2.gz RJDWUTXHPMNEBF-ZDUSSCGKSA-N -2 3 370.365 2.120 20 0 FEADHL Cc1cncc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000822399604 606203151 /nfs/dbraw/zinc/20/31/51/606203151.db2.gz KRICIOJOXFCAIW-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1cncc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000822399604 606203152 /nfs/dbraw/zinc/20/31/52/606203152.db2.gz KRICIOJOXFCAIW-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822379898 606637372 /nfs/dbraw/zinc/63/73/72/606637372.db2.gz UTGVJULNDWKEFK-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822379898 606637373 /nfs/dbraw/zinc/63/73/73/606637373.db2.gz UTGVJULNDWKEFK-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=S(=O)([N-]c1cc(-c2ccccc2)on1)c1cccc(-c2nnn[n-]2)c1 ZINC000823583662 606637497 /nfs/dbraw/zinc/63/74/97/606637497.db2.gz XMIUJAFATIFPBH-UHFFFAOYSA-N -2 3 368.378 2.323 20 0 FEADHL O=S(=O)([N-]c1cc(-c2ccccc2)on1)c1cccc(-c2nn[n-]n2)c1 ZINC000823583662 606637498 /nfs/dbraw/zinc/63/74/98/606637498.db2.gz XMIUJAFATIFPBH-UHFFFAOYSA-N -2 3 368.378 2.323 20 0 FEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC000826256058 607816775 /nfs/dbraw/zinc/81/67/75/607816775.db2.gz SWVAQMAQDGGBLL-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC000826256058 607816776 /nfs/dbraw/zinc/81/67/76/607816776.db2.gz SWVAQMAQDGGBLL-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL CC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824024612 609350266 /nfs/dbraw/zinc/35/02/66/609350266.db2.gz MGLZNFBLORYWIY-NSHDSACASA-N -2 3 367.365 2.181 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccccc1 ZINC000562409751 674752424 /nfs/dbraw/zinc/75/24/24/674752424.db2.gz STOBYOGNVZCZKR-LLVKDONJSA-N -2 3 374.340 2.247 20 0 FEADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000569769319 670609288 /nfs/dbraw/zinc/60/92/88/670609288.db2.gz XGIJCTCBPWUPIP-SKDRFNHKSA-N -2 3 351.346 2.416 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000565465781 675123790 /nfs/dbraw/zinc/12/37/90/675123790.db2.gz MQRHSNGJYLRIBP-UHFFFAOYSA-N -2 3 368.636 2.246 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000572360307 670992459 /nfs/dbraw/zinc/99/24/59/670992459.db2.gz RGBIABPAUGBISQ-DZGCQCFKSA-N -2 3 351.380 2.095 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H]2c2ccccc2)c1 ZINC000576461918 671370425 /nfs/dbraw/zinc/37/04/25/671370425.db2.gz NPYBHSCEFJDKRG-IUODEOHRSA-N -2 3 351.380 2.034 20 0 FEADHL CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000577489126 671599487 /nfs/dbraw/zinc/59/94/87/671599487.db2.gz NBZGOPXMPCLSDU-UHFFFAOYSA-N -2 3 370.452 2.322 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)c(F)c1 ZINC000578532933 671672293 /nfs/dbraw/zinc/67/22/93/671672293.db2.gz DWEVQJOPVGJQDI-QMMMGPOBSA-N -2 3 373.324 2.156 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1scnc1C(=O)[O-])Oc1ccccc1F ZINC000579588118 671746683 /nfs/dbraw/zinc/74/66/83/671746683.db2.gz YAFVJHWBEDJBLF-SECBINFHSA-N -2 3 374.415 2.116 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C1(Cc2cccc(F)c2)CCC1 ZINC000579828750 671763526 /nfs/dbraw/zinc/76/35/26/671763526.db2.gz OHQXJDNNTFOKRE-UHFFFAOYSA-N -2 3 370.427 2.424 20 0 FEADHL O=C(Nc1nc(Br)ccc1[O-])c1nnc2ccccc2c1[O-] ZINC000121522288 671951747 /nfs/dbraw/zinc/95/17/47/671951747.db2.gz KVVFAPBHUGTGAH-UHFFFAOYSA-N -2 3 361.155 2.039 20 0 FEADHL CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cccnc2C(=O)[O-])n1 ZINC000583562209 672106877 /nfs/dbraw/zinc/10/68/77/672106877.db2.gz HKMBLTASZAEDJQ-UHFFFAOYSA-N -2 3 355.441 2.012 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C)cc(C)c2OC)c[n-]1 ZINC000585730411 672227699 /nfs/dbraw/zinc/22/76/99/672227699.db2.gz QKPMCULOHCAMLO-UHFFFAOYSA-N -2 3 353.400 2.013 20 0 FEADHL Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)o1 ZINC000181729429 672429886 /nfs/dbraw/zinc/42/98/86/672429886.db2.gz OIVPTFWSKFRNKW-UHFFFAOYSA-N -2 3 373.774 2.081 20 0 FEADHL O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1cc([O-])cc(Br)c1 ZINC000700743791 673056364 /nfs/dbraw/zinc/05/63/64/673056364.db2.gz TYCZZGXQRONSFP-QMMMGPOBSA-N -2 3 356.094 2.290 20 0 FEADHL COC(=O)CCc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC000538297361 673432719 /nfs/dbraw/zinc/43/27/19/673432719.db2.gz YKKGTKWZIQXVEY-UHFFFAOYSA-N -2 3 365.407 2.307 20 0 FEADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000547570226 673865427 /nfs/dbraw/zinc/86/54/27/673865427.db2.gz VIFWRQQXWCOYME-SECBINFHSA-N -2 3 365.249 2.012 20 0 FEADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000547611014 673873795 /nfs/dbraw/zinc/87/37/95/673873795.db2.gz OHQURRRLCNDRAF-GFCCVEGCSA-N -2 3 365.423 2.396 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](CCCc1ccccc1)C(=O)[O-] ZINC000547614123 673874529 /nfs/dbraw/zinc/87/45/29/673874529.db2.gz GGMKVNMFCUYVKR-CQSZACIVSA-N -2 3 352.412 2.046 20 0 FEADHL O=C([O-])c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000547869458 673895156 /nfs/dbraw/zinc/89/51/56/673895156.db2.gz JQXJLFAJOSYDPL-SECBINFHSA-N -2 3 353.318 2.324 20 0 FEADHL C[C@@H]1CCC[C@@]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)(C(=O)[O-])C1 ZINC000548837111 674000082 /nfs/dbraw/zinc/00/00/82/674000082.db2.gz OXGYXEYVIYOHFX-CLAHSXSESA-N -2 3 351.346 2.416 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC000826299608 675685925 /nfs/dbraw/zinc/68/59/25/675685925.db2.gz MMCCOPUAPJYURY-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1-c1nn[n-]n1)c1cccc(F)c1F ZINC000826493106 675689492 /nfs/dbraw/zinc/68/94/92/675689492.db2.gz UESNPRYZOOXWQM-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL COCc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1OC ZINC000629330034 676847334 /nfs/dbraw/zinc/84/73/34/676847334.db2.gz YMCYFJXPBFODTP-UHFFFAOYSA-N -2 3 353.396 2.357 20 0 FEADHL Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000634786835 677082135 /nfs/dbraw/zinc/08/21/35/677082135.db2.gz XTLNXESMBQKHQA-UHFFFAOYSA-N -2 3 366.414 2.477 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3[nH]c(=O)c(C)cc3c2)c1 ZINC000647919817 677308506 /nfs/dbraw/zinc/30/85/06/677308506.db2.gz UYVXKCGIZLBDQC-UHFFFAOYSA-N -2 3 360.391 2.352 20 0 FEADHL Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C ZINC000650229548 677361272 /nfs/dbraw/zinc/36/12/72/677361272.db2.gz CBXHGFLXULEZJV-MRVPVSSYSA-N -2 3 356.263 2.207 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@@H](C)C(=O)[O-] ZINC000654786088 677603364 /nfs/dbraw/zinc/60/33/64/677603364.db2.gz HNQNGZGKCWNPPH-RNFRBKRXSA-N -2 3 370.652 2.490 20 0 FEADHL COc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000663418643 678733767 /nfs/dbraw/zinc/73/37/67/678733767.db2.gz KSASZWKQZKFIRX-LLVKDONJSA-N -2 3 369.395 2.041 20 0 FEADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C12CCCC2 ZINC000663421982 678734670 /nfs/dbraw/zinc/73/46/70/678734670.db2.gz AECJCRPNUFQJAR-NWDGAFQWSA-N -2 3 357.428 2.302 20 0 FEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H]1C(C)(C)C1(F)F ZINC000663426973 678736651 /nfs/dbraw/zinc/73/66/51/678736651.db2.gz PYGUFCPWWSUAAB-QMMMGPOBSA-N -2 3 355.384 2.025 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)oc1C(=O)[O-] ZINC000663430646 678738360 /nfs/dbraw/zinc/73/83/60/678738360.db2.gz BRSOSSFFDFGERU-KWCYVHTRSA-N -2 3 351.355 2.042 20 0 FEADHL CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000840893444 680850220 /nfs/dbraw/zinc/85/02/20/680850220.db2.gz IBRFODJDPXHZBO-YUMQZZPRSA-N -2 3 366.233 2.311 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)c1cccnc1 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/nfs/dbraw/zinc/36/03/85/558360385.db2.gz ZDBZYNBOOPOGHT-UHFFFAOYSA-N -2 3 367.337 2.269 20 0 FEADHL CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000414331342 559156734 /nfs/dbraw/zinc/15/67/34/559156734.db2.gz SZXLUMYBPGIGKK-QMMMGPOBSA-N -2 3 361.363 2.082 20 0 FEADHL CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CCO1 ZINC000414332817 559156870 /nfs/dbraw/zinc/15/68/70/559156870.db2.gz LXLCDFWGVSTFQP-FZMZJTMJSA-N -2 3 359.419 2.253 20 0 FEADHL Cc1ccc(CC[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)nc1 ZINC000414346023 559157734 /nfs/dbraw/zinc/15/77/34/559157734.db2.gz LXVZQTISSRDXMO-UHFFFAOYSA-N -2 3 352.387 2.057 20 0 FEADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)CC1 ZINC000414373327 559159235 /nfs/dbraw/zinc/15/92/35/559159235.db2.gz RQGSQKWIHUHMJN-UHFFFAOYSA-N -2 3 373.452 2.334 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416959700 559340463 /nfs/dbraw/zinc/34/04/63/559340463.db2.gz NEWITLPQPAIDJO-JTQLQIEISA-N -2 3 365.411 2.073 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])CCCCC1 ZINC000427133933 559748691 /nfs/dbraw/zinc/74/86/91/559748691.db2.gz TXKNDCVIQRDOFF-UHFFFAOYSA-N -2 3 373.402 2.389 20 0 FEADHL Cc1cc(C(=O)N=c2[n-]nc(Cc3ccc(Cl)cc3)s2)[n-]c(=O)n1 ZINC000428876889 559785270 /nfs/dbraw/zinc/78/52/70/559785270.db2.gz PYTMUBMROGOKKY-UHFFFAOYSA-N -2 3 361.814 2.839 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1C(=O)[O-] ZINC000432648433 559862498 /nfs/dbraw/zinc/86/24/98/559862498.db2.gz JIYOZMSYKKYJDP-UHFFFAOYSA-N -2 3 374.418 2.267 20 0 FEADHL COc1cc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)ccc1C(=O)[O-] ZINC000432779169 559864447 /nfs/dbraw/zinc/86/44/47/559864447.db2.gz JNQOZSMQOCCYAM-UHFFFAOYSA-N -2 3 350.396 2.260 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1C(=O)[O-] ZINC000436189992 559937153 /nfs/dbraw/zinc/93/71/53/559937153.db2.gz VJJSRRBFZCIEJO-UHFFFAOYSA-N -2 3 363.391 2.272 20 0 FEADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2CCc3cc(F)ccc32)c1 ZINC000436525504 559944227 /nfs/dbraw/zinc/94/42/27/559944227.db2.gz GISAJJWNNLQFGN-UHFFFAOYSA-N -2 3 351.355 2.289 20 0 FEADHL COc1cc(/C=C/c2cc(=O)n3[n-]cnc3n2)cc(Br)c1[O-] ZINC000436716794 559949814 /nfs/dbraw/zinc/94/98/14/559949814.db2.gz RCZZDDIHQLXQLE-NSCUHMNNSA-N -2 3 363.171 2.065 20 0 FEADHL C[C@]1(c2cccc(NC(=O)c3ccc(Cl)cc3[O-])c2)NC(=O)[N-]C1=O ZINC000436725644 559950263 /nfs/dbraw/zinc/95/02/63/559950263.db2.gz YMALRZIONIWBLN-QGZVFWFLSA-N -2 3 359.769 2.353 20 0 FEADHL Cn1[n-]c(=NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1OC(F)F ZINC000436822244 559953267 /nfs/dbraw/zinc/95/32/67/559953267.db2.gz SMZZIMARODLETC-UHFFFAOYSA-N -2 3 353.325 2.693 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC2CCC2)c(F)c1 ZINC000451042069 560284316 /nfs/dbraw/zinc/28/43/16/560284316.db2.gz LDBZNRJWNGNZAL-UHFFFAOYSA-N -2 3 364.464 2.056 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Cn2cncn2)c1 ZINC000466283173 560883342 /nfs/dbraw/zinc/88/33/42/560883342.db2.gz NFQRELGVNUSWSH-UHFFFAOYSA-N -2 3 372.406 2.134 20 0 FEADHL CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)ccc21 ZINC000466351963 560884894 /nfs/dbraw/zinc/88/48/94/560884894.db2.gz FTDKDGHNADEWJJ-UHFFFAOYSA-N -2 3 374.418 2.403 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)o1 ZINC000530153207 562400266 /nfs/dbraw/zinc/40/02/66/562400266.db2.gz MSFXTXQCSDIIQV-BIGNPOOSSA-N -2 3 353.783 2.248 20 0 FEADHL COc1ccc(C(C)(C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1F ZINC000530152054 562400307 /nfs/dbraw/zinc/40/03/07/562400307.db2.gz VZZRSODRFPJNNI-UHFFFAOYSA-N -2 3 374.415 2.203 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCOCC2)sc1Cl ZINC000530488653 562413321 /nfs/dbraw/zinc/41/33/21/562413321.db2.gz XVIGOFDJUKODPJ-SNVBAGLBSA-N -2 3 367.876 2.258 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)cc1C ZINC000531951657 562462456 /nfs/dbraw/zinc/46/24/56/562462456.db2.gz SMLWXRILWBYSAU-UHFFFAOYSA-N -2 3 373.438 2.298 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)cc1C ZINC000531951657 562462457 /nfs/dbraw/zinc/46/24/57/562462457.db2.gz SMLWXRILWBYSAU-UHFFFAOYSA-N -2 3 373.438 2.298 20 0 FEADHL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000533691315 562516245 /nfs/dbraw/zinc/51/62/45/562516245.db2.gz GOIYIMKZJHYKBX-UWVGGRQHSA-N -2 3 360.407 2.167 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(Cl)c1 ZINC000535139629 562551867 /nfs/dbraw/zinc/55/18/67/562551867.db2.gz ZUVREJASLLIVPE-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(Cl)c1 ZINC000535139629 562551868 /nfs/dbraw/zinc/55/18/68/562551868.db2.gz ZUVREJASLLIVPE-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1cc(F)cc(Cl)c1 ZINC000535891129 562570486 /nfs/dbraw/zinc/57/04/86/562570486.db2.gz FFLIGZLMGJYTPS-UHFFFAOYSA-N -2 3 367.793 2.384 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1cc(F)cc(Cl)c1 ZINC000535891129 562570487 /nfs/dbraw/zinc/57/04/87/562570487.db2.gz FFLIGZLMGJYTPS-UHFFFAOYSA-N -2 3 367.793 2.384 20 0 FEADHL Cc1oc(C[N-]S(=O)(=O)c2ccccc2OC(F)F)cc1C(=O)[O-] ZINC000541930101 562623652 /nfs/dbraw/zinc/62/36/52/562623652.db2.gz NUXSJHWETQFNHD-UHFFFAOYSA-N -2 3 361.322 2.366 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1)c1ccc(C)o1 ZINC000545545631 562628710 /nfs/dbraw/zinc/62/87/10/562628710.db2.gz KVHSXLRGRHBHCB-HNNXBMFYSA-N -2 3 367.423 2.271 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c1 ZINC000545558174 562628960 /nfs/dbraw/zinc/62/89/60/562628960.db2.gz RMCCSORIUBFRHT-UHFFFAOYSA-N -2 3 367.354 2.040 20 0 FEADHL O=S(=O)([N-]c1nc(C2CC2)cs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738339946 598910463 /nfs/dbraw/zinc/91/04/63/598910463.db2.gz RIXIVWAWOCJTIM-UHFFFAOYSA-N -2 3 366.403 2.141 20 0 FEADHL O=S(=O)([N-]c1nc(C2CC2)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738339946 598910464 /nfs/dbraw/zinc/91/04/64/598910464.db2.gz RIXIVWAWOCJTIM-UHFFFAOYSA-N -2 3 366.403 2.141 20 0 FEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccnn1[C@H](C)C1CC1 ZINC000737225275 598948994 /nfs/dbraw/zinc/94/89/94/598948994.db2.gz AWOLZNTXPFFIGY-LLVKDONJSA-N -2 3 373.442 2.143 20 0 FEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccnn1[C@H](C)C1CC1 ZINC000737225275 598948996 /nfs/dbraw/zinc/94/89/96/598948996.db2.gz AWOLZNTXPFFIGY-LLVKDONJSA-N -2 3 373.442 2.143 20 0 FEADHL Cc1c([N-]S(=O)(=O)c2c(F)cccc2F)cccc1-c1nnn[n-]1 ZINC000822123043 607255146 /nfs/dbraw/zinc/25/51/46/607255146.db2.gz SZHMSZDXSRLQFE-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1c([N-]S(=O)(=O)c2c(F)cccc2F)cccc1-c1nn[n-]n1 ZINC000822123043 607255147 /nfs/dbraw/zinc/25/51/47/607255147.db2.gz SZHMSZDXSRLQFE-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@@H](C)NC(=O)[O-])s1 ZINC000829899489 603110193 /nfs/dbraw/zinc/11/01/93/603110193.db2.gz GVFGLHYEDCTWIM-ZCFIWIBFSA-N -2 3 371.278 2.144 20 0 FEADHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820108712 599233186 /nfs/dbraw/zinc/23/31/86/599233186.db2.gz PFNFNLIPDGYSES-UHFFFAOYSA-N -2 3 358.427 2.261 20 0 FEADHL O=S(=O)([N-]c1nc2ccsc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000738339902 599286425 /nfs/dbraw/zinc/28/64/25/599286425.db2.gz QRJCDUBYECORPT-UHFFFAOYSA-N -2 3 364.437 2.339 20 0 FEADHL O=S(=O)([N-]c1cccc(C(F)(F)F)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000738343303 598638303 /nfs/dbraw/zinc/63/83/03/598638303.db2.gz WSBUJPXGQJEDAJ-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL O=S(=O)([N-]c1cccc(C(F)(F)F)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000738343303 598638305 /nfs/dbraw/zinc/63/83/05/598638305.db2.gz WSBUJPXGQJEDAJ-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccnc2OC2CCCC2)o1 ZINC000740177919 599771549 /nfs/dbraw/zinc/77/15/49/599771549.db2.gz WLWSZCMGAIKCFN-UHFFFAOYSA-N -2 3 366.395 2.173 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCOc2cccc3ccccc32)o1 ZINC000740176617 599772479 /nfs/dbraw/zinc/77/24/79/599772479.db2.gz KSCPZCBLKTYEDW-UHFFFAOYSA-N -2 3 361.375 2.488 20 0 FEADHL C[C@H](CCc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736561156 599775318 /nfs/dbraw/zinc/77/53/18/599775318.db2.gz JCUDLLSZIBWYHY-SNVBAGLBSA-N -2 3 367.379 2.006 20 0 FEADHL CC(C)C[C@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(=O)OC(C)C ZINC000736452713 600234900 /nfs/dbraw/zinc/23/49/00/600234900.db2.gz DNKWJXUOUTXXJE-HNNXBMFYSA-N -2 3 371.455 2.171 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1C(=O)[O-] ZINC000738744148 600678899 /nfs/dbraw/zinc/67/88/99/600678899.db2.gz KKNYGFFHFASOKT-UHFFFAOYSA-N -3 3 371.317 2.470 20 0 FEADHL O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000739823829 600890124 /nfs/dbraw/zinc/89/01/24/600890124.db2.gz LLKXHRBONFLPEE-UHFFFAOYSA-N -2 3 358.375 2.499 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)COc2cccc(F)c2)cc1C(=O)[O-] ZINC000584289371 601217546 /nfs/dbraw/zinc/21/75/46/601217546.db2.gz GOWAHMJQMUMHLA-SECBINFHSA-N -2 3 357.359 2.171 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000833029075 601217896 /nfs/dbraw/zinc/21/78/96/601217896.db2.gz YMNMRMZJJRHUKJ-UHFFFAOYSA-N -2 3 364.423 2.234 20 0 FEADHL COc1cccc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000393041114 601231602 /nfs/dbraw/zinc/23/16/02/601231602.db2.gz ZZHOFKGEYJHVAE-UHFFFAOYSA-N -2 3 371.361 2.193 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2COc3ccccc32)c1F ZINC000324940004 601233599 /nfs/dbraw/zinc/23/35/99/601233599.db2.gz QCIOXMAFRNLWSZ-JTQLQIEISA-N -2 3 355.318 2.075 20 0 FEADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000831590506 601266723 /nfs/dbraw/zinc/26/67/23/601266723.db2.gz JJRGWDFXEHZJSI-GFCCVEGCSA-N -2 3 373.324 2.003 20 0 FEADHL O=C([O-])CC1([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCC1 ZINC000583810521 601444642 /nfs/dbraw/zinc/44/46/42/601444642.db2.gz SUBKUJQOHIVJCG-UHFFFAOYSA-N -2 3 352.437 2.486 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000827755413 601523223 /nfs/dbraw/zinc/52/32/23/601523223.db2.gz QAWQXAJDMHEXFM-AMJWSMQMSA-N -2 3 351.380 2.209 20 0 FEADHL CC(C)c1cc(C[N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)on1 ZINC000827106866 601578412 /nfs/dbraw/zinc/57/84/12/601578412.db2.gz DJYOPOJTXCUWAH-UHFFFAOYSA-N -2 3 360.338 2.253 20 0 FEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C1CC1 ZINC000137199159 601612818 /nfs/dbraw/zinc/61/28/18/601612818.db2.gz GEZOUUJLOUNAIQ-SSDOTTSWSA-N -2 3 354.247 2.042 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)C[C@H](O)c2ccccc2)cc1C(=O)[O-] ZINC000833027519 601885255 /nfs/dbraw/zinc/88/52/55/601885255.db2.gz GMTKSDBKKGDUQN-HZMBPMFUSA-N -2 3 353.396 2.077 20 0 FEADHL COC(=O)[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831107986 601991770 /nfs/dbraw/zinc/99/17/70/601991770.db2.gz PVQBMMHKJGEXII-WCQYABFASA-N -2 3 373.427 2.077 20 0 FEADHL COc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c(Cl)c1 ZINC000577175305 602165683 /nfs/dbraw/zinc/16/56/83/602165683.db2.gz OZPCOWKNZPENGA-UHFFFAOYSA-N -2 3 373.814 2.469 20 0 FEADHL CCc1cc(=O)[n-]c(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)n1 ZINC000830224797 602236858 /nfs/dbraw/zinc/23/68/58/602236858.db2.gz WFVALYKFMWJSDX-CQSZACIVSA-N -2 3 366.215 2.423 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)ccc1O ZINC000739780556 602645726 /nfs/dbraw/zinc/64/57/26/602645726.db2.gz PETZEPBVVZSKIZ-UHFFFAOYSA-N -2 3 366.351 2.070 20 0 FEADHL O=C([O-])Nc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)c([O-])c1 ZINC000740699918 602840892 /nfs/dbraw/zinc/84/08/92/602840892.db2.gz MIZCQPWZLLTOOV-UHFFFAOYSA-N -2 3 355.394 2.440 20 0 FEADHL Cc1nccn1-c1ncccc1CNC(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000740239137 602853380 /nfs/dbraw/zinc/85/33/80/602853380.db2.gz JWCAFKWLHCBZFO-UHFFFAOYSA-N -2 3 367.365 2.301 20 0 FEADHL O=C([O-])N[C@@H](CNC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000740536043 603022544 /nfs/dbraw/zinc/02/25/44/603022544.db2.gz OKZWFGHFJZXUPR-AWEZNQCLSA-N -2 3 352.350 2.074 20 0 FEADHL O=C([O-])NC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000740610843 603071004 /nfs/dbraw/zinc/07/10/04/603071004.db2.gz CGDHFDYCQJJRCD-VIFPVBQESA-N -2 3 353.227 2.318 20 0 FEADHL CCC(CC)(CNC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000826547548 603115625 /nfs/dbraw/zinc/11/56/25/603115625.db2.gz KIPLAJAWCSKMHC-UHFFFAOYSA-N -2 3 354.350 2.209 20 0 FEADHL O=C([O-])NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000832492281 603130749 /nfs/dbraw/zinc/13/07/49/603130749.db2.gz UKBYDRCAGVNOJC-GMSGAONNSA-N -2 3 368.242 2.103 20 0 FEADHL O=C([O-])NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000832483905 603131848 /nfs/dbraw/zinc/13/18/48/603131848.db2.gz UNNRSVVWCRNCCW-GZMMTYOYSA-N -2 3 350.799 2.194 20 0 FEADHL O=C([O-])NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000832483912 603132728 /nfs/dbraw/zinc/13/27/28/603132728.db2.gz UNNRSVVWCRNCCW-LDYMZIIASA-N -2 3 350.799 2.194 20 0 FEADHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000739927210 603239234 /nfs/dbraw/zinc/23/92/34/603239234.db2.gz ODGYKTDTBSNFHT-MRVPVSSYSA-N -2 3 353.227 2.414 20 0 FEADHL C[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823724705 603389806 /nfs/dbraw/zinc/38/98/06/603389806.db2.gz SOKVSTZVBWHNJM-APPZFPTMSA-N -2 3 357.292 2.407 20 0 FEADHL O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000833226708 604353361 /nfs/dbraw/zinc/35/33/61/604353361.db2.gz YGXDTGWDSWZFHT-UHFFFAOYSA-N -2 3 366.373 2.077 20 0 FEADHL COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(OCC(=O)[O-])cc3)nc21 ZINC000833716621 605059026 /nfs/dbraw/zinc/05/90/26/605059026.db2.gz OQVCBWBBAFBFAG-UHFFFAOYSA-N -2 3 369.333 2.065 20 0 FEADHL C[C@H](OCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000577846100 605191179 /nfs/dbraw/zinc/19/11/79/605191179.db2.gz YVNGHXZIIZCNRZ-LBPRGKRZSA-N -2 3 353.396 2.424 20 0 FEADHL O=C([O-])N1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000832009781 605191378 /nfs/dbraw/zinc/19/13/78/605191378.db2.gz PBJMWTVRKFFLOO-UHFFFAOYSA-N -2 3 372.219 2.050 20 0 FEADHL COc1cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c(C(=O)[O-])cc1OC ZINC000833728886 605321655 /nfs/dbraw/zinc/32/16/55/605321655.db2.gz CHECHNYYUOTRCD-UKTHLTGXSA-N -2 3 368.345 2.125 20 0 FEADHL O=C(c1cnn(Cc2cccc(-c3nn[n-]n3)c2)c1)c1cc(F)ccc1[O-] ZINC000823498298 606415568 /nfs/dbraw/zinc/41/55/68/606415568.db2.gz KNMHLTIYLMSFPU-UHFFFAOYSA-N -2 3 364.340 2.187 20 0 FEADHL CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820072281 606882427 /nfs/dbraw/zinc/88/24/27/606882427.db2.gz DLLYSIZFKHZVLJ-SECBINFHSA-N -2 3 359.402 2.248 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823588862 607003017 /nfs/dbraw/zinc/00/30/17/607003017.db2.gz CTFWIUOGHRPNCV-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823588862 607003019 /nfs/dbraw/zinc/00/30/19/607003019.db2.gz CTFWIUOGHRPNCV-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL Cc1cc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)ccc1C(=O)[O-] ZINC000822207364 607110299 /nfs/dbraw/zinc/11/02/99/607110299.db2.gz TVLXMNTVQDZUKF-NSHDSACASA-N -2 3 367.365 2.279 20 0 FEADHL Cc1cc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)ccc1C(=O)[O-] ZINC000822207364 607110301 /nfs/dbraw/zinc/11/03/01/607110301.db2.gz TVLXMNTVQDZUKF-NSHDSACASA-N -2 3 367.365 2.279 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC000822129237 607152578 /nfs/dbraw/zinc/15/25/78/607152578.db2.gz JZRFTOCXLQXZOR-UHFFFAOYSA-N -2 3 374.357 2.256 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000822129237 607152580 /nfs/dbraw/zinc/15/25/80/607152580.db2.gz JZRFTOCXLQXZOR-UHFFFAOYSA-N -2 3 374.357 2.256 20 0 FEADHL CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826230387 608583454 /nfs/dbraw/zinc/58/34/54/608583454.db2.gz QIQSODIVGYTZLJ-UHFFFAOYSA-N -2 3 362.440 2.093 20 0 FEADHL CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826230387 608583456 /nfs/dbraw/zinc/58/34/56/608583456.db2.gz QIQSODIVGYTZLJ-UHFFFAOYSA-N -2 3 362.440 2.093 20 0 FEADHL Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826365766 609383134 /nfs/dbraw/zinc/38/31/34/609383134.db2.gz CDKXROLRAQLAQD-UHFFFAOYSA-N -2 3 373.442 2.059 20 0 FEADHL Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826365766 609383136 /nfs/dbraw/zinc/38/31/36/609383136.db2.gz CDKXROLRAQLAQD-UHFFFAOYSA-N -2 3 373.442 2.059 20 0 FEADHL CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)cc1 ZINC000029048908 670094871 /nfs/dbraw/zinc/09/48/71/670094871.db2.gz WTGCVSQEPBKJPC-UHFFFAOYSA-N -2 3 367.471 2.171 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])CCCC1 ZINC000571253367 670841993 /nfs/dbraw/zinc/84/19/93/670841993.db2.gz WWUAGFMIKZRKQS-UHFFFAOYSA-N -2 3 373.402 2.307 20 0 FEADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000565764710 675149627 /nfs/dbraw/zinc/14/96/27/675149627.db2.gz XIRMKAAQTCZDFV-APPZFPTMSA-N -2 3 355.309 2.376 20 0 FEADHL C[C@@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000565949774 675163503 /nfs/dbraw/zinc/16/35/03/675163503.db2.gz XMOIFKPNLGLUQZ-RNCFNFMXSA-N -2 3 352.437 2.443 20 0 FEADHL CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)s1 ZINC000572770042 671042897 /nfs/dbraw/zinc/04/28/97/671042897.db2.gz FIMIYOGOISJAQF-UHFFFAOYSA-N -2 3 373.431 2.151 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1CO ZINC000573972379 671187897 /nfs/dbraw/zinc/18/78/97/671187897.db2.gz XHMYVTCWJHOLSZ-UHFFFAOYSA-N -2 3 365.407 2.006 20 0 FEADHL Cc1cc(Br)sc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1 ZINC000650229625 677361165 /nfs/dbraw/zinc/36/11/65/677361165.db2.gz FTAQNCNDLOTZHI-UHFFFAOYSA-N -2 3 368.274 2.495 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3c(F)cccc32)o1 ZINC000574914333 671285814 /nfs/dbraw/zinc/28/58/14/671285814.db2.gz JOLNZWXUNPVTJY-NSHDSACASA-N -2 3 355.343 2.309 20 0 FEADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCSC1 ZINC000574986454 671290845 /nfs/dbraw/zinc/29/08/45/671290845.db2.gz KOTYQIJBTNRCJX-CQSZACIVSA-N -2 3 370.477 2.049 20 0 FEADHL COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2scnc2C(=O)[O-])c1 ZINC000566177761 675190705 /nfs/dbraw/zinc/19/07/05/675190705.db2.gz WLKUPBPEVUCLEG-UHFFFAOYSA-N -2 3 370.452 2.106 20 0 FEADHL Cc1csc(C2([N-]S(=O)(=O)c3scnc3C(=O)[O-])CCCC2)n1 ZINC000577606748 671607617 /nfs/dbraw/zinc/60/76/17/671607617.db2.gz JMQAZLFJXAAAIQ-UHFFFAOYSA-N -2 3 373.481 2.354 20 0 FEADHL Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)n1 ZINC000579360285 671730441 /nfs/dbraw/zinc/73/04/41/671730441.db2.gz FOIALHLOWOIQQP-UHFFFAOYSA-N -2 3 373.818 2.252 20 0 FEADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1[O-])C1CC1 ZINC000581489118 671902874 /nfs/dbraw/zinc/90/28/74/671902874.db2.gz MKGZKHKCHNOQJE-LBPRGKRZSA-N -2 3 355.334 2.458 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000581724018 671930149 /nfs/dbraw/zinc/93/01/49/671930149.db2.gz KIAZTBNKEQGDSX-ZFWWWQNUSA-N -2 3 365.407 2.485 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(F)ccc32)o1 ZINC000582298797 671987306 /nfs/dbraw/zinc/98/73/06/671987306.db2.gz DLSHMLBSYWMYJI-LLVKDONJSA-N -2 3 355.343 2.309 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cnc(Cl)c(Cl)c1 ZINC000132922751 672103624 /nfs/dbraw/zinc/10/36/24/672103624.db2.gz IDTVBGROJXLELN-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c[n-]1 ZINC000585730327 672227760 /nfs/dbraw/zinc/22/77/60/672227760.db2.gz KFJPKMSTHSSLPS-UHFFFAOYSA-N -2 3 360.395 2.244 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-][N-]C(=O)NCCc2cccs2)c1Cl ZINC000179982821 672407475 /nfs/dbraw/zinc/40/74/75/672407475.db2.gz VQSCRFMCEHANES-UHFFFAOYSA-N -2 3 373.887 2.445 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Cc1ccccc1 ZINC000681577124 672676212 /nfs/dbraw/zinc/67/62/12/672676212.db2.gz LVHLNXHHLHQGDC-LLVKDONJSA-N -2 3 373.352 2.326 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)o1 ZINC000545367096 673763826 /nfs/dbraw/zinc/76/38/26/673763826.db2.gz ASAVPLAQRGPNRX-UHFFFAOYSA-N -2 3 370.188 2.023 20 0 FEADHL O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000548206753 673934376 /nfs/dbraw/zinc/93/43/76/673934376.db2.gz CPVILFKFTKECQF-KCJUWKMLSA-N -2 3 368.238 2.152 20 0 FEADHL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)Cc2ccon2)c1 ZINC000548219570 673936871 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20 0 FEADHL O=C(c1cc([O-])cc(Br)c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000529250238 562366299 /nfs/dbraw/zinc/36/62/99/562366299.db2.gz KLAMYLNNUPLBEV-MRVPVSSYSA-N -2 3 368.187 2.263 20 0 FEADHL CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)CC(=O)[O-] ZINC000530488289 562413334 /nfs/dbraw/zinc/41/33/34/562413334.db2.gz DAYLLOFFNYQURX-LLVKDONJSA-N -2 3 357.815 2.261 20 0 FEADHL COCCOCCS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000532843172 562490292 /nfs/dbraw/zinc/49/02/92/562490292.db2.gz DIXJVVPRJOOABX-UHFFFAOYSA-N -2 3 372.226 2.096 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)nc1 ZINC000737360788 598890875 /nfs/dbraw/zinc/89/08/75/598890875.db2.gz BVSQHYOSUNAUSK-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1cnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000737445503 598891134 /nfs/dbraw/zinc/89/11/34/598891134.db2.gz IVSHXRPIFZYOFK-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL Cc1cnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000737445503 598891136 /nfs/dbraw/zinc/89/11/36/598891136.db2.gz IVSHXRPIFZYOFK-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cn1 ZINC000822259168 607258956 /nfs/dbraw/zinc/25/89/56/607258956.db2.gz OIPRZAWQQDSUNT-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cn1 ZINC000822259168 607258957 /nfs/dbraw/zinc/25/89/57/607258957.db2.gz OIPRZAWQQDSUNT-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=C([O-])C(F)(F)Oc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738206632 598435140 /nfs/dbraw/zinc/43/51/40/598435140.db2.gz FQBIRZJBONIWCE-ORCRQEGFSA-N -2 3 359.292 2.488 20 0 FEADHL O=C([O-])C(F)(F)Oc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738206632 598435141 /nfs/dbraw/zinc/43/51/41/598435141.db2.gz FQBIRZJBONIWCE-ORCRQEGFSA-N -2 3 359.292 2.488 20 0 FEADHL O=C([O-])c1cn(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c2ccccc12 ZINC000739359034 599749074 /nfs/dbraw/zinc/74/90/74/599749074.db2.gz HJLWQEJTJMLWBK-UHFFFAOYSA-N -2 3 362.349 2.158 20 0 FEADHL O=C([O-])c1cn(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC000739359034 599749075 /nfs/dbraw/zinc/74/90/75/599749075.db2.gz HJLWQEJTJMLWBK-UHFFFAOYSA-N -2 3 362.349 2.158 20 0 FEADHL CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1Cl ZINC000737357564 599767085 /nfs/dbraw/zinc/76/70/85/599767085.db2.gz CXZJYJLCYRXPKP-GFCCVEGCSA-N -2 3 372.830 2.212 20 0 FEADHL Cc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000738985651 600182248 /nfs/dbraw/zinc/18/22/48/600182248.db2.gz COLRZABPNOWQOJ-UHFFFAOYSA-N -2 3 361.745 2.301 20 0 FEADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000740235685 600678940 /nfs/dbraw/zinc/67/89/40/600678940.db2.gz JGKWKPIRXOMEBM-UHFFFAOYSA-N -3 3 357.290 2.162 20 0 FEADHL CC(C)COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccco1 ZINC000826900353 600777642 /nfs/dbraw/zinc/77/76/42/600777642.db2.gz ARDPMDKWVNBCSU-CYBMUJFWSA-N -2 3 370.427 2.009 20 0 FEADHL Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)cc1 ZINC000832939159 600780556 /nfs/dbraw/zinc/78/05/56/600780556.db2.gz MFPPJERSJTWUKK-ZDUSSCGKSA-N -2 3 364.423 2.234 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2F)cc1C(=O)[O-] ZINC000833027102 601222462 /nfs/dbraw/zinc/22/24/62/601222462.db2.gz BPCVTMRFBFNAEU-BXKDBHETSA-N -2 3 357.334 2.399 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCOc2ccccc2)c1F ZINC000327391819 601228964 /nfs/dbraw/zinc/22/89/64/601228964.db2.gz YIWBKSJOVNWZOC-UHFFFAOYSA-N -2 3 371.361 2.410 20 0 FEADHL C/C(=C\COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000825775298 601415288 /nfs/dbraw/zinc/41/52/88/601415288.db2.gz OIVMMFFTGHAXMN-JXMROGBWSA-N -2 3 373.402 2.090 20 0 FEADHL CCc1oc(C(=O)[O-])cc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000830369940 601420583 /nfs/dbraw/zinc/42/05/83/601420583.db2.gz VGYDAUQOYCAVGH-UHFFFAOYSA-N -2 3 358.394 2.204 20 0 FEADHL CN(C)c1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)ccn1 ZINC000830631705 601473448 /nfs/dbraw/zinc/47/34/48/601473448.db2.gz YMPPGFPTSAAVET-UHFFFAOYSA-N -2 3 355.803 2.300 20 0 FEADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000828672844 601479772 /nfs/dbraw/zinc/47/97/72/601479772.db2.gz WSDNEBQGURAOFN-JTQLQIEISA-N -2 3 356.263 2.432 20 0 FEADHL O=C([O-])c1cccc(-c2nc(Cn3cc(Cl)c(=O)[n-]c3=O)cs2)c1 ZINC000833326860 601577887 /nfs/dbraw/zinc/57/78/87/601577887.db2.gz WGJMRNKQQLQQMJ-UHFFFAOYSA-N -2 3 363.782 2.472 20 0 FEADHL CCc1oc(C(=O)[O-])cc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000830369376 601592982 /nfs/dbraw/zinc/59/29/82/601592982.db2.gz ONCSQMBKYDPVGZ-UHFFFAOYSA-N -2 3 358.394 2.204 20 0 FEADHL O=C([O-])[C@@H](c1ccccc1F)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000833173913 601593306 /nfs/dbraw/zinc/59/33/06/601593306.db2.gz JKOYKRJBKXGZAN-QGZVFWFLSA-N -2 3 358.369 2.115 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc(C(=O)[O-])c1F ZINC000763280329 601984203 /nfs/dbraw/zinc/98/42/03/601984203.db2.gz GHNRBNIFHMJDFQ-UHFFFAOYSA-N -3 3 371.317 2.470 20 0 FEADHL CC(C)[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000081043127 602157600 /nfs/dbraw/zinc/15/76/00/602157600.db2.gz PDRWCIIQISXXSJ-SSDOTTSWSA-N -2 3 354.222 2.311 20 0 FEADHL CCc1cc(=O)[n-]c(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)n1 ZINC000830224162 602235709 /nfs/dbraw/zinc/23/57/09/602235709.db2.gz GQNLWTIZCZMLQQ-CYBMUJFWSA-N -2 3 356.426 2.154 20 0 FEADHL O=C([O-])NCCOc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000740669339 602278283 /nfs/dbraw/zinc/27/82/83/602278283.db2.gz WSSHIHGWERZMBZ-WJDWOHSUSA-N -2 3 367.361 2.056 20 0 FEADHL O=C([O-])N1[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@H]2CCCC[C@@H]21 ZINC000740458582 602470101 /nfs/dbraw/zinc/47/01/01/602470101.db2.gz FOWHEHATUXYTAO-XBFCOCLRSA-N -2 3 356.386 2.116 20 0 FEADHL O=C([O-])N1CCC([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000738640822 602538543 /nfs/dbraw/zinc/53/85/43/602538543.db2.gz QTRDJTFJLWKXIE-UHFFFAOYSA-N -2 3 367.452 2.231 20 0 FEADHL O=C([O-])N[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000740540245 603020961 /nfs/dbraw/zinc/02/09/61/603020961.db2.gz ZRIOJLKGXLEIJL-INIZCTEOSA-N -2 3 351.362 2.267 20 0 FEADHL O=C([O-])NC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000740610718 603068490 /nfs/dbraw/zinc/06/84/90/603068490.db2.gz BBKKSAGHVDCVRS-SNVBAGLBSA-N -2 3 353.227 2.318 20 0 FEADHL O=C([O-])N[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000832140733 603142529 /nfs/dbraw/zinc/14/25/29/603142529.db2.gz NVCQYGXBHPREFA-CYBMUJFWSA-N -2 3 374.340 2.391 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(=O)[O-])cc2)ccc1F ZINC000828579392 603795066 /nfs/dbraw/zinc/79/50/66/603795066.db2.gz LMFKIAQRMHZDSI-UHFFFAOYSA-N -2 3 367.358 2.076 20 0 FEADHL Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1)c2=O ZINC000830438849 604298024 /nfs/dbraw/zinc/29/80/24/604298024.db2.gz MFKLJWZJCGUNBV-VXGBXAGGSA-N -2 3 358.398 2.152 20 0 FEADHL O=C([O-])CCCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000833226630 604353446 /nfs/dbraw/zinc/35/34/46/604353446.db2.gz MDCBXFORMSZIFG-UHFFFAOYSA-N -2 3 370.405 2.016 20 0 FEADHL CCc1cccnc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825728599 607695161 /nfs/dbraw/zinc/69/51/61/607695161.db2.gz RPZVLXNULHOJAB-UHFFFAOYSA-N -2 3 364.818 2.278 20 0 FEADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc(F)ccc2Br)CCC1 ZINC000833206228 604487951 /nfs/dbraw/zinc/48/79/51/604487951.db2.gz QULOMKILGBIFQW-UHFFFAOYSA-N -2 3 366.208 2.264 20 0 FEADHL Cc1cc(=O)[n-]c(CSCC(=O)NCc2ccc(NC(=O)[O-])cc2)n1 ZINC000832898678 604805154 /nfs/dbraw/zinc/80/51/54/604805154.db2.gz ATBRDNUIZNIQHB-UHFFFAOYSA-N -2 3 362.411 2.130 20 0 FEADHL Cc1nc(C)c(CC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(=O)[n-]1 ZINC000833754733 604876504 /nfs/dbraw/zinc/87/65/04/604876504.db2.gz FLQIJLDSJLFDTA-CQSZACIVSA-N -2 3 367.764 2.076 20 0 FEADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(Cl)c1 ZINC000833700634 605008799 /nfs/dbraw/zinc/00/87/99/605008799.db2.gz PDFOHIDJNBHCIA-UHFFFAOYSA-N -2 3 374.827 2.260 20 0 FEADHL Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])c(C)c1 ZINC000571043493 605026034 /nfs/dbraw/zinc/02/60/34/605026034.db2.gz LRJNZQMSKSXNBN-LLVKDONJSA-N -2 3 354.453 2.368 20 0 FEADHL CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833480691 605038108 /nfs/dbraw/zinc/03/81/08/605038108.db2.gz MILICZXJPBFQOO-HNNXBMFYSA-N -2 3 365.398 2.129 20 0 FEADHL CC(C)(CO)[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000833461784 605051838 /nfs/dbraw/zinc/05/18/38/605051838.db2.gz KXLOIUQCYZBCKU-ZDUSSCGKSA-N -2 3 367.423 2.058 20 0 FEADHL CC(C)(CNC(=O)[O-])NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000823986550 605663263 /nfs/dbraw/zinc/66/32/63/605663263.db2.gz SNBVQHLYNIAOCL-UHFFFAOYSA-N -2 3 360.208 2.000 20 0 FEADHL Cc1cncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822399254 606202690 /nfs/dbraw/zinc/20/26/90/606202690.db2.gz DJQFHMBJIKBNQT-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1cncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822399254 606202691 /nfs/dbraw/zinc/20/26/91/606202691.db2.gz DJQFHMBJIKBNQT-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822259464 606214832 /nfs/dbraw/zinc/21/48/32/606214832.db2.gz XNFPJTRXFZEJIC-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822259464 606214834 /nfs/dbraw/zinc/21/48/34/606214834.db2.gz XNFPJTRXFZEJIC-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cc1C ZINC000822267284 606752241 /nfs/dbraw/zinc/75/22/41/606752241.db2.gz QUFWJPGZFCECRZ-UHFFFAOYSA-N -2 3 372.454 2.350 20 0 FEADHL Cc1ccc(F)cc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822240950 606864773 /nfs/dbraw/zinc/86/47/73/606864773.db2.gz GEZBSTJYOIXXKU-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1ccc(F)cc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822240950 606864774 /nfs/dbraw/zinc/86/47/74/606864774.db2.gz GEZBSTJYOIXXKU-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL O=S(=O)([N-]CCC1CCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572447 606885569 /nfs/dbraw/zinc/88/55/69/606885569.db2.gz HQFXKHRYKZHOFX-UHFFFAOYSA-N -2 3 357.386 2.004 20 0 FEADHL CCCC1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821033699 607127534 /nfs/dbraw/zinc/12/75/34/607127534.db2.gz DQSROVUIXMLDDG-UHFFFAOYSA-N -2 3 357.386 2.004 20 0 FEADHL O=C([O-])CCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826461078 607833657 /nfs/dbraw/zinc/83/36/57/607833657.db2.gz FHYKEMXUQLPPDC-UHFFFAOYSA-N -2 3 353.338 2.462 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000826330207 607846451 /nfs/dbraw/zinc/84/64/51/607846451.db2.gz JSHAWESNGQDIHH-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000826330207 607846452 /nfs/dbraw/zinc/84/64/52/607846452.db2.gz JSHAWESNGQDIHH-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL CCC[C@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)C(C)C ZINC000825225072 608185560 /nfs/dbraw/zinc/18/55/60/608185560.db2.gz KNJMMVZNOWANRH-ZDUSSCGKSA-N -2 3 365.459 2.052 20 0 FEADHL CCC[C@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(C)C ZINC000825225072 608185561 /nfs/dbraw/zinc/18/55/61/608185561.db2.gz KNJMMVZNOWANRH-ZDUSSCGKSA-N -2 3 365.459 2.052 20 0 FEADHL CC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825052135 609146594 /nfs/dbraw/zinc/14/65/94/609146594.db2.gz UYFHJCDFENAJMT-BDAKNGLRSA-N -2 3 371.850 2.007 20 0 FEADHL CC[C@@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825052135 609146595 /nfs/dbraw/zinc/14/65/95/609146595.db2.gz UYFHJCDFENAJMT-BDAKNGLRSA-N -2 3 371.850 2.007 20 0 FEADHL O=S(=O)([N-]c1ncccc1Cl)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826493417 609339055 /nfs/dbraw/zinc/33/90/55/609339055.db2.gz JQLZKORRVKTVOR-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL Cc1onc(CC(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1-c1nnn[n-]1 ZINC000826348659 609469190 /nfs/dbraw/zinc/46/91/90/609469190.db2.gz XOLNOBHUGIEZNF-UHFFFAOYSA-N -2 3 369.168 2.357 20 0 FEADHL Cc1onc(CC(=O)Nc2cc(Cl)cc(Cl)c2[O-])c1-c1nn[n-]n1 ZINC000826348659 609469192 /nfs/dbraw/zinc/46/91/92/609469192.db2.gz XOLNOBHUGIEZNF-UHFFFAOYSA-N -2 3 369.168 2.357 20 0 FEADHL O=C(CCOc1ccccc1)[N-][N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000060838556 670389726 /nfs/dbraw/zinc/38/97/26/670389726.db2.gz SAVILMCWMJGWMD-UHFFFAOYSA-N -2 3 372.805 2.258 20 0 FEADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000578424368 671664201 /nfs/dbraw/zinc/66/42/01/671664201.db2.gz OHAAMODCTLRRSS-APPZFPTMSA-N -2 3 355.309 2.376 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000581129303 671866225 /nfs/dbraw/zinc/86/62/25/671866225.db2.gz PRCAXVUVGHRLAD-KBPBESRZSA-N -2 3 351.380 2.176 20 0 FEADHL CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCO1 ZINC000581129396 671866520 /nfs/dbraw/zinc/86/65/20/671866520.db2.gz UFKQUVVWOHGHME-MNOVXSKESA-N -2 3 362.473 2.103 20 0 FEADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000581760933 671935205 /nfs/dbraw/zinc/93/52/05/671935205.db2.gz LCKHZCUAUWPXKL-PSASIEDQSA-N -2 3 354.350 2.268 20 0 FEADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000581962737 671953787 /nfs/dbraw/zinc/95/37/87/671953787.db2.gz BFUCQHNJUBQXTA-UHFFFAOYSA-N -2 3 354.197 2.120 20 0 FEADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)n1 ZINC000121814560 671957963 /nfs/dbraw/zinc/95/79/63/671957963.db2.gz ZRKWPQXLVMAVMF-UHFFFAOYSA-N -2 3 360.798 2.200 20 0 FEADHL COC(=O)CCS(=O)(=O)[N-]c1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000585741854 672229361 /nfs/dbraw/zinc/22/93/61/672229361.db2.gz GRQQCPVOIXYTSD-UHFFFAOYSA-N -2 3 369.420 2.418 20 0 FEADHL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1[O-] ZINC000586750575 672239715 /nfs/dbraw/zinc/23/97/15/672239715.db2.gz DLCOETJYTOSYSV-SNVBAGLBSA-N -2 3 363.819 2.143 20 0 FEADHL CCCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000592429125 672801011 /nfs/dbraw/zinc/80/10/11/672801011.db2.gz ZVYHGHGAOQLEKS-UHFFFAOYSA-N -2 3 360.391 2.160 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C)c2)c1 ZINC000539397887 673488433 /nfs/dbraw/zinc/48/84/33/673488433.db2.gz UBCKCNWJJQKAGW-UHFFFAOYSA-N -2 3 364.423 2.212 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CCCc1ccccc1)C(=O)[O-] ZINC000547614122 673874471 /nfs/dbraw/zinc/87/44/71/673874471.db2.gz GGMKVNMFCUYVKR-AWEZNQCLSA-N -2 3 352.412 2.046 20 0 FEADHL O=C([O-])[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000547874311 673895549 /nfs/dbraw/zinc/89/55/49/673895549.db2.gz WXFOBEVWALAULP-LDYMZIIASA-N -2 3 368.238 2.152 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])s1 ZINC000547875835 673895907 /nfs/dbraw/zinc/89/59/07/673895907.db2.gz QZWVTQBHZYXIMB-LLVKDONJSA-N -2 3 374.871 2.327 20 0 FEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)n1 ZINC000547875983 673895948 /nfs/dbraw/zinc/89/59/48/673895948.db2.gz GOPFTOPWFUUBOC-UHFFFAOYSA-N -2 3 364.807 2.253 20 0 FEADHL COC(=O)c1ccccc1CS(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000548193476 673932414 /nfs/dbraw/zinc/93/24/14/673932414.db2.gz RKBXPHRJIOITAW-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548215304 673935928 /nfs/dbraw/zinc/93/59/28/673935928.db2.gz CQPBHMOCJDKTTC-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Cc1cccnc1 ZINC000548228320 673938460 /nfs/dbraw/zinc/93/84/60/673938460.db2.gz BXGUFFHRXVJDEO-NSHDSACASA-N -2 3 372.805 2.096 20 0 FEADHL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]c1c(C)ccc(F)c1C(=O)[O-] ZINC000548534138 673967136 /nfs/dbraw/zinc/96/71/36/673967136.db2.gz IGDDTVUVGGWKRI-ZYHUDNBSSA-N -2 3 373.402 2.306 20 0 FEADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-])C1CC1 ZINC000548991317 674010231 /nfs/dbraw/zinc/01/02/31/674010231.db2.gz XQTAJRJNZSGDOL-QUBYGPBYSA-N -2 3 368.274 2.288 20 0 FEADHL COc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000607881630 675876101 /nfs/dbraw/zinc/87/61/01/675876101.db2.gz XJFJKVOECNOTNG-UHFFFAOYSA-N -2 3 370.452 2.176 20 0 FEADHL CCO[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)CCC(=O)[O-])c1)C1CC1 ZINC000629291014 676841441 /nfs/dbraw/zinc/84/14/41/676841441.db2.gz XCDYADFRCFIVET-INIZCTEOSA-N -2 3 369.439 2.291 20 0 FEADHL COc1ccc(F)cc1S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F ZINC000650419779 677372593 /nfs/dbraw/zinc/37/25/93/677372593.db2.gz VYXJWGDOEOMHDW-MRVPVSSYSA-N -2 3 373.324 2.156 20 0 FEADHL CCC(CC)(C(=O)[O-])C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000653302255 677523920 /nfs/dbraw/zinc/52/39/20/677523920.db2.gz MGHXUDFJPNVDMZ-UHFFFAOYSA-N -2 3 372.443 2.286 20 0 FEADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-])C1CC1 ZINC000656168114 677718823 /nfs/dbraw/zinc/71/88/23/677718823.db2.gz CXOUPWDTHALWJV-NWDGAFQWSA-N -2 3 365.810 2.026 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000663421965 678734787 /nfs/dbraw/zinc/73/47/87/678734787.db2.gz FILZEWQAJWSBOP-UHFFFAOYSA-N -2 3 373.814 2.435 20 0 FEADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C12CCCC2 ZINC000663421987 678734794 /nfs/dbraw/zinc/73/47/94/678734794.db2.gz AECJCRPNUFQJAR-VXGBXAGGSA-N -2 3 357.428 2.302 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]Cc2cc(Cl)cc3c2OCC3)oc1C(=O)[O-] ZINC000663427180 678736696 /nfs/dbraw/zinc/73/66/96/678736696.db2.gz RKGHMOXKIVEDPH-UHFFFAOYSA-N -2 3 371.798 2.353 20 0 FEADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000672787637 679393515 /nfs/dbraw/zinc/39/35/15/679393515.db2.gz AYSCXXKQCKKEHB-JOYOIKCWSA-N -2 3 352.334 2.022 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@](C)(C(=O)[O-])C2CC2)s1 ZINC000832859083 680183064 /nfs/dbraw/zinc/18/30/64/680183064.db2.gz TYLVFIDHFHIPNQ-NSHDSACASA-N -2 3 368.274 2.351 20 0 FEADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834825585 680273739 /nfs/dbraw/zinc/27/37/39/680273739.db2.gz MSUIVLYFJGOFJP-NSHDSACASA-N -2 3 352.740 2.365 20 0 FEADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844787858 681082377 /nfs/dbraw/zinc/08/23/77/681082377.db2.gz ALPBYEABOFAEDJ-ZWNOBZJWSA-N -2 3 350.799 2.186 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)c(Cl)n1 ZINC000844802139 681083863 /nfs/dbraw/zinc/08/38/63/681083863.db2.gz WJFYIJJHRRLWDE-QMMMGPOBSA-N -2 3 374.768 2.365 20 0 FEADHL COCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000844892213 681090387 /nfs/dbraw/zinc/09/03/87/681090387.db2.gz FIYQYSRFECACQP-UHFFFAOYSA-N -2 3 356.227 2.397 20 0 FEADHL COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC000775673328 681323046 /nfs/dbraw/zinc/32/30/46/681323046.db2.gz QWTQFVQAYOPCOL-UHFFFAOYSA-N -2 3 366.395 2.404 20 0 FEADHL O=C([O-])[C@H](CC1CCOCC1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000776600972 681414027 /nfs/dbraw/zinc/41/40/27/681414027.db2.gz LGJCXHKJSKJRLM-NSHDSACASA-N -2 3 365.810 2.027 20 0 FEADHL Cc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000776623500 681419115 /nfs/dbraw/zinc/41/91/15/681419115.db2.gz JAPLYOVQIZOMRW-ZDUSSCGKSA-N -2 3 368.842 2.265 20 0 FEADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776634014 681420454 /nfs/dbraw/zinc/42/04/54/681420454.db2.gz GUTKTVOXHPORBC-PRHODGIISA-N -2 3 353.227 2.310 20 0 FEADHL Cc1cnc(C(=O)[N-]n2cnc3sc4c(c3c2=O)CCCC4)c([O-])c1 ZINC000778327216 681597891 /nfs/dbraw/zinc/59/78/91/681597891.db2.gz UJBCRRKEYJYHDE-UHFFFAOYSA-N -2 3 356.407 2.130 20 0 FEADHL Cc1nc([C@H](C)NC(=O)c2nnc3ccccc3c2[O-])sc1C(=O)[O-] ZINC000779443843 681716278 /nfs/dbraw/zinc/71/62/78/681716278.db2.gz PSLWJSKCWLZNNC-QMMMGPOBSA-N -2 3 358.379 2.290 20 0 FEADHL O=S(=O)(C[C@@H]1CCCOC1)[N-]c1cc(Br)ccc1[O-] ZINC000788138264 682506656 /nfs/dbraw/zinc/50/66/56/682506656.db2.gz AVMRFJCEDMGRMQ-SECBINFHSA-N -2 3 350.234 2.323 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000790591103 682686808 /nfs/dbraw/zinc/68/68/08/682686808.db2.gz RJZLFQVTPCIVNS-ZETCQYMHSA-N -2 3 370.652 2.492 20 0 FEADHL C[C@@H](CC[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000790591868 682687311 /nfs/dbraw/zinc/68/73/11/682687311.db2.gz UUMFIOLHYOHSMA-ZETCQYMHSA-N -2 3 370.652 2.492 20 0 FEADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000926484582 683131650 /nfs/dbraw/zinc/13/16/50/683131650.db2.gz AGESUYNIGGAGJU-SNVBAGLBSA-N -2 3 352.437 2.342 20 0 FEADHL O=C([O-])[C@]12C[C@H]1CCCN2C(=O)NCc1ccc([O-])c(Br)c1 ZINC000929015369 683533032 /nfs/dbraw/zinc/53/30/32/683533032.db2.gz ALYQHFAQLMGTQY-BMIGLBTASA-N -2 3 369.215 2.303 20 0 FEADHL CC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000863411521 683719139 /nfs/dbraw/zinc/71/91/39/683719139.db2.gz ZXPZJLCTSAZBAA-SECBINFHSA-N -2 3 373.736 2.069 20 0 FEADHL COc1c(F)cccc1S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000864438981 683852878 /nfs/dbraw/zinc/85/28/78/683852878.db2.gz FRALGDSBPAEHSS-MRVPVSSYSA-N -2 3 373.324 2.156 20 0 FEADHL CCC1([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CC1 ZINC000871969437 684898363 /nfs/dbraw/zinc/89/83/63/684898363.db2.gz WHPXRTVDQFZRNU-UHFFFAOYSA-N -2 3 354.247 2.430 20 0 FEADHL O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1cc([O-])cc(Br)c1)C2 ZINC000910418502 685051330 /nfs/dbraw/zinc/05/13/30/685051330.db2.gz NOICCJQFGLTKLM-BONVTDFDSA-N -2 3 354.200 2.482 20 0 FEADHL O=C(NCCCc1c[n-][nH]c1=O)c1cc(Cl)cc(Br)c1[O-] ZINC000898730973 690239812 /nfs/dbraw/zinc/23/98/12/690239812.db2.gz APEHCQYHKJZTED-ZETCQYMHSA-N -2 3 374.622 2.050 20 0 FEADHL CSC1CCC(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000903038033 690836660 /nfs/dbraw/zinc/83/66/60/690836660.db2.gz FJKCFSUOXOUYTP-UHFFFAOYSA-N -2 3 350.487 2.041 20 0 FEADHL C[C@@]1(C(=O)[O-])C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000906011310 691212989 /nfs/dbraw/zinc/21/29/89/691212989.db2.gz RVAWSKYRIRQTGT-SDBXPKJASA-N -2 3 368.238 2.294 20 0 FEADHL C[C@](CCF)(NC(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-] ZINC000909158606 691787805 /nfs/dbraw/zinc/78/78/05/691787805.db2.gz CNWJIDFNESBROF-CYBMUJFWSA-N -2 3 363.183 2.157 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCSC2)c(Cl)cc1Cl ZINC000231346217 548763089 /nfs/dbraw/zinc/76/30/89/548763089.db2.gz KCXWZFCENGMLGW-LURJTMIESA-N -2 3 356.252 2.475 20 0 FEADHL COCc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000032591314 539944160 /nfs/dbraw/zinc/94/41/60/539944160.db2.gz PKSROXRGAZMNNB-UHFFFAOYSA-N -2 3 351.380 2.097 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Oc1ccccc1 ZINC000800922075 674089111 /nfs/dbraw/zinc/08/91/11/674089111.db2.gz LUTFRGNXVLPWOL-SNVBAGLBSA-N -2 3 361.828 2.212 20 0 FEADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O ZINC000055586726 540661269 /nfs/dbraw/zinc/66/12/69/540661269.db2.gz LEROLFGFGDLYOM-UHFFFAOYSA-N -2 3 358.416 2.306 20 0 FEADHL COCC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000057289327 540785998 /nfs/dbraw/zinc/78/59/98/540785998.db2.gz FVAPGEHRRSTPRM-UHFFFAOYSA-N -2 3 370.814 2.431 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1F ZINC000123635031 543773337 /nfs/dbraw/zinc/77/33/37/543773337.db2.gz UZCWKHUFJLEUCR-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)cc1F ZINC000123635031 543773339 /nfs/dbraw/zinc/77/33/39/543773339.db2.gz UZCWKHUFJLEUCR-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL CC(C)OCCS(=O)(=O)[N-]c1cc(Br)ccc1C(=O)[O-] ZINC000127572402 544001832 /nfs/dbraw/zinc/00/18/32/544001832.db2.gz FBOQLTCDOKOHPO-UHFFFAOYSA-N -2 3 366.233 2.314 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-])sc1Br ZINC000133176343 544258913 /nfs/dbraw/zinc/25/89/13/544258913.db2.gz QOKLVRURZLUXMH-RQJHMYQMSA-N -2 3 356.263 2.207 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1F ZINC000135325934 544342088 /nfs/dbraw/zinc/34/20/88/544342088.db2.gz WSHPCGDUDWBXQY-UHFFFAOYSA-N -2 3 362.379 2.137 20 0 FEADHL CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1cccs1 ZINC000237180256 328507461 /nfs/dbraw/zinc/50/74/61/328507461.db2.gz JLGIFVSSXHNNPY-JTQLQIEISA-N -2 3 360.482 2.089 20 0 FEADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161814439 327009992 /nfs/dbraw/zinc/00/99/92/327009992.db2.gz DSHQKMOUNHCQTF-VIFPVBQESA-N -2 3 368.224 2.223 20 0 FEADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)CCC2)n1 ZINC000273620910 329879438 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FEADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)[N-]OCCC(F)(F)F ZINC000275250638 330026598 /nfs/dbraw/zinc/02/65/98/330026598.db2.gz VWTYCEKFTWMVBL-UHFFFAOYSA-N -2 3 356.304 2.095 20 0 FEADHL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cn1 ZINC000478705489 561173292 /nfs/dbraw/zinc/17/32/92/561173292.db2.gz RUKXKTWTRGLLCB-VIFPVBQESA-N -3 3 351.384 2.195 20 0 FEADHL O=S(=O)([N-]Cc1n[n-]c(C(F)(F)F)n1)c1c(F)cccc1Cl ZINC000478900640 561177518 /nfs/dbraw/zinc/17/75/18/561177518.db2.gz UNYIUHWVINMEDR-UHFFFAOYSA-N -2 3 358.704 2.095 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1cccc2c1N=S=N2 ZINC000164337913 546150254 /nfs/dbraw/zinc/15/02/54/546150254.db2.gz UWHOCYQANYIHRO-UHFFFAOYSA-N -2 3 373.423 2.318 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1cccc2c1N=S=N2 ZINC000164337913 546150258 /nfs/dbraw/zinc/15/02/58/546150258.db2.gz UWHOCYQANYIHRO-UHFFFAOYSA-N -2 3 373.423 2.318 20 0 FEADHL Cc1csc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)c1Cl ZINC000479619581 561193463 /nfs/dbraw/zinc/19/34/63/561193463.db2.gz OKGDUTVXISZMQC-UHFFFAOYSA-N -2 3 352.850 2.185 20 0 FEADHL Cc1cccc2c([O-])c(C(=O)N=c3nc(-c4cccnc4)[n-]s3)cnc12 ZINC000483255151 561271908 /nfs/dbraw/zinc/27/19/08/561271908.db2.gz ONXNFWJQWHRGII-UHFFFAOYSA-N -2 3 363.402 2.424 20 0 FEADHL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000484571752 561300354 /nfs/dbraw/zinc/30/03/54/561300354.db2.gz MGSRZTDLJRXGBY-UHFFFAOYSA-N -2 3 366.370 2.027 20 0 FEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@H](C)C2)c1F ZINC000184915989 547899390 /nfs/dbraw/zinc/89/93/90/547899390.db2.gz YRHFMRRGMDQOCY-AAEUAGOBSA-N -2 3 372.462 2.231 20 0 FEADHL CCc1cnc(CC[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)s1 ZINC000185092724 547931483 /nfs/dbraw/zinc/93/14/83/547931483.db2.gz DPKWDFIFWKXVLE-UHFFFAOYSA-N -2 3 372.443 2.372 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(Cl)c1 ZINC000486860055 561358344 /nfs/dbraw/zinc/35/83/44/561358344.db2.gz FRILACRHKUGFRI-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(Cl)c1 ZINC000486860055 561358345 /nfs/dbraw/zinc/35/83/45/561358345.db2.gz FRILACRHKUGFRI-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000211119870 548666997 /nfs/dbraw/zinc/66/69/97/548666997.db2.gz OFQAHIQEZVMBJC-SNVBAGLBSA-N -2 3 356.263 2.290 20 0 FEADHL Cc1cc(C(=O)Nc2nc3ccc(F)cc3[nH]2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000488925519 561399754 /nfs/dbraw/zinc/39/97/54/561399754.db2.gz LBQKKBUPDXZLAR-UHFFFAOYSA-N -2 3 354.301 2.012 20 0 FEADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)cc1Cl ZINC000261651900 549739171 /nfs/dbraw/zinc/73/91/71/549739171.db2.gz HRAMEJCLYCZSPH-LLVKDONJSA-N -2 3 356.227 2.390 20 0 FEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000274949194 550566926 /nfs/dbraw/zinc/56/69/26/550566926.db2.gz SHGOAEZKFQIBOB-UHFFFAOYSA-N -2 3 366.395 2.006 20 0 FEADHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)C1 ZINC000277362987 550661480 /nfs/dbraw/zinc/66/14/80/550661480.db2.gz YOZRRSFEZLFGGJ-APPZFPTMSA-N -2 3 353.293 2.152 20 0 FEADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000281923358 551158375 /nfs/dbraw/zinc/15/83/75/551158375.db2.gz QMQKUOMTUXWXSM-SSDOTTSWSA-N -2 3 354.197 2.120 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000282918285 551285225 /nfs/dbraw/zinc/28/52/25/551285225.db2.gz HAFYRRHGQZQGLP-UHFFFAOYSA-N -2 3 370.652 2.492 20 0 FEADHL Cc1ccc(F)c(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000284937655 551671854 /nfs/dbraw/zinc/67/18/54/551671854.db2.gz CQBTWGMMTOIOKR-VIFPVBQESA-N -2 3 357.325 2.456 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C)ccc1[O-] ZINC000499289800 561547888 /nfs/dbraw/zinc/54/78/88/561547888.db2.gz ZPYVKWNRQFAQJJ-UHFFFAOYSA-N -2 3 366.443 2.312 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CCSc2ccccc2)C(=O)[O-])s1 ZINC000290700542 552522489 /nfs/dbraw/zinc/52/24/89/552522489.db2.gz SECSBGVYSONWGP-LBPRGKRZSA-N -2 3 372.493 2.365 20 0 FEADHL CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)o1 ZINC000292007372 552684103 /nfs/dbraw/zinc/68/41/03/552684103.db2.gz YHSDYUXQWBQZDT-UHFFFAOYSA-N -2 3 356.375 2.251 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CCC(=O)[O-])oc1C ZINC000296821700 553216257 /nfs/dbraw/zinc/21/62/57/553216257.db2.gz AOUVGWXOBISYQK-AAEUAGOBSA-N -2 3 373.427 2.077 20 0 FEADHL O=C([O-])CCCC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000296939065 553232369 /nfs/dbraw/zinc/23/23/69/553232369.db2.gz MEFUZIOQAOLBAV-UHFFFAOYSA-N -2 3 371.640 2.031 20 0 FEADHL CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000320384722 553764745 /nfs/dbraw/zinc/76/47/45/553764745.db2.gz HUIXTOIDOXUHSW-UHFFFAOYSA-N -2 3 358.372 2.345 20 0 FEADHL O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000322186376 553767779 /nfs/dbraw/zinc/76/77/79/553767779.db2.gz BCPLVTODAKXEQQ-CYBMUJFWSA-N -2 3 357.790 2.453 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(OC)c2)cc1C(=O)[O-] ZINC000326108596 553779199 /nfs/dbraw/zinc/77/91/99/553779199.db2.gz FXVYKDTYRWFCLJ-UHFFFAOYSA-N -2 3 355.343 2.342 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cc1C(=O)[O-] ZINC000507642065 561736421 /nfs/dbraw/zinc/73/64/21/561736421.db2.gz AELRXBHOGQOGCM-UHFFFAOYSA-N -2 3 365.407 2.255 20 0 FEADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)c1 ZINC000365833623 555678719 /nfs/dbraw/zinc/67/87/19/555678719.db2.gz NZHYIAJGPSNYEX-UHFFFAOYSA-N -2 3 362.342 2.110 20 0 FEADHL O=C(N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)c1ccc([O-])cc1F ZINC000368502486 556328649 /nfs/dbraw/zinc/32/86/49/556328649.db2.gz MRSDTIOORCBZII-CYBMUJFWSA-N -2 3 365.727 2.356 20 0 FEADHL O=C(N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1)c1ccc([O-])cc1F ZINC000368502486 556328651 /nfs/dbraw/zinc/32/86/51/556328651.db2.gz MRSDTIOORCBZII-CYBMUJFWSA-N -2 3 365.727 2.356 20 0 FEADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c3cccc(F)c3)cn21 ZINC000515519876 562013778 /nfs/dbraw/zinc/01/37/78/562013778.db2.gz ZRESPAJRLZKIEW-MEBBXXQBSA-N -2 3 367.402 2.024 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000368797804 556415396 /nfs/dbraw/zinc/41/53/96/556415396.db2.gz CUTJYNJZAOQQRB-DOMZBBRYSA-N -2 3 371.430 2.215 20 0 FEADHL CCc1noc(CC)c1C[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000516057196 562029342 /nfs/dbraw/zinc/02/93/42/562029342.db2.gz ZMADJPZCZUPXLL-UHFFFAOYSA-N -2 3 358.441 2.346 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3c2OCCC3)ccc1[O-] ZINC000371979794 557345761 /nfs/dbraw/zinc/34/57/61/557345761.db2.gz TZDPPJTWOCHUHI-UHFFFAOYSA-N -2 3 362.407 2.476 20 0 FEADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]1CCOC2(CCC2)C1 ZINC000372260197 557423497 /nfs/dbraw/zinc/42/34/97/557423497.db2.gz GXXAQHPJBLHLQB-OCCSQVGLSA-N -2 3 371.430 2.215 20 0 FEADHL COc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000519096307 562124763 /nfs/dbraw/zinc/12/47/63/562124763.db2.gz QYIVALMXMYZOMM-ZDUSSCGKSA-N -2 3 369.464 2.287 20 0 FEADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000523562032 562215230 /nfs/dbraw/zinc/21/52/30/562215230.db2.gz OHDNBWKHGRNKJJ-MRXNPFEDSA-N -2 3 367.405 2.213 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCc2ncccc2C)c1 ZINC000414327316 559156473 /nfs/dbraw/zinc/15/64/73/559156473.db2.gz GAEDNAVJYYWRQP-UHFFFAOYSA-N -2 3 352.387 2.057 20 0 FEADHL CC(C)[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000417434032 559362152 /nfs/dbraw/zinc/36/21/52/559362152.db2.gz WKUIITQAKGRHIE-JTQLQIEISA-N -2 3 370.652 2.490 20 0 FEADHL CC[C@H](CS(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1)OC ZINC000421161381 559527791 /nfs/dbraw/zinc/52/77/91/559527791.db2.gz XBDRNAGXFJOXOX-SECBINFHSA-N -2 3 366.233 2.314 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1C ZINC000427333121 559753598 /nfs/dbraw/zinc/75/35/98/559753598.db2.gz YZVHLKQYUCDOMY-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)c(C)c1C(=O)[O-] ZINC000432635526 559862300 /nfs/dbraw/zinc/86/23/00/559862300.db2.gz UNLVJZFPTADVMZ-UHFFFAOYSA-N -2 3 374.418 2.321 20 0 FEADHL C[C@@]1(c2cccc(NC(=O)c3cc(Cl)ccc3[O-])c2)NC(=O)[N-]C1=O ZINC000436509573 559943658 /nfs/dbraw/zinc/94/36/58/559943658.db2.gz DGJJYDVPHOIRIA-KRWDZBQOSA-N -2 3 359.769 2.353 20 0 FEADHL CC(C)(NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1nnn[n-]1 ZINC000436580230 559945822 /nfs/dbraw/zinc/94/58/22/559945822.db2.gz AXXNZFFDFKBNOE-UHFFFAOYSA-N -2 3 351.410 2.356 20 0 FEADHL CC(C)(NC(=O)c1cc(CCc2ccccc2)ccc1[O-])c1nn[n-]n1 ZINC000436580230 559945823 /nfs/dbraw/zinc/94/58/23/559945823.db2.gz AXXNZFFDFKBNOE-UHFFFAOYSA-N -2 3 351.410 2.356 20 0 FEADHL Cn1c(=O)n(C)c2cc(NC(=O)c3cc(F)c([O-])c(Cl)c3)c([O-])cc21 ZINC000436615652 559946701 /nfs/dbraw/zinc/94/67/01/559946701.db2.gz BDPVBPNSPCLYTP-UHFFFAOYSA-N -2 3 365.748 2.333 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)ccc1[O-] ZINC000436756960 559951072 /nfs/dbraw/zinc/95/10/72/559951072.db2.gz TYMITPDPXKPSGG-UHFFFAOYSA-N -2 3 363.391 2.491 20 0 FEADHL COc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1[N-]S(C)(=O)=O ZINC000436898288 559955643 /nfs/dbraw/zinc/95/56/43/559955643.db2.gz GBDGRRWQMQLDFL-UHFFFAOYSA-N -2 3 366.395 2.033 20 0 FEADHL O=C(NC[C@@H]1CSCCN1C(=O)c1ccccc1[O-])c1ccccc1[O-] ZINC000436907832 559956054 /nfs/dbraw/zinc/95/60/54/559956054.db2.gz TYZWEMNTJVMMDT-CYBMUJFWSA-N -2 3 372.446 2.085 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1 ZINC000436994937 559958990 /nfs/dbraw/zinc/95/89/90/559958990.db2.gz PESRLXNQPAYEBP-UHFFFAOYSA-N -4 3 371.754 2.243 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)CCC1 ZINC000461347322 560767662 /nfs/dbraw/zinc/76/76/62/560767662.db2.gz QCCAWRNEANGQJE-LBPRGKRZSA-N -2 3 369.439 2.035 20 0 FEADHL Cc1nc2ccc(NC(=O)c3cc(C)c4c(=O)[n-]c(=O)nc-4[n-]3)cc2[nH]1 ZINC000531930369 562461691 /nfs/dbraw/zinc/46/16/91/562461691.db2.gz AUCIPJVSOCFKQI-UHFFFAOYSA-N -2 3 350.338 2.181 20 0 FEADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)n1 ZINC000541928439 562623621 /nfs/dbraw/zinc/62/36/21/562623621.db2.gz FXTITRQRZHKNTE-UHFFFAOYSA-N -2 3 358.778 2.093 20 0 FEADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cccc([O-])c1Br ZINC000603418569 568098789 /nfs/dbraw/zinc/09/87/89/568098789.db2.gz GKSDCNNIVXWQAT-UHFFFAOYSA-N -2 3 366.233 2.096 20 0 FEADHL C[C@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1ncc(C(=O)[O-])s1 ZINC000563148632 568284458 /nfs/dbraw/zinc/28/44/58/568284458.db2.gz WXUAQGJQCPHSJE-JGVFFNPUSA-N -2 3 354.400 2.257 20 0 FEADHL CCSc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736667341 598866994 /nfs/dbraw/zinc/86/69/94/598866994.db2.gz ODASHUCVVQDUQJ-UHFFFAOYSA-N -2 3 362.440 2.175 20 0 FEADHL CCSc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736667341 598866995 /nfs/dbraw/zinc/86/69/95/598866995.db2.gz ODASHUCVVQDUQJ-UHFFFAOYSA-N -2 3 362.440 2.175 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Br)ccc2F)CCCC1 ZINC000536293174 597039335 /nfs/dbraw/zinc/03/93/35/597039335.db2.gz AXKOYEFHRRPBJD-UHFFFAOYSA-N -2 3 366.208 2.264 20 0 FEADHL CCc1csc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000736701073 598333020 /nfs/dbraw/zinc/33/30/20/598333020.db2.gz YISNODKUZARGCH-UHFFFAOYSA-N -2 3 370.847 2.340 20 0 FEADHL CCc1csc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000736701073 598333022 /nfs/dbraw/zinc/33/30/22/598333022.db2.gz YISNODKUZARGCH-UHFFFAOYSA-N -2 3 370.847 2.340 20 0 FEADHL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000736961213 598381814 /nfs/dbraw/zinc/38/18/14/598381814.db2.gz KDCWYUNXZRBGEX-LLVKDONJSA-N -2 3 359.411 2.375 20 0 FEADHL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000736961213 598381815 /nfs/dbraw/zinc/38/18/15/598381815.db2.gz KDCWYUNXZRBGEX-LLVKDONJSA-N -2 3 359.411 2.375 20 0 FEADHL CC(C)(C(=O)[N-]OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735581154 598537712 /nfs/dbraw/zinc/53/77/12/598537712.db2.gz OOFCHOMQMMKAMU-UHFFFAOYSA-N -2 3 367.409 2.271 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC000737300667 599456521 /nfs/dbraw/zinc/45/65/21/599456521.db2.gz DQCIICIVXLHYOY-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL C[C@]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)(C(=O)[O-])C1CC1 ZINC000736663865 600239931 /nfs/dbraw/zinc/23/99/31/600239931.db2.gz GKXDIAAYFRGKOJ-GFCCVEGCSA-N -2 3 355.309 2.376 20 0 FEADHL Cc1nn2c(nc(C)cc2C)c1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000738378052 600539449 /nfs/dbraw/zinc/53/94/49/600539449.db2.gz DNVFFKCFHDIULY-UHFFFAOYSA-N -2 3 374.426 2.166 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C1CC1 ZINC000736665593 600632238 /nfs/dbraw/zinc/63/22/38/600632238.db2.gz WOJAFOWYUGSHQF-LURJTMIESA-N -2 3 366.208 2.363 20 0 FEADHL CCOC(=O)c1ccc(NC(=O)c2cccc(OCC(=O)[O-])c2)c([O-])c1 ZINC000737155162 600729969 /nfs/dbraw/zinc/72/99/69/600729969.db2.gz KNDVPSOEHAUCDK-UHFFFAOYSA-N -2 3 359.334 2.285 20 0 FEADHL CCOC(=O)c1ccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c([O-])c1 ZINC000737155063 600730815 /nfs/dbraw/zinc/73/08/15/600730815.db2.gz ICTNGMZTNRXHLV-UHFFFAOYSA-N -2 3 359.334 2.285 20 0 FEADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Oc1ccccc1Cl ZINC000827507212 600779992 /nfs/dbraw/zinc/77/99/92/600779992.db2.gz FDIQOCDVKFKJAX-VIFPVBQESA-N -2 3 359.787 2.377 20 0 FEADHL CCc1ccc([O-])c(C(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000830254043 601123013 /nfs/dbraw/zinc/12/30/13/601123013.db2.gz SBWLFWSJFOLHNY-CYBMUJFWSA-N -2 3 374.418 2.250 20 0 FEADHL Cc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(=O)[n-]1 ZINC000832995421 601169910 /nfs/dbraw/zinc/16/99/10/601169910.db2.gz YEUCPJFPDPWMOW-PIGZYNQJSA-N -2 3 357.410 2.310 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000645945043 601214918 /nfs/dbraw/zinc/21/49/18/601214918.db2.gz ILZPOBYTGUGCIQ-VIFPVBQESA-N -2 3 367.379 2.097 20 0 FEADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCOCC1 ZINC000833206162 601270101 /nfs/dbraw/zinc/27/01/01/601270101.db2.gz PBIYSCROSNMJEW-UHFFFAOYSA-N -2 3 368.238 2.296 20 0 FEADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000828672846 601479698 /nfs/dbraw/zinc/47/96/98/601479698.db2.gz WSDNEBQGURAOFN-SNVBAGLBSA-N -2 3 356.263 2.432 20 0 FEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1CC1 ZINC000776575600 601613114 /nfs/dbraw/zinc/61/31/14/601613114.db2.gz SMXNXQUXGCPJDN-SNVBAGLBSA-N -2 3 355.309 2.376 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C1CC1 ZINC000776575598 601613188 /nfs/dbraw/zinc/61/31/88/601613188.db2.gz SMXNXQUXGCPJDN-JTQLQIEISA-N -2 3 355.309 2.376 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccccc2)cc1F ZINC000683925086 601882275 /nfs/dbraw/zinc/88/22/75/601882275.db2.gz HUORONPGRYLZSJ-LBPRGKRZSA-N -2 3 355.362 2.420 20 0 FEADHL Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000761907235 602304563 /nfs/dbraw/zinc/30/45/63/602304563.db2.gz JLKUBEXUGJXGEU-UHFFFAOYSA-N -2 3 360.750 2.387 20 0 FEADHL O=C([O-])Nc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000740696291 602500935 /nfs/dbraw/zinc/50/09/35/602500935.db2.gz QJSNXQNDMWGVKI-UHFFFAOYSA-N -2 3 356.317 2.026 20 0 FEADHL O=C([O-])Nc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000740696291 602500936 /nfs/dbraw/zinc/50/09/36/602500936.db2.gz QJSNXQNDMWGVKI-UHFFFAOYSA-N -2 3 356.317 2.026 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](CN(C)C(=O)[O-])C3)nc2)n1 ZINC000739536884 602734710 /nfs/dbraw/zinc/73/47/10/602734710.db2.gz VQTUQMLQSJNFPX-GFCCVEGCSA-N -2 3 357.414 2.243 20 0 FEADHL CSCC[C@@H](NC(=O)[O-])C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000829737268 603915711 /nfs/dbraw/zinc/91/57/11/603915711.db2.gz GOPOGNVUZOJGFO-SECBINFHSA-N -2 3 371.369 2.078 20 0 FEADHL O=C([O-])c1ccc(CNC(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000833145784 604302633 /nfs/dbraw/zinc/30/26/33/604302633.db2.gz ZEXGUJNCOUKMBB-UHFFFAOYSA-N -2 3 369.171 2.445 20 0 FEADHL Cc1nc(C)c(CC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(=O)[n-]1 ZINC000833754732 604876459 /nfs/dbraw/zinc/87/64/59/604876459.db2.gz FLQIJLDSJLFDTA-AWEZNQCLSA-N -2 3 367.764 2.076 20 0 FEADHL O=C([O-])c1ccccc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000821552673 605120986 /nfs/dbraw/zinc/12/09/86/605120986.db2.gz DMVVUTPTJBITGM-UHFFFAOYSA-N -2 3 369.377 2.080 20 0 FEADHL CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCCC1 ZINC000833430837 605210857 /nfs/dbraw/zinc/21/08/57/605210857.db2.gz IVZIEYPWJQXTCV-UHFFFAOYSA-N -2 3 373.427 2.301 20 0 FEADHL O=C([O-])N[C@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000740597395 605917392 /nfs/dbraw/zinc/91/73/92/605917392.db2.gz YRFHWBGQFXNQNO-VIFPVBQESA-N -2 3 360.395 2.499 20 0 FEADHL COc1cc(C(=O)N[C@@H](CNC(=O)[O-])C2CCCCC2)cc(OC)c1[O-] ZINC000833886529 605924275 /nfs/dbraw/zinc/92/42/75/605924275.db2.gz ZRFGRDZJPJSYJT-ZDUSSCGKSA-N -2 3 366.414 2.356 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c(Cl)c1 ZINC000822267500 606337270 /nfs/dbraw/zinc/33/72/70/606337270.db2.gz XEYCBHXLBXFZQE-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cc1F ZINC000822203399 606821010 /nfs/dbraw/zinc/82/10/10/606821010.db2.gz RQAMXCGSIXVQDH-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cc1F ZINC000822203399 606821011 /nfs/dbraw/zinc/82/10/11/606821011.db2.gz RQAMXCGSIXVQDH-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000820274080 606891865 /nfs/dbraw/zinc/89/18/65/606891865.db2.gz DBKVTVYSOQXGKW-MRVPVSSYSA-N -2 3 359.402 2.105 20 0 FEADHL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000824377353 607816784 /nfs/dbraw/zinc/81/67/84/607816784.db2.gz CVXLNZUKJSXHDQ-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000824377353 607816785 /nfs/dbraw/zinc/81/67/85/607816785.db2.gz CVXLNZUKJSXHDQ-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL O=S(=O)([N-]c1ccc(C(F)(F)F)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826492557 608054583 /nfs/dbraw/zinc/05/45/83/608054583.db2.gz RAMUDCSOXQOOGT-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)Nc1cccc([O-])c1F ZINC000826233011 608087180 /nfs/dbraw/zinc/08/71/80/608087180.db2.gz QNQWCKYZGJZDRW-UHFFFAOYSA-N -2 3 372.360 2.000 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cncc(Cl)c1 ZINC000826493190 608527144 /nfs/dbraw/zinc/52/71/44/608527144.db2.gz XOIYOBLIXPWWQR-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cncc(Cl)c1 ZINC000826493190 608527145 /nfs/dbraw/zinc/52/71/45/608527145.db2.gz XOIYOBLIXPWWQR-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1cnoc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826493099 608618529 /nfs/dbraw/zinc/61/85/29/608618529.db2.gz TXWQHBFIULPBAX-UHFFFAOYSA-N -2 3 368.378 2.323 20 0 FEADHL O=S(=O)([N-]c1cnoc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826493099 608618530 /nfs/dbraw/zinc/61/85/30/608618530.db2.gz TXWQHBFIULPBAX-UHFFFAOYSA-N -2 3 368.378 2.323 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nn1[C@@H](C)C1CC1 ZINC000826271307 609469272 /nfs/dbraw/zinc/46/92/72/609469272.db2.gz MLKDGVQQKLSCQZ-NSHDSACASA-N -2 3 373.442 2.143 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nn1[C@@H](C)C1CC1 ZINC000826271307 609469275 /nfs/dbraw/zinc/46/92/75/609469275.db2.gz MLKDGVQQKLSCQZ-NSHDSACASA-N -2 3 373.442 2.143 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c(F)cc1F ZINC000560075754 674566634 /nfs/dbraw/zinc/56/66/34/674566634.db2.gz LMWOCJMCCLLXQS-RNCFNFMXSA-N -2 3 365.398 2.208 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000560075749 674566730 /nfs/dbraw/zinc/56/67/30/674566730.db2.gz HOSIZGPBCIBHKS-UHFFFAOYSA-N -2 3 370.652 2.492 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccccc1 ZINC000562409752 674752403 /nfs/dbraw/zinc/75/24/03/674752403.db2.gz STOBYOGNVZCZKR-NSHDSACASA-N -2 3 374.340 2.247 20 0 FEADHL O=C(CCC1CCCCC1)[N-][N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000015510912 670011956 /nfs/dbraw/zinc/01/19/56/670011956.db2.gz XPIZLGTYKJJORA-UHFFFAOYSA-N -2 3 355.416 2.265 20 0 FEADHL C[C@H](CC(=O)[O-])N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000570827830 670775399 /nfs/dbraw/zinc/77/53/99/670775399.db2.gz PCXHOZPXWJKADZ-MRVPVSSYSA-N -2 3 367.199 2.226 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-]CCC[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000570992116 670798506 /nfs/dbraw/zinc/79/85/06/670798506.db2.gz ATEZGCSPZCHWOW-AWEZNQCLSA-N -2 3 368.480 2.454 20 0 FEADHL C[C@@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000565949773 675163397 /nfs/dbraw/zinc/16/33/97/675163397.db2.gz XMOIFKPNLGLUQZ-NOZJJQNGSA-N -2 3 352.437 2.443 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000576224551 671353317 /nfs/dbraw/zinc/35/33/17/671353317.db2.gz XBHDPKQXWCNLQR-RYUDHWBXSA-N -2 3 368.436 2.040 20 0 FEADHL Cc1cnc(SCCOCCSc2ncc(C)c(=O)[n-]2)[n-]c1=O ZINC000576242154 671354942 /nfs/dbraw/zinc/35/49/42/671354942.db2.gz QDCXGDHLPWTLFM-UHFFFAOYSA-N -2 3 354.457 2.196 20 0 FEADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000650426645 677373231 /nfs/dbraw/zinc/37/32/31/677373231.db2.gz POGSNTWAUWTUSL-ZETCQYMHSA-N -2 3 355.309 2.376 20 0 FEADHL CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCO1 ZINC000581129398 671866528 /nfs/dbraw/zinc/86/65/28/671866528.db2.gz UFKQUVVWOHGHME-WDEREUQCSA-N -2 3 362.473 2.103 20 0 FEADHL COc1ccc(C(=O)CSc2nc(C)c(C)c(=O)[n-]2)c2occ([O-])c21 ZINC000582634920 672020112 /nfs/dbraw/zinc/02/01/12/672020112.db2.gz FCFDKSUYRMYUAM-UHFFFAOYSA-N -2 3 360.391 2.358 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])Oc1ccccc1F ZINC000583319742 672084006 /nfs/dbraw/zinc/08/40/06/672084006.db2.gz GARMJLHSMHOPSG-SECBINFHSA-N -2 3 374.415 2.116 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000583562587 672106798 /nfs/dbraw/zinc/10/67/98/672106798.db2.gz BSCQVIYSBJWULF-SNVBAGLBSA-N -2 3 370.452 2.208 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2c(C)n(C)c3ccccc32)c[n-]1 ZINC000585730316 672227734 /nfs/dbraw/zinc/22/77/34/672227734.db2.gz JMJSLPIOPSHPIC-UHFFFAOYSA-N -2 3 362.411 2.187 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccccc2Br)c[n-]1 ZINC000585730164 672227747 /nfs/dbraw/zinc/22/77/47/672227747.db2.gz AWLDHTGYYOBGLK-UHFFFAOYSA-N -2 3 374.216 2.150 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)Cc1ccccc1 ZINC000681576602 672676147 /nfs/dbraw/zinc/67/61/47/672676147.db2.gz ALTPHCOJTHKQGD-LBPRGKRZSA-N -2 3 355.362 2.187 20 0 FEADHL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000323568833 673043486 /nfs/dbraw/zinc/04/34/86/673043486.db2.gz XGJJBNAHGREWKU-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427300817 673210525 /nfs/dbraw/zinc/21/05/25/673210525.db2.gz GJSVGQGQCHCAOA-UHFFFAOYSA-N -2 3 355.343 2.342 20 0 FEADHL CCn1cc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1C(=O)[O-] ZINC000536609549 673372097 /nfs/dbraw/zinc/37/20/97/673372097.db2.gz FGIPMNNUNBKKDY-UHFFFAOYSA-N -3 3 370.358 2.153 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1CC(=O)[O-] ZINC000538139146 673424272 /nfs/dbraw/zinc/42/42/72/673424272.db2.gz ZYEKTPKZBJVVSU-UHFFFAOYSA-N -2 3 357.334 2.401 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000539400012 673488462 /nfs/dbraw/zinc/48/84/62/673488462.db2.gz QMVQBHMSGGCAIQ-UHFFFAOYSA-N -2 3 362.407 2.111 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)ccc1OCCO ZINC000542983115 673619355 /nfs/dbraw/zinc/61/93/55/673619355.db2.gz MIOPHJJPHPVBEP-UHFFFAOYSA-N -2 3 369.370 2.004 20 0 FEADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1F ZINC000547566304 673865056 /nfs/dbraw/zinc/86/50/56/673865056.db2.gz WZOGTSRFECXJNT-UHFFFAOYSA-N -2 3 370.289 2.311 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(F)cc1 ZINC000547577076 673866872 /nfs/dbraw/zinc/86/68/72/673866872.db2.gz YEIUAODAYGOHJR-ZDUSSCGKSA-N -2 3 363.288 2.347 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2F)s1 ZINC000547598543 673871323 /nfs/dbraw/zinc/87/13/23/673871323.db2.gz YYJDSGNPIWORFX-NSHDSACASA-N -2 3 358.416 2.339 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](CSCC=C(C)C)C(=O)[O-])s1 ZINC000547614186 673874494 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O=C([O-])[C@H](CC1CCOCC1)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000910459301 685059632 /nfs/dbraw/zinc/05/96/32/685059632.db2.gz NDQARBMMAKGCCM-ZDUSSCGKSA-N -2 3 361.316 2.411 20 0 FEADHL O=C([O-])C1([N-]C(=O)C(F)(F)c2ncccc2Br)CCCC1 ZINC000901434608 690646453 /nfs/dbraw/zinc/64/64/53/690646453.db2.gz WQOKBFVJDDFENA-UHFFFAOYSA-N -2 3 363.158 2.450 20 0 FEADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(F)cc2F)C1 ZINC000903548081 690920957 /nfs/dbraw/zinc/92/09/57/690920957.db2.gz XEAIIYKFYAIMHV-CZMCAQCFSA-N -2 3 357.334 2.481 20 0 FEADHL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccccc1CF ZINC000903706822 690964947 /nfs/dbraw/zinc/96/49/47/690964947.db2.gz OASMVIWKFIHCIB-QWHCGFSZSA-N -2 3 362.323 2.252 20 0 FEADHL O=C([O-])[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000906001028 691210410 /nfs/dbraw/zinc/21/04/10/691210410.db2.gz MXZAURFKQJTZGA-KWQFWETISA-N -2 3 368.238 2.294 20 0 FEADHL C/C=C/C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-] ZINC000909160138 691787958 /nfs/dbraw/zinc/78/79/58/691787958.db2.gz VREVPKUPZAHAHS-VUDBWIFFSA-N -2 3 357.204 2.373 20 0 FEADHL O=C([O-])[C@@H]1CSCCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000910148605 691894826 /nfs/dbraw/zinc/89/48/26/691894826.db2.gz CXJDFZIYXSKLSN-VIFPVBQESA-N -2 3 360.229 2.045 20 0 FEADHL COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000028245975 539828459 /nfs/dbraw/zinc/82/84/59/539828459.db2.gz KKVMWNRDJNRLNQ-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL O=S(=O)([N-]N=c1c(F)c(F)[n-]c(F)c1F)c1cnc2ccccc2c1 ZINC000800831422 674080278 /nfs/dbraw/zinc/08/02/78/674080278.db2.gz UIYWRDVRZDSTFV-UHFFFAOYSA-N -2 3 372.303 2.492 20 0 FEADHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000226860358 209368435 /nfs/dbraw/zinc/36/84/35/209368435.db2.gz PVJNUVZTCCECRG-UHFFFAOYSA-N -2 3 350.783 2.333 20 0 FEADHL CCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000068216094 541564512 /nfs/dbraw/zinc/56/45/12/541564512.db2.gz FJNVSNHJTGHACP-UHFFFAOYSA-N -2 3 360.391 2.160 20 0 FEADHL CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000068216205 541564135 /nfs/dbraw/zinc/56/41/35/541564135.db2.gz CWVLPJRKPVTYAO-UHFFFAOYSA-N -2 3 374.418 2.468 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C)sc1Br ZINC000126274888 543927453 /nfs/dbraw/zinc/92/74/53/543927453.db2.gz BJQLDEIZSQHYKA-QMMMGPOBSA-N -2 3 370.290 2.454 20 0 FEADHL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153597166 544796540 /nfs/dbraw/zinc/79/65/40/544796540.db2.gz BKVXJGQKSUUCPP-UHFFFAOYSA-N -2 3 371.784 2.076 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nc(-c3cccs3)ns2)co1 ZINC000182157730 327763384 /nfs/dbraw/zinc/76/33/84/327763384.db2.gz RMXIYMZOOFBQPW-UHFFFAOYSA-N -2 3 370.437 2.020 20 0 FEADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000263174997 328922385 /nfs/dbraw/zinc/92/23/85/328922385.db2.gz SPFMABOVYLSMHC-VIFPVBQESA-N -2 3 355.334 2.349 20 0 FEADHL O=C([O-])c1cc([N-]S(=O)(=O)[C@H]2CCCOC2)ccc1Br ZINC000275310116 330033448 /nfs/dbraw/zinc/03/34/48/330033448.db2.gz RFLKYGWZJVKTLY-VIFPVBQESA-N -2 3 364.217 2.068 20 0 FEADHL O=C([O-])CCCC[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000281803085 330175304 /nfs/dbraw/zinc/17/53/04/330175304.db2.gz ITJJLFMYLVSUMH-UHFFFAOYSA-N -2 3 354.197 2.121 20 0 FEADHL COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000477400225 561143992 /nfs/dbraw/zinc/14/39/92/561143992.db2.gz BWYRGXHJMNYNFT-UHFFFAOYSA-N -2 3 363.391 2.210 20 0 FEADHL CCCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cn1 ZINC000479551493 561191899 /nfs/dbraw/zinc/19/18/99/561191899.db2.gz FPMYSRKNLUPVPF-UHFFFAOYSA-N -3 3 366.395 2.465 20 0 FEADHL O=C([O-])[C@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000180345720 547088019 /nfs/dbraw/zinc/08/80/19/547088019.db2.gz LNQRRUIGSPUTMV-CABCVRRESA-N -2 3 350.378 2.288 20 0 FEADHL O=C([O-])[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000180345735 547088575 /nfs/dbraw/zinc/08/85/75/547088575.db2.gz LNQRRUIGSPUTMV-GJZGRUSLSA-N -2 3 350.378 2.288 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000485175443 561314241 /nfs/dbraw/zinc/31/42/41/561314241.db2.gz SYBFNSHLWSLPNP-UHFFFAOYSA-N -2 3 359.411 2.375 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000485175443 561314242 /nfs/dbraw/zinc/31/42/42/561314242.db2.gz SYBFNSHLWSLPNP-UHFFFAOYSA-N -2 3 359.411 2.375 20 0 FEADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)c1 ZINC000237963487 548868022 /nfs/dbraw/zinc/86/80/22/548868022.db2.gz IZCSDRJGNCWSID-UHFFFAOYSA-N -2 3 350.421 2.449 20 0 FEADHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000262729200 549843983 /nfs/dbraw/zinc/84/39/83/549843983.db2.gz UENYPJKUOYFABO-HAQNSBGRSA-N -2 3 354.428 2.196 20 0 FEADHL COc1nc([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)n[n-]1 ZINC000272835755 550472973 /nfs/dbraw/zinc/47/29/73/550472973.db2.gz NAOBSMRNYHBTOO-UHFFFAOYSA-N -2 3 372.353 2.144 20 0 FEADHL CC1C[C@H](C(=O)Nc2ncccc2[O-])[C@@H](C(=O)Nc2ncccc2[O-])C1 ZINC000274936204 550565841 /nfs/dbraw/zinc/56/58/41/550565841.db2.gz ZMJHOXGELMOMBS-RYUDHWBXSA-N -2 3 356.382 2.127 20 0 FEADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000274957633 550567651 /nfs/dbraw/zinc/56/76/51/550567651.db2.gz ULOSGPSYQGHQQN-LBPRGKRZSA-N -2 3 357.457 2.095 20 0 FEADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000276920628 550611063 /nfs/dbraw/zinc/61/10/63/550611063.db2.gz PCDXOLUWABFUJA-LURJTMIESA-N -2 3 356.625 2.244 20 0 FEADHL CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Cc2nc(C(=O)[O-])cs2)cc1 ZINC000282240208 551199860 /nfs/dbraw/zinc/19/98/60/551199860.db2.gz QAGJJHXNDZORTC-SNVBAGLBSA-N -2 3 370.452 2.209 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nc(C(C)(C)C)ns2)ccc1[O-] ZINC000282245152 551200805 /nfs/dbraw/zinc/20/08/05/551200805.db2.gz GCKOQBFLEQQMMK-UHFFFAOYSA-N -2 3 371.440 2.129 20 0 FEADHL Cc1oc(C)c(S(=O)(=O)[N-]Cc2cc(C)cc(Cl)n2)c1C(=O)[O-] ZINC000283776797 551425867 /nfs/dbraw/zinc/42/58/67/551425867.db2.gz KFAGLZZMLRGOPX-UHFFFAOYSA-N -2 3 358.803 2.430 20 0 FEADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000285297859 551733667 /nfs/dbraw/zinc/73/36/67/551733667.db2.gz XXKXSNUEYOJZDY-VIFPVBQESA-N -2 3 353.799 2.026 20 0 FEADHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000291919465 552674855 /nfs/dbraw/zinc/67/48/55/552674855.db2.gz UQKUDFCCOGLUDH-JGVFFNPUSA-N -2 3 369.292 2.032 20 0 FEADHL CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)o1 ZINC000291996709 552682624 /nfs/dbraw/zinc/68/26/24/552682624.db2.gz XBGVTTOXLKVXNG-UHFFFAOYSA-N -2 3 368.411 2.121 20 0 FEADHL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)CCC2CCOCC2)c1F ZINC000292417910 552724930 /nfs/dbraw/zinc/72/49/30/552724930.db2.gz KMCAOGYYJXNONL-UHFFFAOYSA-N -2 3 361.391 2.091 20 0 FEADHL CO[C@H](CS(=O)(=O)[N-]Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000296820068 553216221 /nfs/dbraw/zinc/21/62/21/553216221.db2.gz CURQNUDGPQRQFW-OAHLLOKOSA-N -2 3 353.396 2.093 20 0 FEADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000296980234 553238275 /nfs/dbraw/zinc/23/82/75/553238275.db2.gz PFRFPFXKGYYEQY-LURJTMIESA-N -2 3 371.640 2.029 20 0 FEADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000322071925 553767303 /nfs/dbraw/zinc/76/73/03/553767303.db2.gz DFKVJDAJIDFNON-DGCLKSJQSA-N -2 3 362.791 2.170 20 0 FEADHL Cc1ccc(F)cc1S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000324006602 553771092 /nfs/dbraw/zinc/77/10/92/553771092.db2.gz KDJDNVSYWBXLFJ-VIFPVBQESA-N -2 3 357.325 2.456 20 0 FEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000324718815 553773413 /nfs/dbraw/zinc/77/34/13/553773413.db2.gz XWKOIOCCVHEEBV-UHFFFAOYSA-N -2 3 368.798 2.246 20 0 FEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(F)c1 ZINC000506599798 561703352 /nfs/dbraw/zinc/70/33/52/561703352.db2.gz CLSWXABDIVSQES-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])ccc1C(=O)[O-] ZINC000506706609 561706723 /nfs/dbraw/zinc/70/67/23/561706723.db2.gz LLDHLWSMBMFHRB-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC2CCCCC2)c(F)c1 ZINC000330535929 554134838 /nfs/dbraw/zinc/13/48/38/554134838.db2.gz WDLRNRMMHMPSQW-UHFFFAOYSA-N -2 3 364.464 2.056 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)c(C)c1C(=O)[O-] ZINC000512746569 561913921 /nfs/dbraw/zinc/91/39/21/561913921.db2.gz KECXJKQFJDPPNY-UHFFFAOYSA-N -2 3 363.395 2.293 20 0 FEADHL CCCOc1ccc(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])c(C)c1 ZINC000516461164 562043643 /nfs/dbraw/zinc/04/36/43/562043643.db2.gz JDQQJNURFRRGCV-UHFFFAOYSA-N -2 3 370.452 2.417 20 0 FEADHL C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000516510409 562045467 /nfs/dbraw/zinc/04/54/67/562045467.db2.gz PDCDBAARDPPQTP-VFZGTOFNSA-N -2 3 351.355 2.324 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C1CCC1 ZINC000399257350 558627852 /nfs/dbraw/zinc/62/78/52/558627852.db2.gz JVXJLQUMKNIDLK-NSHDSACASA-N -2 3 366.208 2.120 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br)C(F)F ZINC000414320757 559156119 /nfs/dbraw/zinc/15/61/19/559156119.db2.gz CMTPYQTUNODSRP-MRVPVSSYSA-N -2 3 372.187 2.469 20 0 FEADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000417422281 559361547 /nfs/dbraw/zinc/36/15/47/559361547.db2.gz OKBKHAFGOQKQJI-ZCFIWIBFSA-N -2 3 356.625 2.244 20 0 FEADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000417422277 559361600 /nfs/dbraw/zinc/36/16/00/559361600.db2.gz OKBKHAFGOQKQJI-LURJTMIESA-N -2 3 356.625 2.244 20 0 FEADHL CCCS(=O)(=O)[N-]c1cc(NC(=O)c2ncccc2[O-])c(F)cc1F ZINC000427120511 559748372 /nfs/dbraw/zinc/74/83/72/559748372.db2.gz SJDBEPWMHPBTPZ-UHFFFAOYSA-N -2 3 371.365 2.469 20 0 FEADHL CS(=O)(=O)[N-]c1cc(NC(=O)Cc2cccc(C(=O)[O-])c2)ccc1F ZINC000432117840 559852398 /nfs/dbraw/zinc/85/23/98/559852398.db2.gz VLRHRLGUEFDOHE-UHFFFAOYSA-N -2 3 366.370 2.077 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c(C)c1C(=O)[O-] ZINC000436622832 559946888 /nfs/dbraw/zinc/94/68/88/559946888.db2.gz CLNQZNOSIHBZIL-UHFFFAOYSA-N -3 3 365.363 2.206 20 0 FEADHL CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1[O-] ZINC000436636472 559947343 /nfs/dbraw/zinc/94/73/43/559947343.db2.gz YMFSWWKDRLAGMU-UHFFFAOYSA-N -2 3 364.423 2.294 20 0 FEADHL C[C@]1(c2ccc(CNC(=O)c3ccc(Cl)cc3[O-])cc2)NC(=O)[N-]C1=O ZINC000436701603 559949413 /nfs/dbraw/zinc/94/94/13/559949413.db2.gz ZJBMQBGBWFZHID-GOSISDBHSA-N -2 3 373.796 2.030 20 0 FEADHL Cn1[n-]c(=NC(=O)c2cc(Br)ccc2[O-])cc1OC(F)F ZINC000436735849 559950383 /nfs/dbraw/zinc/95/03/83/559950383.db2.gz DPYOKJIOBAQMBQ-UHFFFAOYSA-N -2 3 362.130 2.742 20 0 FEADHL Cn1[n-]c(=NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1OC(F)F ZINC000436820305 559953039 /nfs/dbraw/zinc/95/30/39/559953039.db2.gz GLVIYCXHLDZZIB-UHFFFAOYSA-N -2 3 351.231 2.998 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1cnc2ccsc2c1 ZINC000439574180 559997160 /nfs/dbraw/zinc/99/71/60/559997160.db2.gz UZHQDUNCRGCOHW-UHFFFAOYSA-N -2 3 358.408 2.277 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cnc2ccsc2c1 ZINC000439574180 559997161 /nfs/dbraw/zinc/99/71/61/559997161.db2.gz UZHQDUNCRGCOHW-UHFFFAOYSA-N -2 3 358.408 2.277 20 0 FEADHL CO[C@@H](CS(=O)(=O)[N-]c1n[n-]c(SC(C)C)n1)c1ccccc1 ZINC000450975592 560280846 /nfs/dbraw/zinc/28/08/46/560280846.db2.gz XSLNBODVDSLMRF-LBPRGKRZSA-N -2 3 356.473 2.435 20 0 FEADHL CCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1C1CC1 ZINC000451091883 560286512 /nfs/dbraw/zinc/28/65/12/560286512.db2.gz KKGUCGOUWZKBEM-UHFFFAOYSA-N -3 3 365.411 2.375 20 0 FEADHL CC1CN(C(=O)c2ccccc2[O-])CCN(C(=O)c2ccccc2[O-])C1 ZINC000456707184 560530074 /nfs/dbraw/zinc/53/00/74/560530074.db2.gz WGELIRNLQCTIRE-UHFFFAOYSA-N -2 3 354.406 2.332 20 0 FEADHL CO[C@@H](CC[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F)C(F)(F)F ZINC000469479056 560956123 /nfs/dbraw/zinc/95/61/23/560956123.db2.gz APALXLFMTVJFSK-JTQLQIEISA-N -2 3 373.324 2.078 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc(C(=O)[O-])c1C ZINC000471108575 560998412 /nfs/dbraw/zinc/99/84/12/560998412.db2.gz OTWKEPHYYVEOPG-UHFFFAOYSA-N -2 3 363.395 2.293 20 0 FEADHL C[C@@H]1CCN(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)C1 ZINC000471969215 561015257 /nfs/dbraw/zinc/01/52/57/561015257.db2.gz IFKXSKRFKDVIDF-MRVPVSSYSA-N -2 3 368.333 2.282 20 0 FEADHL CC1([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCCC1 ZINC000476905571 561131638 /nfs/dbraw/zinc/13/16/38/561131638.db2.gz PBZHGPMEQINYHZ-UHFFFAOYSA-N -2 3 364.464 2.198 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)cc1C(=O)[O-] ZINC000530666279 562419799 /nfs/dbraw/zinc/41/97/99/562419799.db2.gz UZIBITUMJTWQGO-UHFFFAOYSA-N -2 3 372.406 2.134 20 0 FEADHL CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736654322 598843031 /nfs/dbraw/zinc/84/30/31/598843031.db2.gz KCQONQIWBDETQM-UHFFFAOYSA-N -2 3 363.374 2.205 20 0 FEADHL CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736654322 598843034 /nfs/dbraw/zinc/84/30/34/598843034.db2.gz KCQONQIWBDETQM-UHFFFAOYSA-N -2 3 363.374 2.205 20 0 FEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)nc1 ZINC000737224988 598949018 /nfs/dbraw/zinc/94/90/18/598949018.db2.gz JYSMYZGVAMGKOU-UHFFFAOYSA-N -2 3 374.426 2.158 20 0 FEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000737225872 598949279 /nfs/dbraw/zinc/94/92/79/598949279.db2.gz JRDQPUZOOUQYJS-UHFFFAOYSA-N -2 3 373.442 2.063 20 0 FEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnc(C(C)(C)C)nc1 ZINC000737225872 598949281 /nfs/dbraw/zinc/94/92/81/598949281.db2.gz JRDQPUZOOUQYJS-UHFFFAOYSA-N -2 3 373.442 2.063 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1OC(C)C ZINC000737279903 599098011 /nfs/dbraw/zinc/09/80/11/599098011.db2.gz GDZZPRYXVNNBJR-UHFFFAOYSA-N -2 3 374.426 2.158 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1OC(C)C ZINC000737279903 599098014 /nfs/dbraw/zinc/09/80/14/599098014.db2.gz GDZZPRYXVNNBJR-UHFFFAOYSA-N -2 3 374.426 2.158 20 0 FEADHL CSc1ccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)nc1 ZINC000737190524 599192569 /nfs/dbraw/zinc/19/25/69/599192569.db2.gz MZZYMDGJGNUCRA-UHFFFAOYSA-N -2 3 362.440 2.093 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc(C(F)(F)F)cc1 ZINC000823583463 599231845 /nfs/dbraw/zinc/23/18/45/599231845.db2.gz QXXGQUCKLFQOLK-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736436591 599245525 /nfs/dbraw/zinc/24/55/25/599245525.db2.gz DQKUIYZAWBXZSO-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736436591 599245528 /nfs/dbraw/zinc/24/55/28/599245528.db2.gz DQKUIYZAWBXZSO-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cc(F)c(F)cc1F ZINC000738340981 598308533 /nfs/dbraw/zinc/30/85/33/598308533.db2.gz AOVAPJDRDYNIRJ-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cc(F)c(F)cc1F ZINC000738340981 598308535 /nfs/dbraw/zinc/30/85/35/598308535.db2.gz AOVAPJDRDYNIRJ-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735603690 599616767 /nfs/dbraw/zinc/61/67/67/599616767.db2.gz OENNPPZFAVFPGL-UHFFFAOYSA-N -2 3 371.850 2.151 20 0 FEADHL CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735603690 599616768 /nfs/dbraw/zinc/61/67/68/599616768.db2.gz OENNPPZFAVFPGL-UHFFFAOYSA-N -2 3 371.850 2.151 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCCOCc2ccccc2)o1 ZINC000390468774 599776483 /nfs/dbraw/zinc/77/64/83/599776483.db2.gz INSOAMOBLAVVOK-UHFFFAOYSA-N -2 3 353.396 2.253 20 0 FEADHL N#Cc1cc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)ccc1F ZINC000327353223 599849654 /nfs/dbraw/zinc/84/96/54/599849654.db2.gz MJNUTGOYMSCGCI-UHFFFAOYSA-N -2 3 364.354 2.352 20 0 FEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2c1CCN(C)C2 ZINC000738276900 599907546 /nfs/dbraw/zinc/90/75/46/599907546.db2.gz KBOWJSQNBLGTPQ-UHFFFAOYSA-N -2 3 360.435 2.482 20 0 FEADHL COCc1cccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c1 ZINC000737834789 600095656 /nfs/dbraw/zinc/09/56/56/600095656.db2.gz JAWBTWCQBUUCNK-UHFFFAOYSA-N -2 3 351.380 2.097 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c([O-])c1 ZINC000738515595 600103679 /nfs/dbraw/zinc/10/36/79/600103679.db2.gz ZXKCBUXYAUWIKG-UHFFFAOYSA-N -2 3 368.389 2.061 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3cccc(F)c3)C2)o1 ZINC000740175715 600226707 /nfs/dbraw/zinc/22/67/07/600226707.db2.gz WIHIRVXFDTYCLO-LBPRGKRZSA-N -2 3 368.386 2.064 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000738163914 600447237 /nfs/dbraw/zinc/44/72/37/600447237.db2.gz KUCVRKGAJSNUIG-CQSZACIVSA-N -2 3 367.354 2.180 20 0 FEADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000548199254 600699954 /nfs/dbraw/zinc/69/99/54/600699954.db2.gz WJPBYWAAYIZBGZ-UHFFFAOYSA-N -2 3 359.325 2.323 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Oc1ccccc1Cl ZINC000827507211 600780035 /nfs/dbraw/zinc/78/00/35/600780035.db2.gz FDIQOCDVKFKJAX-SECBINFHSA-N -2 3 359.787 2.377 20 0 FEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(F)c1 ZINC000831435106 600814873 /nfs/dbraw/zinc/81/48/73/600814873.db2.gz OMJGFVNBMUXMRT-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)ccc1C(=O)[O-] ZINC000738478387 600892141 /nfs/dbraw/zinc/89/21/41/600892141.db2.gz NBHRVSPMJDSICW-UHFFFAOYSA-N -2 3 360.435 2.482 20 0 FEADHL COc1cccc(OCCC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000832573530 601222688 /nfs/dbraw/zinc/22/26/88/601222688.db2.gz WIMKBBIMPGBNHA-UHFFFAOYSA-N -2 3 369.395 2.042 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(F)c1 ZINC000833320800 601224905 /nfs/dbraw/zinc/22/49/05/601224905.db2.gz LMDOYNORIDTCFT-UHFFFAOYSA-N -3 3 357.290 2.162 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c1F ZINC000327653078 601231014 /nfs/dbraw/zinc/23/10/14/601231014.db2.gz WFNJDXCPEBXEOY-UHFFFAOYSA-N -2 3 372.305 2.050 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1ccc(C)o1 ZINC000831660465 601262469 /nfs/dbraw/zinc/26/24/69/601262469.db2.gz IUZUNVXJYYLGOZ-IZIDJEDMSA-N -2 3 365.407 2.352 20 0 FEADHL COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC000747594802 601317071 /nfs/dbraw/zinc/31/70/71/601317071.db2.gz ALABDRYWFKCJRU-NYYWCZLTSA-N -2 3 361.375 2.372 20 0 FEADHL CN1CCOc2ccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc21 ZINC000830964318 601362282 /nfs/dbraw/zinc/36/22/82/601362282.db2.gz JCRYQWHILAIFHF-UHFFFAOYSA-N -2 3 366.370 2.153 20 0 FEADHL CN1CCOc2ccc([N-]S(=O)(=O)c3ccc(/C=C\C(=O)[O-])cc3)cc21 ZINC000830963302 601362304 /nfs/dbraw/zinc/36/23/04/601362304.db2.gz CAMSARMUDNLJMX-WTKPLQERSA-N -2 3 374.418 2.414 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)sc1Br ZINC000137200940 601613473 /nfs/dbraw/zinc/61/34/73/601613473.db2.gz YPJPAWHFWRJYRP-MRVPVSSYSA-N -2 3 368.274 2.351 20 0 FEADHL NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000325119112 601829654 /nfs/dbraw/zinc/82/96/54/601829654.db2.gz RPGDZKMNCLGVJF-UHFFFAOYSA-N -2 3 372.761 2.077 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)C[C@@H](O)c2ccccc2)cc1C(=O)[O-] ZINC000833027521 601884962 /nfs/dbraw/zinc/88/49/62/601884962.db2.gz GMTKSDBKKGDUQN-QMTHXVAHSA-N -2 3 353.396 2.077 20 0 FEADHL COCc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826164637 607533691 /nfs/dbraw/zinc/53/36/91/607533691.db2.gz JLPYTDYEZZIMPS-UHFFFAOYSA-N -2 3 359.411 2.122 20 0 FEADHL CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(CCNC(=O)[O-])cc2)c1 ZINC000738574579 602035581 /nfs/dbraw/zinc/03/55/81/602035581.db2.gz ZLKWWYSCOHIHDF-UHFFFAOYSA-N -2 3 371.393 2.091 20 0 FEADHL C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000071207906 602153596 /nfs/dbraw/zinc/15/35/96/602153596.db2.gz MSKRWEYONHBJKB-RNFRBKRXSA-N -2 3 352.206 2.207 20 0 FEADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)NC(=O)[O-] ZINC000738906683 602315533 /nfs/dbraw/zinc/31/55/33/602315533.db2.gz PIQFVWHTOVBQRE-SSDOTTSWSA-N -2 3 358.313 2.169 20 0 FEADHL O=C([O-])N1CCc2ccc(NC=C3C(=O)[N-]C(=O)c4ccccc43)cc2C1 ZINC000740732818 602491498 /nfs/dbraw/zinc/49/14/98/602491498.db2.gz OLRTUEPLJVIERP-LICLKQGHSA-N -2 3 363.373 2.446 20 0 FEADHL C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(NC(=O)[O-])cc2[O-])C[C@H](C)O1 ZINC000739172279 602842426 /nfs/dbraw/zinc/84/24/26/602842426.db2.gz DEUQPWATOKGBAV-RYUDHWBXSA-N -2 3 365.430 2.100 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCC[C@H]3NC(=O)[O-])cc2)n1 ZINC000740055520 602970730 /nfs/dbraw/zinc/97/07/30/602970730.db2.gz SUTNYPLCJPEEFQ-ZIAGYGMSSA-N -2 3 356.382 2.120 20 0 FEADHL O=C([O-])NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000832483908 603132249 /nfs/dbraw/zinc/13/22/49/603132249.db2.gz UNNRSVVWCRNCCW-KCJUWKMLSA-N -2 3 350.799 2.194 20 0 FEADHL C[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823724706 603389961 /nfs/dbraw/zinc/38/99/61/603389961.db2.gz SOKVSTZVBWHNJM-CBAPKCEASA-N -2 3 357.292 2.407 20 0 FEADHL O=C([O-])N(CC1CC1)C1CCN(Cc2c([O-])nnn2-c2ccccc2)CC1 ZINC000831826076 603495080 /nfs/dbraw/zinc/49/50/80/603495080.db2.gz JBLFQKRASUIOEU-UHFFFAOYSA-N -2 3 371.441 2.327 20 0 FEADHL O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)Nc1n[n-]c(-c3ccccn3)n1)C2 ZINC000831313536 603846958 /nfs/dbraw/zinc/84/69/58/603846958.db2.gz JKNSONDQMBMWLX-YOGCLGLASA-N -2 3 356.386 2.116 20 0 FEADHL O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000832358664 603944763 /nfs/dbraw/zinc/94/47/63/603944763.db2.gz KQRQFFHBAFAEMH-KGLIPLIRSA-N -2 3 358.402 2.412 20 0 FEADHL O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000832358664 603944768 /nfs/dbraw/zinc/94/47/68/603944768.db2.gz KQRQFFHBAFAEMH-KGLIPLIRSA-N -2 3 358.402 2.412 20 0 FEADHL O=C([O-])N[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000832104094 603966435 /nfs/dbraw/zinc/96/64/35/603966435.db2.gz CMMSAUBRTMGOOB-OAHLLOKOSA-N -2 3 366.381 2.074 20 0 FEADHL C[C@@]1(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CCN(C(=O)[O-])C1 ZINC000825685187 604065496 /nfs/dbraw/zinc/06/54/96/604065496.db2.gz TXSBACJUVKDBMC-OAHLLOKOSA-N -2 3 351.313 2.078 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)c1F ZINC000833293920 604412057 /nfs/dbraw/zinc/41/20/57/604412057.db2.gz HZQHIGARTPSSLI-UHFFFAOYSA-N -2 3 369.345 2.172 20 0 FEADHL CC(C)(C)OC(=O)C1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000833431808 604702917 /nfs/dbraw/zinc/70/29/17/604702917.db2.gz DTNXMMCWCLIDLO-UHFFFAOYSA-N -2 3 373.427 2.157 20 0 FEADHL COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000563076340 605021828 /nfs/dbraw/zinc/02/18/28/605021828.db2.gz UKJVNYADNBEDQL-SNVBAGLBSA-N -2 3 370.452 2.150 20 0 FEADHL Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3cc(C(=O)[O-])co3)co2)cc1 ZINC000833746477 605207565 /nfs/dbraw/zinc/20/75/65/605207565.db2.gz IBQZQQFPZVGMFW-UHFFFAOYSA-N -2 3 362.363 2.420 20 0 FEADHL COc1cc(C(=O)N2CCC(CCN(C)C(=O)[O-])CC2)cc(OC)c1[O-] ZINC000833886551 605688229 /nfs/dbraw/zinc/68/82/29/605688229.db2.gz ZYWTZSMVXSGMOF-UHFFFAOYSA-N -2 3 366.414 2.262 20 0 FEADHL COc1cc(C(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)cc(OC)c1[O-] ZINC000833885355 605940907 /nfs/dbraw/zinc/94/09/07/605940907.db2.gz ILYNWXZEQHXDMN-GFCCVEGCSA-N -2 3 354.403 2.164 20 0 FEADHL O=S(=O)([N-]c1cccnc1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823589042 606357173 /nfs/dbraw/zinc/35/71/73/606357173.db2.gz JMJUJWZDUQIIBD-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL O=S(=O)([N-]c1cccnc1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823589042 606357175 /nfs/dbraw/zinc/35/71/75/606357175.db2.gz JMJUJWZDUQIIBD-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000822431623 606709660 /nfs/dbraw/zinc/70/96/60/606709660.db2.gz CKLSAAIESQPLLD-UHFFFAOYSA-N -2 3 370.847 2.394 20 0 FEADHL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000822431623 606709661 /nfs/dbraw/zinc/70/96/61/606709661.db2.gz CKLSAAIESQPLLD-UHFFFAOYSA-N -2 3 370.847 2.394 20 0 FEADHL CCC(CC)(CC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820882237 606759566 /nfs/dbraw/zinc/75/95/66/606759566.db2.gz MXNZWAFZTDSCGH-UHFFFAOYSA-N -2 3 365.459 2.029 20 0 FEADHL CCC(CC)(CC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820882237 606759568 /nfs/dbraw/zinc/75/95/68/606759568.db2.gz MXNZWAFZTDSCGH-UHFFFAOYSA-N -2 3 365.459 2.029 20 0 FEADHL O=S(=O)([N-][C@H]1CC2CCC1CC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572489 607144858 /nfs/dbraw/zinc/14/48/58/607144858.db2.gz IAZRHGQZJARDRV-RPTIHFLNSA-N -2 3 369.397 2.002 20 0 FEADHL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000826324497 608107739 /nfs/dbraw/zinc/10/77/39/608107739.db2.gz ULNJZYNSZAEENP-UHFFFAOYSA-N -2 3 370.847 2.394 20 0 FEADHL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000826324497 608107738 /nfs/dbraw/zinc/10/77/38/608107738.db2.gz ULNJZYNSZAEENP-UHFFFAOYSA-N -2 3 370.847 2.394 20 0 FEADHL CC1(C)CC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000824803494 608563143 /nfs/dbraw/zinc/56/31/43/608563143.db2.gz VMFAONUGUJUZGA-VIFPVBQESA-N -2 3 357.386 2.002 20 0 FEADHL COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826220750 609524471 /nfs/dbraw/zinc/52/44/71/609524471.db2.gz YPPKOJIQYBCOIZ-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826220750 609524472 /nfs/dbraw/zinc/52/44/72/609524472.db2.gz YPPKOJIQYBCOIZ-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000565517729 675128620 /nfs/dbraw/zinc/12/86/20/675128620.db2.gz SZXCZZXTNYFBEF-UHFFFAOYSA-N -2 3 370.652 2.492 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccc(C(=O)[O-])cc3)C2)o1 ZINC000570636272 670744930 /nfs/dbraw/zinc/74/49/30/670744930.db2.gz JISDVQDEQITFGS-CQSZACIVSA-N -2 3 364.423 2.234 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]N=c2c(F)c(F)[n-]c(F)c2F)ccc1F ZINC000105589699 670803837 /nfs/dbraw/zinc/80/38/37/670803837.db2.gz HCOWKUYGTSWNFK-UHFFFAOYSA-N -2 3 353.272 2.391 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1C(=O)[O-] ZINC000572599207 671021775 /nfs/dbraw/zinc/02/17/75/671021775.db2.gz SMYYBQNKXVSSPD-YGWIHHTISA-N -2 3 371.436 2.063 20 0 FEADHL CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000572838828 671050639 /nfs/dbraw/zinc/05/06/39/671050639.db2.gz OZEGHZTZYOCNNX-BDAKNGLRSA-N -2 3 350.487 2.184 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)(C)C)cc1C(=O)[O-] ZINC000574317075 671226081 /nfs/dbraw/zinc/22/60/81/671226081.db2.gz QBBBFBZXNCOPJI-SMDDNHRTSA-N -2 3 359.444 2.406 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H]2c2ccccc2)o1 ZINC000574689147 671268693 /nfs/dbraw/zinc/26/86/93/671268693.db2.gz XZMMHTDDSIZGSF-IUODEOHRSA-N -2 3 351.380 2.034 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCCOc2ccccc21 ZINC000576396477 671365528 /nfs/dbraw/zinc/36/55/28/671365528.db2.gz CSYYPOPJRAGUOG-SNVBAGLBSA-N -2 3 354.409 2.034 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@H](Cc2cccc(Cl)c2)C(=O)[O-])s1 ZINC000579061663 671709180 /nfs/dbraw/zinc/70/91/80/671709180.db2.gz FANPUBLZFDGRDY-LLVKDONJSA-N -2 3 360.844 2.079 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1SCCc2ccccc21 ZINC000584588595 672202859 /nfs/dbraw/zinc/20/28/59/672202859.db2.gz QEYJNOLPLBANMX-NSHDSACASA-N -2 3 370.477 2.150 20 0 FEADHL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1C ZINC000611412821 676036180 /nfs/dbraw/zinc/03/61/80/676036180.db2.gz ZZAJMIOZFLQNQF-UHFFFAOYSA-N -2 3 351.380 2.297 20 0 FEADHL CCOC(=O)c1ccc([N-]S(=O)(=O)[C@@H]2CCCC[C@@H]2OC)c([O-])c1 ZINC000590598034 672595009 /nfs/dbraw/zinc/59/50/09/672595009.db2.gz BCDXLWIHKTVEHE-LSDHHAIUSA-N -2 3 357.428 2.268 20 0 FEADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1O ZINC000680809316 672602513 /nfs/dbraw/zinc/60/25/13/672602513.db2.gz BSXLARIXTVBHPU-UHFFFAOYSA-N -2 3 351.380 2.273 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)c[n-]1 ZINC000590741250 672607146 /nfs/dbraw/zinc/60/71/46/672607146.db2.gz LSZLYCNCCZQMAU-UHFFFAOYSA-N -2 3 359.354 2.466 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)CCc2ccccc2O)sc1Cl ZINC000190288358 672635747 /nfs/dbraw/zinc/63/57/47/672635747.db2.gz RKCOCXTZQMFWJU-UHFFFAOYSA-N -2 3 374.871 2.358 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(OC)cc2)s1 ZINC000681555619 672671540 /nfs/dbraw/zinc/67/15/40/672671540.db2.gz DVPKOFRVUVVTDO-LBPRGKRZSA-N -2 3 370.452 2.208 20 0 FEADHL C[C@@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000311603914 673027662 /nfs/dbraw/zinc/02/76/62/673027662.db2.gz BWSVSLLWUISECI-ZETCQYMHSA-N -2 3 370.652 2.492 20 0 FEADHL C[C@H](F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000702591248 673058297 /nfs/dbraw/zinc/05/82/97/673058297.db2.gz LJYGKWBBTGECSX-YFKPBYRVSA-N -2 3 360.226 2.235 20 0 FEADHL CCOC(=O)[C@]1([N-]S(=O)(=O)c2ccccc2[O-])CCc2ccccc21 ZINC000594753770 673130317 /nfs/dbraw/zinc/13/03/17/673130317.db2.gz NAGGDYOMTZIKKE-SFHVURJKSA-N -2 3 361.419 2.075 20 0 FEADHL CCn1cc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2F)cc1C(=O)[O-] ZINC000504245366 673338498 /nfs/dbraw/zinc/33/84/98/673338498.db2.gz FEJAQJLATBXLTO-UHFFFAOYSA-N -2 3 360.338 2.294 20 0 FEADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)NC(C)C)c1 ZINC000536698499 673376888 /nfs/dbraw/zinc/37/68/88/673376888.db2.gz RSNQBRYUAXCKLT-UHFFFAOYSA-N -2 3 364.423 2.340 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1CC(=O)[O-] ZINC000540337815 673534749 /nfs/dbraw/zinc/53/47/49/673534749.db2.gz GTFQCMPARQBWEX-UHFFFAOYSA-N -2 3 357.334 2.401 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2OC)c1 ZINC000540497963 673543328 /nfs/dbraw/zinc/54/33/28/673543328.db2.gz JUMFEXPZOWPHDL-UHFFFAOYSA-N -2 3 366.395 2.169 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)c1 ZINC000540498288 673543581 /nfs/dbraw/zinc/54/35/81/673543581.db2.gz UIOAJKIKYBIAHC-UHFFFAOYSA-N -2 3 368.386 2.043 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccccc2)s1 ZINC000547614526 673874442 /nfs/dbraw/zinc/87/44/42/673874442.db2.gz NEFPMADCPTUNPH-GFCCVEGCSA-N -2 3 354.453 2.242 20 0 FEADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000547869646 673894926 /nfs/dbraw/zinc/89/49/26/673894926.db2.gz KBBNOCWOXQLDIE-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000548220506 673936942 /nfs/dbraw/zinc/93/69/42/673936942.db2.gz FPIHYLAUKOMULX-UHFFFAOYSA-N -2 3 362.194 2.470 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)s1 ZINC000548260531 673943851 /nfs/dbraw/zinc/94/38/51/673943851.db2.gz GNNVNOZYYSJXJC-NSHDSACASA-N -2 3 364.807 2.348 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]CC[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000548684882 673986779 /nfs/dbraw/zinc/98/67/79/673986779.db2.gz GDVADAZIYAZUFN-CYBMUJFWSA-N -2 3 368.480 2.317 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])o1 ZINC000568002679 675342944 /nfs/dbraw/zinc/34/29/44/675342944.db2.gz JOJJPVSDWWSVOT-GFCCVEGCSA-N -2 3 357.815 2.463 20 0 FEADHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])n1 ZINC000821110853 675414234 /nfs/dbraw/zinc/41/42/34/675414234.db2.gz ARMAUSCLDHLNRG-UHFFFAOYSA-N -2 3 362.333 2.123 20 0 FEADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1 ZINC000824333481 675596113 /nfs/dbraw/zinc/59/61/13/675596113.db2.gz KJWGRLMBPHWJDP-UHFFFAOYSA-N -2 3 359.411 2.455 20 0 FEADHL Cc1cc(Br)sc1S(=O)(=O)[N-]CCCCC(=O)[O-] ZINC000650230612 677361341 /nfs/dbraw/zinc/36/13/41/677361341.db2.gz MTKLWEDQQZJBNH-UHFFFAOYSA-N -2 3 356.263 2.352 20 0 FEADHL CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000761308100 680718729 /nfs/dbraw/zinc/71/87/29/680718729.db2.gz NGMCPCKFNALHBT-HTQZYQBOSA-N -2 3 351.396 2.225 20 0 FEADHL Cc1nc(C=Cc2cc(C(F)(F)F)nn2C)[n-]c(=O)c1CCC(=O)[O-] ZINC000663227455 678704725 /nfs/dbraw/zinc/70/47/25/678704725.db2.gz NICKZWFYGJQYDZ-HYXAFXHYSA-N -2 3 356.304 2.431 20 0 FEADHL Cc1nc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])c(-c2ccccc2)s1 ZINC000663288882 678714985 /nfs/dbraw/zinc/71/49/85/678714985.db2.gz GYBMAXITXKYOTC-NSHDSACASA-N -2 3 358.416 2.210 20 0 FEADHL Cc1csc(CCCC[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)n1 ZINC000663422138 678734729 /nfs/dbraw/zinc/73/47/29/678734729.db2.gz HYIWLKMSFWQZHE-UHFFFAOYSA-N -2 3 358.441 2.352 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCCOc2ccccc2C)oc1C(=O)[O-] ZINC000663422742 678735252 /nfs/dbraw/zinc/73/52/52/678735252.db2.gz NOIOXIKSZJWOBK-UHFFFAOYSA-N -2 3 353.396 2.342 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br)C(F)F ZINC000840890480 680849756 /nfs/dbraw/zinc/84/97/56/680849756.db2.gz LKXNMXMGOCPOKV-QMMMGPOBSA-N -2 3 372.187 2.469 20 0 FEADHL C[C@@H](CSCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000843297820 680996459 /nfs/dbraw/zinc/99/64/59/680996459.db2.gz KLOSGUOOAUQWDE-ZETCQYMHSA-N -2 3 373.283 2.121 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)CC1CCCC1 ZINC000844785558 681082099 /nfs/dbraw/zinc/08/20/99/681082099.db2.gz JMZSQPDAGVAAKF-SNVBAGLBSA-N -2 3 364.826 2.434 20 0 FEADHL O=C([O-])[C@@H](CC[N-]S(=O)(=O)c1cccnc1Cl)Cc1ccccc1 ZINC000780284826 681811370 /nfs/dbraw/zinc/81/13/70/681811370.db2.gz BOHBMJQMQXFRBK-ZDUSSCGKSA-N -2 3 368.842 2.347 20 0 FEADHL O=C([O-])[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000780688052 681860530 /nfs/dbraw/zinc/86/05/30/681860530.db2.gz WHIVPAVTAVSPES-LLVKDONJSA-N -2 3 357.204 2.303 20 0 FEADHL 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/nfs/dbraw/zinc/69/51/13/559695113.db2.gz FURRVTCKGNMRNW-JTQLQIEISA-N -2 3 372.356 2.084 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1O ZINC000433612223 559884978 /nfs/dbraw/zinc/88/49/78/559884978.db2.gz JSNGFINJMUTERI-UHFFFAOYSA-N -2 3 374.415 2.012 20 0 FEADHL COc1cccc(C)c1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000435723829 559928898 /nfs/dbraw/zinc/92/88/98/559928898.db2.gz UXXCNOHTOJBYEJ-UHFFFAOYSA-N -2 3 350.396 2.468 20 0 FEADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436614621 559946562 /nfs/dbraw/zinc/94/65/62/559946562.db2.gz ZYTFWQAKWNEYOM-UHFFFAOYSA-N -2 3 372.402 2.411 20 0 FEADHL O=C(N=c1cc2ccc(Br)cn2[n-]1)C(=O)c1ccc([O-])cc1 ZINC000436625431 559946816 /nfs/dbraw/zinc/94/68/16/559946816.db2.gz OQYOTHGVFQJUGW-UHFFFAOYSA-N -2 3 360.167 2.624 20 0 FEADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000436690650 559948973 /nfs/dbraw/zinc/94/89/73/559948973.db2.gz IEDAYPKTQCQPRB-UHFFFAOYSA-N -2 3 351.380 2.152 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc1O ZINC000436767829 559951415 /nfs/dbraw/zinc/95/14/15/559951415.db2.gz GTMAGYQDNIJRIU-UHFFFAOYSA-N -2 3 355.343 2.050 20 0 FEADHL CC(C)(C)CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(=O)[O-] ZINC000449136007 560217575 /nfs/dbraw/zinc/21/75/75/560217575.db2.gz SWYBRUUOYWCXOQ-CYBMUJFWSA-N -2 3 356.444 2.067 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCCCF)c(F)c1 ZINC000451569351 560315348 /nfs/dbraw/zinc/31/53/48/560315348.db2.gz ROFDMTCPCNYFES-UHFFFAOYSA-N -2 3 370.443 2.005 20 0 FEADHL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1 ZINC000460445136 560743799 /nfs/dbraw/zinc/74/37/99/560743799.db2.gz DLYVKLWLVRUBAX-UHFFFAOYSA-N -2 3 362.407 2.477 20 0 FEADHL CC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000466274190 560883247 /nfs/dbraw/zinc/88/32/47/560883247.db2.gz PXYWUZKHHJNLAL-UHFFFAOYSA-N -2 3 362.407 2.130 20 0 FEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c(F)c1 ZINC000466273999 560883310 /nfs/dbraw/zinc/88/33/10/560883310.db2.gz RTYXEMFODQTVKO-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL CO[C@@H](CC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1)C(F)(F)F ZINC000469456235 560955792 /nfs/dbraw/zinc/95/57/92/560955792.db2.gz DQNZWSHFSFAOEA-ZETCQYMHSA-N -2 3 361.363 2.000 20 0 FEADHL CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000471967451 561015281 /nfs/dbraw/zinc/01/52/81/561015281.db2.gz ZQXDOJQSKCENEY-UHFFFAOYSA-N -2 3 362.432 2.401 20 0 FEADHL CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(C)c3)ccc21 ZINC000476775815 561128126 /nfs/dbraw/zinc/12/81/26/561128126.db2.gz PVCFEECJXNACEF-UHFFFAOYSA-N -2 3 374.418 2.403 20 0 FEADHL C[C@@H](CCC(=O)[O-])NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000540785066 562593049 /nfs/dbraw/zinc/59/30/49/562593049.db2.gz SZWCXVMHCPOGNN-QMMMGPOBSA-N -2 3 367.199 2.274 20 0 FEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CC1 ZINC000806636456 674384659 /nfs/dbraw/zinc/38/46/59/674384659.db2.gz OMEONCVGGCEELR-SECBINFHSA-N -2 3 371.308 2.256 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000737105810 598843804 /nfs/dbraw/zinc/84/38/04/598843804.db2.gz JPMZLFKIFBBMEY-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000737105810 598843807 /nfs/dbraw/zinc/84/38/07/598843807.db2.gz JPMZLFKIFBBMEY-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL O=S(=O)([N-]c1cc(Cl)c(Cl)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823583690 599235038 /nfs/dbraw/zinc/23/50/38/599235038.db2.gz YEGTTWCTZWYTIU-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1cc(Cl)c(Cl)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823583690 599235040 /nfs/dbraw/zinc/23/50/40/599235040.db2.gz YEGTTWCTZWYTIU-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822203440 607307315 /nfs/dbraw/zinc/30/73/15/607307315.db2.gz UFVVDRSCOJTKJR-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822203440 607307316 /nfs/dbraw/zinc/30/73/16/607307316.db2.gz UFVVDRSCOJTKJR-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL CCOCc1cccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000736626464 598330604 /nfs/dbraw/zinc/33/06/04/598330604.db2.gz OQIVXPWFUSNINT-UHFFFAOYSA-N -2 3 359.411 2.204 20 0 FEADHL CCOCc1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000736626464 598330605 /nfs/dbraw/zinc/33/06/05/598330605.db2.gz OQIVXPWFUSNINT-UHFFFAOYSA-N -2 3 359.411 2.204 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCOCC2)o1 ZINC000645952910 599769977 /nfs/dbraw/zinc/76/99/77/599769977.db2.gz ULLVQKWCNQOCPB-UHFFFAOYSA-N -2 3 365.407 2.005 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCN(C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000738828734 599861311 /nfs/dbraw/zinc/86/13/11/599861311.db2.gz CIHUYUCMLKVWEC-AWEZNQCLSA-N -2 3 371.397 2.422 20 0 FEADHL COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000735270434 600302312 /nfs/dbraw/zinc/30/23/12/600302312.db2.gz QBQBHCBMKZFMAA-UHFFFAOYSA-N -2 3 364.379 2.042 20 0 FEADHL O=C([O-])CCCOc1ccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000739687531 600506351 /nfs/dbraw/zinc/50/63/51/600506351.db2.gz NHMOTKYRSLTXKG-UHFFFAOYSA-N -2 3 368.345 2.066 20 0 FEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)o1 ZINC000740132194 600518066 /nfs/dbraw/zinc/51/80/66/600518066.db2.gz GKGPGMSRSASYGT-UHFFFAOYSA-N -2 3 351.167 2.158 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCOCC2)o1 ZINC000567045781 600796450 /nfs/dbraw/zinc/79/64/50/600796450.db2.gz CVPPCHUQNPNEJM-UHFFFAOYSA-N -2 3 369.370 2.101 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000645990017 600799175 /nfs/dbraw/zinc/79/91/75/600799175.db2.gz YCUJJQHWRJDXND-SECBINFHSA-N -2 3 353.400 2.105 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)cc1C(=O)[O-] ZINC000832956486 600813912 /nfs/dbraw/zinc/81/39/12/600813912.db2.gz GQBWMCIWNVQCIB-UHFFFAOYSA-N -2 3 360.435 2.482 20 0 FEADHL CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000671659184 600892007 /nfs/dbraw/zinc/89/20/07/600892007.db2.gz PMUGVTZWHQZMFR-UHFFFAOYSA-N -2 3 362.407 2.477 20 0 FEADHL CC(C)COCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000391105285 600992312 /nfs/dbraw/zinc/99/23/12/600992312.db2.gz CLQFZVYRJAJWIS-UHFFFAOYSA-N -2 3 351.371 2.004 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C2(c3ccccc3)CCOCC2)cc1C(=O)[O-] ZINC000574635065 601221166 /nfs/dbraw/zinc/22/11/66/601221166.db2.gz KCHUMVPMBJWEBK-UHFFFAOYSA-N -2 3 365.407 2.270 20 0 FEADHL C[C@H](COc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827525268 601231488 /nfs/dbraw/zinc/23/14/88/601231488.db2.gz RPQLTNVXXWWOAT-SNVBAGLBSA-N -2 3 371.361 2.409 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2F)c1F ZINC000392145111 601232480 /nfs/dbraw/zinc/23/24/80/601232480.db2.gz SRDWDDGVFQOVLL-UHFFFAOYSA-N -2 3 363.288 2.420 20 0 FEADHL CSc1nc(=O)[n-]c(C)c1C(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000327098097 601289341 /nfs/dbraw/zinc/28/93/41/601289341.db2.gz BADIZPCSIUKDEE-JTQLQIEISA-N -2 3 359.407 2.431 20 0 FEADHL Cc1nc(C)c(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000832994930 601732595 /nfs/dbraw/zinc/73/25/95/601732595.db2.gz RKDFCGZRQFELRM-AWEZNQCLSA-N -2 3 363.801 2.327 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c2ccccc2)c(F)cc1F ZINC000569063779 601835998 /nfs/dbraw/zinc/83/59/98/601835998.db2.gz DCZFHGZTQNJYDP-GFCCVEGCSA-N -2 3 355.362 2.420 20 0 FEADHL CCc1ccc(O)c([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000825717842 607535100 /nfs/dbraw/zinc/53/51/00/607535100.db2.gz RGMKCTBYFUZPDG-UHFFFAOYSA-N -2 3 359.411 2.244 20 0 FEADHL CCc1ccc(O)c([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000825717842 607535101 /nfs/dbraw/zinc/53/51/01/607535101.db2.gz RGMKCTBYFUZPDG-UHFFFAOYSA-N -2 3 359.411 2.244 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccsc2)c(Br)o1 ZINC000063153101 602145568 /nfs/dbraw/zinc/14/55/68/602145568.db2.gz DNGGSEDPOYLRMG-UHFFFAOYSA-N -2 3 366.214 2.280 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000832919864 602296292 /nfs/dbraw/zinc/29/62/92/602296292.db2.gz WYLRTYAQFIYOBW-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL O=C([O-])NCC1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCC1 ZINC000740621653 602564911 /nfs/dbraw/zinc/56/49/11/602564911.db2.gz YAAVGUVINIYKOV-UHFFFAOYSA-N -2 3 350.799 2.338 20 0 FEADHL CC(C)C[C@H](CNC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000738811889 602566954 /nfs/dbraw/zinc/56/69/54/602566954.db2.gz PDQLMSRRGLDSKK-MRVPVSSYSA-N -2 3 370.258 2.349 20 0 FEADHL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000740713431 602646907 /nfs/dbraw/zinc/64/69/07/602646907.db2.gz WIJOCDRADAZPSX-UHFFFAOYSA-N -3 3 354.315 2.415 20 0 FEADHL C[C@](CNC(=O)[O-])([N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CC1 ZINC000738927149 602708138 /nfs/dbraw/zinc/70/81/38/602708138.db2.gz UVROIMNCAHDSID-CYBMUJFWSA-N -2 3 350.799 2.194 20 0 FEADHL O=C([O-])N1CCCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000740520765 602866695 /nfs/dbraw/zinc/86/66/95/602866695.db2.gz UNNZZEQMMRAJOI-QMMMGPOBSA-N -2 3 368.242 2.199 20 0 FEADHL O=C([O-])NC[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)C1CCCCC1 ZINC000740613682 602880841 /nfs/dbraw/zinc/88/08/41/602880841.db2.gz OVCSCBCZDKHPOZ-LLVKDONJSA-N -2 3 361.851 2.230 20 0 FEADHL O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000739928885 603239213 /nfs/dbraw/zinc/23/92/13/603239213.db2.gz YXAODWCFOFGISB-QMMMGPOBSA-N -2 3 353.227 2.414 20 0 FEADHL CC(=O)Nc1ccc([O-])c(C(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)c1 ZINC000823611642 603606969 /nfs/dbraw/zinc/60/69/69/603606969.db2.gz RSUCYKDDYOEZBJ-CQSZACIVSA-N -2 3 351.403 2.105 20 0 FEADHL C[C@@H](NC(=O)[O-])c1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000825422295 604002142 /nfs/dbraw/zinc/00/21/42/604002142.db2.gz HHADBNLNJBAHKP-LLVKDONJSA-N -2 3 357.366 2.089 20 0 FEADHL CN(CCNC(=O)[O-])Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000828329743 604363378 /nfs/dbraw/zinc/36/33/78/604363378.db2.gz KQFCAPQNHCFRBM-UHFFFAOYSA-N -2 3 363.439 2.187 20 0 FEADHL Cc1nc(C)c(CCC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c(=O)[n-]1 ZINC000833754656 604861000 /nfs/dbraw/zinc/86/10/00/604861000.db2.gz AKIBGUONOSZUOU-OAHLLOKOSA-N -2 3 355.394 2.337 20 0 FEADHL CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1 ZINC000833388032 605184511 /nfs/dbraw/zinc/18/45/11/605184511.db2.gz GENUVNFRILWVFD-UHFFFAOYSA-N -2 3 362.407 2.477 20 0 FEADHL O=C(CN1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1)[N-]OCc1ccccc1 ZINC000834008223 605807499 /nfs/dbraw/zinc/80/74/99/605807499.db2.gz TVFSFKODMZEOTF-DLBZAZTESA-N -2 3 361.442 2.089 20 0 FEADHL O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1nnc2ccccc2c1[O-] ZINC000834162404 606003776 /nfs/dbraw/zinc/00/37/76/606003776.db2.gz VGKYNZSFCKDTBZ-QOARYFPJSA-N -2 3 370.409 2.280 20 0 FEADHL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)c[nH]1 ZINC000820202034 606162881 /nfs/dbraw/zinc/16/28/81/606162881.db2.gz DYUIOKHRGYCNTG-UHFFFAOYSA-N -2 3 367.822 2.167 20 0 FEADHL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)c[nH]1 ZINC000820202034 606162882 /nfs/dbraw/zinc/16/28/82/606162882.db2.gz DYUIOKHRGYCNTG-UHFFFAOYSA-N -2 3 367.822 2.167 20 0 FEADHL Cc1ccc(C=CS(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000822233660 606337388 /nfs/dbraw/zinc/33/73/88/606337388.db2.gz SNVZNWVTTPHPDZ-CMDGGOBGSA-N -2 3 357.395 2.293 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cnc1Cl ZINC000822209592 606638270 /nfs/dbraw/zinc/63/82/70/606638270.db2.gz PCRGGISRDBCTPE-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=C(CNc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000823009709 606832179 /nfs/dbraw/zinc/83/21/79/606832179.db2.gz QPHJXLAYAAAJBT-UHFFFAOYSA-N -2 3 367.394 2.347 20 0 FEADHL Cc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822229684 606885052 /nfs/dbraw/zinc/88/50/52/606885052.db2.gz ZHVKKRAELCNAFJ-QMMMGPOBSA-N -2 3 369.353 2.086 20 0 FEADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC000826332686 608107948 /nfs/dbraw/zinc/10/79/48/608107948.db2.gz CTABAMFBAWOPIZ-UHFFFAOYSA-N -2 3 361.431 2.062 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492894 609264844 /nfs/dbraw/zinc/26/48/44/609264844.db2.gz KCEOVHWWYLUQMU-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492894 609264846 /nfs/dbraw/zinc/26/48/46/609264846.db2.gz KCEOVHWWYLUQMU-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1C ZINC000561051158 674632413 /nfs/dbraw/zinc/63/24/13/674632413.db2.gz CEDCFJZRPJEGRI-UHFFFAOYSA-N -2 3 362.432 2.401 20 0 FEADHL COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000563075531 674845442 /nfs/dbraw/zinc/84/54/42/674845442.db2.gz IYHLVLFIYRBINM-UHFFFAOYSA-N -2 3 353.396 2.243 20 0 FEADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000563645827 674922168 /nfs/dbraw/zinc/92/21/68/674922168.db2.gz MTVXBJWXHVWNNV-SECBINFHSA-N -2 3 368.224 2.366 20 0 FEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000564563830 675037363 /nfs/dbraw/zinc/03/73/63/675037363.db2.gz REYVYVRZJTWIKU-UHFFFAOYSA-N -2 3 372.443 2.151 20 0 FEADHL CCCOc1ccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])c(C)c1 ZINC000564797342 675063149 /nfs/dbraw/zinc/06/31/49/675063149.db2.gz SWIZIDYPQLUSCR-UHFFFAOYSA-N -2 3 370.452 2.417 20 0 FEADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000564855805 675068886 /nfs/dbraw/zinc/06/88/86/675068886.db2.gz IVRZSBDVTNQZRU-LJGSYFOKSA-N -2 3 368.636 2.244 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1)c1ccc(C)o1 ZINC000571332839 670857242 /nfs/dbraw/zinc/85/72/42/670857242.db2.gz YDDSZNHRSAGXQP-AWEZNQCLSA-N -2 3 371.386 2.400 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1 ZINC000572510003 671010777 /nfs/dbraw/zinc/01/07/77/671010777.db2.gz HEOQCPSVMJPTLX-LLVKDONJSA-N -2 3 374.340 2.247 20 0 FEADHL CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000572838831 671050767 /nfs/dbraw/zinc/05/07/67/671050767.db2.gz OZEGHZTZYOCNNX-RKDXNWHRSA-N -2 3 350.487 2.184 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000573023061 671072322 /nfs/dbraw/zinc/07/23/22/671072322.db2.gz UDJQHXNFQXVJDW-UHFFFAOYSA-N -2 3 358.828 2.359 20 0 FEADHL CC(C)c1ccc(OCC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000573562068 671137403 /nfs/dbraw/zinc/13/74/03/671137403.db2.gz XTRFTGRSOXYQNV-UHFFFAOYSA-N -2 3 353.396 2.459 20 0 FEADHL CC[C@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000574653428 671265195 /nfs/dbraw/zinc/26/51/95/671265195.db2.gz BRJOQJVBJXYHEM-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-])s1 ZINC000580623935 671821609 /nfs/dbraw/zinc/82/16/09/671821609.db2.gz CHJTXDUGGIRSTL-RQJHMYQMSA-N -2 3 356.263 2.207 20 0 FEADHL CCC[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000679098056 672465838 /nfs/dbraw/zinc/46/58/38/672465838.db2.gz QWDTVHXVLHEPSC-NSHDSACASA-N -2 3 367.199 2.274 20 0 FEADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(C)cc3cccnc32)n[n-]1 ZINC000613095139 676111000 /nfs/dbraw/zinc/11/10/00/676111000.db2.gz FQYPYEZJMYNMMM-UHFFFAOYSA-N -2 3 360.395 2.244 20 0 FEADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000466337010 673309723 /nfs/dbraw/zinc/30/97/23/673309723.db2.gz JFVPWXHSVAWWMN-MLGOLLRUSA-N -2 3 360.211 2.209 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2NC(=O)N(C)C)c1 ZINC000540498379 673543495 /nfs/dbraw/zinc/54/34/95/673543495.db2.gz XZIIWMOCBJWLBC-UHFFFAOYSA-N -2 3 365.411 2.295 20 0 FEADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000542008081 673558954 /nfs/dbraw/zinc/55/89/54/673558954.db2.gz JYFNHCHXBLJMCJ-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL CCOC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](OCC)C2CC2)c([O-])c1 ZINC000600650309 673785621 /nfs/dbraw/zinc/78/56/21/673785621.db2.gz HPECKWQPRLTKGM-OAHLLOKOSA-N -2 3 357.428 2.126 20 0 FEADHL Cc1ccc([C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])cc1 ZINC000547557097 673863224 /nfs/dbraw/zinc/86/32/24/673863224.db2.gz ISINUDPJJNEDET-AWEZNQCLSA-N -2 3 368.342 2.147 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1ccccn1 ZINC000548209960 673935122 /nfs/dbraw/zinc/93/51/22/673935122.db2.gz VJQXLYYKVZWAQA-VIFPVBQESA-N -2 3 360.844 2.018 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cncc(Cl)c1)c1c(F)cccc1F ZINC000548265312 673945369 /nfs/dbraw/zinc/94/53/69/673945369.db2.gz AAAHRGPWCQHSHR-LBPRGKRZSA-N -2 3 362.741 2.117 20 0 FEADHL CCn1nccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Br ZINC000548553980 673970659 /nfs/dbraw/zinc/97/06/59/673970659.db2.gz FIVINVPQHHTRBZ-UHFFFAOYSA-N -2 3 374.216 2.165 20 0 FEADHL Cn1cnc2cc(S(=O)(=O)[N-]c3cc(F)cc(C(=O)[O-])c3F)ccc21 ZINC000548589134 673977002 /nfs/dbraw/zinc/97/70/02/673977002.db2.gz DBPWSELYQRVKNO-UHFFFAOYSA-N -2 3 367.333 2.351 20 0 FEADHL C[C@H]1CCC[C@]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)(C(=O)[O-])C1 ZINC000548836904 674000162 /nfs/dbraw/zinc/00/01/62/674000162.db2.gz AVUHMGUFPKFEGT-TVQRCGJNSA-N -2 3 366.361 2.412 20 0 FEADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)on1 ZINC000568746987 675397766 /nfs/dbraw/zinc/39/77/66/675397766.db2.gz XYSALMRSICLAFC-UHFFFAOYSA-N -2 3 353.400 2.150 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C)nc1Cl ZINC000821090485 675412869 /nfs/dbraw/zinc/41/28/69/675412869.db2.gz ZEYPTOOAXVNSKW-UHFFFAOYSA-N -2 3 356.787 2.336 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000645957681 677275807 /nfs/dbraw/zinc/27/58/07/677275807.db2.gz VOUCLNLYPMYGBG-GFCCVEGCSA-N -2 3 355.343 2.309 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C1(c2ccccc2F)CCC1 ZINC000646060270 677278322 /nfs/dbraw/zinc/27/83/22/677278322.db2.gz JMOLAKXMFYGGRH-UHFFFAOYSA-N -2 3 356.400 2.338 20 0 FEADHL COC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761304960 680718580 /nfs/dbraw/zinc/71/85/80/680718580.db2.gz LEKVGHAYRXQJGM-UHFFFAOYSA-N -2 3 356.227 2.395 20 0 FEADHL CCCCOCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761238312 680716346 /nfs/dbraw/zinc/71/63/46/680716346.db2.gz RVVPIBPBJAGZBH-UHFFFAOYSA-N -2 3 351.371 2.148 20 0 FEADHL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000656164479 677716765 /nfs/dbraw/zinc/71/67/65/677716765.db2.gz LWBKQLFNQALHNJ-QMMMGPOBSA-N -2 3 374.615 2.194 20 0 FEADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-])C1CC1 ZINC000656169432 677719449 /nfs/dbraw/zinc/71/94/49/677719449.db2.gz OVZLKBCXIIHXJS-QWRGUYRKSA-N -2 3 365.810 2.026 20 0 FEADHL Cc1nc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)c(-c2ccccc2)s1 ZINC000663292140 678716573 /nfs/dbraw/zinc/71/65/73/678716573.db2.gz UMCSBOYILSXTOK-HAQNSBGRSA-N -2 3 352.437 2.260 20 0 FEADHL CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000757658307 680530759 /nfs/dbraw/zinc/53/07/59/680530759.db2.gz YRTOBXPEBBPPDE-UHFFFAOYSA-N -2 3 362.407 2.477 20 0 FEADHL C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(Cl)ccc2[O-])C1=O ZINC000785645191 682314393 /nfs/dbraw/zinc/31/43/93/682314393.db2.gz GKJFWSRYDFCYQQ-KRWDZBQOSA-N -2 3 359.769 2.158 20 0 FEADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(F)cc1F ZINC000921165642 683402304 /nfs/dbraw/zinc/40/23/04/683402304.db2.gz SGRKBWNPRNVHNK-UHFFFAOYSA-N -2 3 370.333 2.422 20 0 FEADHL C[C@@](CC(=O)[O-])([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CC1 ZINC000871997043 684908214 /nfs/dbraw/zinc/90/82/14/684908214.db2.gz OOBZZXMHRPFDHA-LBPRGKRZSA-N -2 3 352.334 2.022 20 0 FEADHL O=C([O-])c1cnc([C@H]2CCN(C(=O)Cc3ccc([O-])c(F)c3)C2)s1 ZINC000911037906 685154831 /nfs/dbraw/zinc/15/48/31/685154831.db2.gz UTFJNGLOQKQQTM-JTQLQIEISA-N -2 3 350.371 2.245 20 0 FEADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1ccccc1CF ZINC000903706824 690964833 /nfs/dbraw/zinc/96/48/33/690964833.db2.gz OASMVIWKFIHCIB-STQMWFEESA-N -2 3 362.323 2.252 20 0 FEADHL COC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000909710828 691847763 /nfs/dbraw/zinc/84/77/63/691847763.db2.gz YUCFQZGDTIHAOA-OAHLLOKOSA-N -2 3 361.316 2.364 20 0 FEADHL Cc1cccc(OCC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000008029718 539475585 /nfs/dbraw/zinc/47/55/85/539475585.db2.gz UOEMXTNCXAFQLW-UHFFFAOYSA-N -2 3 353.371 2.190 20 0 FEADHL O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1ccccc1F ZINC000013027112 539582537 /nfs/dbraw/zinc/58/25/37/539582537.db2.gz QEYMZBNNLWAUHT-HNNXBMFYSA-N -2 3 362.382 2.281 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000013347695 539586785 /nfs/dbraw/zinc/58/67/85/539586785.db2.gz XXTXVJLDPQKANZ-LBPRGKRZSA-N -2 3 368.342 2.228 20 0 FEADHL CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2ccccc2F)ccc1F ZINC000029403369 539852537 /nfs/dbraw/zinc/85/25/37/539852537.db2.gz UQDVBNRXFYYBKZ-UHFFFAOYSA-N -2 3 362.379 2.137 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C1CC1 ZINC000054504892 540592924 /nfs/dbraw/zinc/59/29/24/540592924.db2.gz NMNYTUQENRDEOY-JTQLQIEISA-N -2 3 368.636 2.244 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1C(=O)[O-] ZINC000055587052 540661163 /nfs/dbraw/zinc/66/11/63/540661163.db2.gz PRRQKWIXCYEMBT-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL Cc1ccc2cccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)[N-]C4=O)c2n1 ZINC000068216459 541564436 /nfs/dbraw/zinc/56/44/36/541564436.db2.gz OEDWRPFNJSVKKZ-UHFFFAOYSA-N -2 3 367.386 2.228 20 0 FEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000112266543 543437005 /nfs/dbraw/zinc/43/70/05/543437005.db2.gz ANWCSTQFYXTUFK-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000112266543 543437007 /nfs/dbraw/zinc/43/70/07/543437007.db2.gz ANWCSTQFYXTUFK-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000122925382 543731721 /nfs/dbraw/zinc/73/17/21/543731721.db2.gz SVTWWFFUMPUHIA-UHFFFAOYSA-N -2 3 367.793 2.384 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000122925382 543731724 /nfs/dbraw/zinc/73/17/24/543731724.db2.gz SVTWWFFUMPUHIA-UHFFFAOYSA-N -2 3 367.793 2.384 20 0 FEADHL CCc1n[n-]c([N-]C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)n1 ZINC000122937440 543732199 /nfs/dbraw/zinc/73/21/99/543732199.db2.gz WOELPNFNWWKRKH-UHFFFAOYSA-N -2 3 369.282 2.358 20 0 FEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccccc2Br)o1 ZINC000124725487 543839155 /nfs/dbraw/zinc/83/91/55/543839155.db2.gz DEDBMROYOGDUNE-UHFFFAOYSA-N -2 3 360.185 2.219 20 0 FEADHL C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000133433885 544269850 /nfs/dbraw/zinc/26/98/50/544269850.db2.gz BSJLFCXHDWYTLZ-RITPCOANSA-N -2 3 354.247 2.143 20 0 FEADHL CSCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000036965431 324490555 /nfs/dbraw/zinc/49/05/55/324490555.db2.gz JTBTXPFNUSCVMN-MRVPVSSYSA-N -2 3 358.268 2.478 20 0 FEADHL C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077383467 324989912 /nfs/dbraw/zinc/98/99/12/324989912.db2.gz PFZMTXPXAHYSHD-GXFFZTMASA-N -2 3 364.464 2.054 20 0 FEADHL O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cc(F)ccc1[O-] ZINC000091732407 325390997 /nfs/dbraw/zinc/39/09/97/325390997.db2.gz KIVARYVLHURISZ-UHFFFAOYSA-N -2 3 368.361 2.363 20 0 FEADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000136732661 326654973 /nfs/dbraw/zinc/65/49/73/326654973.db2.gz ZEUQEWQJCPXZDW-JTQLQIEISA-N -2 3 365.249 2.012 20 0 FEADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161814329 327009876 /nfs/dbraw/zinc/00/98/76/327009876.db2.gz DSHQKMOUNHCQTF-SECBINFHSA-N -2 3 368.224 2.223 20 0 FEADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)C(=O)[O-] ZINC000262697324 328881848 /nfs/dbraw/zinc/88/18/48/328881848.db2.gz XZZJHRRTMKFABP-LLVKDONJSA-N -2 3 363.819 2.048 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1)c1ccc(C)o1 ZINC000273626660 329880095 /nfs/dbraw/zinc/88/00/95/329880095.db2.gz BSEOAVAXMOOTSJ-ZDUSSCGKSA-N -2 3 371.386 2.400 20 0 FEADHL O=C([O-])c1ccc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000274957922 329996657 /nfs/dbraw/zinc/99/66/57/329996657.db2.gz HFNMQNZTIUTXKG-UHFFFAOYSA-N -2 3 366.464 2.394 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)c(SCCC(=O)[O-])c1 ZINC000274987936 329999698 /nfs/dbraw/zinc/99/96/98/329999698.db2.gz YPTYNAGLFZIQIK-GFCCVEGCSA-N -2 3 359.469 2.483 20 0 FEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1 ZINC000274999814 330000830 /nfs/dbraw/zinc/00/08/30/330000830.db2.gz ALICXZGKYQQXMT-UHFFFAOYSA-N -2 3 363.867 2.085 20 0 FEADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000275237883 330025216 /nfs/dbraw/zinc/02/52/16/330025216.db2.gz JWEWQGORRPDZFY-KYZUINATSA-N -2 3 351.346 2.273 20 0 FEADHL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)[C@@H]2CCCOC2)c1 ZINC000275282273 330030199 /nfs/dbraw/zinc/03/01/99/330030199.db2.gz OJCMQNZJKUOLGU-LLVKDONJSA-N -2 3 364.217 2.068 20 0 FEADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2ccc(C)cc2F)(C(=O)[O-])C1(C)C ZINC000275661885 330075530 /nfs/dbraw/zinc/07/55/30/330075530.db2.gz PCFOZCPVVKWQNK-CZUORRHYSA-N -2 3 359.419 2.071 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-])c1Cl ZINC000275770444 330087072 /nfs/dbraw/zinc/08/70/72/330087072.db2.gz SWIDEHYDPVSVRF-CYBMUJFWSA-N -2 3 370.254 2.053 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCSC2)c(Cl)cc1Cl ZINC000231346213 518201557 /nfs/dbraw/zinc/20/15/57/518201557.db2.gz KCXWZFCENGMLGW-ZCFIWIBFSA-N -2 3 356.252 2.475 20 0 FEADHL Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F)OCO2 ZINC000479277645 561186408 /nfs/dbraw/zinc/18/64/08/561186408.db2.gz IUUFKXFQEXOWMO-UHFFFAOYSA-N -2 3 353.327 2.362 20 0 FEADHL COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000479547625 561191696 /nfs/dbraw/zinc/19/16/96/561191696.db2.gz VKJJDFUMUMHLHK-UHFFFAOYSA-N -2 3 355.343 2.099 20 0 FEADHL CCc1nc(C[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)cs1 ZINC000185015214 547918185 /nfs/dbraw/zinc/91/81/85/547918185.db2.gz HZRJXNUKRSLJNC-UHFFFAOYSA-N -2 3 358.416 2.330 20 0 FEADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)C2CC2)s1 ZINC000185069037 547927411 /nfs/dbraw/zinc/92/74/11/547927411.db2.gz LRTIZDZJOYQKEF-LBPRGKRZSA-N -2 3 356.425 2.481 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]CCSCC(=O)[O-])c(Cl)c1Cl ZINC000274976784 550568715 /nfs/dbraw/zinc/56/87/15/550568715.db2.gz JENCNSCUIJXUHA-UHFFFAOYSA-N -2 3 374.267 2.098 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)cnc1Cl ZINC000285281440 551731356 /nfs/dbraw/zinc/73/13/56/551731356.db2.gz WRCWSLFMGWWRIG-MRVPVSSYSA-N -2 3 374.768 2.365 20 0 FEADHL COCC(C)(C)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000287048458 551956230 /nfs/dbraw/zinc/95/62/30/551956230.db2.gz ILZYTNFQYYZVID-UHFFFAOYSA-N -2 3 365.398 2.394 20 0 FEADHL COc1ccc(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000290235059 552446571 /nfs/dbraw/zinc/44/65/71/552446571.db2.gz RJKSGFDQXPXKIC-BHDSKKPTSA-N -2 3 374.359 2.318 20 0 FEADHL CC(C)(C)CCS(=O)(=O)[N-]c1ccc(F)cc1[N-]S(C)(=O)=O ZINC000290495966 552488071 /nfs/dbraw/zinc/48/80/71/552488071.db2.gz JUJNQHZTPVBPLB-UHFFFAOYSA-N -2 3 352.453 2.375 20 0 FEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CCC(=O)[O-] ZINC000297189124 553261416 /nfs/dbraw/zinc/26/14/16/553261416.db2.gz LTOKBKLQTGBKNB-GHMZBOCLSA-N -2 3 363.867 2.084 20 0 FEADHL Cc1nc(C=Cc2cncc(Br)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504713593 561661625 /nfs/dbraw/zinc/66/16/25/561661625.db2.gz XNJGBDIFCWMENV-NSCUHMNNSA-N -2 3 350.172 2.446 20 0 FEADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000325361342 553775835 /nfs/dbraw/zinc/77/58/35/553775835.db2.gz DNAOCHDTKMVSNO-PWSUYJOCSA-N -2 3 360.363 2.046 20 0 FEADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(=O)[O-])c1 ZINC000325837642 553778336 /nfs/dbraw/zinc/77/83/36/553778336.db2.gz QMXVVPDCRURVBT-HNNXBMFYSA-N -2 3 351.399 2.498 20 0 FEADHL COCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000327682232 553790421 /nfs/dbraw/zinc/79/04/21/553790421.db2.gz OMODFWCTCHXHIN-UHFFFAOYSA-N -2 3 365.407 2.389 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c(C(=O)[O-])c1 ZINC000507614776 561735294 /nfs/dbraw/zinc/73/52/94/561735294.db2.gz DZTFAIHBUBXLEW-UHFFFAOYSA-N -2 3 350.396 2.260 20 0 FEADHL COC(=O)[C@H](CS(=O)(=O)[N-]c1cc(OC)ccc1[O-])c1ccccc1 ZINC000507890264 561744883 /nfs/dbraw/zinc/74/48/83/561744883.db2.gz QPFJYJQHJCHXAB-CQSZACIVSA-N -2 3 365.407 2.099 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1 ZINC000361901070 554937532 /nfs/dbraw/zinc/93/75/32/554937532.db2.gz SSAZXTSCRNBEQD-UHFFFAOYSA-N -3 3 359.363 2.281 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)nc1Cl ZINC000362957301 555002717 /nfs/dbraw/zinc/00/27/17/555002717.db2.gz DXRDCDCPMOZQAD-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)nc1Cl ZINC000362957301 555002718 /nfs/dbraw/zinc/00/27/18/555002718.db2.gz DXRDCDCPMOZQAD-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)C1CC1)C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000616331450 555292716 /nfs/dbraw/zinc/29/27/16/555292716.db2.gz DJJMSYNPJBSNJL-CQSZACIVSA-N -2 3 368.484 2.183 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2-c2nc[nH]n2)cc1 ZINC000365833567 555678500 /nfs/dbraw/zinc/67/85/00/555678500.db2.gz NOFJXKWGOWDEFG-UHFFFAOYSA-N -2 3 362.342 2.110 20 0 FEADHL Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)n1 ZINC000514601104 561969206 /nfs/dbraw/zinc/96/92/06/561969206.db2.gz ZNLFSDJUFPYDQW-SECBINFHSA-N -2 3 358.416 2.257 20 0 FEADHL CCOC[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000514638621 561970902 /nfs/dbraw/zinc/97/09/02/561970902.db2.gz IACUNTJGHJYFJU-JTQLQIEISA-N -2 3 363.844 2.323 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)c(F)cc1Br ZINC000514781881 561979178 /nfs/dbraw/zinc/97/91/78/561979178.db2.gz XUQSLFQNJAACJD-LLVKDONJSA-N -2 3 368.224 2.284 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)c2ccccc2)o1 ZINC000516056779 562029003 /nfs/dbraw/zinc/02/90/03/562029003.db2.gz ARXFFFBGFLOCOY-OCCSQVGLSA-N -2 3 365.407 2.424 20 0 FEADHL CC(C)c1nc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)cn1C ZINC000517014398 562071202 /nfs/dbraw/zinc/07/12/02/562071202.db2.gz REAVEGUCUZRMBS-LLVKDONJSA-N -2 3 357.457 2.099 20 0 FEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc3OC2)s1 ZINC000374547953 557897905 /nfs/dbraw/zinc/89/79/05/557897905.db2.gz FFIQGDLDSVUHKW-LBPRGKRZSA-N -2 3 367.448 2.047 20 0 FEADHL CCn1cc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)nc1C ZINC000392034461 558615573 /nfs/dbraw/zinc/61/55/73/558615573.db2.gz IYHQITWPRPEUIR-CQSZACIVSA-N -2 3 351.428 2.096 20 0 FEADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000392792495 558618930 /nfs/dbraw/zinc/61/89/30/558618930.db2.gz MCTCNHVVBYERPI-UHFFFAOYSA-N -3 3 371.317 2.470 20 0 FEADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000525958061 562261020 /nfs/dbraw/zinc/26/10/20/562261020.db2.gz VDIUMLVCNQHPJL-UHFFFAOYSA-N -2 3 365.285 2.355 20 0 FEADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000526059479 562265575 /nfs/dbraw/zinc/26/55/75/562265575.db2.gz RCTAJJOERXEQOH-SNVBAGLBSA-N -2 3 364.807 2.348 20 0 FEADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000526950862 562270587 /nfs/dbraw/zinc/27/05/87/562270587.db2.gz WURNBIOQPBRCLI-UHFFFAOYSA-N -2 3 365.285 2.355 20 0 FEADHL CC[C@@H](CS(=O)(=O)[N-]c1n[n-]c(SCc2ccccc2)n1)OC ZINC000421229634 559532445 /nfs/dbraw/zinc/53/24/45/559532445.db2.gz GYSSCNFSFVGNJL-LBPRGKRZSA-N -2 3 356.473 2.264 20 0 FEADHL C[C@H](Sc1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1)C(=O)[O-] ZINC000424060253 559653183 /nfs/dbraw/zinc/65/31/83/559653183.db2.gz CPTCNNUPNYCXAI-NSHDSACASA-N -2 3 359.469 2.420 20 0 FEADHL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)ccc1C(=O)[O-] ZINC000432761419 559864043 /nfs/dbraw/zinc/86/40/43/559864043.db2.gz UAWXAEOCSQOKRE-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000433518560 559883389 /nfs/dbraw/zinc/88/33/89/559883389.db2.gz QMURQNAJMHQCBX-UHFFFAOYSA-N -3 3 365.363 2.068 20 0 FEADHL O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)c1ccc(Cl)cc1[O-] ZINC000436620763 559946744 /nfs/dbraw/zinc/94/67/44/559946744.db2.gz WPPHNTVDZJWPEW-ZDUSSCGKSA-N -2 3 359.769 2.048 20 0 FEADHL C[C@]1(c2ccc(CNC(=O)c3ccc([O-])c(Cl)c3)cc2)NC(=O)[N-]C1=O ZINC000436699450 559949240 /nfs/dbraw/zinc/94/92/40/559949240.db2.gz RDTOEUUJBRLPKG-GOSISDBHSA-N -2 3 373.796 2.030 20 0 FEADHL O=C(Nc1ncccc1[O-])c1cccc(C(=O)Nc2ncccc2[O-])c1[O-] ZINC000436702662 559949448 /nfs/dbraw/zinc/94/94/48/559949448.db2.gz BFSMGJDPIYBATQ-UHFFFAOYSA-N -3 3 366.333 2.098 20 0 FEADHL O=C(Nc1ncccc1[O-])c1cccc(C(=O)Nc2ncccc2O)c1[O-] ZINC000436702662 559949449 /nfs/dbraw/zinc/94/94/49/559949449.db2.gz BFSMGJDPIYBATQ-UHFFFAOYSA-N -2 3 366.333 2.098 20 0 FEADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)no1 ZINC000436884402 559955410 /nfs/dbraw/zinc/95/54/10/559955410.db2.gz BXKPHLGAGOWPCM-UHFFFAOYSA-N -2 3 354.384 2.318 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c(F)cc1F ZINC000440294576 560008295 /nfs/dbraw/zinc/00/82/95/560008295.db2.gz RRSIVZQPCDTLSR-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c(F)cc1F ZINC000440294576 560008296 /nfs/dbraw/zinc/00/82/96/560008296.db2.gz RRSIVZQPCDTLSR-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(OC)c1 ZINC000442836463 560059216 /nfs/dbraw/zinc/05/92/16/560059216.db2.gz ICYJQVQOMQKDCR-UHFFFAOYSA-N -2 3 355.343 2.127 20 0 FEADHL Cc1ccc(F)c(-c2cc(=NC(=O)CNC(=O)c3cccc([O-])c3)[nH][n-]2)c1 ZINC000444775961 560120596 /nfs/dbraw/zinc/12/05/96/560120596.db2.gz BMUSCUHEYYTCHP-UHFFFAOYSA-N -2 3 368.368 2.598 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCC(C)C)c(F)c1 ZINC000450968715 560280505 /nfs/dbraw/zinc/28/05/05/560280505.db2.gz NJRURBWOBGNLLB-UHFFFAOYSA-N -2 3 366.480 2.302 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1CCCC1 ZINC000452076024 560349771 /nfs/dbraw/zinc/34/97/71/560349771.db2.gz YMOSGORSTYXNSS-JTQLQIEISA-N -2 3 364.464 2.054 20 0 FEADHL CO[C@@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)CC(=O)[O-] ZINC000530435264 562411185 /nfs/dbraw/zinc/41/11/85/562411185.db2.gz MBHNFKIXHVKTPT-SNVBAGLBSA-N -2 3 363.844 2.323 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1C(=O)N(C)C ZINC000535766866 562567388 /nfs/dbraw/zinc/56/73/88/562567388.db2.gz ARVVJFAOZZYPFB-UHFFFAOYSA-N -2 3 368.386 2.043 20 0 FEADHL CCc1nc2cc(S(=O)(=O)[N-]c3cccc(-c4nnn[n-]4)c3)ccc2o1 ZINC000542002707 562625471 /nfs/dbraw/zinc/62/54/71/562625471.db2.gz BMZXJQHKTLRWCZ-UHFFFAOYSA-N -2 3 370.394 2.371 20 0 FEADHL CCc1nc2cc(S(=O)(=O)[N-]c3cccc(-c4nn[n-]n4)c3)ccc2o1 ZINC000542002707 562625472 /nfs/dbraw/zinc/62/54/72/562625472.db2.gz BMZXJQHKTLRWCZ-UHFFFAOYSA-N -2 3 370.394 2.371 20 0 FEADHL C[C@H]1CCc2c(sc(NC(=O)CC(C)(C)C(=O)[O-])c2-c2nnn[n-]2)C1 ZINC000736278964 599099748 /nfs/dbraw/zinc/09/97/48/599099748.db2.gz IFCLCYLAOGZWDQ-QMMMGPOBSA-N -2 3 363.443 2.492 20 0 FEADHL C[C@H]1CCc2c(sc(NC(=O)CC(C)(C)C(=O)[O-])c2-c2nn[n-]n2)C1 ZINC000736278964 599099751 /nfs/dbraw/zinc/09/97/51/599099751.db2.gz IFCLCYLAOGZWDQ-QMMMGPOBSA-N -2 3 363.443 2.492 20 0 FEADHL CS(=O)(=O)[N-]c1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)ccc1F ZINC000738163455 599748808 /nfs/dbraw/zinc/74/88/08/599748808.db2.gz FCUNALWPLKYCCD-AWEZNQCLSA-N -2 3 367.354 2.180 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)c([O-])c1 ZINC000738515169 599789012 /nfs/dbraw/zinc/78/90/12/599789012.db2.gz QVRBVRKFBUWPAP-NSHDSACASA-N -2 3 361.350 2.416 20 0 FEADHL O=C([O-])c1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000020436221 599939496 /nfs/dbraw/zinc/93/94/96/599939496.db2.gz UDZLPFUFJRLIDW-UHFFFAOYSA-N -2 3 361.828 2.457 20 0 FEADHL O=Cc1ccc(OC(F)(F)C(=O)[N-][C@H](C(=O)[O-])c2cccs2)cc1 ZINC000740317907 600066794 /nfs/dbraw/zinc/06/67/94/600066794.db2.gz HJBMKECHYKOALO-LBPRGKRZSA-N -2 3 355.318 2.474 20 0 FEADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000737691130 600094227 /nfs/dbraw/zinc/09/42/27/600094227.db2.gz LNWLYPGYVCDXFO-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL O=C([O-])C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(F)cc1 ZINC000738561552 600166131 /nfs/dbraw/zinc/16/61/31/600166131.db2.gz LMWFIUGLNJLNFV-CQSZACIVSA-N -2 3 355.325 2.420 20 0 FEADHL COC(=O)C1([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCCCCC1 ZINC000737580168 600222694 /nfs/dbraw/zinc/22/26/94/600222694.db2.gz KVZLVHTYBDNXMH-UHFFFAOYSA-N -2 3 369.439 2.070 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(Br)cc2)o1 ZINC000314652818 600322495 /nfs/dbraw/zinc/32/24/95/600322495.db2.gz HISLORYYSWHRQH-UHFFFAOYSA-N -2 3 374.212 2.261 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000738689662 600693759 /nfs/dbraw/zinc/69/37/59/600693759.db2.gz IYEUUPIJQZPVGA-UHFFFAOYSA-N -2 3 362.363 2.142 20 0 FEADHL COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000567797820 600763873 /nfs/dbraw/zinc/76/38/73/600763873.db2.gz BULJGICJKOHKNV-LLVKDONJSA-N -2 3 353.396 2.459 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000578353502 600800248 /nfs/dbraw/zinc/80/02/48/600800248.db2.gz IEXSTVZCLSJIGO-SNVBAGLBSA-N -2 3 367.427 2.034 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2ccccc2F)c1F ZINC000323910980 600990730 /nfs/dbraw/zinc/99/07/30/600990730.db2.gz FSEBLZIVNXBYKP-UHFFFAOYSA-N -2 3 359.325 2.323 20 0 FEADHL O=C([O-])C[C@H]1CSCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000833223473 601016397 /nfs/dbraw/zinc/01/63/97/601016397.db2.gz PBDSACZQPKYXIP-JTQLQIEISA-N -2 3 359.407 2.474 20 0 FEADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000832795138 601197279 /nfs/dbraw/zinc/19/72/79/601197279.db2.gz VONATFUFSCOQOW-UHFFFAOYSA-N -2 3 363.395 2.237 20 0 FEADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C2CC2)n1 ZINC000570840099 601223078 /nfs/dbraw/zinc/22/30/78/601223078.db2.gz VRKGXMMOGMLEEP-LBPRGKRZSA-N -2 3 356.425 2.481 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)COCc2ccccc2)cc1C(=O)[O-] ZINC000833027630 601223480 /nfs/dbraw/zinc/22/34/80/601223480.db2.gz ICRBTEKWOZJJOU-NSHDSACASA-N -2 3 353.396 2.170 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Oc1ccccc1 ZINC000827507644 601236063 /nfs/dbraw/zinc/23/60/63/601236063.db2.gz NKPQUXXOWXJNMA-SNVBAGLBSA-N -2 3 371.361 2.409 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCSC(F)(F)F)cc(F)c1F ZINC000833304467 601571986 /nfs/dbraw/zinc/57/19/86/601571986.db2.gz LIKCIPMCASDTKQ-UHFFFAOYSA-N -2 3 365.301 2.194 20 0 FEADHL O=C([O-])CCCc1csc(NC(=O)c2nnc3ccccc3c2[O-])n1 ZINC000833230120 601783502 /nfs/dbraw/zinc/78/35/02/601783502.db2.gz YYMYRXPDIUZZAK-UHFFFAOYSA-N -2 3 358.379 2.452 20 0 FEADHL Cc1cc(=O)[n-]c(CS[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)n1 ZINC000832898894 601957866 /nfs/dbraw/zinc/95/78/66/601957866.db2.gz FVHOYSCQIUJZSS-SNVBAGLBSA-N -2 3 365.436 2.289 20 0 FEADHL CCc1ncsc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825754895 607535889 /nfs/dbraw/zinc/53/58/89/607535889.db2.gz IVXBZZVICGNRNS-UHFFFAOYSA-N -2 3 370.847 2.340 20 0 FEADHL CCc1ncsc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825754895 607535890 /nfs/dbraw/zinc/53/58/90/607535890.db2.gz IVXBZZVICGNRNS-UHFFFAOYSA-N -2 3 370.847 2.340 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@H]2C(=O)[O-])oc1C ZINC000547937588 601991497 /nfs/dbraw/zinc/99/14/97/601991497.db2.gz BHUPSUJXEFUESW-DGCLKSJQSA-N -2 3 373.427 2.077 20 0 FEADHL CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000739238735 602138942 /nfs/dbraw/zinc/13/89/42/602138942.db2.gz TZLXWLNSCRRERF-BONVTDFDSA-N -2 3 358.398 2.366 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833022926 602218521 /nfs/dbraw/zinc/21/85/21/602218521.db2.gz MFDLXMGKYRWZOA-AWEZNQCLSA-N -2 3 352.412 2.422 20 0 FEADHL CCc1cc(=O)[n-]c(CN2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)n1 ZINC000830224163 602235656 /nfs/dbraw/zinc/23/56/56/602235656.db2.gz GQNLWTIZCZMLQQ-ZDUSSCGKSA-N -2 3 356.426 2.154 20 0 FEADHL Cc1cc(=O)[n-]c(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)n1 ZINC000832900063 602312680 /nfs/dbraw/zinc/31/26/80/602312680.db2.gz XMJOZQNHZHINGR-ZDUSSCGKSA-N -2 3 352.188 2.169 20 0 FEADHL O=C([O-])N1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000740508204 602568167 /nfs/dbraw/zinc/56/81/67/602568167.db2.gz WINSKZKBMWWQPV-MRVPVSSYSA-N -2 3 372.752 2.389 20 0 FEADHL O=C([O-])NC1CCC([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000740560106 603086266 /nfs/dbraw/zinc/08/62/66/603086266.db2.gz USULUYNPMOHYAS-UHFFFAOYSA-N -2 3 368.242 2.246 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@H](C)NC(=O)[O-])s1 ZINC000829899488 603110186 /nfs/dbraw/zinc/11/01/86/603110186.db2.gz GVFGLHYEDCTWIM-LURJTMIESA-N -2 3 371.278 2.144 20 0 FEADHL O=C([O-])NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000832483344 603130629 /nfs/dbraw/zinc/13/06/29/603130629.db2.gz RLUBRYXPNNTSNW-JGVFFNPUSA-N -2 3 368.242 2.103 20 0 FEADHL COc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1-c1nnn[n-]1 ZINC000826201555 607609141 /nfs/dbraw/zinc/60/91/41/607609141.db2.gz WPNZTKYHEWIZMA-UHFFFAOYSA-N -2 3 359.773 2.164 20 0 FEADHL C[C@H](NC(=O)[O-])c1ccc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000825403405 604281687 /nfs/dbraw/zinc/28/16/87/604281687.db2.gz WOLGGFUNRBDNFU-OOIIIRTPSA-N -2 3 365.389 2.416 20 0 FEADHL CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000826102824 604389792 /nfs/dbraw/zinc/38/97/92/604389792.db2.gz JIYUWYXNJYDJNK-HNNXBMFYSA-N -2 3 366.373 2.152 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1CCN(C(=O)[O-])CC1 ZINC000829883238 604462790 /nfs/dbraw/zinc/46/27/90/604462790.db2.gz DBYHCZKIXQZOFA-UHFFFAOYSA-N -2 3 356.375 2.301 20 0 FEADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)c1 ZINC000327312686 605012554 /nfs/dbraw/zinc/01/25/54/605012554.db2.gz RBZDSVWDSJDCES-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL O=C([O-])NC1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000832376167 605191532 /nfs/dbraw/zinc/19/15/32/605191532.db2.gz RTKBXRQYNWVWBV-UHFFFAOYSA-N -2 3 372.219 2.096 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c(C)c1 ZINC000822266738 606751289 /nfs/dbraw/zinc/75/12/89/606751289.db2.gz GFRLKLGKWVMJQI-UHFFFAOYSA-N -2 3 372.454 2.350 20 0 FEADHL CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000820882719 606760905 /nfs/dbraw/zinc/76/09/05/606760905.db2.gz YOGHLXNJEDKCJQ-UHFFFAOYSA-N -2 3 365.459 2.196 20 0 FEADHL CCC(CC)(CC)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000820882719 606760907 /nfs/dbraw/zinc/76/09/07/606760907.db2.gz YOGHLXNJEDKCJQ-UHFFFAOYSA-N -2 3 365.459 2.196 20 0 FEADHL Cc1ccccc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1-c1nn[n-]n1 ZINC000822366552 606821035 /nfs/dbraw/zinc/82/10/35/606821035.db2.gz MVKFZPUNPRETSO-UHFFFAOYSA-N -2 3 358.427 2.042 20 0 FEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822240147 606864704 /nfs/dbraw/zinc/86/47/04/606864704.db2.gz UOPGZHGMTMCSSN-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822240147 606864706 /nfs/dbraw/zinc/86/47/06/606864706.db2.gz UOPGZHGMTMCSSN-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL CC(C)CC[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820072282 606882422 /nfs/dbraw/zinc/88/24/22/606882422.db2.gz DLLYSIZFKHZVLJ-VIFPVBQESA-N -2 3 359.402 2.248 20 0 FEADHL CC1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCCC1 ZINC000820623421 606885817 /nfs/dbraw/zinc/88/58/17/606885817.db2.gz PTARXZAPOMJDEZ-UHFFFAOYSA-N -2 3 357.386 2.146 20 0 FEADHL O=C([O-])CCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826461105 607833582 /nfs/dbraw/zinc/83/35/82/607833582.db2.gz GJKHRHLPPHCCTR-UHFFFAOYSA-N -2 3 353.338 2.462 20 0 FEADHL O=C([O-])CCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000826461105 607833583 /nfs/dbraw/zinc/83/35/83/607833583.db2.gz GJKHRHLPPHCCTR-UHFFFAOYSA-N -2 3 353.338 2.462 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cc(F)cc(Cl)c1 ZINC000826492581 607880194 /nfs/dbraw/zinc/88/01/94/607880194.db2.gz SDNOAKBBRKVZGU-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL O=S(=O)([N-]c1ccc(C(F)(F)F)nc1)c1ccccc1-c1nnn[n-]1 ZINC000826492647 608054512 /nfs/dbraw/zinc/05/45/12/608054512.db2.gz WIXHQFKAXXASLR-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL O=S(=O)([N-]c1ccc(C(F)(F)F)nc1)c1ccccc1-c1nn[n-]n1 ZINC000826492647 608054513 /nfs/dbraw/zinc/05/45/13/608054513.db2.gz WIXHQFKAXXASLR-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1O ZINC000826291786 609528947 /nfs/dbraw/zinc/52/89/47/609528947.db2.gz WBCYIQSZRVKKSI-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1O ZINC000826291786 609528949 /nfs/dbraw/zinc/52/89/49/609528949.db2.gz WBCYIQSZRVKKSI-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825782624 609530631 /nfs/dbraw/zinc/53/06/31/609530631.db2.gz JJMTWBIHLFZMSR-UHFFFAOYSA-N -2 3 368.806 2.180 20 0 FEADHL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825782624 609530634 /nfs/dbraw/zinc/53/06/34/609530634.db2.gz JJMTWBIHLFZMSR-UHFFFAOYSA-N -2 3 368.806 2.180 20 0 FEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(F)(F)F ZINC000560417381 674585530 /nfs/dbraw/zinc/58/55/30/674585530.db2.gz OEEYUXPJZGDFQN-LURJTMIESA-N -2 3 363.716 2.411 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@H](Cc2ccc(C)c(C)c2)C(=O)[O-])s1 ZINC000560493019 674594338 /nfs/dbraw/zinc/59/43/38/674594338.db2.gz PXXCLKCMTJWSAA-CYBMUJFWSA-N -2 3 354.453 2.043 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)cc1 ZINC000046071686 670213334 /nfs/dbraw/zinc/21/33/34/670213334.db2.gz JTTVRBBLHWGKSA-UHFFFAOYSA-N -2 3 357.391 2.430 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000094541066 670757864 /nfs/dbraw/zinc/75/78/64/670757864.db2.gz UWXPFXZWEDBXEJ-ZETCQYMHSA-N -2 3 356.263 2.208 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)[C@@H]2COc3ccccc32)cc1C(=O)[O-] ZINC000571162062 670826979 /nfs/dbraw/zinc/82/69/79/670826979.db2.gz ATWOIUSEBFLEFF-RNCFNFMXSA-N -2 3 351.380 2.129 20 0 FEADHL C[C@H](COC1CCCC1)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000566071192 675177899 /nfs/dbraw/zinc/17/78/99/675177899.db2.gz SBSKCEXNBOEYCA-LLVKDONJSA-N -2 3 357.428 2.427 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)c(Cl)cc1F ZINC000577101129 671416860 /nfs/dbraw/zinc/41/68/60/671416860.db2.gz XRYCQLSNCFEYGY-SSDOTTSWSA-N -2 3 359.753 2.422 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccccc2OCC2CC2)c1 ZINC000577104932 671417151 /nfs/dbraw/zinc/41/71/51/671417151.db2.gz GOCHOUABARQNOQ-UHFFFAOYSA-N -2 3 351.380 2.245 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000580269862 671793674 /nfs/dbraw/zinc/79/36/74/671793674.db2.gz GJUKKBNYHGUJSB-LBPRGKRZSA-N -2 3 360.844 2.463 20 0 FEADHL C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@@H](C)C(=O)[O-] ZINC000580395846 671803075 /nfs/dbraw/zinc/80/30/75/671803075.db2.gz LMSCBCXQIVBRFH-HTQZYQBOSA-N -2 3 367.199 2.130 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000583562586 672106917 /nfs/dbraw/zinc/10/69/17/672106917.db2.gz BSCQVIYSBJWULF-JTQLQIEISA-N -2 3 370.452 2.208 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000584446428 672188364 /nfs/dbraw/zinc/18/83/64/672188364.db2.gz PLMKVMHXLPWKEX-UHFFFAOYSA-N -2 3 359.297 2.113 20 0 FEADHL C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000230647419 672799202 /nfs/dbraw/zinc/79/92/02/672799202.db2.gz XFIKMWXBGUOUIB-JGVFFNPUSA-N -2 3 366.233 2.455 20 0 FEADHL C[C@@H](CSCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000592447657 672803854 /nfs/dbraw/zinc/80/38/54/672803854.db2.gz GADTYVNWIPRQAP-QMMMGPOBSA-N -2 3 355.840 2.211 20 0 FEADHL O=C([O-])[C@@H]1CC=C[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000714180269 673071049 /nfs/dbraw/zinc/07/10/49/673071049.db2.gz RYNIFTIXNCBVPC-HTQZYQBOSA-N -2 3 366.258 2.208 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000481609935 673321884 /nfs/dbraw/zinc/32/18/84/673321884.db2.gz PEQWOKAYYSPYKD-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1CC ZINC000486095207 673323823 /nfs/dbraw/zinc/32/38/23/673323823.db2.gz VMNLHTLGYWZZFL-UHFFFAOYSA-N -2 3 358.419 2.496 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2OC)c1 ZINC000538298590 673432677 /nfs/dbraw/zinc/43/26/77/673432677.db2.gz OFMCIPYZHZCVIM-UHFFFAOYSA-N -2 3 369.395 2.227 20 0 FEADHL COCCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1F ZINC000539399488 673488421 /nfs/dbraw/zinc/48/84/21/673488421.db2.gz QNNHNPOBWKPRPP-UHFFFAOYSA-N -2 3 371.386 2.366 20 0 FEADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000547874308 673895615 /nfs/dbraw/zinc/89/56/15/673895615.db2.gz WXFOBEVWALAULP-GZMMTYOYSA-N -2 3 368.238 2.152 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(=O)[O-])cc1F ZINC000547873891 673895625 /nfs/dbraw/zinc/89/56/25/673895625.db2.gz DGHUNUKRVKTVFG-UHFFFAOYSA-N -2 3 368.386 2.399 20 0 FEADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)C(=O)[O-] ZINC000548594374 673978161 /nfs/dbraw/zinc/97/81/61/673978161.db2.gz FYCCHUXBSPOOHH-VHSXEESVSA-N -2 3 363.457 2.093 20 0 FEADHL COc1cc(OC)c([N-]S(=O)(=O)CCc2cccs2)c(C(=O)[O-])c1 ZINC000567409741 675291114 /nfs/dbraw/zinc/29/11/14/675291114.db2.gz RIQPJTHUPGZZCM-UHFFFAOYSA-N -2 3 371.436 2.448 20 0 FEADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000824029887 675580822 /nfs/dbraw/zinc/58/08/22/675580822.db2.gz SZGMOGDSWRXNSC-UHFFFAOYSA-N -2 3 357.395 2.179 20 0 FEADHL CC(C)n1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nn[n-]n2)cn1 ZINC000824371690 675598457 /nfs/dbraw/zinc/59/84/57/675598457.db2.gz OMRVPQQXHBFMLH-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825267962 675644428 /nfs/dbraw/zinc/64/44/28/675644428.db2.gz OMHQOZOPZZFPBN-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825267962 675644429 /nfs/dbraw/zinc/64/44/29/675644429.db2.gz OMHQOZOPZZFPBN-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1Cl ZINC000826303866 675685691 /nfs/dbraw/zinc/68/56/91/675685691.db2.gz JSCJJCVTESHDLB-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1-c1nn[n-]n1 ZINC000826299601 675685837 /nfs/dbraw/zinc/68/58/37/675685837.db2.gz MHXQRBPWVHBMFB-UHFFFAOYSA-N -2 3 357.395 2.006 20 0 FEADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1ccc(F)cc1Cl ZINC000826493093 675689486 /nfs/dbraw/zinc/68/94/86/675689486.db2.gz SZQVHBQZCPQHSI-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL Cc1ccc(OCCCC[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000645950829 677275683 /nfs/dbraw/zinc/27/56/83/677275683.db2.gz FHEZXYJNHHRIBM-UHFFFAOYSA-N -2 3 370.452 2.287 20 0 FEADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000650425554 677373093 /nfs/dbraw/zinc/37/30/93/677373093.db2.gz KDCNJTBRJLSLDF-ZCFIWIBFSA-N -2 3 354.247 2.042 20 0 FEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CC2CCC2)s1 ZINC000761264602 680717347 /nfs/dbraw/zinc/71/73/47/680717347.db2.gz SAOXSOWAILOKEI-UHFFFAOYSA-N -2 3 354.247 2.287 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)c(F)c1 ZINC000663294490 678718085 /nfs/dbraw/zinc/71/80/85/678718085.db2.gz SLEBJXJJVNVLDD-QMMMGPOBSA-N -2 3 373.324 2.156 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C2(c3ccccc3)CCOCC2)oc1C(=O)[O-] ZINC000663423542 678735393 /nfs/dbraw/zinc/73/53/93/678735393.db2.gz VTXSYBDKBCRFHH-UHFFFAOYSA-N -2 3 365.407 2.270 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)oc1C(=O)[O-] ZINC000663423819 678735686 /nfs/dbraw/zinc/73/56/86/678735686.db2.gz ZFLYFDMFWGMNLQ-NSHDSACASA-N -2 3 355.343 2.227 20 0 FEADHL C[C@@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1(Cl)Cl ZINC000840892426 680850115 /nfs/dbraw/zinc/85/01/15/680850115.db2.gz RTRFUJRNODJFLN-NSHDSACASA-N -2 3 356.202 2.386 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cc(Cl)c1F ZINC000767740902 680924598 /nfs/dbraw/zinc/92/45/98/680924598.db2.gz WZAOUVMIWKNJBA-UHFFFAOYSA-N -2 3 370.749 2.249 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)cc(Cl)c1F ZINC000767740902 680924601 /nfs/dbraw/zinc/92/46/01/680924601.db2.gz WZAOUVMIWKNJBA-UHFFFAOYSA-N -2 3 370.749 2.249 20 0 FEADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844787852 681082274 /nfs/dbraw/zinc/08/22/74/681082274.db2.gz ALPBYEABOFAEDJ-GWCFXTLKSA-N -2 3 350.799 2.186 20 0 FEADHL CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCO1 ZINC000844898904 681092032 /nfs/dbraw/zinc/09/20/32/681092032.db2.gz PMKXIBDQHOVCNR-NOZJJQNGSA-N -2 3 363.382 2.145 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846770590 681287609 /nfs/dbraw/zinc/28/76/09/681287609.db2.gz VJWLFQCTDHTXPS-UJNFCWOMSA-N -2 3 364.826 2.288 20 0 FEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC[C@H](C)C(=O)[O-] ZINC000776589507 681412064 /nfs/dbraw/zinc/41/20/64/681412064.db2.gz MUZVLQLGPXBHDR-VIFPVBQESA-N -2 3 371.436 2.077 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2)s1 ZINC000917729177 685534127 /nfs/dbraw/zinc/53/41/27/685534127.db2.gz AKADADLHXYWVAZ-NSHDSACASA-N -2 3 369.420 2.029 20 0 FEADHL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000853068545 682370847 /nfs/dbraw/zinc/37/08/47/682370847.db2.gz APHPBTPFHLCCMU-MRVPVSSYSA-N -2 3 369.292 2.176 20 0 FEADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000793348946 682883922 /nfs/dbraw/zinc/88/39/22/682883922.db2.gz HVKJRLZYFCEFST-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1C(N)=O ZINC000793387928 682886233 /nfs/dbraw/zinc/88/62/33/682886233.db2.gz JTOAPTMNRDHQAX-UHFFFAOYSA-N -2 3 366.370 2.040 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3O)c1 ZINC000795347017 683042981 /nfs/dbraw/zinc/04/29/81/683042981.db2.gz BUDQCRXQQSWULX-CYBMUJFWSA-N -2 3 351.380 2.018 20 0 FEADHL CC(C)Oc1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-] ZINC000926459639 683127637 /nfs/dbraw/zinc/12/76/37/683127637.db2.gz OVBVBPNXLYHGHT-VIFPVBQESA-N -2 3 373.324 2.297 20 0 FEADHL CN1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)C1 ZINC000871827837 684864770 /nfs/dbraw/zinc/86/47/70/684864770.db2.gz QVJUUTUUSWSRDP-VIFPVBQESA-N -2 3 367.254 2.064 20 0 FEADHL CO[C@H](C)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000899935590 690443923 /nfs/dbraw/zinc/44/39/23/690443923.db2.gz TUEUZZAPSUAMCX-XCBNKYQSSA-N -2 3 356.227 2.068 20 0 FEADHL O=C([O-])C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000899946035 690447134 /nfs/dbraw/zinc/44/71/34/690447134.db2.gz ZPLZLAVOKWTCGG-WCBMZHEXSA-N -2 3 368.238 2.152 20 0 FEADHL C[C@]1(C(=O)[O-])C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000906007731 691212317 /nfs/dbraw/zinc/21/23/17/691212317.db2.gz BOEDFGZBWAJLEM-ISVAXAHUSA-N -2 3 368.238 2.294 20 0 FEADHL O=C([O-])CCN(C(=O)c1cc([O-])cc(Br)c1)C1CCOCC1 ZINC000909028521 691768715 /nfs/dbraw/zinc/76/87/15/691768715.db2.gz SZNSPDZFUFDMNZ-UHFFFAOYSA-N -2 3 372.215 2.251 20 0 FEADHL COc1cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc(OC)c1[O-] ZINC000909493331 691828137 /nfs/dbraw/zinc/82/81/37/691828137.db2.gz MJWGXLLACFGHIL-LBPRGKRZSA-N -2 3 351.399 2.372 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000026541640 539789696 /nfs/dbraw/zinc/78/96/96/539789696.db2.gz UMYNSPMDHKYLFN-UHFFFAOYSA-N -2 3 368.798 2.246 20 0 FEADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000123897843 543789621 /nfs/dbraw/zinc/78/96/21/543789621.db2.gz XARQTSANWWTXIQ-SSDOTTSWSA-N -2 3 356.263 2.290 20 0 FEADHL CSCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000036965430 324490324 /nfs/dbraw/zinc/49/03/24/324490324.db2.gz JTBTXPFNUSCVMN-QMMMGPOBSA-N -2 3 358.268 2.478 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCOC2)c(Cl)cc1Cl ZINC000037737953 324493494 /nfs/dbraw/zinc/49/34/94/324493494.db2.gz OZUQLAUWVNHJRG-SSDOTTSWSA-N -2 3 354.211 2.006 20 0 FEADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161797938 327009466 /nfs/dbraw/zinc/00/94/66/327009466.db2.gz AMZTVXVUFRXQNN-VIFPVBQESA-N -2 3 354.197 2.120 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)CC(=O)[O-] ZINC000161824972 327010116 /nfs/dbraw/zinc/01/01/16/327010116.db2.gz DGAWAUAZNDSGAD-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)o1 ZINC000273787552 329891652 /nfs/dbraw/zinc/89/16/52/329891652.db2.gz ZUXRSZLNIYTSLV-AWEZNQCLSA-N -2 3 371.386 2.345 20 0 FEADHL Cn1[n-]c(=NC(=O)N=c2[n-]nc(-c3ccsc3)s2)cc1OC(F)F ZINC000554427289 674316459 /nfs/dbraw/zinc/31/64/59/674316459.db2.gz RDOYECCEPFACBJ-UHFFFAOYSA-N -2 3 372.382 2.089 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CCC1 ZINC000554433840 674317095 /nfs/dbraw/zinc/31/70/95/674317095.db2.gz XJRTZTMKZHLRSJ-SNVBAGLBSA-N -2 3 371.308 2.256 20 0 FEADHL O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000479206692 561184495 /nfs/dbraw/zinc/18/44/95/561184495.db2.gz HNHMSNTXVXFXDH-LBPRGKRZSA-N -2 3 374.340 2.075 20 0 FEADHL O=S(=O)([N-]c1ccccc1[N-]S(=O)(=O)C1CC1)c1ccccc1 ZINC000171340062 546204402 /nfs/dbraw/zinc/20/44/02/546204402.db2.gz QJQGUQBTCHDQHB-UHFFFAOYSA-N -2 3 352.437 2.392 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1cc(F)c(F)c(F)c1 ZINC000481603558 561237058 /nfs/dbraw/zinc/23/70/58/561237058.db2.gz IQZMYTYMQGTSLT-UHFFFAOYSA-N -2 3 369.328 2.009 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1cc(F)c(F)c(F)c1 ZINC000481603558 561237059 /nfs/dbraw/zinc/23/70/59/561237059.db2.gz IQZMYTYMQGTSLT-UHFFFAOYSA-N -2 3 369.328 2.009 20 0 FEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000484603652 561301017 /nfs/dbraw/zinc/30/10/17/561301017.db2.gz IKSKHLQBKUWYGU-UHFFFAOYSA-N -2 3 360.185 2.219 20 0 FEADHL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c1OC ZINC000484957573 561309420 /nfs/dbraw/zinc/30/94/20/561309420.db2.gz HGRYEARQAVBWAQ-PHIMTYICSA-N -2 3 372.443 2.037 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCc2ccccc2F)c1 ZINC000184883580 547893485 /nfs/dbraw/zinc/89/34/85/547893485.db2.gz IAUCHSSAFCERKM-UHFFFAOYSA-N -2 3 355.362 2.492 20 0 FEADHL O=C(NCCCNC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc([O-])c1 ZINC000194889846 548545704 /nfs/dbraw/zinc/54/57/04/548545704.db2.gz QIFYLQAOQOVHGM-UHFFFAOYSA-N -2 3 366.776 2.440 20 0 FEADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000262307503 549809452 /nfs/dbraw/zinc/80/94/52/549809452.db2.gz MRLDGJUFZVEGSC-UHFFFAOYSA-N -2 3 352.334 2.022 20 0 FEADHL O=C([O-])[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000263231148 549887145 /nfs/dbraw/zinc/88/71/45/549887145.db2.gz MKFZSRVIWITNET-JTQLQIEISA-N -2 3 357.204 2.161 20 0 FEADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CCO1 ZINC000273708423 550508765 /nfs/dbraw/zinc/50/87/65/550508765.db2.gz ORBOPVSOWIGDGX-YUMQZZPRSA-N -2 3 351.783 2.023 20 0 FEADHL C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)CC(=O)[O-] ZINC000287719869 552038203 /nfs/dbraw/zinc/03/82/03/552038203.db2.gz YMNMEPYTTRMYOG-SSDOTTSWSA-N -2 3 359.297 2.113 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c(C(=O)[O-])c1 ZINC000327006925 553785430 /nfs/dbraw/zinc/78/54/30/553785430.db2.gz FFBLDWLKVGZEHK-UHFFFAOYSA-N -2 3 364.379 2.153 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000507637613 561736207 /nfs/dbraw/zinc/73/62/07/561736207.db2.gz RFBOZLXVNMYVEA-UHFFFAOYSA-N -3 3 367.379 2.055 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1c(Cl)ccnc1Cl ZINC000367929136 556174743 /nfs/dbraw/zinc/17/47/43/556174743.db2.gz HJOSTNYHNLOHOY-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1c(Cl)ccnc1Cl ZINC000367929136 556174745 /nfs/dbraw/zinc/17/47/45/556174745.db2.gz HJOSTNYHNLOHOY-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000368797805 556415128 /nfs/dbraw/zinc/41/51/28/556415128.db2.gz CUTJYNJZAOQQRB-IUODEOHRSA-N -2 3 371.430 2.215 20 0 FEADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC3(CCC3)C2)c1 ZINC000372262483 557424241 /nfs/dbraw/zinc/42/42/41/557424241.db2.gz RBXSQTYHRLPGAF-WFASDCNBSA-N -2 3 371.430 2.215 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OCCCC(=O)[O-])cc2)o1 ZINC000519150173 562126018 /nfs/dbraw/zinc/12/60/18/562126018.db2.gz YUAQCIBILBKGEN-UHFFFAOYSA-N -2 3 353.396 2.310 20 0 FEADHL Cc1cc(C)cc(-c2cc(=NC(=O)N=c3nc4n([n-]3)CCCC4)[nH][n-]2)c1 ZINC000520988732 562167192 /nfs/dbraw/zinc/16/71/92/562167192.db2.gz SNZFGAQMECCTKA-UHFFFAOYSA-N -2 3 351.414 2.109 20 0 FEADHL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000521415226 562175910 /nfs/dbraw/zinc/17/59/10/562175910.db2.gz OOQBUQPKTSNFDP-UHFFFAOYSA-N -3 3 357.290 2.162 20 0 FEADHL COc1cc(F)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1OC ZINC000521676776 562182006 /nfs/dbraw/zinc/18/20/06/562182006.db2.gz HLSSXNUQZHMYOD-UHFFFAOYSA-N -2 3 361.372 2.403 20 0 FEADHL O=C(Nc1n[n-]c(-c2ccccc2F)n1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000522067590 562190894 /nfs/dbraw/zinc/19/08/94/562190894.db2.gz GUEZHFBHFRCJFK-UHFFFAOYSA-N -2 3 366.312 2.206 20 0 FEADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000523534888 562214830 /nfs/dbraw/zinc/21/48/30/562214830.db2.gz UFBVYUHAKDWDRD-HNNXBMFYSA-N -2 3 363.391 2.353 20 0 FEADHL C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3F)cc21 ZINC000392944389 558619898 /nfs/dbraw/zinc/61/98/98/558619898.db2.gz WZTKCYPJBZTJAI-QMMMGPOBSA-N -2 3 364.354 2.380 20 0 FEADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000408503503 558685480 /nfs/dbraw/zinc/68/54/80/558685480.db2.gz SOJZKGOUCMEHDS-KWCYVHTRSA-N -2 3 362.455 2.369 20 0 FEADHL O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425324618 559696643 /nfs/dbraw/zinc/69/66/43/559696643.db2.gz QQGWHWYPVKZGIS-UHFFFAOYSA-N -2 3 374.784 2.290 20 0 FEADHL O=C(Nc1cccc(NC(=O)c2cncc([O-])c2)c1)c1cncc([O-])c1 ZINC000428268632 559772500 /nfs/dbraw/zinc/77/25/00/559772500.db2.gz RGNDEXKWJAYRBT-UHFFFAOYSA-N -2 3 350.334 2.392 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC2COC2)cc1 ZINC000436163564 559936442 /nfs/dbraw/zinc/93/64/42/559936442.db2.gz RHBATCMCNBJQFY-UHFFFAOYSA-N -2 3 363.391 2.272 20 0 FEADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cn(CC)cn3)c2)n1 ZINC000439574347 559997067 /nfs/dbraw/zinc/99/70/67/559997067.db2.gz UHMGFSLYTABMKC-UHFFFAOYSA-N -2 3 373.438 2.429 20 0 FEADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3ccccc3[O-])c2)[n-]1 ZINC000447690674 560167191 /nfs/dbraw/zinc/16/71/91/560167191.db2.gz ZIKIVXWBRXMIMZ-UHFFFAOYSA-N -2 3 366.377 2.284 20 0 FEADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000468369806 560928084 /nfs/dbraw/zinc/92/80/84/560928084.db2.gz BCXCOJZZTCQZRL-UHFFFAOYSA-N -2 3 359.350 2.496 20 0 FEADHL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])n1 ZINC000468956359 560943197 /nfs/dbraw/zinc/94/31/97/560943197.db2.gz LMFUQDCVOJKZCC-UHFFFAOYSA-N -3 3 373.390 2.385 20 0 FEADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)c1 ZINC000470251946 560977468 /nfs/dbraw/zinc/97/74/68/560977468.db2.gz ISZSQCOPKBORDS-UHFFFAOYSA-N -2 3 362.342 2.110 20 0 FEADHL CCN(CC)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000471983752 561015580 /nfs/dbraw/zinc/01/55/80/561015580.db2.gz CREHKRHLTKPQKH-UHFFFAOYSA-N -2 3 356.322 2.282 20 0 FEADHL C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-] ZINC000530143743 562399840 /nfs/dbraw/zinc/39/98/40/562399840.db2.gz QDMAWXSBWHBDIU-OIBJUYFYSA-N -2 3 364.217 2.066 20 0 FEADHL COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)OC)c1 ZINC000530150328 562400150 /nfs/dbraw/zinc/40/01/50/562400150.db2.gz VOWWPPZRBBHNPD-ZDUSSCGKSA-N -2 3 371.436 2.121 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)c1 ZINC000530718793 562421718 /nfs/dbraw/zinc/42/17/18/562421718.db2.gz FXHRFQJKNMUSRA-UHFFFAOYSA-N -3 3 373.390 2.136 20 0 FEADHL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cccc([O-])c2F)c1C ZINC000535053758 562549785 /nfs/dbraw/zinc/54/97/85/562549785.db2.gz MTNHFQLHUAPUMX-UHFFFAOYSA-N -2 3 356.375 2.454 20 0 FEADHL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000540695393 562591399 /nfs/dbraw/zinc/59/13/99/562591399.db2.gz OXRGCHLHIDPDDG-UHFFFAOYSA-N -2 3 374.415 2.012 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2ncn(C)n2)c1 ZINC000541165509 562604737 /nfs/dbraw/zinc/60/47/37/562604737.db2.gz RQXJKIFGCJJSCB-UHFFFAOYSA-N -2 3 372.406 2.290 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c2n[nH]cc21 ZINC000737224932 598948577 /nfs/dbraw/zinc/94/85/77/598948577.db2.gz JGLQAGJZCRFCGD-UHFFFAOYSA-N -2 3 369.410 2.161 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c2n[nH]cc21 ZINC000737224932 598948578 /nfs/dbraw/zinc/94/85/78/598948578.db2.gz JGLQAGJZCRFCGD-UHFFFAOYSA-N -2 3 369.410 2.161 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C1CCC1)C1CCC1 ZINC000556777575 674419285 /nfs/dbraw/zinc/41/92/85/674419285.db2.gz KBTAYYYBMQRRLU-AWEZNQCLSA-N -2 3 356.444 2.239 20 0 FEADHL O=S(=O)(C=Cc1ccc(Cl)cc1)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000823556922 599234301 /nfs/dbraw/zinc/23/43/01/599234301.db2.gz BTOVUPQOMZBWBQ-BQYQJAHWSA-N -2 3 362.802 2.328 20 0 FEADHL Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000737436702 598296216 /nfs/dbraw/zinc/29/62/16/598296216.db2.gz KMKVUNOVHIUKSB-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000737436702 598296218 /nfs/dbraw/zinc/29/62/18/598296218.db2.gz KMKVUNOVHIUKSB-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=C([O-])C1(CC(=O)Nc2sccc2-c2nnn[n-]2)Cc2ccccc2C1 ZINC000737810561 598370259 /nfs/dbraw/zinc/37/02/59/598370259.db2.gz XZSZMNYWPPYZBV-UHFFFAOYSA-N -2 3 369.406 2.127 20 0 FEADHL O=C([O-])C1(CC(=O)Nc2sccc2-c2nn[n-]n2)Cc2ccccc2C1 ZINC000737810561 598370260 /nfs/dbraw/zinc/37/02/60/598370260.db2.gz XZSZMNYWPPYZBV-UHFFFAOYSA-N -2 3 369.406 2.127 20 0 FEADHL O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1[O-] ZINC000738117823 598384531 /nfs/dbraw/zinc/38/45/31/598384531.db2.gz VRHPHJVZWWIOMO-UHFFFAOYSA-N -2 3 374.198 2.265 20 0 FEADHL O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000823387118 599300983 /nfs/dbraw/zinc/30/09/83/599300983.db2.gz CTHHUWDSBZBCLC-BDAKNGLRSA-N -2 3 359.411 2.022 20 0 FEADHL O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000823387118 599300986 /nfs/dbraw/zinc/30/09/86/599300986.db2.gz CTHHUWDSBZBCLC-BDAKNGLRSA-N -2 3 359.411 2.022 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCCC2)o1 ZINC000740175122 599765936 /nfs/dbraw/zinc/76/59/36/599765936.db2.gz GJYPHGYCJPSXOQ-GFCCVEGCSA-N -2 3 368.411 2.076 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCCO2)o1 ZINC000570798152 599777964 /nfs/dbraw/zinc/77/79/64/599777964.db2.gz QJDWFAQZDCQJSB-SWLSCSKDSA-N -2 3 351.380 2.176 20 0 FEADHL O=C([O-])[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)Cc1cccc(F)c1 ZINC000739406567 599948603 /nfs/dbraw/zinc/94/86/03/599948603.db2.gz AXJHDHLOOZANQE-CYBMUJFWSA-N -2 3 368.364 2.341 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CCC4(C[C@@H]4C(=O)[O-])CC3)nc2)n1 ZINC000584234835 600283442 /nfs/dbraw/zinc/28/34/42/600283442.db2.gz WVOHSTWAVLFBGE-CQSZACIVSA-N -2 3 354.410 2.498 20 0 FEADHL O=C([O-])Nc1ccc(CCNC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000740020779 600395538 /nfs/dbraw/zinc/39/55/38/600395538.db2.gz UBKFTAMXXBYCLK-LFIBNONCSA-N -2 3 351.362 2.220 20 0 FEADHL C[C@H](CN(Cc1ccccc1)C(=O)c1nnc2ccccc2c1[O-])C(=O)[O-] ZINC000237413029 600484101 /nfs/dbraw/zinc/48/41/01/600484101.db2.gz UMIIHDSWPVXROD-CYBMUJFWSA-N -2 3 365.389 2.286 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000577219227 600799229 /nfs/dbraw/zinc/79/92/29/600799229.db2.gz XLUMMACSTBNGKU-VIFPVBQESA-N -2 3 353.400 2.105 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)cc1C(=O)[O-] ZINC000833027330 601217092 /nfs/dbraw/zinc/21/70/92/601217092.db2.gz RAGSOOMQNWPELO-UHFFFAOYSA-N -2 3 362.363 2.420 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)ccc1O ZINC000833306007 601388674 /nfs/dbraw/zinc/38/86/74/601388674.db2.gz HASRXSFPOUKVMI-UHFFFAOYSA-N -2 3 361.375 2.410 20 0 FEADHL NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c1 ZINC000833085229 601831519 /nfs/dbraw/zinc/83/15/19/601831519.db2.gz JNBQDWPKDHDDQU-UHFFFAOYSA-N -2 3 372.761 2.077 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccccc2)c(F)cc1F ZINC000569063780 601836004 /nfs/dbraw/zinc/83/60/04/601836004.db2.gz DCZFHGZTQNJYDP-LBPRGKRZSA-N -2 3 355.362 2.420 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1ccco1 ZINC000831660400 601842451 /nfs/dbraw/zinc/84/24/51/601842451.db2.gz GWLVCQRPMVOYDL-LBPRGKRZSA-N -2 3 359.787 2.297 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCCCC[C@@H]2C(=O)[O-])oc1C ZINC000547937587 601991324 /nfs/dbraw/zinc/99/13/24/601991324.db2.gz BHUPSUJXEFUESW-AAEUAGOBSA-N -2 3 373.427 2.077 20 0 FEADHL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000826265665 607539113 /nfs/dbraw/zinc/53/91/13/607539113.db2.gz IPXIMFOZIAUNMB-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000826265665 607539114 /nfs/dbraw/zinc/53/91/14/607539114.db2.gz IPXIMFOZIAUNMB-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL O=C([O-])N1CCC(n2cc(C(=O)Nc3cc(Cl)ccc3[O-])nn2)CC1 ZINC000740455717 602027940 /nfs/dbraw/zinc/02/79/40/602027940.db2.gz DKLMVMROBYPETJ-UHFFFAOYSA-N -2 3 365.777 2.204 20 0 FEADHL C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000071207904 602153834 /nfs/dbraw/zinc/15/38/34/602153834.db2.gz MSKRWEYONHBJKB-RQJHMYQMSA-N -2 3 352.206 2.207 20 0 FEADHL CC1(C)C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000232896768 602154877 /nfs/dbraw/zinc/15/48/77/602154877.db2.gz QEZSTYWYADLMLV-LURJTMIESA-N -2 3 352.206 2.065 20 0 FEADHL CSC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000169131716 602160636 /nfs/dbraw/zinc/16/06/36/602160636.db2.gz XAYRDGJUIOXRCB-UHFFFAOYSA-N -2 3 372.262 2.160 20 0 FEADHL O=C([O-])N1CCCc2cc(NC(=O)CNC(=O)c3ccc([O-])cc3)ccc21 ZINC000740373866 602577032 /nfs/dbraw/zinc/57/70/32/602577032.db2.gz JOONZCNOYBYWLE-UHFFFAOYSA-N -2 3 369.377 2.191 20 0 FEADHL CC(C)C[C@H](CNC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000824202409 603117092 /nfs/dbraw/zinc/11/70/92/603117092.db2.gz BJCCTFSMTKIOHE-MRVPVSSYSA-N -2 3 354.350 2.065 20 0 FEADHL CCc1ccc([O-])c(C(=O)N2CCC(OCCCNC(=O)[O-])CC2)c1 ZINC000827589601 604116121 /nfs/dbraw/zinc/11/61/21/604116121.db2.gz PCWRABZGTCJQOX-UHFFFAOYSA-N -2 3 350.415 2.234 20 0 FEADHL CC[C@](C)([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000828692563 604475665 /nfs/dbraw/zinc/47/56/65/604475665.db2.gz JKUGKDOFPPQMCX-NSHDSACASA-N -2 3 354.197 2.120 20 0 FEADHL COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc(OC)c1[O-] ZINC000833726758 604485452 /nfs/dbraw/zinc/48/54/52/604485452.db2.gz IHZQIUNOJKFGKS-JTQLQIEISA-N -2 3 351.380 2.417 20 0 FEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ncccc1C(C)C ZINC000826256186 607695658 /nfs/dbraw/zinc/69/56/58/607695658.db2.gz XUTMHVSGTPXCHT-UHFFFAOYSA-N -2 3 358.427 2.494 20 0 FEADHL C[C@H](NC(=O)[O-])c1ccc(CNC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000825396706 604582710 /nfs/dbraw/zinc/58/27/10/604582710.db2.gz CMOQKDSLLOEPPA-JTQLQIEISA-N -2 3 358.350 2.380 20 0 FEADHL C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CCN1C(=O)[O-] ZINC000826007353 605190172 /nfs/dbraw/zinc/19/01/72/605190172.db2.gz HPYAXZRPKDYOTB-SECBINFHSA-N -2 3 372.219 2.048 20 0 FEADHL O=C([O-])N[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000832365782 605191405 /nfs/dbraw/zinc/19/14/05/605191405.db2.gz NNYPGFASDAMINK-JTQLQIEISA-N -2 3 372.219 2.096 20 0 FEADHL O=C([O-])N[C@H]1CCC[C@@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000832338296 605881762 /nfs/dbraw/zinc/88/17/62/605881762.db2.gz GUQBMKJZYZRURO-ONGXEEELSA-N -2 3 357.204 2.207 20 0 FEADHL O=C([O-])C=Cc1cnc(C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)s1 ZINC000823387513 606196225 /nfs/dbraw/zinc/19/62/25/606196225.db2.gz NNDJGSYRCARNBT-BUSIMMOISA-N -2 3 365.378 2.239 20 0 FEADHL O=C([O-])C=Cc1cnc(C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)s1 ZINC000823387513 606196226 /nfs/dbraw/zinc/19/62/26/606196226.db2.gz NNDJGSYRCARNBT-BUSIMMOISA-N -2 3 365.378 2.239 20 0 FEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(F)(F)F ZINC000560417468 674585373 /nfs/dbraw/zinc/58/53/73/674585373.db2.gz WNNDEWLLJLAGEE-LURJTMIESA-N -2 3 363.716 2.411 20 0 FEADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000562350849 674744684 /nfs/dbraw/zinc/74/46/84/674744684.db2.gz DHEJMHSACAYBHK-UHFFFAOYSA-N -2 3 359.297 2.256 20 0 FEADHL COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000563069688 674843669 /nfs/dbraw/zinc/84/36/69/674843669.db2.gz TUBWBIPJNMWAQT-UHFFFAOYSA-N -2 3 370.452 2.150 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)CCOc2ccccc2)c(Cl)c1 ZINC000060838577 670389794 /nfs/dbraw/zinc/38/97/94/670389794.db2.gz BWDDKUWURDTSTC-UHFFFAOYSA-N -2 3 368.842 2.427 20 0 FEADHL Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)n1 ZINC000569462742 670564536 /nfs/dbraw/zinc/56/45/36/670564536.db2.gz GCRIBXMZEXAEKP-ZETCQYMHSA-N -2 3 359.791 2.078 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)[C@H](C)C(=O)[O-] ZINC000565406527 675118699 /nfs/dbraw/zinc/11/86/99/675118699.db2.gz NLGZJZJNQZUZRE-BQBZGAKWSA-N -2 3 359.297 2.112 20 0 FEADHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000571642157 670905222 /nfs/dbraw/zinc/90/52/22/670905222.db2.gz IDQNBPOQLMMADI-JTQLQIEISA-N -2 3 365.249 2.012 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](C)c2nc(C)c(C(=O)[O-])s2)s1 ZINC000579227085 671720892 /nfs/dbraw/zinc/72/08/92/671720892.db2.gz LMZSFIPLTWOUOT-SSDOTTSWSA-N -2 3 361.470 2.208 20 0 FEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(F)F ZINC000579659989 671751069 /nfs/dbraw/zinc/75/10/69/671751069.db2.gz CUZRJINIKINGBG-YFKPBYRVSA-N -2 3 367.317 2.401 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000581724016 671930472 /nfs/dbraw/zinc/93/04/72/671930472.db2.gz KIAZTBNKEQGDSX-HIFRSBDPSA-N -2 3 365.407 2.485 20 0 FEADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000581760934 671935148 /nfs/dbraw/zinc/93/51/48/671935148.db2.gz LCKHZCUAUWPXKL-SCZZXKLOSA-N -2 3 354.350 2.268 20 0 FEADHL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)N1CCC(C)CC1 ZINC000583521314 672102953 /nfs/dbraw/zinc/10/29/53/672102953.db2.gz DWBDEQIRXZJDMI-UHFFFAOYSA-N -2 3 362.835 2.435 20 0 FEADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000176720500 672376538 /nfs/dbraw/zinc/37/65/38/672376538.db2.gz ZPNZOPFSHZUUFB-UHFFFAOYSA-N -2 3 363.226 2.406 20 0 FEADHL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)CCOCC2CC2)c1[O-] ZINC000591592258 672692377 /nfs/dbraw/zinc/69/23/77/672692377.db2.gz DCNBFWQUIZHPTA-UHFFFAOYSA-N -2 3 363.819 2.001 20 0 FEADHL O=C([O-])C[C@H]1CSCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000700747590 673056398 /nfs/dbraw/zinc/05/63/98/673056398.db2.gz FRZRJXJPXVACCI-JTQLQIEISA-N -2 3 360.229 2.187 20 0 FEADHL O=C([O-])CC1CC([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000718101056 673077492 /nfs/dbraw/zinc/07/74/92/673077492.db2.gz YQXCXRRIYLGSDQ-UHFFFAOYSA-N -2 3 354.247 2.042 20 0 FEADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1 ZINC000427330647 673210553 /nfs/dbraw/zinc/21/05/53/673210553.db2.gz MCUOOWXXATYEIE-UHFFFAOYSA-N -3 3 367.354 2.342 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cnccc2C)cc1F ZINC000537273208 673385015 /nfs/dbraw/zinc/38/50/15/673385015.db2.gz QJVCRPFZHXEOHT-UHFFFAOYSA-N -2 3 373.431 2.092 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)c1 ZINC000538298729 673432706 /nfs/dbraw/zinc/43/27/06/673432706.db2.gz AZVZEOVMAHRSHS-QHCPKHFHSA-N -2 3 369.464 2.389 20 0 FEADHL CC(C)(CCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547566766 673864914 /nfs/dbraw/zinc/86/49/14/673864914.db2.gz XVGWEFSPKXGWET-UHFFFAOYSA-N -2 3 364.807 2.418 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C1CCC1 ZINC000547590018 673869969 /nfs/dbraw/zinc/86/99/69/673869969.db2.gz XZHISNBRJICZFR-LLVKDONJSA-N -2 3 366.208 2.120 20 0 FEADHL CCCSC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000547592491 673870090 /nfs/dbraw/zinc/87/00/90/673870090.db2.gz FHCPYKCSCXUDJT-SECBINFHSA-N -2 3 355.840 2.354 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccsc1 ZINC000548259676 673943565 /nfs/dbraw/zinc/94/35/65/673943565.db2.gz RKPJVLHXDULYJY-LLVKDONJSA-N -2 3 351.327 2.270 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)ccc1F ZINC000548525285 673965296 /nfs/dbraw/zinc/96/52/96/673965296.db2.gz WUMFDSKUDDRHBM-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC2)c1Cl ZINC000548534296 673967110 /nfs/dbraw/zinc/96/71/10/673967110.db2.gz LYTAEOPYNYSEGE-GZMMTYOYSA-N -2 3 368.238 2.070 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC000548564713 673973300 /nfs/dbraw/zinc/97/33/00/673973300.db2.gz JODJPAXPZZASET-CQSZACIVSA-N -2 3 354.453 2.427 20 0 FEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])c1 ZINC000548588179 673976690 /nfs/dbraw/zinc/97/66/90/673976690.db2.gz KDKMSIHOKIGCNQ-UWVGGRQHSA-N -2 3 363.457 2.093 20 0 FEADHL CCCc1nc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)s1 ZINC000548599376 673978762 /nfs/dbraw/zinc/97/87/62/673978762.db2.gz HRSLVFFEMBRCHG-UHFFFAOYSA-N -2 3 365.436 2.088 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(F)c2)cc1C(=O)[O-] ZINC000567609575 675306068 /nfs/dbraw/zinc/30/60/68/675306068.db2.gz PXEITTOPAMZFDZ-VIFPVBQESA-N -2 3 357.359 2.171 20 0 FEADHL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000656165685 677717291 /nfs/dbraw/zinc/71/72/91/677717291.db2.gz XXJTXHQTWXWRDQ-ZETCQYMHSA-N -2 3 374.615 2.194 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)ccc1F ZINC000826272696 675685495 /nfs/dbraw/zinc/68/54/95/675685495.db2.gz XFJYYJQECVYSLA-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL COC1(CS(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2[O-])CCOCC1 ZINC000650181945 677357574 /nfs/dbraw/zinc/35/75/74/677357574.db2.gz GMWQAEOAHXZNOI-UHFFFAOYSA-N -2 3 369.361 2.348 20 0 FEADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000650426779 677373174 /nfs/dbraw/zinc/37/31/74/677373174.db2.gz UAVHNLRCUYDNLQ-SSDOTTSWSA-N -2 3 355.309 2.376 20 0 FEADHL COC1(C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C(=O)[O-])CCC1 ZINC000650432920 677374066 /nfs/dbraw/zinc/37/40/66/677374066.db2.gz LOZWTNXFPGRQRR-NSHDSACASA-N -2 3 365.810 2.170 20 0 FEADHL CC(C)COCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761242586 680716548 /nfs/dbraw/zinc/71/65/48/680716548.db2.gz PQJUUWHYTGYZGU-UHFFFAOYSA-N -2 3 351.371 2.004 20 0 FEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCOC2)c1 ZINC000761265225 680717383 /nfs/dbraw/zinc/71/73/83/680717383.db2.gz RLJZIDOGSDSJJU-MRVPVSSYSA-N -2 3 368.238 2.397 20 0 FEADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C2CC2)s1 ZINC000663422061 678734699 /nfs/dbraw/zinc/73/46/99/678734699.db2.gz AUWNYHVBECAOEA-LLVKDONJSA-N -2 3 356.425 2.481 20 0 FEADHL COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000663423357 678735349 /nfs/dbraw/zinc/73/53/49/678735349.db2.gz TVLKKSLLYYACLX-NSHDSACASA-N -2 3 353.396 2.204 20 0 FEADHL CC/C=C/C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000840891614 680849852 /nfs/dbraw/zinc/84/98/52/680849852.db2.gz YSNYJNABTGNDTM-ONEGZZNKSA-N -2 3 354.247 2.453 20 0 FEADHL Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(Cc3c(F)ccc([O-])c3F)C2)cn1 ZINC000874048086 685279236 /nfs/dbraw/zinc/27/92/36/685279236.db2.gz IUEVRCQXGFHZPY-MNOVXSKESA-N -2 3 351.353 2.094 20 0 FEADHL Cc1ccc(C[C@@H]([N-]S(=O)(=O)c2cccnc2Cl)C(=O)[O-])cc1C ZINC000837293209 680582903 /nfs/dbraw/zinc/58/29/03/680582903.db2.gz FEJADFJDNRCMDN-CYBMUJFWSA-N -2 3 368.842 2.326 20 0 FEADHL O=C([O-])[C@H](CCC[N-]S(=O)(=O)c1c[nH]nc1Cl)Cc1ccccc1 ZINC000837293687 680582990 /nfs/dbraw/zinc/58/29/90/680582990.db2.gz OFAWACXPYSTXJB-GFCCVEGCSA-N -2 3 371.846 2.065 20 0 FEADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837294368 680583162 /nfs/dbraw/zinc/58/31/62/680583162.db2.gz UIRFUDQRSTZPPK-UHFFFAOYSA-N -2 3 371.640 2.029 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c1 ZINC000775671108 681322957 /nfs/dbraw/zinc/32/29/57/681322957.db2.gz VAZISBWNDPPPJE-UHFFFAOYSA-N -2 3 362.407 2.328 20 0 FEADHL CCc1ccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1 ZINC000852734727 682330703 /nfs/dbraw/zinc/33/07/03/682330703.db2.gz CUUSFJHQSIKLCI-UONOGXRCSA-N -2 3 358.360 2.345 20 0 FEADHL O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000853068515 682370645 /nfs/dbraw/zinc/37/06/45/682370645.db2.gz BSPDLCSIRLKTDU-VIFPVBQESA-N -2 3 353.293 2.296 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC2CCOCC2)C(=O)[O-])sc1Cl ZINC000788697868 682551430 /nfs/dbraw/zinc/55/14/30/682551430.db2.gz XWPVOHGLIPYTSM-JTQLQIEISA-N -2 3 367.876 2.258 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)cc1C(=O)[O-] ZINC000795389438 683047940 /nfs/dbraw/zinc/04/79/40/683047940.db2.gz UYDUTLQZDVPVKL-SECBINFHSA-N -2 3 369.370 2.387 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C1CC1 ZINC000798406405 683343997 /nfs/dbraw/zinc/34/39/97/683343997.db2.gz FENSRTIHRNFMPA-VIFPVBQESA-N -2 3 366.208 2.120 20 0 FEADHL O=C([N-]OCCCC(F)(F)F)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000871214986 684797378 /nfs/dbraw/zinc/79/73/78/684797378.db2.gz WSOKSSZNEBWOHY-GFCCVEGCSA-N -2 3 360.332 2.387 20 0 FEADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000887331591 688407430 /nfs/dbraw/zinc/40/74/30/688407430.db2.gz YJWQCUZUEFQFSJ-GARJFASQSA-N -2 3 360.863 2.457 20 0 FEADHL O=C([O-])C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000899946036 690447018 /nfs/dbraw/zinc/44/70/18/690447018.db2.gz ZPLZLAVOKWTCGG-WPRPVWTQSA-N -2 3 368.238 2.152 20 0 FEADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCSC1 ZINC000903498024 690901338 /nfs/dbraw/zinc/90/13/38/690901338.db2.gz XFHCVBOKCYGJQZ-AWEZNQCLSA-N -2 3 370.477 2.049 20 0 FEADHL C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1(C(=O)[O-])CCOCC1 ZINC000907916318 691582634 /nfs/dbraw/zinc/58/26/34/691582634.db2.gz TWHFBWGOIIXCKV-LBPRGKRZSA-N -2 3 353.390 2.240 20 0 FEADHL O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000908982035 691761379 /nfs/dbraw/zinc/76/13/79/691761379.db2.gz CGKJFJNZLUXXGM-AWEZNQCLSA-N -2 3 353.390 2.336 20 0 FEADHL C/C=C/C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-] ZINC000909160135 691788143 /nfs/dbraw/zinc/78/81/43/691788143.db2.gz VREVPKUPZAHAHS-KXMPLOMGSA-N -2 3 357.204 2.373 20 0 FEADHL Cc1cc(C)cc(OCC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000008029583 539475461 /nfs/dbraw/zinc/47/54/61/539475461.db2.gz CIUZLNWCDQVDLX-UHFFFAOYSA-N -2 3 367.398 2.498 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000055601440 540663343 /nfs/dbraw/zinc/66/33/43/540663343.db2.gz PJMRYPOHWBXHRX-UHFFFAOYSA-N -2 3 360.395 2.151 20 0 FEADHL CC1(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCC1 ZINC000066581187 541341005 /nfs/dbraw/zinc/34/10/05/541341005.db2.gz PQIBBQQNRGTDAT-UHFFFAOYSA-N -2 3 364.464 2.056 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c(C)c1 ZINC000068216233 541564115 /nfs/dbraw/zinc/56/41/15/541564115.db2.gz LNXZBGVKZSTRLI-UHFFFAOYSA-N -2 3 360.391 2.078 20 0 FEADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000077383526 542375310 /nfs/dbraw/zinc/37/53/10/542375310.db2.gz XDIUKLWDIBHFBR-MNOVXSKESA-N -2 3 364.464 2.054 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])sc1Br ZINC000094540980 542955169 /nfs/dbraw/zinc/95/51/69/542955169.db2.gz XGWGEDQAQLCEAN-SSDOTTSWSA-N -2 3 356.263 2.351 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCC1 ZINC000551997232 674180045 /nfs/dbraw/zinc/18/00/45/674180045.db2.gz XDDPKLCTCFEXHN-UHFFFAOYSA-N -2 3 366.208 2.121 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)co1 ZINC000186262555 327954268 /nfs/dbraw/zinc/95/42/68/327954268.db2.gz ZXTBWTGCWMPEPA-JTQLQIEISA-N -2 3 350.396 2.047 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3cn(C(C)C)cn3)cc2)n1 ZINC000131817893 326582428 /nfs/dbraw/zinc/58/24/28/326582428.db2.gz ASUZHRUXJDRQBT-UHFFFAOYSA-N -2 3 373.438 2.324 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000172897188 327225340 /nfs/dbraw/zinc/22/53/40/327225340.db2.gz KWQAMWBYHUJHIK-UHFFFAOYSA-N -2 3 354.453 2.476 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000178507416 327589449 /nfs/dbraw/zinc/58/94/49/327589449.db2.gz SWOOCLJOBBJNPJ-VIFPVBQESA-N -2 3 372.805 2.490 20 0 FEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]C[C@H]2CCOC2)c1 ZINC000273706981 329885199 /nfs/dbraw/zinc/88/51/99/329885199.db2.gz OMHVOKHZUTXSKF-SSDOTTSWSA-N -2 3 354.211 2.006 20 0 FEADHL C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CCO1 ZINC000273857903 329897692 /nfs/dbraw/zinc/89/76/92/329897692.db2.gz YXMVOGCOEAPDQQ-RKDXNWHRSA-N -2 3 365.810 2.271 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000274941241 329994813 /nfs/dbraw/zinc/99/48/13/329994813.db2.gz FBPRPGATGUQEIL-MFKMUULPSA-N -2 3 355.437 2.497 20 0 FEADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000274998940 330000550 /nfs/dbraw/zinc/00/05/50/330000550.db2.gz LNSRHIQMSILYBD-SSDOTTSWSA-N -2 3 354.197 2.120 20 0 FEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cncc(Cl)c2)nc1C1CC1 ZINC000275001102 330000971 /nfs/dbraw/zinc/00/09/71/330000971.db2.gz OEOUJHNEKFRUIC-UHFFFAOYSA-N -2 3 367.814 2.184 20 0 FEADHL Cc1nc(CC[N-]S(=O)(=O)c2c(C)cccc2F)sc1C(=O)[O-] ZINC000275286098 330030689 /nfs/dbraw/zinc/03/06/89/330030689.db2.gz OSQMRRQQMGDIGM-UHFFFAOYSA-N -2 3 358.416 2.118 20 0 FEADHL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cn1 ZINC000478676175 561172454 /nfs/dbraw/zinc/17/24/54/561172454.db2.gz JQHIYYLYBRBXJS-JTQLQIEISA-N -2 3 364.427 2.455 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1ccc2ncsc2c1 ZINC000479504410 561190843 /nfs/dbraw/zinc/19/08/43/561190843.db2.gz PPEQLRJNLSEXLK-UHFFFAOYSA-N -2 3 372.435 2.201 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1ccc2ncsc2c1 ZINC000479504410 561190844 /nfs/dbraw/zinc/19/08/44/561190844.db2.gz PPEQLRJNLSEXLK-UHFFFAOYSA-N -2 3 372.435 2.201 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1cccc2cccnc21 ZINC000178220512 546760546 /nfs/dbraw/zinc/76/05/46/546760546.db2.gz WWVLTHPQQPWELF-UHFFFAOYSA-N -2 3 366.406 2.140 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1cccc2cccnc21 ZINC000178220512 546760549 /nfs/dbraw/zinc/76/05/49/546760549.db2.gz WWVLTHPQQPWELF-UHFFFAOYSA-N -2 3 366.406 2.140 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1F ZINC000481470999 561233449 /nfs/dbraw/zinc/23/34/49/561233449.db2.gz ZWCQPOMFSHINMR-UHFFFAOYSA-N -3 3 355.343 2.429 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000484579176 561300592 /nfs/dbraw/zinc/30/05/92/561300592.db2.gz ZDTHGKFFXCAOJA-UHFFFAOYSA-N -2 3 358.375 2.336 20 0 FEADHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000262586468 549830255 /nfs/dbraw/zinc/83/02/55/549830255.db2.gz SRGNPRUYMBACEK-VXGBXAGGSA-N -2 3 354.428 2.196 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000262634902 549833991 /nfs/dbraw/zinc/83/39/91/549833991.db2.gz MHGNZTADYCMSMB-SNVBAGLBSA-N -2 3 370.652 2.490 20 0 FEADHL O=C([O-])CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000262636036 549834170 /nfs/dbraw/zinc/83/41/70/549834170.db2.gz MZGCHKJPIRUAKM-UHFFFAOYSA-N -2 3 356.625 2.246 20 0 FEADHL C[C@H](C(=O)[O-])N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000263571880 549909631 /nfs/dbraw/zinc/90/96/31/549909631.db2.gz KAPBGMYAIGPAJF-ICCXJUOJSA-N -2 3 362.323 2.135 20 0 FEADHL O=C(CCCCCC(=O)[N-]OCc1cccnc1)[N-]OCc1cccnc1 ZINC000269545692 550205586 /nfs/dbraw/zinc/20/55/86/550205586.db2.gz DPLWVCLAICKSHF-UHFFFAOYSA-N -2 3 372.425 2.223 20 0 FEADHL CCOc1cc(-c2noc([C@@H](C)[N-]S(C)(=O)=O)n2)cc(Cl)c1[O-] ZINC000278172436 550756835 /nfs/dbraw/zinc/75/68/35/550756835.db2.gz WKQFBIVRXOBIHK-SSDOTTSWSA-N -2 3 361.807 2.105 20 0 FEADHL C[C@H](CC[N-]S(=O)(=O)c1cccc(Br)c1F)CC(=O)[O-] ZINC000281757582 551139805 /nfs/dbraw/zinc/13/98/05/551139805.db2.gz FZMLHAZTFNWFDQ-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000282940062 551287627 /nfs/dbraw/zinc/28/76/27/551287627.db2.gz IPTUPJNYYIPBNI-LURJTMIESA-N -2 3 356.625 2.102 20 0 FEADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1cncc(Cl)c1)C(F)(F)F ZINC000285004491 551687864 /nfs/dbraw/zinc/68/78/64/551687864.db2.gz HDUGWDCMUNCOGP-SSDOTTSWSA-N -2 3 360.741 2.057 20 0 FEADHL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCCCCC(=O)[O-])c1 ZINC000298304474 553410166 /nfs/dbraw/zinc/41/01/66/553410166.db2.gz MGRWGNAUVMPPPF-UHFFFAOYSA-N -2 3 363.819 2.050 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000504695930 561661337 /nfs/dbraw/zinc/66/13/37/561661337.db2.gz UHLWQMPXGGFGLU-UHFFFAOYSA-N -2 3 351.380 2.350 20 0 FEADHL Cc1nc(C=Cc2cncc(Br)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504713592 561661677 /nfs/dbraw/zinc/66/16/77/561661677.db2.gz XNJGBDIFCWMENV-IHWYPQMZSA-N -2 3 350.172 2.446 20 0 FEADHL O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000319572851 553763739 /nfs/dbraw/zinc/76/37/39/553763739.db2.gz RDOABQCZRNWRRT-LBPRGKRZSA-N -2 3 357.790 2.453 20 0 FEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000321680507 553766970 /nfs/dbraw/zinc/76/69/70/553766970.db2.gz ZBDSYJGGXYNWLJ-UHFFFAOYSA-N -2 3 366.342 2.339 20 0 FEADHL CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)s1 ZINC000323329349 553769394 /nfs/dbraw/zinc/76/93/94/553769394.db2.gz XUBHUHUQGFAMIF-UHFFFAOYSA-N -2 3 358.416 2.330 20 0 FEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cc1C(=O)[O-] ZINC000326920114 553784398 /nfs/dbraw/zinc/78/43/98/553784398.db2.gz RDFLDCTXNNNWLT-UHFFFAOYSA-N -2 3 362.363 2.237 20 0 FEADHL CS(=O)(=O)[N-]c1cc(NC(=O)Cc2ccccc2C(=O)[O-])ccc1F ZINC000327993622 553792460 /nfs/dbraw/zinc/79/24/60/553792460.db2.gz SLFGIVOJOWUPLF-UHFFFAOYSA-N -2 3 366.370 2.077 20 0 FEADHL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000509202082 561789827 /nfs/dbraw/zinc/78/98/27/561789827.db2.gz HLIOYLLGKIZXJG-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000509202082 561789829 /nfs/dbraw/zinc/78/98/29/561789829.db2.gz HLIOYLLGKIZXJG-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000509486800 561801618 /nfs/dbraw/zinc/80/16/18/561801618.db2.gz BLGKTSXZMCEADC-UHFFFAOYSA-N -2 3 365.560 2.388 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCOc3ccccc32)cc(F)c1F ZINC000368188163 556242542 /nfs/dbraw/zinc/24/25/42/556242542.db2.gz KTCNBAIEVYEEPY-ZDUSSCGKSA-N -2 3 369.345 2.465 20 0 FEADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)no1 ZINC000519163002 562126440 /nfs/dbraw/zinc/12/64/40/562126440.db2.gz NICBWLPFXIBQMF-QMMMGPOBSA-N -2 3 372.365 2.045 20 0 FEADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000519755915 562142583 /nfs/dbraw/zinc/14/25/83/562142583.db2.gz YKZUPRCLYCUTDO-UHFFFAOYSA-N -2 3 359.297 2.256 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000520402440 562155486 /nfs/dbraw/zinc/15/54/86/562155486.db2.gz QVRHKUNEPRNBCU-UHFFFAOYSA-N -2 3 359.454 2.046 20 0 FEADHL COc1cccc(C[C@H](C[N-]S(=O)(=O)c2cc(C)cs2)C(=O)[O-])c1 ZINC000520984012 562166987 /nfs/dbraw/zinc/16/69/87/562166987.db2.gz DKKYGTNZSZLMFL-CYBMUJFWSA-N -2 3 369.464 2.287 20 0 FEADHL C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(-c2cc3ccccc3o2)[n-]n1 ZINC000375070244 557973240 /nfs/dbraw/zinc/97/32/40/557973240.db2.gz GEHRFNYHGVTCRN-SNVBAGLBSA-N -2 3 362.411 2.041 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1C(=O)[O-] ZINC000522359959 562197438 /nfs/dbraw/zinc/19/74/38/562197438.db2.gz RPSGAZANGCSVTD-HSZRJFAPSA-N -2 3 367.448 2.373 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C1CCC1 ZINC000399258651 558627502 /nfs/dbraw/zinc/62/75/02/558627502.db2.gz KJNAAQCQFKZPGI-NSHDSACASA-N -2 3 366.208 2.120 20 0 FEADHL O=C([O-])C1(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)Cc2ccccc2C1 ZINC000524267077 562226302 /nfs/dbraw/zinc/22/63/02/562226302.db2.gz CDAQJVJWTXOTPD-UHFFFAOYSA-N -2 3 363.377 2.065 20 0 FEADHL O=C([O-])C1(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)Cc2ccccc2C1 ZINC000524267077 562226303 /nfs/dbraw/zinc/22/63/03/562226303.db2.gz CDAQJVJWTXOTPD-UHFFFAOYSA-N -2 3 363.377 2.065 20 0 FEADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000526059483 562265547 /nfs/dbraw/zinc/26/55/47/562265547.db2.gz ROKJYKVTYLHXPC-LBPRGKRZSA-N -2 3 352.393 2.302 20 0 FEADHL O=C([O-])CCCCCNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000417775871 559375973 /nfs/dbraw/zinc/37/59/73/559375973.db2.gz QFQNOQBFZOWZJH-UHFFFAOYSA-N -2 3 369.219 2.863 20 0 FEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1sc(C)cc1C ZINC000431179802 559835363 /nfs/dbraw/zinc/83/53/63/559835363.db2.gz HQFQIDKILABNJO-UHFFFAOYSA-N -2 3 372.424 2.067 20 0 FEADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1C ZINC000433525127 559883490 /nfs/dbraw/zinc/88/34/90/559883490.db2.gz MVENXGYEBYHKIT-UHFFFAOYSA-N -3 3 364.379 2.158 20 0 FEADHL CC1(C)Cc2ccc(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)c([O-])c2O1 ZINC000436694365 559949021 /nfs/dbraw/zinc/94/90/21/559949021.db2.gz BZVQVGDVNDTCBR-UHFFFAOYSA-N -2 3 359.382 2.214 20 0 FEADHL COC(=O)c1coc(C(=O)[N-]c2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)c1 ZINC000436900401 559955785 /nfs/dbraw/zinc/95/57/85/559955785.db2.gz HSCZITFUXCUADI-UHFFFAOYSA-N -2 3 362.729 2.463 20 0 FEADHL O=C(NCCCc1n[nH]c(=O)[n-]1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436991109 559958768 /nfs/dbraw/zinc/95/87/68/559958768.db2.gz XKIGFUSFYXENKL-UHFFFAOYSA-N -2 3 366.421 2.364 20 0 FEADHL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1[O-] ZINC000437001184 559959282 /nfs/dbraw/zinc/95/92/82/559959282.db2.gz KBWZGFDWTMNQEW-UHFFFAOYSA-N -3 3 361.326 2.169 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cc1O ZINC000438772018 559983386 /nfs/dbraw/zinc/98/33/86/559983386.db2.gz OQVCSDCKHXKFEP-UHFFFAOYSA-N -2 3 374.415 2.012 20 0 FEADHL O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)Nc1ccc([O-])c(Cl)c1 ZINC000440946361 560020144 /nfs/dbraw/zinc/02/01/44/560020144.db2.gz FYCBBVFJRRXCEO-UHFFFAOYSA-N -2 3 371.780 2.256 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)noc2C2CC2)ccc1[O-] ZINC000463780595 560824178 /nfs/dbraw/zinc/82/41/78/560824178.db2.gz DCSXKIQMTAOUTN-UHFFFAOYSA-N -2 3 351.384 2.325 20 0 FEADHL COc1cccc(-c2nc(=NC(=O)NCc3ncccc3[O-])s[n-]2)c1 ZINC000469905828 560968639 /nfs/dbraw/zinc/96/86/39/560968639.db2.gz JKRPVHQRIQQBDM-UHFFFAOYSA-N -2 3 357.395 2.058 20 0 FEADHL CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000476905944 561131621 /nfs/dbraw/zinc/13/16/21/561131621.db2.gz QAIUXENMANDIEZ-SNVBAGLBSA-N -2 3 352.453 2.054 20 0 FEADHL CO[C@@H](C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)CC(=O)[O-] ZINC000530541211 562415400 /nfs/dbraw/zinc/41/54/00/562415400.db2.gz LYZYYLOJJUDLHI-SNVBAGLBSA-N -2 3 361.803 2.163 20 0 FEADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000530907159 562428254 /nfs/dbraw/zinc/42/82/54/562428254.db2.gz XANGNHPCFLNYJD-UHFFFAOYSA-N -2 3 367.354 2.040 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000532254181 562471744 /nfs/dbraw/zinc/47/17/44/562471744.db2.gz CGOMAIUZAUZUIX-UHFFFAOYSA-N -2 3 367.361 2.138 20 0 FEADHL Cc1ccc(NC(=O)Cc2c(C)nc(-c3ncccn3)[n-]c2=O)c([O-])c1 ZINC000534600978 562538073 /nfs/dbraw/zinc/53/80/73/562538073.db2.gz MVBAEHWOHJFJRF-UHFFFAOYSA-N -2 3 351.366 2.143 20 0 FEADHL O=C([O-])[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(OC(F)F)cc1 ZINC000537403886 562590454 /nfs/dbraw/zinc/59/04/54/562590454.db2.gz QOBLINWROPTOOS-CYBMUJFWSA-N -2 3 362.292 2.115 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738343355 598841998 /nfs/dbraw/zinc/84/19/98/598841998.db2.gz XPEWVBPVIYIZFT-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738343355 598842000 /nfs/dbraw/zinc/84/20/00/598842000.db2.gz XPEWVBPVIYIZFT-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC000737301458 598969459 /nfs/dbraw/zinc/96/94/59/598969459.db2.gz OOJHNFGDPGUPRI-UHFFFAOYSA-N -2 3 362.440 2.310 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC000737301458 598969461 /nfs/dbraw/zinc/96/94/61/598969461.db2.gz OOJHNFGDPGUPRI-UHFFFAOYSA-N -2 3 362.440 2.310 20 0 FEADHL CC[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000820410994 597657323 /nfs/dbraw/zinc/65/73/23/597657323.db2.gz MUTURUUMHSHGCX-IAGOWNOFSA-N -2 3 370.405 2.233 20 0 FEADHL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000736961214 598381605 /nfs/dbraw/zinc/38/16/05/598381605.db2.gz KDCWYUNXZRBGEX-NSHDSACASA-N -2 3 359.411 2.375 20 0 FEADHL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000736961214 598381606 /nfs/dbraw/zinc/38/16/06/598381606.db2.gz KDCWYUNXZRBGEX-NSHDSACASA-N -2 3 359.411 2.375 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1ccccc1C(F)(F)F ZINC000738345895 598638227 /nfs/dbraw/zinc/63/82/27/598638227.db2.gz QTYQZSUMAQHACZ-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccccc1C(F)(F)F ZINC000738345895 598638228 /nfs/dbraw/zinc/63/82/28/598638228.db2.gz QTYQZSUMAQHACZ-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000737223591 599324127 /nfs/dbraw/zinc/32/41/27/599324127.db2.gz ABYZBYSDKNGXEU-UHFFFAOYSA-N -2 3 362.415 2.261 20 0 FEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000737223591 599324129 /nfs/dbraw/zinc/32/41/29/599324129.db2.gz ABYZBYSDKNGXEU-UHFFFAOYSA-N -2 3 362.415 2.261 20 0 FEADHL COc1ccc([C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C(=O)[O-])cc1 ZINC000737960616 599758878 /nfs/dbraw/zinc/75/88/78/599758878.db2.gz BCXDZONKZNGQTJ-QGZVFWFLSA-N -2 3 352.346 2.092 20 0 FEADHL Cc1oc(C(=O)[O-])cc1COC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000738514346 599789234 /nfs/dbraw/zinc/78/92/34/599789234.db2.gz CMLFSCQHNAHBEY-UHFFFAOYSA-N -2 3 361.350 2.164 20 0 FEADHL O=C([O-])c1coc(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000740266917 599882123 /nfs/dbraw/zinc/88/21/23/599882123.db2.gz CNQNXGMKBPSAER-AWEZNQCLSA-N -2 3 359.334 2.031 20 0 FEADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCC(=O)[O-])cc3)ccc2O1 ZINC000736824832 599938435 /nfs/dbraw/zinc/93/84/35/599938435.db2.gz GBDFCMSMUMCZNF-LLVKDONJSA-N -2 3 363.391 2.274 20 0 FEADHL Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)C(=O)[O-])cc1 ZINC000738558634 600158477 /nfs/dbraw/zinc/15/84/77/600158477.db2.gz FIXDBAHWMVIITO-OAHLLOKOSA-N -2 3 350.374 2.435 20 0 FEADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000737957345 600359814 /nfs/dbraw/zinc/35/98/14/600359814.db2.gz JVCTULYWONAPAF-HNNXBMFYSA-N -2 3 367.361 2.290 20 0 FEADHL CC(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(=O)OC(C)C ZINC000736454878 600449457 /nfs/dbraw/zinc/44/94/57/600449457.db2.gz ZRMLIXOZNOIYSS-HNNXBMFYSA-N -2 3 371.455 2.171 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)ccc1C(=O)[O-] ZINC000327659138 600888766 /nfs/dbraw/zinc/88/87/66/600888766.db2.gz ZBSYVTHONJSXMH-UHFFFAOYSA-N -2 3 358.379 2.075 20 0 FEADHL O=C([O-])[C@H](c1ccccc1F)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000833174942 601169591 /nfs/dbraw/zinc/16/95/91/601169591.db2.gz ZCLWYRBALSEIHX-KRWDZBQOSA-N -2 3 358.369 2.115 20 0 FEADHL Cc1nc(C)c(CCC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(=O)[n-]1 ZINC000832995418 601169902 /nfs/dbraw/zinc/16/99/02/601169902.db2.gz YEUCPJFPDPWMOW-GTNSWQLSSA-N -2 3 357.410 2.310 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)cc1C(=O)[O-] ZINC000572637283 601221194 /nfs/dbraw/zinc/22/11/94/601221194.db2.gz ZZSMEFMRBGUWAA-GFCCVEGCSA-N -2 3 355.343 2.227 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2F)cc1C(=O)[O-] ZINC000833027104 601222274 /nfs/dbraw/zinc/22/22/74/601222274.db2.gz BPCVTMRFBFNAEU-JOYOIKCWSA-N -2 3 357.334 2.399 20 0 FEADHL CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C12CCCC2 ZINC000567730467 601223921 /nfs/dbraw/zinc/22/39/21/601223921.db2.gz CAUWQDOEISHDJZ-STQMWFEESA-N -2 3 357.428 2.302 20 0 FEADHL Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832951471 601229545 /nfs/dbraw/zinc/22/95/45/601229545.db2.gz KTQKTNLUXLAULL-UHFFFAOYSA-N -2 3 371.361 2.329 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Oc1ccccc1C ZINC000580711875 601399726 /nfs/dbraw/zinc/39/97/26/601399726.db2.gz PHRQDOZNIIHHAH-GFCCVEGCSA-N -2 3 353.396 2.422 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2cc(=O)[nH]c3ccccc23)cc1C(=O)[O-] ZINC000833026975 601579983 /nfs/dbraw/zinc/57/99/83/601579983.db2.gz MCYXDVIKWXQKHW-UHFFFAOYSA-N -2 3 362.363 2.019 20 0 FEADHL C[C@H](C(=O)[O-])[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000237634792 601608454 /nfs/dbraw/zinc/60/84/54/601608454.db2.gz QSZAQADEIOKHLA-NHYWBVRUSA-N -2 3 351.362 2.115 20 0 FEADHL COc1ccc(CC(=O)[N-]OCc2ccc(C(=O)[O-])c(F)c2)cc1OC ZINC000832287533 601636397 /nfs/dbraw/zinc/63/63/97/601636397.db2.gz OLOKLLPWVVICDY-UHFFFAOYSA-N -2 3 363.341 2.332 20 0 FEADHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)cc1 ZINC000739746796 602654665 /nfs/dbraw/zinc/65/46/65/602654665.db2.gz NMRZXYDDHSYFAE-UHFFFAOYSA-N -2 3 367.358 2.076 20 0 FEADHL O=C([O-])N1CCCC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000740517356 602878361 /nfs/dbraw/zinc/87/83/61/602878361.db2.gz WPMMCXCGBJKPSX-MRVPVSSYSA-N -2 3 368.242 2.199 20 0 FEADHL O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000832361979 603835300 /nfs/dbraw/zinc/83/53/00/603835300.db2.gz ZUWCBVLGLAFXOO-KBPBESRZSA-N -2 3 358.402 2.412 20 0 FEADHL Cc1nc(C)c(CC(=O)N(CCCC(=O)[O-])Cc2ccccc2)c(=O)[n-]1 ZINC000832994154 604352314 /nfs/dbraw/zinc/35/23/14/604352314.db2.gz CNMCKYXUPBYQMZ-UHFFFAOYSA-N -2 3 357.410 2.235 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2Br)s1 ZINC000236465853 604403513 /nfs/dbraw/zinc/40/35/13/604403513.db2.gz QGFUJIMNZCKVOI-UHFFFAOYSA-N -2 3 363.214 2.405 20 0 FEADHL COC[C@](C)(NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)[O-] ZINC000833720755 604730730 /nfs/dbraw/zinc/73/07/30/604730730.db2.gz FZIQLWIWYFMEIR-FQEVSTJZSA-N -2 3 357.406 2.397 20 0 FEADHL Cc1nc(C2([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])CCCC2)no1 ZINC000645947542 605017083 /nfs/dbraw/zinc/01/70/83/605017083.db2.gz WAVQYKBDDZSADS-UHFFFAOYSA-N -2 3 365.411 2.132 20 0 FEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCCCC1 ZINC000833715530 605042963 /nfs/dbraw/zinc/04/29/63/605042963.db2.gz BUPQHKFJHUOXPK-UHFFFAOYSA-N -2 3 373.402 2.068 20 0 FEADHL O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000832230793 605148994 /nfs/dbraw/zinc/14/89/94/605148994.db2.gz IETBBTQICXNIRJ-YHWZYXNKSA-N -2 3 355.394 2.321 20 0 FEADHL CC(C)[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)NC(=O)[O-] ZINC000824115741 605176276 /nfs/dbraw/zinc/17/62/76/605176276.db2.gz DYOMFWODOSZMMA-LLVKDONJSA-N -2 3 374.235 2.246 20 0 FEADHL CC(C)(C)c1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000833450567 605205610 /nfs/dbraw/zinc/20/56/10/605205610.db2.gz VPQUFPJWVMKPDU-CQSZACIVSA-N -2 3 367.423 2.287 20 0 FEADHL COc1ccc(O)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000833733965 605240708 /nfs/dbraw/zinc/24/07/08/605240708.db2.gz WZYCYFZELJPBSU-UHFFFAOYSA-N -2 3 359.306 2.178 20 0 FEADHL CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C(C)(C)O1 ZINC000833556476 605298610 /nfs/dbraw/zinc/29/86/10/605298610.db2.gz AKQAQSXQKNGNSW-SNVBAGLBSA-N -2 3 363.382 2.287 20 0 FEADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000834262063 605410811 /nfs/dbraw/zinc/41/08/11/605410811.db2.gz QFXZJSWRUAQNDM-UHFFFAOYSA-N -2 3 354.315 2.445 20 0 FEADHL C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833594405 605414390 /nfs/dbraw/zinc/41/43/90/605414390.db2.gz CDYFEBRJCAGVOC-UWVGGRQHSA-N -2 3 363.382 2.147 20 0 FEADHL CC(C)(NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000833459663 605748116 /nfs/dbraw/zinc/74/81/16/605748116.db2.gz CYGHJBLOIRGNAE-MRXNPFEDSA-N -2 3 370.405 2.233 20 0 FEADHL Cc1cncc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000822399616 606202616 /nfs/dbraw/zinc/20/26/16/606202616.db2.gz KVQUXJRSWKMNEV-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1cncc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000822399616 606202617 /nfs/dbraw/zinc/20/26/17/606202617.db2.gz KVQUXJRSWKMNEV-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL CCc1cccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c1 ZINC000821492486 606820116 /nfs/dbraw/zinc/82/01/16/606820116.db2.gz OAHLDLYKXGOUDQ-UHFFFAOYSA-N -2 3 372.454 2.296 20 0 FEADHL CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820981934 606895619 /nfs/dbraw/zinc/89/56/19/606895619.db2.gz XTHSJTNOHJICQV-UFBFGSQYSA-N -2 3 357.386 2.002 20 0 FEADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822202082 606981025 /nfs/dbraw/zinc/98/10/25/606981025.db2.gz KDCKVBHVMIPCNM-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc(Br)cc1[O-] ZINC000823380081 607107815 /nfs/dbraw/zinc/10/78/15/607107815.db2.gz PLOIWWKNMRLDBN-UHFFFAOYSA-N -2 3 367.188 2.044 20 0 FEADHL O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc(Br)cc1[O-] ZINC000823380081 607107817 /nfs/dbraw/zinc/10/78/17/607107817.db2.gz PLOIWWKNMRLDBN-UHFFFAOYSA-N -2 3 367.188 2.044 20 0 FEADHL O=S(=O)([N-]c1ccc(C(F)(F)F)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826492324 608054692 /nfs/dbraw/zinc/05/46/92/608054692.db2.gz DJVIERUKOGOPKF-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C)o1 ZINC000825333266 608292900 /nfs/dbraw/zinc/29/29/00/608292900.db2.gz ULFRSFKQUAFTDO-UHFFFAOYSA-N -2 3 362.415 2.391 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)c1-c1nn[n-]n1 ZINC000826272893 609274185 /nfs/dbraw/zinc/27/41/85/609274185.db2.gz GMETYCYWJYMNSB-UHFFFAOYSA-N -2 3 373.394 2.013 20 0 FEADHL CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824024611 609350275 /nfs/dbraw/zinc/35/02/75/609350275.db2.gz MGLZNFBLORYWIY-LLVKDONJSA-N -2 3 367.365 2.181 20 0 FEADHL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825776005 609530487 /nfs/dbraw/zinc/53/04/87/609530487.db2.gz CGKKYCDUVPYQFB-UHFFFAOYSA-N -2 3 368.806 2.180 20 0 FEADHL CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825776005 609530488 /nfs/dbraw/zinc/53/04/88/609530488.db2.gz CGKKYCDUVPYQFB-UHFFFAOYSA-N -2 3 368.806 2.180 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)C1CCC1 ZINC000663254936 678709519 /nfs/dbraw/zinc/70/95/19/678709519.db2.gz NCUJKOSBGGMFHT-QMMMGPOBSA-N -2 3 368.274 2.290 20 0 FEADHL CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000563705984 674930182 /nfs/dbraw/zinc/93/01/82/674930182.db2.gz CFWNCIIIDBDMFU-RKDXNWHRSA-N -2 3 350.487 2.184 20 0 FEADHL O=C([N-]NC(=O)c1ccc(Cl)cc1[O-])c1ccc(Br)o1 ZINC000048737507 670272900 /nfs/dbraw/zinc/27/29/00/670272900.db2.gz GORIBEQMQDSCIT-UHFFFAOYSA-N -2 3 359.563 2.476 20 0 FEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc(F)c(Cl)c2)n1 ZINC000090932966 670715432 /nfs/dbraw/zinc/71/54/32/670715432.db2.gz BGEFITGEQFTAAM-UHFFFAOYSA-N -2 3 350.780 2.112 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc([S@](C)=O)cc2)cc1C(=O)[O-] ZINC000572599204 671021734 /nfs/dbraw/zinc/02/17/34/671021734.db2.gz SMYYBQNKXVSSPD-KLVQOETNSA-N -2 3 371.436 2.063 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000573441554 671122842 /nfs/dbraw/zinc/12/28/42/671122842.db2.gz CRPDXNMDPZTYIL-UKRRQHHQSA-N -2 3 351.380 2.176 20 0 FEADHL CCO[C@H](CC[N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CCCC1 ZINC000575284277 671308023 /nfs/dbraw/zinc/30/80/23/671308023.db2.gz KQWBBZWNCGYZIY-LLVKDONJSA-N -2 3 362.473 2.105 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H](C)C(=O)[O-] ZINC000576561455 671377276 /nfs/dbraw/zinc/37/72/76/671377276.db2.gz PPDSCBLNUULKPY-BQBZGAKWSA-N -2 3 370.652 2.490 20 0 FEADHL Cc1cc(CS(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)on1 ZINC000580587947 671819806 /nfs/dbraw/zinc/81/98/06/671819806.db2.gz KEQCGDOSRXMNFC-JTQLQIEISA-N -2 3 356.425 2.490 20 0 FEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-] ZINC000581294874 671881950 /nfs/dbraw/zinc/88/19/50/671881950.db2.gz MKPAKWBRQQHBOG-RKDXNWHRSA-N -2 3 371.436 2.075 20 0 FEADHL CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)n1 ZINC000581882426 671945656 /nfs/dbraw/zinc/94/56/56/671945656.db2.gz UEWSXGGDSDFMIN-UHFFFAOYSA-N -2 3 355.441 2.012 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCCOc2c(F)cccc21 ZINC000583022151 672056113 /nfs/dbraw/zinc/05/61/13/672056113.db2.gz WGEUEYRSZQYYJN-SNVBAGLBSA-N -2 3 372.399 2.173 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000584212366 672166215 /nfs/dbraw/zinc/16/62/15/672166215.db2.gz JWBOKQYTEUJNCJ-ZETCQYMHSA-N -2 3 356.625 2.244 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)c[n-]1 ZINC000585730805 672227825 /nfs/dbraw/zinc/22/78/25/672227825.db2.gz BXLREJIQVOQSSG-UHFFFAOYSA-N -2 3 353.400 2.013 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)NCc2ccccc2)cc1Cl ZINC000189131757 672608526 /nfs/dbraw/zinc/60/85/26/672608526.db2.gz FRQHLPMVUGWWIG-UHFFFAOYSA-N -2 3 353.831 2.341 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000302481220 673016184 /nfs/dbraw/zinc/01/61/84/673016184.db2.gz SHRDCQTWVJZRBD-SSDOTTSWSA-N -2 3 370.652 2.492 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc([S@@](C)=O)cc2)oc1C(=O)[O-] ZINC000596090577 673357723 /nfs/dbraw/zinc/35/77/23/673357723.db2.gz ODPKMNWSQTUUHQ-SDWAUSNYSA-N -2 3 371.436 2.063 20 0 FEADHL O=C(Nc1ncccc1[O-])c1ccc(I)c([O-])c1 ZINC000546197891 673796573 /nfs/dbraw/zinc/79/65/73/673796573.db2.gz NXOIYNHEMIVDTA-UHFFFAOYSA-N -2 3 356.119 2.350 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])s1 ZINC000547549922 673861849 /nfs/dbraw/zinc/86/18/49/673861849.db2.gz UEWVOXYWYVDQNH-LLVKDONJSA-N -2 3 374.871 2.327 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000547618104 673875851 /nfs/dbraw/zinc/87/58/51/673875851.db2.gz VEULKLXGYLBPCU-QMTHXVAHSA-N -2 3 354.453 2.446 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1OC ZINC000548261419 673944183 /nfs/dbraw/zinc/94/41/83/673944183.db2.gz FYIGETJNTGJCJM-UHFFFAOYSA-N -2 3 373.333 2.481 20 0 FEADHL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)N1CCCCCC1 ZINC000548262083 673944391 /nfs/dbraw/zinc/94/43/91/673944391.db2.gz MKTUMYHIEMAGEA-UHFFFAOYSA-N -2 3 360.407 2.455 20 0 FEADHL C[C@H]1CCC[C@@]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)(C(=O)[O-])C1 ZINC000548836905 674000027 /nfs/dbraw/zinc/00/00/27/674000027.db2.gz AVUHMGUFPKFEGT-ZANVPECISA-N -2 3 366.361 2.412 20 0 FEADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-])C1CC1 ZINC000548991315 674010187 /nfs/dbraw/zinc/01/01/87/674010187.db2.gz XQTAJRJNZSGDOL-LDWIPMOCSA-N -2 3 368.274 2.288 20 0 FEADHL CCCc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825348716 675647967 /nfs/dbraw/zinc/64/79/67/675647967.db2.gz XOFPJTUYWZNNCJ-UHFFFAOYSA-N -2 3 350.429 2.077 20 0 FEADHL CCCc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825348716 675647969 /nfs/dbraw/zinc/64/79/69/675647969.db2.gz XOFPJTUYWZNNCJ-UHFFFAOYSA-N -2 3 350.429 2.077 20 0 FEADHL COCc1cccc(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826164915 675683529 /nfs/dbraw/zinc/68/35/29/675683529.db2.gz WXIZJONOUYDEGU-UHFFFAOYSA-N -2 3 359.411 2.122 20 0 FEADHL Cc1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nn[n-]n2)s1 ZINC000826324547 675686172 /nfs/dbraw/zinc/68/61/72/675686172.db2.gz WHKAYKPJCGXMOB-UHFFFAOYSA-N -2 3 370.847 2.394 20 0 FEADHL COCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1ccc(C)o1 ZINC000829665972 675886684 /nfs/dbraw/zinc/88/66/84/675886684.db2.gz ZPAKXCDZDFXRRW-CYBMUJFWSA-N -2 3 371.386 2.481 20 0 FEADHL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)C2(C(C)C)CC2)c(OC)c1OC ZINC000629292644 676841822 /nfs/dbraw/zinc/84/18/22/676841822.db2.gz SYGLQXHOCRSCJK-UHFFFAOYSA-N -2 3 373.427 2.341 20 0 FEADHL Cc1cc(Br)sc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C ZINC000650229549 677361286 /nfs/dbraw/zinc/36/12/86/677361286.db2.gz CBXHGFLXULEZJV-QMMMGPOBSA-N -2 3 356.263 2.207 20 0 FEADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CC1 ZINC000650427224 677373512 /nfs/dbraw/zinc/37/35/12/677373512.db2.gz CTVBOKCPYTXADQ-SSDOTTSWSA-N -2 3 371.308 2.256 20 0 FEADHL Cc1cc(Br)sc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1 ZINC000663255985 678709715 /nfs/dbraw/zinc/70/97/15/678709715.db2.gz PUUYLIKFWSTPOM-UHFFFAOYSA-N -2 3 368.274 2.352 20 0 FEADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C2CC2)n1 ZINC000663423947 678735830 /nfs/dbraw/zinc/73/58/30/678735830.db2.gz KNYGWCWBUFAUCR-LLVKDONJSA-N -2 3 356.425 2.481 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCCC3)C2)oc1C(=O)[O-] ZINC000663425995 678736179 /nfs/dbraw/zinc/73/61/79/678736179.db2.gz WTSQXDRUXATCRG-GFCCVEGCSA-N -2 3 357.428 2.446 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)oc1C(=O)[O-] ZINC000663430644 678738449 /nfs/dbraw/zinc/73/84/49/678738449.db2.gz BRSOSSFFDFGERU-IACUBPJLSA-N -2 3 351.355 2.042 20 0 FEADHL CCc1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)o1 ZINC000840894292 680850404 /nfs/dbraw/zinc/85/04/04/680850404.db2.gz QATXZBZPHZQMAR-UHFFFAOYSA-N -2 3 374.802 2.076 20 0 FEADHL CC(C)(CCC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000837290031 680581604 /nfs/dbraw/zinc/58/16/04/680581604.db2.gz LVRVFIUNJNLIPD-UHFFFAOYSA-N -2 3 361.807 2.046 20 0 FEADHL Cn1cc(S(=O)(=O)[N-]CCC2(CC(=O)[O-])CCCCC2)nc1Cl ZINC000837291519 680582356 /nfs/dbraw/zinc/58/23/56/680582356.db2.gz JTYKICDBWNDBQU-UHFFFAOYSA-N -2 3 363.867 2.167 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c(C)o1 ZINC000769244080 680975244 /nfs/dbraw/zinc/97/52/44/680975244.db2.gz MADDVEPCHBXQIH-UHFFFAOYSA-N -2 3 367.408 2.178 20 0 FEADHL Cc1cnc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(C)c1 ZINC000846766755 681286672 /nfs/dbraw/zinc/28/66/72/681286672.db2.gz JUOAZIKKQPPQFC-UHFFFAOYSA-N -2 3 370.377 2.196 20 0 FEADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1F ZINC000776560899 681405364 /nfs/dbraw/zinc/40/53/64/681405364.db2.gz TURFPMUJNYUGJG-UHFFFAOYSA-N -2 3 369.301 2.134 20 0 FEADHL CC(C)(C)[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-] ZINC000780687586 681860587 /nfs/dbraw/zinc/86/05/87/681860587.db2.gz FFCUZWCFTMGJKO-LLVKDONJSA-N -2 3 359.220 2.453 20 0 FEADHL C[C@H](CC[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000790591866 682687180 /nfs/dbraw/zinc/68/71/80/682687180.db2.gz UUMFIOLHYOHSMA-SSDOTTSWSA-N -2 3 370.652 2.492 20 0 FEADHL CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)o1 ZINC000793346532 682883584 /nfs/dbraw/zinc/88/35/84/682883584.db2.gz RQUPCYGOCNRXFI-UHFFFAOYSA-N -2 3 374.365 2.390 20 0 FEADHL C[C@H](CC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000793986927 682923920 /nfs/dbraw/zinc/92/39/20/682923920.db2.gz TXGGQVFSIZQADD-SSDOTTSWSA-N -2 3 359.297 2.113 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCSCCC(F)(F)F)oc1C(=O)[O-] ZINC000871998390 684908724 /nfs/dbraw/zinc/90/87/24/684908724.db2.gz ARSJWFODPZDIHE-UHFFFAOYSA-N -2 3 361.363 2.250 20 0 FEADHL C[C@@H](C(=O)[O-])N(C(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000909159103 691787742 /nfs/dbraw/zinc/78/77/42/691787742.db2.gz JDULXEIBDCQCSU-QMMMGPOBSA-N -2 3 357.204 2.302 20 0 FEADHL C/C=C\C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-] ZINC000909160137 691788165 /nfs/dbraw/zinc/78/81/65/691788165.db2.gz VREVPKUPZAHAHS-QUCGXOGASA-N -2 3 357.204 2.373 20 0 FEADHL COC1(C[C@@H](NC(=O)CCCc2ccc([O-])c(F)c2)C(=O)[O-])CCC1 ZINC000909892639 691867993 /nfs/dbraw/zinc/86/79/93/691867993.db2.gz CXVMZOOTKHKBKR-CQSZACIVSA-N -2 3 353.390 2.383 20 0 FEADHL O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)c1cc([O-])cc(Br)c1 ZINC000910248569 691906516 /nfs/dbraw/zinc/90/65/16/691906516.db2.gz ZFLKHHRCCCSKFB-RNCFNFMXSA-N -2 3 372.215 2.154 20 0 FEADHL O=C([O-])CC1(CC(=O)N[N-]C(=O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000024151118 539726679 /nfs/dbraw/zinc/72/66/79/539726679.db2.gz DPJHMHVIUUHBOG-UHFFFAOYSA-N -2 3 363.370 2.171 20 0 FEADHL Cc1ncc(CNC(=O)N=c2[n-]nc(Cc3cccc(F)c3)s2)c(=O)[n-]1 ZINC000542375235 541392316 /nfs/dbraw/zinc/39/23/16/541392316.db2.gz LZAHWKNBZPXSQO-UHFFFAOYSA-N -2 3 374.401 2.394 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cc(Cl)ccc1F ZINC000551107665 674124440 /nfs/dbraw/zinc/12/44/40/674124440.db2.gz XQJOWFOWWUSFMB-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000096837658 543000044 /nfs/dbraw/zinc/00/00/44/543000044.db2.gz HXYYBSAXPXXVTI-SFYZADRCSA-N -2 3 368.274 2.432 20 0 FEADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000123877315 543788984 /nfs/dbraw/zinc/78/89/84/543788984.db2.gz WMGGSHZPCWFXKZ-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(Br)s2)o1 ZINC000126768260 543955514 /nfs/dbraw/zinc/95/55/14/543955514.db2.gz YNLOAFXHXOOBKZ-UHFFFAOYSA-N -2 3 366.214 2.280 20 0 FEADHL CC(C)N(CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)C(C)C ZINC000184864964 327886383 /nfs/dbraw/zinc/88/63/83/327886383.db2.gz GYPDLSPRWVQVCM-UHFFFAOYSA-N -2 3 364.414 2.060 20 0 FEADHL CN(C)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1cccs1 ZINC000237042209 328502419 /nfs/dbraw/zinc/50/24/19/328502419.db2.gz JLGIFVSSXHNNPY-SNVBAGLBSA-N -2 3 360.482 2.089 20 0 FEADHL O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1ccccc1[O-] ZINC000122062727 326382667 /nfs/dbraw/zinc/38/26/67/326382667.db2.gz OZIYJKZPVBHYIE-UHFFFAOYSA-N -2 3 374.340 2.485 20 0 FEADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc([O-])c2F)o1 ZINC000129496521 326541581 /nfs/dbraw/zinc/54/15/81/326541581.db2.gz KSTFRJUHQSPZJJ-UHFFFAOYSA-N -2 3 356.375 2.453 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c(C)c1C ZINC000164351997 327068914 /nfs/dbraw/zinc/06/89/14/327068914.db2.gz VEEZGIUUMSTLCZ-UHFFFAOYSA-N -2 3 373.438 2.217 20 0 FEADHL O=C(NC[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1)c1ccccc1[O-] ZINC000176743627 327472977 /nfs/dbraw/zinc/47/29/77/327472977.db2.gz MNNQIIKDUDOJJQ-AWEZNQCLSA-N -2 3 354.406 2.380 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCCO2)c(Cl)cc1F ZINC000273700660 329884941 /nfs/dbraw/zinc/88/49/41/329884941.db2.gz NNXDTGPBDRNMKS-MRVPVSSYSA-N -2 3 351.783 2.025 20 0 FEADHL O=C([O-])CCCN1CCC([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000274947603 329995580 /nfs/dbraw/zinc/99/55/80/329995580.db2.gz HNRZJJBCDASLGC-UHFFFAOYSA-N -2 3 366.892 2.009 20 0 FEADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000554531009 674322003 /nfs/dbraw/zinc/32/20/03/674322003.db2.gz DDEGJDYPQMOAOI-ZWNOBZJWSA-N -2 3 366.361 2.412 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)ccc1F ZINC000484575401 561300496 /nfs/dbraw/zinc/30/04/96/561300496.db2.gz QPWZBKWBFHJORH-UHFFFAOYSA-N -2 3 370.333 2.422 20 0 FEADHL CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C)c(C(=O)[O-])c3)ccc21 ZINC000484825058 561306639 /nfs/dbraw/zinc/30/66/39/561306639.db2.gz XGXGBEICGYZKGC-UHFFFAOYSA-N -2 3 374.418 2.403 20 0 FEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]C[C@H](C)N2CCC(C)CC2)c1F ZINC000184967207 547909359 /nfs/dbraw/zinc/90/93/59/547909359.db2.gz UKZXNQZBRJGMJB-ZDUSSCGKSA-N -2 3 372.462 2.231 20 0 FEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(F)c1 ZINC000485272931 561316093 /nfs/dbraw/zinc/31/60/93/561316093.db2.gz ZAWSTPPEUQWDAR-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL O=C([O-])CCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000262456802 549821129 /nfs/dbraw/zinc/82/11/29/549821129.db2.gz IFZFRVKSLYPLMC-UHFFFAOYSA-N -2 3 356.625 2.246 20 0 FEADHL C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000273728636 550509540 /nfs/dbraw/zinc/50/95/40/550509540.db2.gz RNXHQOAEONLEQA-RITPCOANSA-N -2 3 354.247 2.143 20 0 FEADHL CCc1c([N-]C(=O)c2coc(S(=O)(=O)[N-]C)c2)onc1C(F)(F)F ZINC000278580041 550800870 /nfs/dbraw/zinc/80/08/70/550800870.db2.gz JIZNHDOTIVFYCA-UHFFFAOYSA-N -2 3 367.305 2.009 20 0 FEADHL O=C(Nc1ncccc1[O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ncccc1[O-] ZINC000279755548 550925473 /nfs/dbraw/zinc/92/54/73/550925473.db2.gz LNEZILYYIZKKKJ-VXGBXAGGSA-N -2 3 356.382 2.271 20 0 FEADHL CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(Cc2nc(C(=O)[O-])cs2)cc1 ZINC000282240206 551199662 /nfs/dbraw/zinc/19/96/62/551199662.db2.gz QAGJJHXNDZORTC-JTQLQIEISA-N -2 3 370.452 2.209 20 0 FEADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000282882934 551281397 /nfs/dbraw/zinc/28/13/97/551281397.db2.gz CUZKFKZTCALCAH-ZCFIWIBFSA-N -2 3 356.625 2.244 20 0 FEADHL Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000285014702 551689745 /nfs/dbraw/zinc/68/97/45/551689745.db2.gz BMFLLLIYDMVYMJ-UHFFFAOYSA-N -2 3 356.375 2.342 20 0 FEADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000292385406 552722012 /nfs/dbraw/zinc/72/20/12/552722012.db2.gz HTAZRNWKSVCCQX-ZJUUUORDSA-N -2 3 366.361 2.412 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CCC(=O)[O-])oc1C ZINC000296821709 553216177 /nfs/dbraw/zinc/21/61/77/553216177.db2.gz AOUVGWXOBISYQK-WCQYABFASA-N -2 3 373.427 2.077 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])oc1C ZINC000296821705 553216264 /nfs/dbraw/zinc/21/62/64/553216264.db2.gz AOUVGWXOBISYQK-DGCLKSJQSA-N -2 3 373.427 2.077 20 0 FEADHL O=C1CCc2cc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)c(F)cc2N1 ZINC000504300083 561655771 /nfs/dbraw/zinc/65/57/71/561655771.db2.gz SZYZOBFTBZYDBN-UHFFFAOYSA-N -2 3 354.334 2.356 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c(C(=O)[O-])c1 ZINC000504704376 561661525 /nfs/dbraw/zinc/66/15/25/561661525.db2.gz VXLLXIJAEVEMBE-UHFFFAOYSA-N -2 3 365.363 2.231 20 0 FEADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)sc1C(=O)[O-] ZINC000316100258 553760891 /nfs/dbraw/zinc/76/08/91/553760891.db2.gz RXXSZJHUJWPLRJ-UHFFFAOYSA-N -2 3 364.807 2.421 20 0 FEADHL CCc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2CC)s1 ZINC000323293964 553769521 /nfs/dbraw/zinc/76/95/21/553769521.db2.gz QIAIVABOXNGVFD-UHFFFAOYSA-N -2 3 354.453 2.445 20 0 FEADHL COC(=O)c1ccc(CS(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1 ZINC000327307450 553787656 /nfs/dbraw/zinc/78/76/56/553787656.db2.gz SVLSVWGPHNWOOK-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000327401431 553788573 /nfs/dbraw/zinc/78/85/73/553788573.db2.gz USUUBVXOSHDCTC-UHFFFAOYSA-N -2 3 362.407 2.328 20 0 FEADHL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)N2CCCC2)c1 ZINC000331008504 554200772 /nfs/dbraw/zinc/20/07/72/554200772.db2.gz QZMWCEPBYBQXSU-UHFFFAOYSA-N -2 3 354.306 2.036 20 0 FEADHL O=S(=O)([N-]Cc1nc(-c2ccc([O-])c(F)c2)no1)c1cccs1 ZINC000350830600 554816774 /nfs/dbraw/zinc/81/67/74/554816774.db2.gz DRWJCCURHFAINS-UHFFFAOYSA-N -2 3 355.372 2.121 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)c2ccccc2)o1 ZINC000516056777 562029018 /nfs/dbraw/zinc/02/90/18/562029018.db2.gz ARXFFFBGFLOCOY-GXTWGEPZSA-N -2 3 365.407 2.424 20 0 FEADHL C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000516510407 562045455 /nfs/dbraw/zinc/04/54/55/562045455.db2.gz PDCDBAARDPPQTP-PSLIRLAXSA-N -2 3 351.355 2.324 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-][C@@H](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000517736389 562096809 /nfs/dbraw/zinc/09/68/09/562096809.db2.gz OUOSTLJCUYEKSP-AAEUAGOBSA-N -2 3 369.464 2.367 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC3(CCC3)C2)c1F ZINC000372265965 557425091 /nfs/dbraw/zinc/42/50/91/557425091.db2.gz CVORHZVANQEXLE-SWLSCSKDSA-N -2 3 371.430 2.215 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000521620834 562180506 /nfs/dbraw/zinc/18/05/06/562180506.db2.gz MRDWCSAQXHLBHB-OCCSQVGLSA-N -2 3 373.333 2.065 20 0 FEADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000526060632 562265592 /nfs/dbraw/zinc/26/55/92/562265592.db2.gz HFFRKYTUEXWTRQ-JTQLQIEISA-N -2 3 364.807 2.348 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CC(C)(C)c2ccccn2)c1 ZINC000414323509 559156181 /nfs/dbraw/zinc/15/61/81/559156181.db2.gz HCPIGEQFBORESF-UHFFFAOYSA-N -2 3 366.414 2.483 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1ccccn1 ZINC000414333915 559156920 /nfs/dbraw/zinc/15/69/20/559156920.db2.gz TZXQDHFGJZPLFJ-UHFFFAOYSA-N -2 3 352.387 2.175 20 0 FEADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000424372907 559662198 /nfs/dbraw/zinc/66/21/98/559662198.db2.gz XASRKVWGBDFYNP-UHFFFAOYSA-N -2 3 365.249 2.013 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c(C)c1 ZINC000427294863 559752475 /nfs/dbraw/zinc/75/24/75/559752475.db2.gz KRMSBFIYBAXGNE-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL CC(C)COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cn1 ZINC000433502322 559883155 /nfs/dbraw/zinc/88/31/55/559883155.db2.gz PKKLYUTYQAPTCN-UHFFFAOYSA-N -3 3 366.395 2.321 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)ccc1[O-] ZINC000436650130 559947845 /nfs/dbraw/zinc/94/78/45/559947845.db2.gz QTFQYCKMHCQXKP-UHFFFAOYSA-N -2 3 357.771 2.339 20 0 FEADHL C[C@@]1(c2cccc(NC(=O)c3ccc(Cl)cc3[O-])c2)NC(=O)[N-]C1=O ZINC000436725643 559950215 /nfs/dbraw/zinc/95/02/15/559950215.db2.gz YMALRZIONIWBLN-KRWDZBQOSA-N -2 3 359.769 2.353 20 0 FEADHL O=C(c1cc(Br)ccc1[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000436791729 559952247 /nfs/dbraw/zinc/95/22/47/559952247.db2.gz KRVGKIUENAONFV-UHFFFAOYSA-N -2 3 368.187 2.263 20 0 FEADHL COC(=O)c1cccc2nc(NC(=O)c3cc(NC(C)=O)ccc3[O-])[n-]c21 ZINC000436880463 559955090 /nfs/dbraw/zinc/95/50/90/559955090.db2.gz JQRPSVRSQUMQMD-UHFFFAOYSA-N -2 3 368.349 2.266 20 0 FEADHL COC(=O)c1cccc2[n-]c(NC(=O)c3cc(NC(C)=O)ccc3[O-])nc21 ZINC000436880463 559955091 /nfs/dbraw/zinc/95/50/91/559955091.db2.gz JQRPSVRSQUMQMD-UHFFFAOYSA-N -2 3 368.349 2.266 20 0 FEADHL CCOC(=O)c1scnc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443450810 560084149 /nfs/dbraw/zinc/08/41/49/560084149.db2.gz WABYAYPCMYPPSG-WAYWQWQTSA-N -2 3 363.395 2.311 20 0 FEADHL CO[C@H](C)CS(=O)(=O)[N-]c1cc(Br)c(F)cc1C(=O)[O-] ZINC000451077142 560285802 /nfs/dbraw/zinc/28/58/02/560285802.db2.gz JRUOKZLFLHCTTP-ZCFIWIBFSA-N -2 3 370.196 2.063 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC=C(C)C)c(F)c1 ZINC000451456699 560308244 /nfs/dbraw/zinc/30/82/44/560308244.db2.gz LKVIEDJONBXUED-UHFFFAOYSA-N -2 3 364.464 2.222 20 0 FEADHL Cc1nc(C)c(CCC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c(=O)[n-]1 ZINC000467717326 560915928 /nfs/dbraw/zinc/91/59/28/560915928.db2.gz AYNAIVNWFHNVMF-UHFFFAOYSA-N -2 3 373.363 3.039 20 0 FEADHL CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474435614 561074128 /nfs/dbraw/zinc/07/41/28/561074128.db2.gz SCFOUDPBASRQEC-HQJQHLMTSA-N -2 3 352.815 2.087 20 0 FEADHL C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-] ZINC000530143745 562399817 /nfs/dbraw/zinc/39/98/17/562399817.db2.gz QDMAWXSBWHBDIU-XVKPBYJWSA-N -2 3 364.217 2.066 20 0 FEADHL COCCOc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000537197963 562587669 /nfs/dbraw/zinc/58/76/69/562587669.db2.gz OUUSKIZEPYOTLF-UHFFFAOYSA-N -2 3 353.396 2.227 20 0 FEADHL CO[C@@H](C)c1nc(=NC(=O)Cc2ccc(Br)cc2[O-])s[n-]1 ZINC000549781822 562639794 /nfs/dbraw/zinc/63/97/94/562639794.db2.gz LDKWLNPGWUVJKJ-ZETCQYMHSA-N -2 3 372.244 2.317 20 0 FEADHL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737040967 598948097 /nfs/dbraw/zinc/94/80/97/598948097.db2.gz RQIXNSSWKCABQA-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1sccc1C ZINC000736635519 599098486 /nfs/dbraw/zinc/09/84/86/599098486.db2.gz VWVYCWARFPDHOD-UHFFFAOYSA-N -2 3 365.440 2.436 20 0 FEADHL Cc1cc(F)cc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822203548 607307397 /nfs/dbraw/zinc/30/73/97/607307397.db2.gz YYBSOOJOMYDRSO-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1cc(F)cc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822203548 607307398 /nfs/dbraw/zinc/30/73/98/607307398.db2.gz YYBSOOJOMYDRSO-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C)cc1F ZINC000737062087 598283152 /nfs/dbraw/zinc/28/31/52/598283152.db2.gz FPBLWAGYCLYHCM-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1C(=O)[O-] ZINC000543664440 599746951 /nfs/dbraw/zinc/74/69/51/599746951.db2.gz WWYQMVIVHMFNAD-UHFFFAOYSA-N -3 3 365.363 2.283 20 0 FEADHL Cc1oc(COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1C(=O)[O-] ZINC000738979786 599749243 /nfs/dbraw/zinc/74/92/43/599749243.db2.gz DJMNMAHXKGKISN-UHFFFAOYSA-N -2 3 371.342 2.154 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3ccc(F)cc32)o1 ZINC000573321474 599773181 /nfs/dbraw/zinc/77/31/81/599773181.db2.gz MRNBPJHGDWYQNR-NSHDSACASA-N -2 3 355.343 2.309 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1cc(F)ccc1F ZINC000681567349 599814217 /nfs/dbraw/zinc/81/42/17/599814217.db2.gz WVCZAFNLFINTNL-ZDUSSCGKSA-N -2 3 363.288 2.347 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)Cc1cccc(F)c1 ZINC000739501877 600445122 /nfs/dbraw/zinc/44/51/22/600445122.db2.gz KLQCRFCQIHTHCD-LLVKDONJSA-N -2 3 372.805 2.096 20 0 FEADHL COC(=O)c1sc2[n-]c(CSC[C@H](C)C(=O)[O-])nc(=O)c2c1C ZINC000737722784 600605704 /nfs/dbraw/zinc/60/57/04/600605704.db2.gz CBMCTFFOJWQONF-LURJTMIESA-N -2 3 356.425 2.034 20 0 FEADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000021954127 600631103 /nfs/dbraw/zinc/63/11/03/600631103.db2.gz PEWDHJBUXMLCOB-UHFFFAOYSA-N -2 3 354.197 2.363 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCOCC2)o1 ZINC000740174100 600637871 /nfs/dbraw/zinc/63/78/71/600637871.db2.gz RXFRROCQNPVLPU-MRXNPFEDSA-N -2 3 365.407 2.424 20 0 FEADHL COc1cc(C=CC(=O)[O-])ccc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000737880537 600765290 /nfs/dbraw/zinc/76/52/90/600765290.db2.gz ZYFOHPWMGOSUQG-ALCCZGGFSA-N -2 3 366.395 2.407 20 0 FEADHL Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)co2)cc1 ZINC000832907961 600792122 /nfs/dbraw/zinc/79/21/22/600792122.db2.gz CHILPJMCVYLJFJ-UHFFFAOYSA-N -2 3 362.363 2.420 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2nc3ccccc3s2)o1 ZINC000833323414 600997233 /nfs/dbraw/zinc/99/72/33/600997233.db2.gz QMBAGFANILTGCB-UHFFFAOYSA-N -2 3 352.393 2.109 20 0 FEADHL O=C([O-])C[C@@H]1CSCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000833223477 601016287 /nfs/dbraw/zinc/01/62/87/601016287.db2.gz PBDSACZQPKYXIP-SNVBAGLBSA-N -2 3 359.407 2.474 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC000833027398 601215204 /nfs/dbraw/zinc/21/52/04/601215204.db2.gz SEGFRDWNVHBLPV-UHFFFAOYSA-N -2 3 361.322 2.366 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c1F ZINC000833294028 601229455 /nfs/dbraw/zinc/22/94/55/601229455.db2.gz LQQSIRLOXUACKL-UHFFFAOYSA-N -2 3 351.714 2.388 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(C)o1 ZINC000567798417 601261567 /nfs/dbraw/zinc/26/15/67/601261567.db2.gz OKSNWYSIGAGXDM-AWEZNQCLSA-N -2 3 353.396 2.093 20 0 FEADHL CSc1nc(=O)[n-]c(C)c1C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000327098098 601289029 /nfs/dbraw/zinc/28/90/29/601289029.db2.gz BADIZPCSIUKDEE-SNVBAGLBSA-N -2 3 359.407 2.431 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])ccc1F ZINC000060471986 601322998 /nfs/dbraw/zinc/32/29/98/601322998.db2.gz BJJAOGCIBXQYIH-UHFFFAOYSA-N -3 3 357.290 2.162 20 0 FEADHL CCCCC[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000829341644 601403899 /nfs/dbraw/zinc/40/38/99/601403899.db2.gz ZVSNYPSFIFLDSZ-JTQLQIEISA-N -2 3 365.249 2.156 20 0 FEADHL C[C@@H](CS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000827550784 601796871 /nfs/dbraw/zinc/79/68/71/601796871.db2.gz CNEFTRWCTDBHJT-IUCAKERBSA-N -2 3 373.818 2.091 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)C[C@@H](O)c2ccccc2)cc1C(=O)[O-] ZINC000833027520 601884826 /nfs/dbraw/zinc/88/48/26/601884826.db2.gz GMTKSDBKKGDUQN-IINYFYTJSA-N -2 3 353.396 2.077 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000825643460 607531864 /nfs/dbraw/zinc/53/18/64/607531864.db2.gz OLKGAYLWKAXTKY-UHFFFAOYSA-N -2 3 359.411 2.375 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c(C)c1 ZINC000826210162 607535910 /nfs/dbraw/zinc/53/59/10/607535910.db2.gz HCFHHFDZXMXDCY-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc(C(=O)[O-])c1F ZINC000326994727 601982657 /nfs/dbraw/zinc/98/26/57/601982657.db2.gz ZMVNBAZOFFSXGV-UHFFFAOYSA-N -3 3 371.317 2.470 20 0 FEADHL COC(=O)[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831107987 601991998 /nfs/dbraw/zinc/99/19/98/601991998.db2.gz PVQBMMHKJGEXII-YPMHNXCESA-N -2 3 373.427 2.077 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c(Br)o1 ZINC000380317616 602008856 /nfs/dbraw/zinc/00/88/56/602008856.db2.gz MSKJOYBGXKMKIH-RXMQYKEDSA-N -2 3 374.159 2.206 20 0 FEADHL CCc1cc(=O)[n-]c(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)n1 ZINC000830224796 602237020 /nfs/dbraw/zinc/23/70/20/602237020.db2.gz WFVALYKFMWJSDX-AWEZNQCLSA-N -2 3 366.215 2.423 20 0 FEADHL Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC([C@@H](C)NC(=O)[O-])CC1)c2=O ZINC000740152906 602460848 /nfs/dbraw/zinc/46/08/48/602460848.db2.gz HFATZYVJWSAFPO-LLVKDONJSA-N -2 3 358.398 2.152 20 0 FEADHL CCN(CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000739434163 602552104 /nfs/dbraw/zinc/55/21/04/602552104.db2.gz MLPYTNNBRSRGFQ-UHFFFAOYSA-N -2 3 358.313 2.123 20 0 FEADHL C[C@@](CNC(=O)[O-])([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000738924036 602708129 /nfs/dbraw/zinc/70/81/29/602708129.db2.gz HKEUHYODTFMLBX-ZDUSSCGKSA-N -2 3 350.799 2.194 20 0 FEADHL O=C([O-])N1CCCC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000740517078 602880311 /nfs/dbraw/zinc/88/03/11/602880311.db2.gz CMVOQAGFDDARPP-QMMMGPOBSA-N -2 3 368.242 2.199 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CC(C)(C)NC(=O)[O-])sc1Br ZINC000830132149 603508780 /nfs/dbraw/zinc/50/87/80/603508780.db2.gz DOKDZEXTFHIVDR-UHFFFAOYSA-N -2 3 371.278 2.144 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1F ZINC000830054905 604262341 /nfs/dbraw/zinc/26/23/41/604262341.db2.gz LSSBBBOLAXDCEB-FGWVZKOKSA-N -2 3 360.382 2.225 20 0 FEADHL O=C([O-])N(CCNC(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000831684774 604269683 /nfs/dbraw/zinc/26/96/83/604269683.db2.gz FXUIIIRAXLLXFZ-UHFFFAOYSA-N -2 3 372.219 2.096 20 0 FEADHL Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1)c2=O ZINC000830438847 604297796 /nfs/dbraw/zinc/29/77/96/604297796.db2.gz MFKLJWZJCGUNBV-RYUDHWBXSA-N -2 3 358.398 2.152 20 0 FEADHL Cc1nc(C)c(CCC(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)c(=O)[n-]1 ZINC000830716461 604446153 /nfs/dbraw/zinc/44/61/53/604446153.db2.gz SBEFNOVDHQIARF-NSHDSACASA-N -2 3 372.425 2.377 20 0 FEADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000833732341 604527922 /nfs/dbraw/zinc/52/79/22/604527922.db2.gz MPRQEUUFADARAL-MRXNPFEDSA-N -2 3 372.377 2.305 20 0 FEADHL CC1(c2ccccc2)CC([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000564918058 605025374 /nfs/dbraw/zinc/02/53/74/605025374.db2.gz HUZFDUWKDQCBQJ-UHFFFAOYSA-N -2 3 352.437 2.240 20 0 FEADHL COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(OCC(=O)[O-])c3)nc21 ZINC000833716489 605061491 /nfs/dbraw/zinc/06/14/91/605061491.db2.gz IUGDSWQYJUZWLE-UHFFFAOYSA-N -2 3 369.333 2.065 20 0 FEADHL CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313419 605075157 /nfs/dbraw/zinc/07/51/57/605075157.db2.gz HZAZEKRGSMHIAW-SSDOTTSWSA-N -2 3 354.222 2.453 20 0 FEADHL O=C([O-])N[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000832365784 605190945 /nfs/dbraw/zinc/19/09/45/605190945.db2.gz NNYPGFASDAMINK-SNVBAGLBSA-N -2 3 372.219 2.096 20 0 FEADHL CC[C@@](C)(CNC(=O)[O-])C(=O)NCc1ccc([O-])c(Br)c1 ZINC000833838982 605711756 /nfs/dbraw/zinc/71/17/56/605711756.db2.gz SXEQXVNWVMTLTG-AWEZNQCLSA-N -2 3 359.220 2.455 20 0 FEADHL O=C([O-])C=Cc1cnc(C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)s1 ZINC000823387514 606196305 /nfs/dbraw/zinc/19/63/05/606196305.db2.gz NNDJGSYRCARNBT-JGDUWUCISA-N -2 3 365.378 2.239 20 0 FEADHL O=C([O-])C=Cc1cnc(C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)s1 ZINC000823387514 606196307 /nfs/dbraw/zinc/19/63/07/606196307.db2.gz NNDJGSYRCARNBT-JGDUWUCISA-N -2 3 365.378 2.239 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(C)n1 ZINC000822259243 606695861 /nfs/dbraw/zinc/69/58/61/606695861.db2.gz QMLNNCMYRGQELY-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(C)n1 ZINC000822259243 606695862 /nfs/dbraw/zinc/69/58/62/606695862.db2.gz QMLNNCMYRGQELY-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)s1 ZINC000822267235 606821058 /nfs/dbraw/zinc/82/10/58/606821058.db2.gz PHQCUSYWCAMQQT-UHFFFAOYSA-N -2 3 364.456 2.103 20 0 FEADHL CC(C)CC1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000820063210 606894999 /nfs/dbraw/zinc/89/49/99/606894999.db2.gz UALIPZQUFOBFSH-UHFFFAOYSA-N -2 3 371.413 2.250 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1-c1nn[n-]n1 ZINC000826303841 608528157 /nfs/dbraw/zinc/52/81/57/608528157.db2.gz HWTFBBSWRXFXRR-UHFFFAOYSA-N -2 3 357.395 2.006 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1Cl ZINC000826303714 608583411 /nfs/dbraw/zinc/58/34/11/608583411.db2.gz BFHZFHGYQYKBRU-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1nnc(SCc2nc(=O)c3sccc3[n-]2)c(-c2nnn[n-]2)c1C ZINC000826337338 609306508 /nfs/dbraw/zinc/30/65/08/609306508.db2.gz LDDQIUJUTCINEW-UHFFFAOYSA-N -2 3 372.439 2.276 20 0 FEADHL Cc1nnc(SCc2nc(=O)c3sccc3[n-]2)c(-c2nn[n-]n2)c1C ZINC000826337338 609306510 /nfs/dbraw/zinc/30/65/10/609306510.db2.gz LDDQIUJUTCINEW-UHFFFAOYSA-N -2 3 372.439 2.276 20 0 FEADHL O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826493175 609460575 /nfs/dbraw/zinc/46/05/75/609460575.db2.gz XAZGOWXBJXCKAB-UHFFFAOYSA-N -2 3 374.401 2.080 20 0 FEADHL O=S(=O)([N-]c1cnc2c(c1)CCCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826493175 609460577 /nfs/dbraw/zinc/46/05/77/609460577.db2.gz XAZGOWXBJXCKAB-UHFFFAOYSA-N -2 3 374.401 2.080 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492951 609526258 /nfs/dbraw/zinc/52/62/58/609526258.db2.gz MTURYURFTPHVBI-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492951 609526260 /nfs/dbraw/zinc/52/62/60/609526260.db2.gz MTURYURFTPHVBI-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL CC(C)n1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000824371458 609527638 /nfs/dbraw/zinc/52/76/38/609527638.db2.gz GQZUKLHYKDRUKQ-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL CC(C)n1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000824371458 609527639 /nfs/dbraw/zinc/52/76/39/609527639.db2.gz GQZUKLHYKDRUKQ-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL O=C(CCOc1ccccc1)[N-][N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000060838704 670389852 /nfs/dbraw/zinc/38/98/52/670389852.db2.gz ZJYQIQOBSHRIFE-UHFFFAOYSA-N -2 3 354.815 2.119 20 0 FEADHL COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000569139912 670516183 /nfs/dbraw/zinc/51/61/83/670516183.db2.gz YSKNHKSHLUVKLD-QWHCGFSZSA-N -2 3 351.380 2.129 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)[C@H](C)C(=O)[O-] ZINC000565406528 675118695 /nfs/dbraw/zinc/11/86/95/675118695.db2.gz NLGZJZJNQZUZRE-NKWVEPMBSA-N -2 3 359.297 2.112 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCCCOc1ccc(F)cc1 ZINC000569966850 670642184 /nfs/dbraw/zinc/64/21/84/670642184.db2.gz NWZBDIYTGPLGNR-UHFFFAOYSA-N -2 3 374.415 2.118 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)c(F)cc1Br ZINC000571531410 670887936 /nfs/dbraw/zinc/88/79/36/670887936.db2.gz XUQSLFQNJAACJD-NSHDSACASA-N -2 3 368.224 2.284 20 0 FEADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000572817248 671047390 /nfs/dbraw/zinc/04/73/90/671047390.db2.gz VKONKAOLXGTZEL-MRVPVSSYSA-N -2 3 373.324 2.359 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC000573917024 671181532 /nfs/dbraw/zinc/18/15/32/671181532.db2.gz JOTYGDQEOVDHGY-SNVBAGLBSA-N -2 3 354.453 2.486 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)o1 ZINC000566173204 675189572 /nfs/dbraw/zinc/18/95/72/675189572.db2.gz HXRGDJVZIJFHRY-RISCZKNCSA-N -2 3 371.798 2.440 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H](C)C(=O)[O-] ZINC000576561458 671377427 /nfs/dbraw/zinc/37/74/27/671377427.db2.gz PPDSCBLNUULKPY-RNFRBKRXSA-N -2 3 370.652 2.490 20 0 FEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-] ZINC000581294873 671882022 /nfs/dbraw/zinc/88/20/22/671882022.db2.gz MKPAKWBRQQHBOG-IUCAKERBSA-N -2 3 371.436 2.075 20 0 FEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)n1 ZINC000583355529 672086859 /nfs/dbraw/zinc/08/68/59/672086859.db2.gz RQKZWYNRUCLLGP-UHFFFAOYSA-N -2 3 372.371 2.400 20 0 FEADHL Cc1cc(C(=O)[N-]NC(=O)c2cc(Cl)ccc2[O-])nc(C(F)(F)F)n1 ZINC000188191527 672585856 /nfs/dbraw/zinc/58/58/56/672585856.db2.gz XWXSTQCGCAZDQQ-UHFFFAOYSA-N -2 3 374.706 2.238 20 0 FEADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-][N-]C(=O)NCc1ccccc1 ZINC000189127065 672608014 /nfs/dbraw/zinc/60/80/14/672608014.db2.gz QKVDNWWKCUTCJA-UHFFFAOYSA-N -2 3 353.831 2.341 20 0 FEADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1F ZINC000427306959 673210621 /nfs/dbraw/zinc/21/06/21/673210621.db2.gz DYWBZPTVRLSPKU-UHFFFAOYSA-N -2 3 352.299 2.172 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc(C(=O)[O-])c1 ZINC000436667098 673218285 /nfs/dbraw/zinc/21/82/85/673218285.db2.gz SQVZTPKVQBWHEH-UHFFFAOYSA-N -3 3 365.363 2.206 20 0 FEADHL Cc1nc(C=Cc2cnn(CC(F)(F)F)c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443445274 673223813 /nfs/dbraw/zinc/22/38/13/673223813.db2.gz QXHFEKFKISQQSS-DUXPYHPUSA-N -2 3 356.304 2.437 20 0 FEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1C(=O)[O-] ZINC000537580472 673395624 /nfs/dbraw/zinc/39/56/24/673395624.db2.gz KNRHNNSTYXYIQB-UHFFFAOYSA-N -2 3 353.327 2.362 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])c1 ZINC000538298476 673432604 /nfs/dbraw/zinc/43/26/04/673432604.db2.gz MSEVHTAVHBSFGA-UHFFFAOYSA-N -3 3 359.306 2.178 20 0 FEADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cs1)C(=O)[O-] ZINC000547613118 673874104 /nfs/dbraw/zinc/87/41/04/673874104.db2.gz YDHJVOOJTTUWDD-ONGXEEELSA-N -2 3 363.457 2.093 20 0 FEADHL O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000547874310 673895691 /nfs/dbraw/zinc/89/56/91/673895691.db2.gz WXFOBEVWALAULP-KWQFWETISA-N -2 3 368.238 2.152 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(=O)[O-])s1 ZINC000548027480 673916038 /nfs/dbraw/zinc/91/60/38/673916038.db2.gz ZGCIFJSDQAKLNN-LBPRGKRZSA-N -2 3 354.453 2.070 20 0 FEADHL COCc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(=O)[O-])cc1 ZINC000548527882 673966134 /nfs/dbraw/zinc/96/61/34/673966134.db2.gz JJUAJHBYAOLLDE-UHFFFAOYSA-N -2 3 364.423 2.398 20 0 FEADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c1F ZINC000548543702 673968735 /nfs/dbraw/zinc/96/87/35/673968735.db2.gz QQZVEFRAWRBTHF-UHFFFAOYSA-N -2 3 357.290 2.193 20 0 FEADHL CSCC[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000548574513 673975016 /nfs/dbraw/zinc/97/50/16/673975016.db2.gz RFYKJUPTYGZRLW-NSHDSACASA-N -2 3 361.416 2.365 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1scnc1C(=O)[O-])Cc1ccccc1 ZINC000566912230 675252395 /nfs/dbraw/zinc/25/23/95/675252395.db2.gz BJHZEGHIFCHCMJ-UHFFFAOYSA-N -2 3 354.453 2.389 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-]c1cccc(C)c1-c1nn[n-]n1 ZINC000826221795 675684402 /nfs/dbraw/zinc/68/44/02/675684402.db2.gz VPBWMTVZVFKTJB-UHFFFAOYSA-N -2 3 351.413 2.046 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1C(=O)[O-] ZINC000608004177 675881269 /nfs/dbraw/zinc/88/12/69/675881269.db2.gz BSGXIPMDAUZLTR-UHFFFAOYSA-N -2 3 355.343 2.429 20 0 FEADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000630434819 676900971 /nfs/dbraw/zinc/90/09/71/676900971.db2.gz ADYRJAQBXMRRGM-SCZZXKLOSA-N -2 3 355.309 2.376 20 0 FEADHL CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)on1 ZINC000645970721 677276091 /nfs/dbraw/zinc/27/60/91/677276091.db2.gz WHOQVHSZKYHLRY-UHFFFAOYSA-N -2 3 356.375 2.043 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]C[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000650235811 677362104 /nfs/dbraw/zinc/36/21/04/677362104.db2.gz XHUJOSZOSMMKCJ-HNNXBMFYSA-N -2 3 354.453 2.026 20 0 FEADHL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000656165684 677717217 /nfs/dbraw/zinc/71/72/17/677717217.db2.gz XXJTXHQTWXWRDQ-SSDOTTSWSA-N -2 3 374.615 2.194 20 0 FEADHL CCOC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCCC1 ZINC000840891493 680849874 /nfs/dbraw/zinc/84/98/74/680849874.db2.gz UFLFUSDTTAHCAZ-UHFFFAOYSA-N -2 3 363.382 2.291 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)c1ccccn1 ZINC000840894538 680850417 /nfs/dbraw/zinc/85/04/17/680850417.db2.gz WBTKUCRJMBAGOM-UHFFFAOYSA-N -2 3 370.377 2.314 20 0 FEADHL C[C@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000754862190 680385012 /nfs/dbraw/zinc/38/50/12/680385012.db2.gz JWWYYEWFOSXKEU-SSDOTTSWSA-N -2 3 370.652 2.492 20 0 FEADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000837291463 680582306 /nfs/dbraw/zinc/58/23/06/680582306.db2.gz FROLOIAIQJDMDC-SSDOTTSWSA-N -2 3 361.807 2.044 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)CC1CC1 ZINC000844822717 681085508 /nfs/dbraw/zinc/08/55/08/681085508.db2.gz ZSTWYRWYKHGQRD-MRVPVSSYSA-N -2 3 353.227 2.168 20 0 FEADHL CC(=O)c1ccc(S(=O)(=O)[N-]N=c2c(F)c(F)[n-]c(F)c2F)cc1 ZINC000916102775 685521296 /nfs/dbraw/zinc/52/12/96/685521296.db2.gz NBTPPPZORZZVQF-UHFFFAOYSA-N -2 3 363.292 2.146 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C1CCC1 ZINC000853024689 682365155 /nfs/dbraw/zinc/36/51/55/682365155.db2.gz MRWYWLONNJVBMI-MRVPVSSYSA-N -2 3 353.227 2.168 20 0 FEADHL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000853068513 682370717 /nfs/dbraw/zinc/37/07/17/682370717.db2.gz BSPDLCSIRLKTDU-SECBINFHSA-N -2 3 353.293 2.296 20 0 FEADHL CCOC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(C)C ZINC000788742095 682555004 /nfs/dbraw/zinc/55/50/04/682555004.db2.gz LEJKFIXGFAYGBF-GFCCVEGCSA-N -2 3 351.371 2.002 20 0 FEADHL C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)ccc1F ZINC000795386369 683047494 /nfs/dbraw/zinc/04/74/94/683047494.db2.gz GYTKDLPVIYHVOE-SNVBAGLBSA-N -2 3 369.370 2.143 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H]1C[C@H](C(=O)[O-])[C@H]2C[C@H]21 ZINC000926605742 683153227 /nfs/dbraw/zinc/15/32/27/683153227.db2.gz WKNYVIRUDVIZLO-QNWHQSFQSA-N -2 3 353.371 2.268 20 0 FEADHL C[C@@H]1CC[C@H](C(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000871768876 684853317 /nfs/dbraw/zinc/85/33/17/684853317.db2.gz BSGXRHQBZKRXPB-UTLUCORTSA-N -2 3 366.361 2.268 20 0 FEADHL CC1CC([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1 ZINC000871904538 684878668 /nfs/dbraw/zinc/87/86/68/684878668.db2.gz CSSQWVIWDHVCJG-UHFFFAOYSA-N -2 3 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/nfs/dbraw/zinc/24/61/93/562246193.db2.gz WBVNVXAWKVAIHC-UHFFFAOYSA-N -2 3 365.407 2.385 20 0 FEADHL CCCCOc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c([O-])c1 ZINC000412323304 559027869 /nfs/dbraw/zinc/02/78/69/559027869.db2.gz ISKLMVVBJFLGAU-GFCCVEGCSA-N -2 3 360.414 2.415 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(OC)cc2[O-])CCCCC1 ZINC000427314125 559752989 /nfs/dbraw/zinc/75/29/89/559752989.db2.gz IDGHXTOYXCCPMQ-UHFFFAOYSA-N -2 3 357.428 2.266 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2C ZINC000432640649 559862426 /nfs/dbraw/zinc/86/24/26/559862426.db2.gz GMWLBCIGZFNZIT-UHFFFAOYSA-N -2 3 360.391 2.013 20 0 FEADHL CCc1cc(=O)[n-]c(SCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000436197040 559937261 /nfs/dbraw/zinc/93/72/61/559937261.db2.gz XBPVCBVADJRVHM-UHFFFAOYSA-N -2 3 367.452 2.091 20 0 FEADHL NC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000436480953 559942898 /nfs/dbraw/zinc/94/28/98/559942898.db2.gz YPIMFUZEBGOFHF-UHFFFAOYSA-N -2 3 374.340 2.240 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000436663009 559948258 /nfs/dbraw/zinc/94/82/58/559948258.db2.gz HXAFCRKHTQMHPY-UHFFFAOYSA-N -3 3 371.392 2.048 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)ccc1[O-] ZINC000436698228 559949187 /nfs/dbraw/zinc/94/91/87/559949187.db2.gz PHUKADDMTOZAGJ-UHFFFAOYSA-N -2 3 357.771 2.339 20 0 FEADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000436832257 559953717 /nfs/dbraw/zinc/95/37/17/559953717.db2.gz HNCKRPYOTVQJPA-UHFFFAOYSA-N -3 3 368.349 2.295 20 0 FEADHL O=C(NCC1(NC(=O)c2ccc([O-])cc2F)CC1)c1ccc([O-])cc1F ZINC000446589538 560147985 /nfs/dbraw/zinc/14/79/85/560147985.db2.gz AZFNTVFKFQPNDI-UHFFFAOYSA-N -2 3 362.332 2.068 20 0 FEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccccc1 ZINC000447119148 560156796 /nfs/dbraw/zinc/15/67/96/560156796.db2.gz IUNUWWKTDFAMOO-AWEZNQCLSA-N -2 3 355.799 2.453 20 0 FEADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2CCOc3ccc(F)cc32)c1 ZINC000447401741 560161716 /nfs/dbraw/zinc/16/17/16/560161716.db2.gz BXWBXWVBCYZFLJ-UHFFFAOYSA-N -2 3 367.354 2.126 20 0 FEADHL O=c1[n-]c([C@@H]2CCCCN2Cc2cc(=O)[n-]c(-c3ccccc3)n2)n[nH]1 ZINC000459490999 560689631 /nfs/dbraw/zinc/68/96/31/560689631.db2.gz VQMUWXSCLFMUOF-AWEZNQCLSA-N -2 3 352.398 2.400 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])CCC1 ZINC000461346559 560767579 /nfs/dbraw/zinc/76/75/79/560767579.db2.gz JLKSTLBGMJLMNU-UHFFFAOYSA-N -2 3 355.412 2.087 20 0 FEADHL COC(=O)[C@@H](C)CS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000464843613 560853244 /nfs/dbraw/zinc/85/32/44/560853244.db2.gz WXNFTUBKODXPJK-LURJTMIESA-N -2 3 370.210 2.242 20 0 FEADHL Cc1nc(C)c(CC(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)c(=O)[n-]1 ZINC000467709023 560915484 /nfs/dbraw/zinc/91/54/84/560915484.db2.gz OKRRNYXEPGJLOK-UHFFFAOYSA-N -2 3 359.336 2.649 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000473465484 561050494 /nfs/dbraw/zinc/05/04/94/561050494.db2.gz ROOJCKDHWKEZBG-IBGZPJMESA-N -2 3 367.361 2.000 20 0 FEADHL O=C(c1cc([O-])cc(Br)c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000529269246 562366868 /nfs/dbraw/zinc/36/68/68/562366868.db2.gz AHNKSUWBMIIHDW-UHFFFAOYSA-N -2 3 368.187 2.263 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CCOCC2)sc1Cl ZINC000530488651 562413248 /nfs/dbraw/zinc/41/32/48/562413248.db2.gz XVIGOFDJUKODPJ-JTQLQIEISA-N -2 3 367.876 2.258 20 0 FEADHL C[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)CC(=O)[O-] ZINC000540786948 562593246 /nfs/dbraw/zinc/59/32/46/562593246.db2.gz UAQWVFKLQQBOIO-MRVPVSSYSA-N -2 3 367.199 2.131 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000541807781 562620252 /nfs/dbraw/zinc/62/02/52/562620252.db2.gz RQNZWYBJGWDMOT-NSHDSACASA-N -3 3 365.407 2.465 20 0 FEADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000806639057 674384914 /nfs/dbraw/zinc/38/49/14/674384914.db2.gz NNFOGLWURMQUKG-SECBINFHSA-N -2 3 366.208 2.120 20 0 FEADHL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735505625 598840912 /nfs/dbraw/zinc/84/09/12/598840912.db2.gz UEKNQNPYPWGPLT-UHFFFAOYSA-N -2 3 361.358 2.009 20 0 FEADHL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735505625 598840913 /nfs/dbraw/zinc/84/09/13/598840913.db2.gz UEKNQNPYPWGPLT-UHFFFAOYSA-N -2 3 361.358 2.009 20 0 FEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC000737226659 599030453 /nfs/dbraw/zinc/03/04/53/599030453.db2.gz YCAIDMPNDJKENY-UHFFFAOYSA-N -2 3 362.440 2.310 20 0 FEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nc(C2CC2)cs1 ZINC000737226659 599030455 /nfs/dbraw/zinc/03/04/55/599030455.db2.gz YCAIDMPNDJKENY-UHFFFAOYSA-N -2 3 362.440 2.310 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C1CCC1)C1CCC1 ZINC000556777576 674419388 /nfs/dbraw/zinc/41/93/88/674419388.db2.gz KBTAYYYBMQRRLU-CQSZACIVSA-N -2 3 356.444 2.239 20 0 FEADHL CC(C)n1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000735961115 598451388 /nfs/dbraw/zinc/45/13/88/598451388.db2.gz MTDNIKDBFANBAW-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL CC(C)n1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000735961115 598451390 /nfs/dbraw/zinc/45/13/90/598451390.db2.gz MTDNIKDBFANBAW-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)o1 ZINC000740177674 599768457 /nfs/dbraw/zinc/76/84/57/599768457.db2.gz RKLZGMINWNGOAP-UHFFFAOYSA-N -2 3 354.365 2.173 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)c([O-])c1 ZINC000738515167 599789332 /nfs/dbraw/zinc/78/93/32/599789332.db2.gz QVRBVRKFBUWPAP-LLVKDONJSA-N -2 3 361.350 2.416 20 0 FEADHL CCOCc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000737178065 599815457 /nfs/dbraw/zinc/81/54/57/599815457.db2.gz NIBYXNDOOCIWIZ-UHFFFAOYSA-N -2 3 351.380 2.428 20 0 FEADHL Cc1nc(C)c(CC(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c(=O)[n-]1 ZINC000738844895 600276084 /nfs/dbraw/zinc/27/60/84/600276084.db2.gz PYXPRIUYBZBIGB-UHFFFAOYSA-N -2 3 367.308 2.280 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)Nc2ccc(CNC(=O)[O-])cc2)c([O-])c1 ZINC000738514368 600332282 /nfs/dbraw/zinc/33/22/82/600332282.db2.gz DJKYYTZKWRLRAN-UHFFFAOYSA-N -2 3 371.393 2.227 20 0 FEADHL O=C([O-])Nc1ccc(CCNC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000740019355 600410684 /nfs/dbraw/zinc/41/06/84/600410684.db2.gz FMFWAFUFGZLQEW-UHFFFAOYSA-N -2 3 352.350 2.398 20 0 FEADHL Cc1nc(C)c(CCC(=O)N(c2ncc(C(=O)[O-])s2)C2CC2)c(=O)[n-]1 ZINC000738847909 601042336 /nfs/dbraw/zinc/04/23/36/601042336.db2.gz QTINNGHJWDXXSD-UHFFFAOYSA-N -2 3 362.411 2.082 20 0 FEADHL COc1ccccc1OCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000832632146 601220936 /nfs/dbraw/zinc/22/09/36/601220936.db2.gz BPRLVWKSJWIPLL-UHFFFAOYSA-N -2 3 369.395 2.042 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCOC2CCCC2)c1F ZINC000833293687 601234488 /nfs/dbraw/zinc/23/44/88/601234488.db2.gz CXXIFUCYDKIXSH-UHFFFAOYSA-N -2 3 363.382 2.291 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@](C)(C(=O)[O-])C2CC2)sc1Br ZINC000126253900 601256653 /nfs/dbraw/zinc/25/66/53/601256653.db2.gz YYURLQDZUDRTAT-NSHDSACASA-N -2 3 368.274 2.351 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1ccc(C)o1 ZINC000831660467 601262596 /nfs/dbraw/zinc/26/25/96/601262596.db2.gz IUZUNVXJYYLGOZ-WCLQSUPFSA-N -2 3 365.407 2.352 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)cc1C(=O)[O-] ZINC000833027603 601406115 /nfs/dbraw/zinc/40/61/15/601406115.db2.gz WPPOHJMBCCRKFR-UHFFFAOYSA-N -2 3 367.276 2.321 20 0 FEADHL C[C@H](CS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000827550778 601796935 /nfs/dbraw/zinc/79/69/35/601796935.db2.gz CNEFTRWCTDBHJT-BDAKNGLRSA-N -2 3 373.818 2.091 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)[O-])c(F)cc1F ZINC000547598071 601831279 /nfs/dbraw/zinc/83/12/79/601831279.db2.gz QYRJDZQQKIWXFO-AWEZNQCLSA-N -2 3 355.362 2.247 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cc3n[nH]cc3cc2C)c1-c1nn[n-]n1 ZINC000826272948 607535700 /nfs/dbraw/zinc/53/57/00/607535700.db2.gz IFRFZBPNTMHWAO-UHFFFAOYSA-N -2 3 369.410 2.161 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)c1-c1nnn[n-]1 ZINC000826304103 607536756 /nfs/dbraw/zinc/53/67/56/607536756.db2.gz WHXOKSNHPMWMNS-UHFFFAOYSA-N -2 3 373.442 2.288 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)c1-c1nn[n-]n1 ZINC000826304103 607536758 /nfs/dbraw/zinc/53/67/58/607536758.db2.gz WHXOKSNHPMWMNS-UHFFFAOYSA-N -2 3 373.442 2.288 20 0 FEADHL O=C([O-])N1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000740514187 601988661 /nfs/dbraw/zinc/98/86/61/601988661.db2.gz ZEMZQQVJUFIRPK-QMMMGPOBSA-N -2 3 368.242 2.057 20 0 FEADHL CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])n2)cc1 ZINC000830229362 602172810 /nfs/dbraw/zinc/17/28/10/602172810.db2.gz RDDGQHDCMFHNRD-GHMZBOCLSA-N -2 3 367.427 2.000 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1cccs1 ZINC000558473507 674498207 /nfs/dbraw/zinc/49/82/07/674498207.db2.gz GFPCQBUZNMOKDR-VIFPVBQESA-N -2 3 366.342 2.266 20 0 FEADHL O=C([O-])NC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCCC1 ZINC000740610742 602542166 /nfs/dbraw/zinc/54/21/66/602542166.db2.gz GWTIIDREDYAIOT-MRXNPFEDSA-N -2 3 357.410 2.474 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825503422 603111341 /nfs/dbraw/zinc/11/13/41/603111341.db2.gz TUCUPWVMGMGEKS-IUCAKERBSA-N -2 3 366.361 2.161 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825503421 603111449 /nfs/dbraw/zinc/11/14/49/603111449.db2.gz TUCUPWVMGMGEKS-DTWKUNHWSA-N -2 3 366.361 2.161 20 0 FEADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)c2)n1 ZINC000829893268 603473809 /nfs/dbraw/zinc/47/38/09/603473809.db2.gz FGIAODHJKDJPKQ-OLZOCXBDSA-N -2 3 357.366 2.499 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)NCC(C)(C)NC(=O)[O-])cc2)cc(=O)[n-]1 ZINC000830687819 603606294 /nfs/dbraw/zinc/60/62/94/603606294.db2.gz XLVXSVQPIMTBGG-UHFFFAOYSA-N -2 3 359.386 2.325 20 0 FEADHL CSCC[C@H](NC(=O)[O-])C(=O)Nc1cc(Br)ccc1[O-] ZINC000829731431 604099361 /nfs/dbraw/zinc/09/93/61/604099361.db2.gz QXGDYZHVXZXOSQ-QMMMGPOBSA-N -2 3 363.233 2.483 20 0 FEADHL Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1)c2=O ZINC000830438845 604298109 /nfs/dbraw/zinc/29/81/09/604298109.db2.gz MFKLJWZJCGUNBV-NEPJUHHUSA-N -2 3 358.398 2.152 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830914892 604335157 /nfs/dbraw/zinc/33/51/57/604335157.db2.gz YNCVDLURBYZHTO-VIFPVBQESA-N -2 3 353.400 2.099 20 0 FEADHL O=C([O-])c1csc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000833340900 604707243 /nfs/dbraw/zinc/70/72/43/604707243.db2.gz NKTCSYDVEPPSHU-GFCCVEGCSA-N -2 3 360.391 2.395 20 0 FEADHL O=C([O-])C1(O)CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000833785600 604754230 /nfs/dbraw/zinc/75/42/30/604754230.db2.gz HUXNSDLLTQLMIK-UHFFFAOYSA-N -2 3 369.417 2.229 20 0 FEADHL O=C([O-])NC[C@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000832555743 605190997 /nfs/dbraw/zinc/19/09/97/605190997.db2.gz CBDDTPNQQGBROB-SNVBAGLBSA-N -2 3 372.219 2.096 20 0 FEADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1)C(F)(F)F ZINC000645995718 605298445 /nfs/dbraw/zinc/29/84/45/605298445.db2.gz LRQFDOAFRDBJAU-JTQLQIEISA-N -2 3 354.350 2.425 20 0 FEADHL CCCN(C(=O)c1cc2c(cc1[O-])OCO2)C1CCN(C(=O)[O-])CC1 ZINC000833853589 605656655 /nfs/dbraw/zinc/65/66/55/605656655.db2.gz LJHPKFFZXUXOBD-UHFFFAOYSA-N -2 3 350.371 2.116 20 0 FEADHL O=C([O-])Nc1ccccc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000833290370 605708211 /nfs/dbraw/zinc/70/82/11/605708211.db2.gz TXSGXUUDJUFZCF-UHFFFAOYSA-N -2 3 369.377 2.080 20 0 FEADHL CC(C)(C)[C@H](NC(=O)[O-])C(=O)NCc1ccc([O-])c(Br)c1 ZINC000823845593 605880057 /nfs/dbraw/zinc/88/00/57/605880057.db2.gz ACEHCSUTMGWCDM-LLVKDONJSA-N -2 3 359.220 2.453 20 0 FEADHL O=C([O-])Nc1cnc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)cn1 ZINC000834278476 606025692 /nfs/dbraw/zinc/02/56/92/606025692.db2.gz KYDHRCGYENPGED-UHFFFAOYSA-N -2 3 360.330 2.476 20 0 FEADHL O=C([O-])Nc1cnc(C(=O)[N-]c2nnc(C=Cc3ccco3)s2)cn1 ZINC000834279829 606039608 /nfs/dbraw/zinc/03/96/08/606039608.db2.gz ZEEHMVLGPBJLBT-ARJAWSKDSA-N -2 3 358.339 2.434 20 0 FEADHL O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1c(F)cc([O-])cc1F ZINC000823409973 606130445 /nfs/dbraw/zinc/13/04/45/606130445.db2.gz OWDJLQIRDFFDBK-UHFFFAOYSA-N -2 3 362.292 2.086 20 0 FEADHL O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1c(F)cc([O-])cc1F ZINC000823409973 606130446 /nfs/dbraw/zinc/13/04/46/606130446.db2.gz OWDJLQIRDFFDBK-UHFFFAOYSA-N -2 3 362.292 2.086 20 0 FEADHL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821043875 606612476 /nfs/dbraw/zinc/61/24/76/606612476.db2.gz UWBAJANNNVQNCT-UHFFFAOYSA-N -2 3 365.459 2.278 20 0 FEADHL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821043875 606612477 /nfs/dbraw/zinc/61/24/77/606612477.db2.gz UWBAJANNNVQNCT-UHFFFAOYSA-N -2 3 365.459 2.278 20 0 FEADHL Cc1ccsc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1-c1nn[n-]n1 ZINC000822379556 606820907 /nfs/dbraw/zinc/82/09/07/606820907.db2.gz PHYYGYVHLCFZRI-UHFFFAOYSA-N -2 3 364.456 2.103 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1F ZINC000822258842 606864736 /nfs/dbraw/zinc/86/47/36/606864736.db2.gz DYXZKFXHARXCIK-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1F ZINC000822258842 606864737 /nfs/dbraw/zinc/86/47/37/606864737.db2.gz DYXZKFXHARXCIK-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822259467 606864816 /nfs/dbraw/zinc/86/48/16/606864816.db2.gz XTEZIYWMOIVKBD-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822259467 606864818 /nfs/dbraw/zinc/86/48/18/606864818.db2.gz XTEZIYWMOIVKBD-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCCCC1 ZINC000824783982 609352933 /nfs/dbraw/zinc/35/29/33/609352933.db2.gz LTCRGXWMNRMLAT-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCCCC1 ZINC000824783982 609352935 /nfs/dbraw/zinc/35/29/35/609352935.db2.gz LTCRGXWMNRMLAT-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826210505 609523982 /nfs/dbraw/zinc/52/39/82/609523982.db2.gz UJHHVIQJVKVCHK-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL CN(C)c1cccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000562852196 674816234 /nfs/dbraw/zinc/81/62/34/674816234.db2.gz LAHRMCFTWSDWIJ-UHFFFAOYSA-N -2 3 364.423 2.407 20 0 FEADHL CCOCCC1(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CCCC1 ZINC000564919703 675077138 /nfs/dbraw/zinc/07/71/38/675077138.db2.gz WFSFZEQUCAPJLS-UHFFFAOYSA-N -2 3 362.473 2.107 20 0 FEADHL CC(C)[C@H]([N-]S(=O)(=O)CCCCCC(=O)[O-])c1nc(C2CC2)no1 ZINC000570959393 670793710 /nfs/dbraw/zinc/79/37/10/670793710.db2.gz FBBQYBDDIVXIDX-ZDUSSCGKSA-N -2 3 359.448 2.209 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C1(c2ccc(F)cc2F)CCC1 ZINC000573243882 671099069 /nfs/dbraw/zinc/09/90/69/671099069.db2.gz GDMZSPNRNUECFK-UHFFFAOYSA-N -2 3 374.390 2.477 20 0 FEADHL O=C([O-])[C@H](CF)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000573243958 671099096 /nfs/dbraw/zinc/09/90/96/671099096.db2.gz JPFLRQCHPYVJJR-NSHDSACASA-N -2 3 365.810 2.220 20 0 FEADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000576404425 671366408 /nfs/dbraw/zinc/36/64/08/671366408.db2.gz KSPGIVSMUHZXKC-MRVPVSSYSA-N -2 3 354.350 2.268 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000579349945 671729584 /nfs/dbraw/zinc/72/95/84/671729584.db2.gz TXUHYHITYOGATD-DGCLKSJQSA-N -2 3 368.436 2.040 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)[C@H](C)C(=O)[O-] ZINC000584157140 672161039 /nfs/dbraw/zinc/16/10/39/672161039.db2.gz PDAZICODUYNVKK-NKWVEPMBSA-N -2 3 359.297 2.112 20 0 FEADHL O=C([O-])/C=C\C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000310625409 673025188 /nfs/dbraw/zinc/02/51/88/673025188.db2.gz JTWMAJPGPLVPQQ-DJWKRKHSSA-N -2 3 354.609 2.022 20 0 FEADHL O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000323324796 673043212 /nfs/dbraw/zinc/04/32/12/673043212.db2.gz UOIFPTOSQDVPSL-LBPRGKRZSA-N -2 3 354.815 2.099 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc([S@](C)=O)cc2)oc1C(=O)[O-] ZINC000596090579 673357569 /nfs/dbraw/zinc/35/75/69/673357569.db2.gz ODPKMNWSQTUUHQ-WYVULQQZSA-N -2 3 371.436 2.063 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)cc1CC(=O)[O-] ZINC000538087022 673421539 /nfs/dbraw/zinc/42/15/39/673421539.db2.gz ARZBVTQQTGPPJI-UHFFFAOYSA-N -2 3 351.380 2.137 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])cc2OC)c1 ZINC000540497472 673543314 /nfs/dbraw/zinc/54/33/14/673543314.db2.gz UESXZACFNOJZTE-UHFFFAOYSA-N -3 3 371.342 2.048 20 0 FEADHL CCOc1cc(C(=O)NC2(c3nnn[n-]3)CCCC2)cc(Cl)c1[O-] ZINC000547269146 673838384 /nfs/dbraw/zinc/83/83/84/673838384.db2.gz AUIORABDBWOAED-UHFFFAOYSA-N -2 3 351.794 2.157 20 0 FEADHL CCOc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc(Cl)c1[O-] ZINC000547269146 673838388 /nfs/dbraw/zinc/83/83/88/673838388.db2.gz AUIORABDBWOAED-UHFFFAOYSA-N -2 3 351.794 2.157 20 0 FEADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547548650 673861521 /nfs/dbraw/zinc/86/15/21/673861521.db2.gz NZZRBARWTSIINB-RNCFNFMXSA-N -2 3 373.814 2.163 20 0 FEADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000547577793 673867225 /nfs/dbraw/zinc/86/72/25/673867225.db2.gz OSYRIAWJPVCUKY-LBPRGKRZSA-N -2 3 368.224 2.367 20 0 FEADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000547577792 673867312 /nfs/dbraw/zinc/86/73/12/673867312.db2.gz OSYRIAWJPVCUKY-GFCCVEGCSA-N -2 3 368.224 2.367 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000547618102 673875833 /nfs/dbraw/zinc/87/58/33/673875833.db2.gz VEULKLXGYLBPCU-HZMBPMFUSA-N -2 3 354.453 2.446 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2cc(C)cc(C)c2)C(=O)[O-])s1 ZINC000547872393 673895334 /nfs/dbraw/zinc/89/53/34/673895334.db2.gz AQRLUYAMWFRKEI-ZDUSSCGKSA-N -2 3 354.453 2.043 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)oc1C ZINC000547919705 673904873 /nfs/dbraw/zinc/90/48/73/673904873.db2.gz GCUOLBIUNHVWNO-UHFFFAOYSA-N -2 3 373.427 2.078 20 0 FEADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548212508 673935406 /nfs/dbraw/zinc/93/54/06/673935406.db2.gz NKXPCWJSQQBCPM-FZMZJTMJSA-N -2 3 351.346 2.416 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)CC(=O)[O-] ZINC000548259884 673943931 /nfs/dbraw/zinc/94/39/31/673943931.db2.gz FMLYJJSELZQNMW-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000567104286 675266948 /nfs/dbraw/zinc/26/69/48/675266948.db2.gz JZANQCUEXRTRGA-HZMBPMFUSA-N -2 3 371.386 2.038 20 0 FEADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)COCc1ccccc1 ZINC000568981668 675414962 /nfs/dbraw/zinc/41/49/62/675414962.db2.gz ZRKNZUMDFVUNDO-LBPRGKRZSA-N -2 3 353.396 2.109 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)COCc1ccccc1 ZINC000568981665 675414986 /nfs/dbraw/zinc/41/49/86/675414986.db2.gz ZRKNZUMDFVUNDO-GFCCVEGCSA-N -2 3 353.396 2.109 20 0 FEADHL CCOC(=O)c1ncc(NC(=O)c2ccc(Br)c([O-])c2)[n-]1 ZINC000619446579 676376674 /nfs/dbraw/zinc/37/66/74/676376674.db2.gz OXXVKPPTBXEPDP-UHFFFAOYSA-N -2 3 354.160 2.307 20 0 FEADHL Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@H](C)C2 ZINC000645994101 677276582 /nfs/dbraw/zinc/27/65/82/677276582.db2.gz XSWHPUOGPXFLTC-RNCFNFMXSA-N -2 3 352.437 2.362 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C2([C@H](C)C(=O)[O-])CC2)sc1Br ZINC000650426611 677373201 /nfs/dbraw/zinc/37/32/01/677373201.db2.gz ONFJDZAUVDFQSU-SSDOTTSWSA-N -2 3 368.274 2.351 20 0 FEADHL CC[C@@H](COC)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761244129 680716690 /nfs/dbraw/zinc/71/66/90/680716690.db2.gz IOZMAPIORMCIOC-QMMMGPOBSA-N -2 3 356.227 2.395 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)cs1 ZINC000656181794 677725406 /nfs/dbraw/zinc/72/54/06/677725406.db2.gz WINZJZANZKRDQD-XVKPBYJWSA-N -2 3 373.374 2.225 20 0 FEADHL CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@H](C)C(=O)[O-] ZINC000663123655 678694288 /nfs/dbraw/zinc/69/42/88/678694288.db2.gz DZNZCPIICZTKOY-MRVPVSSYSA-N -2 3 367.199 2.226 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCc2csc(C(C)C)n2)oc1C(=O)[O-] ZINC000663422811 678735234 /nfs/dbraw/zinc/73/52/34/678735234.db2.gz NCXMHJCZQRGICY-UHFFFAOYSA-N -2 3 358.441 2.387 20 0 FEADHL CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)COC1 ZINC000840894751 680850560 /nfs/dbraw/zinc/85/05/60/680850560.db2.gz VDFGEHBKAKUHGL-UHFFFAOYSA-N -2 3 368.238 2.397 20 0 FEADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)c1 ZINC000673885351 679452675 /nfs/dbraw/zinc/45/26/75/679452675.db2.gz WBHKFZDEIMXEIT-UHFFFAOYSA-N -2 3 372.472 2.014 20 0 FEADHL CO[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000831519671 679997801 /nfs/dbraw/zinc/99/78/01/679997801.db2.gz PLJVQJFNFSTTHZ-GFCCVEGCSA-N -2 3 359.787 2.297 20 0 FEADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000837289184 680581465 /nfs/dbraw/zinc/58/14/65/680581465.db2.gz WAAJBXMUIMBYBY-MRVPVSSYSA-N -2 3 361.807 2.188 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Br)nc2)c1 ZINC000775676793 681323730 /nfs/dbraw/zinc/32/37/30/681323730.db2.gz KPDDRPYRYSITCE-UHFFFAOYSA-N -2 3 359.201 2.359 20 0 FEADHL O=C([N-]CCCOC(=O)c1ccc(Br)c([O-])c1)C(F)(F)F ZINC000778826621 681653479 /nfs/dbraw/zinc/65/34/79/681653479.db2.gz DASOQKLFNLBTQR-UHFFFAOYSA-N -2 3 370.121 2.380 20 0 FEADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000793400967 682886530 /nfs/dbraw/zinc/88/65/30/682886530.db2.gz NMINRBCHWWJULI-UHFFFAOYSA-N -3 3 369.326 2.037 20 0 FEADHL O=C([N-]OCCCC(F)(F)F)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000871214987 684797432 /nfs/dbraw/zinc/79/74/32/684797432.db2.gz WSOKSSZNEBWOHY-LBPRGKRZSA-N -2 3 360.332 2.387 20 0 FEADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@H]1SCCc2ccccc21 ZINC000871994235 684907373 /nfs/dbraw/zinc/90/73/73/684907373.db2.gz SMIWEVBZSWKZMB-CYBMUJFWSA-N -2 3 353.421 2.287 20 0 FEADHL CCOCc1nc(C)cc(=N[N-]S(=O)(=O)c2sccc2Cl)[n-]1 ZINC000901735352 690685610 /nfs/dbraw/zinc/68/56/10/690685610.db2.gz ZMRGCDYTCDVDPF-UHFFFAOYSA-N -2 3 362.864 2.342 20 0 FEADHL O=C([O-])[C@@H]1CC=C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000906000985 691210432 /nfs/dbraw/zinc/21/04/32/691210432.db2.gz UZCVGDDJVVCGKD-HTQZYQBOSA-N -2 3 351.211 2.086 20 0 FEADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000230099248 548757947 /nfs/dbraw/zinc/75/79/47/548757947.db2.gz DDVHFJVPSKRQCI-VIFPVBQESA-N -2 3 368.224 2.223 20 0 FEADHL COCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1 ZINC000026527714 539788917 /nfs/dbraw/zinc/78/89/17/539788917.db2.gz TYFUNKRXQDPZOA-UHFFFAOYSA-N -2 3 351.380 2.211 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Br)s2)CCCC1 ZINC000037373389 539996097 /nfs/dbraw/zinc/99/60/97/539996097.db2.gz LHBBNDJZPFLBCE-UHFFFAOYSA-N -2 3 354.247 2.186 20 0 FEADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000070311672 541733464 /nfs/dbraw/zinc/73/34/64/541733464.db2.gz CSJGBXAFJPFQDP-SSDOTTSWSA-N -2 3 354.197 2.120 20 0 FEADHL C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077383466 542375294 /nfs/dbraw/zinc/37/52/94/542375294.db2.gz PFZMTXPXAHYSHD-ZWNOBZJWSA-N -2 3 364.464 2.054 20 0 FEADHL O=C([N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1)c1ccoc1 ZINC000079248701 542507888 /nfs/dbraw/zinc/50/78/88/542507888.db2.gz DSOLFBVOAIRYLN-UHFFFAOYSA-N -2 3 350.381 2.184 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1Cl ZINC000152776928 544695067 /nfs/dbraw/zinc/69/50/67/544695067.db2.gz HDHAFXWDWLQMDX-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1Cl ZINC000152776928 544695070 /nfs/dbraw/zinc/69/50/70/544695070.db2.gz HDHAFXWDWLQMDX-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=C(Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc([O-])cc1F ZINC000181995476 327756051 /nfs/dbraw/zinc/75/60/51/327756051.db2.gz RSUJLERHQUDARO-UHFFFAOYSA-N -2 3 368.361 2.363 20 0 FEADHL O=C(NCCNC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc([O-])cc1 ZINC000184509888 327870853 /nfs/dbraw/zinc/87/08/53/327870853.db2.gz PSCNXUVMYNQLMW-UHFFFAOYSA-N -2 3 352.749 2.050 20 0 FEADHL C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)o1 ZINC000186279714 327955102 /nfs/dbraw/zinc/95/51/02/327955102.db2.gz AEJNWLAIELDIPV-JTQLQIEISA-N -2 3 350.396 2.047 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000192756489 328337691 /nfs/dbraw/zinc/33/76/91/328337691.db2.gz CPRKSZVVQZGIHG-UHFFFAOYSA-N -2 3 358.416 2.306 20 0 FEADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000087491692 325283108 /nfs/dbraw/zinc/28/31/08/325283108.db2.gz NNDMEEWCOLZKSM-ZETCQYMHSA-N -2 3 356.263 2.146 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccsc2)cc1F ZINC000124644752 326457567 /nfs/dbraw/zinc/45/75/67/326457567.db2.gz DEUBAOSPKPXPBO-UHFFFAOYSA-N -2 3 364.445 2.450 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)CC(=O)[O-] ZINC000147343911 326665644 /nfs/dbraw/zinc/66/56/44/326665644.db2.gz WFXPTYLPMBTFNR-SSDOTTSWSA-N -2 3 356.263 2.290 20 0 FEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000153712886 326740669 /nfs/dbraw/zinc/74/06/69/326740669.db2.gz WCWPTIXXCPTSGC-UHFFFAOYSA-N -2 3 372.443 2.066 20 0 FEADHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000163006570 327040332 /nfs/dbraw/zinc/04/03/32/327040332.db2.gz HCIRMGYHTZCVEU-UHFFFAOYSA-N -2 3 374.382 2.193 20 0 FEADHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000163006570 327040333 /nfs/dbraw/zinc/04/03/33/327040333.db2.gz HCIRMGYHTZCVEU-UHFFFAOYSA-N -2 3 374.382 2.193 20 0 FEADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000275038297 330004098 /nfs/dbraw/zinc/00/40/98/330004098.db2.gz VBCOMOQZYFLTOS-SECBINFHSA-N -2 3 363.819 2.048 20 0 FEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c1ccccc1 ZINC000275358418 330039152 /nfs/dbraw/zinc/03/91/52/330039152.db2.gz XESZFLARNXZQOV-LBPRGKRZSA-N -2 3 371.846 2.266 20 0 FEADHL Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000555530290 450593927 /nfs/dbraw/zinc/59/39/27/450593927.db2.gz XOPMCDKHILQJPD-UHFFFAOYSA-N -2 3 365.802 2.037 20 0 FEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000479198563 561184184 /nfs/dbraw/zinc/18/41/84/561184184.db2.gz YFMOBLOFZOJIPC-UHFFFAOYSA-N -2 3 360.313 2.277 20 0 FEADHL O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCc2nc[n-]c(=O)c2C1 ZINC000179118955 546901679 /nfs/dbraw/zinc/90/16/79/546901679.db2.gz SNHVYZPMUPTFRZ-UHFFFAOYSA-N -2 3 355.781 2.481 20 0 FEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-n3ccnn3)c2)cc1C(=O)[O-] ZINC000486512357 561349516 /nfs/dbraw/zinc/34/95/16/561349516.db2.gz YUAKTOKHRASYBG-UHFFFAOYSA-N -2 3 372.406 2.383 20 0 FEADHL CCN(CC)S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000488319647 561387885 /nfs/dbraw/zinc/38/78/85/561387885.db2.gz NBFZUBTXVQKCCA-UHFFFAOYSA-N -2 3 356.322 2.282 20 0 FEADHL CCCN(C)S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000488302727 561387676 /nfs/dbraw/zinc/38/76/76/561387676.db2.gz VNFJNMUKPHAPJG-UHFFFAOYSA-N -2 3 356.322 2.282 20 0 FEADHL CCC[C@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(=O)[O-] ZINC000262694264 549839538 /nfs/dbraw/zinc/83/95/38/549839538.db2.gz WWZLYZNIYGWZFV-JTQLQIEISA-N -2 3 371.436 2.220 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c(C)o1 ZINC000262717459 549842889 /nfs/dbraw/zinc/84/28/89/549842889.db2.gz DBLCWUMSKSMBPR-UHFFFAOYSA-N -2 3 366.395 2.063 20 0 FEADHL C[C@]1(C(=O)[O-])CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000263220549 549886999 /nfs/dbraw/zinc/88/69/99/549886999.db2.gz KMXDKWVEJIOOLS-AWEZNQCLSA-N -2 3 357.204 2.161 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-])s1 ZINC000274958951 550567559 /nfs/dbraw/zinc/56/75/59/550567559.db2.gz HJQVZFKDKSGJPQ-ZCFIWIBFSA-N -2 3 356.263 2.208 20 0 FEADHL Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)n1 ZINC000283810489 551431103 /nfs/dbraw/zinc/43/11/03/551431103.db2.gz BMMCYKDPUYFMHT-UHFFFAOYSA-N -2 3 373.818 2.252 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-])sc1Cl ZINC000285115971 551707003 /nfs/dbraw/zinc/70/70/03/551707003.db2.gz MXWFLHSDVCRIOM-QMMMGPOBSA-N -2 3 355.865 2.257 20 0 FEADHL Cc1nc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000287485814 552010320 /nfs/dbraw/zinc/01/03/20/552010320.db2.gz KKCIUUOYLDBARN-QMMMGPOBSA-N -2 3 374.768 2.365 20 0 FEADHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000287598587 552023826 /nfs/dbraw/zinc/02/38/26/552023826.db2.gz QZBKHELGGCCRMR-SFYZADRCSA-N -2 3 369.292 2.032 20 0 FEADHL CO[C@](C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)C1CC1 ZINC000292632428 552744705 /nfs/dbraw/zinc/74/47/05/552744705.db2.gz OFDPTFGUCIBQBO-CQSZACIVSA-N -2 3 365.810 2.271 20 0 FEADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000296866950 553222585 /nfs/dbraw/zinc/22/25/85/553222585.db2.gz DQJBVZAOIMNRLI-SNVBAGLBSA-N -2 3 363.819 2.048 20 0 FEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1CCC(=O)[O-] ZINC000297189130 553261493 /nfs/dbraw/zinc/26/14/93/553261493.db2.gz LTOKBKLQTGBKNB-WDEREUQCSA-N -2 3 363.867 2.084 20 0 FEADHL Cc1nc(C=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000504720050 561661604 /nfs/dbraw/zinc/66/16/04/561661604.db2.gz GVFKCWFTRPKTMH-UIJKISKDSA-N -3 3 358.350 2.140 20 0 FEADHL COCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OC ZINC000504721337 561661608 /nfs/dbraw/zinc/66/16/08/561661608.db2.gz OSBLXXWILXKNDG-ALCCZGGFSA-N -2 3 374.393 2.322 20 0 FEADHL COC(=O)[C@@H](C)Oc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1 ZINC000504728614 561661737 /nfs/dbraw/zinc/66/17/37/561661737.db2.gz FJYWZGXXVLVMSF-UVMWJGKXSA-N -2 3 372.377 2.228 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccs1 ZINC000317097346 553761656 /nfs/dbraw/zinc/76/16/56/553761656.db2.gz BFQDPSDCPPJNGD-NSHDSACASA-N -2 3 351.327 2.270 20 0 FEADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000323784759 553770011 /nfs/dbraw/zinc/77/00/11/553770011.db2.gz DNAVVBLEMMSVCU-PELKAZGASA-N -2 3 367.826 2.414 20 0 FEADHL COc1ccc([C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C2CC2)cc1 ZINC000326121564 553779095 /nfs/dbraw/zinc/77/90/95/553779095.db2.gz GAAYHDQQICLINW-LBPRGKRZSA-N -2 3 368.436 2.280 20 0 FEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc(-c4cnco4)c3)ccc21 ZINC000363494080 555120123 /nfs/dbraw/zinc/12/01/23/555120123.db2.gz YKZFBGCCTNWQRU-UHFFFAOYSA-N -2 3 369.358 2.026 20 0 FEADHL Cc1cccnc1C1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000368267994 556263870 /nfs/dbraw/zinc/26/38/70/556263870.db2.gz XDBADMZXMGRNFT-UHFFFAOYSA-N -2 3 352.437 2.160 20 0 FEADHL Cc1ccc([O-])c(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000370551685 556906669 /nfs/dbraw/zinc/90/66/69/556906669.db2.gz JXKGMCBAPHULSC-UHFFFAOYSA-N -2 3 351.366 2.143 20 0 FEADHL Cn1cc(C(=O)[O-])c(-c2ccc([N-]S(=O)(=O)c3ccc(N)cc3)cc2)n1 ZINC000372314768 557437698 /nfs/dbraw/zinc/43/76/98/557437698.db2.gz GZAFUXREADZURI-UHFFFAOYSA-N -2 3 372.406 2.168 20 0 FEADHL CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000519544299 562134333 /nfs/dbraw/zinc/13/43/33/562134333.db2.gz LCBTXJMOPZBOQG-UHFFFAOYSA-N -2 3 370.452 2.150 20 0 FEADHL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000375606263 558055957 /nfs/dbraw/zinc/05/59/57/558055957.db2.gz HMDAKWGJITVLFH-UHFFFAOYSA-N -2 3 372.406 2.221 20 0 FEADHL COC(=O)c1sccc1S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-] ZINC000390362504 558611200 /nfs/dbraw/zinc/61/12/00/558611200.db2.gz ONKGPKUVNDITKD-UHFFFAOYSA-N -2 3 363.457 2.094 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1)C(F)F ZINC000414336516 559157083 /nfs/dbraw/zinc/15/70/83/559157083.db2.gz ZLXWZERTDRBJQT-VIFPVBQESA-N -2 3 357.762 2.125 20 0 FEADHL CCCc1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)o1 ZINC000414347065 559157736 /nfs/dbraw/zinc/15/77/36/559157736.db2.gz VLBUKEYUKKCZGZ-UHFFFAOYSA-N -2 3 356.375 2.251 20 0 FEADHL C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000416506181 559318442 /nfs/dbraw/zinc/31/84/42/559318442.db2.gz HJQDWBQTXACIDG-SNVBAGLBSA-N -2 3 366.480 2.300 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccn(CCC(F)(F)F)n2)c1 ZINC000424088188 559654401 /nfs/dbraw/zinc/65/44/01/559654401.db2.gz STTIGNXVHFRSCI-UHFFFAOYSA-N -2 3 365.333 2.351 20 0 FEADHL COc1cc([N-]S(=O)(=O)CCOc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000432757353 559864123 /nfs/dbraw/zinc/86/41/23/559864123.db2.gz AQJTWKHRVXOVHD-UHFFFAOYSA-N -2 3 369.370 2.353 20 0 FEADHL CCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000433520552 559883587 /nfs/dbraw/zinc/88/35/87/559883587.db2.gz ZBMWERVILPPCEZ-UHFFFAOYSA-N -3 3 351.380 2.428 20 0 FEADHL Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000436909106 559955927 /nfs/dbraw/zinc/95/59/27/559955927.db2.gz XTLFCWARUAXALG-UHFFFAOYSA-N -3 3 364.720 2.495 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2[nH]c(=O)n(C)c2c1 ZINC000442239648 560046540 /nfs/dbraw/zinc/04/65/40/560046540.db2.gz UPYUFQGGWNJENE-UHFFFAOYSA-N -2 3 361.379 2.086 20 0 FEADHL CCn1cc(S(=O)(=O)[N-]c2cc([O-])cc(Br)c2)nc1C ZINC000451102531 560287359 /nfs/dbraw/zinc/28/73/59/560287359.db2.gz CWQLSEYJKVXUNO-UHFFFAOYSA-N -2 3 360.233 2.480 20 0 FEADHL O=S(=O)([N-]c1cc([O-])cc(Br)c1)c1cn2c(n1)CCCC2 ZINC000451104666 560287434 /nfs/dbraw/zinc/28/74/34/560287434.db2.gz LDZIRNIAALQIDR-UHFFFAOYSA-N -2 3 372.244 2.488 20 0 FEADHL COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc2c1OCCO2 ZINC000470235664 560977267 /nfs/dbraw/zinc/97/72/67/560977267.db2.gz BJQWMYVEORCBLU-ARJAWSKDSA-N -2 3 358.350 2.068 20 0 FEADHL Cc1nc(C=Cc2cccc(OCCC(=O)[O-])c2)[n-]c(=O)c1CC(=O)[O-] ZINC000470267662 560977650 /nfs/dbraw/zinc/97/76/50/560977650.db2.gz RZJIFVOQKKDVPM-AATRIKPKSA-N -3 3 358.350 2.142 20 0 FEADHL O=C([O-])c1c(Br)cccc1[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000530144498 562399887 /nfs/dbraw/zinc/39/98/87/562399887.db2.gz FUSSLGOZCIXLEI-MRVPVSSYSA-N -2 3 364.217 2.068 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1 ZINC000530154271 562400342 /nfs/dbraw/zinc/40/03/42/562400342.db2.gz SFBKUTVZESEGDY-DDTOSNHZSA-N -2 3 353.783 2.248 20 0 FEADHL C[C@]1(c2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc2)NC(=O)[N-]C1=O ZINC000531189818 562437681 /nfs/dbraw/zinc/43/76/81/562437681.db2.gz BKSKTEHMROEVHR-QGZVFWFLSA-N -2 3 359.769 2.353 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCO)c(C)c1 ZINC000541125899 562603772 /nfs/dbraw/zinc/60/37/72/562603772.db2.gz NHTABVPBNKLASZ-UHFFFAOYSA-N -2 3 365.407 2.174 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCO)c(C)c2)cc1C(=O)[O-] ZINC000541126044 562603785 /nfs/dbraw/zinc/60/37/85/562603785.db2.gz WJJGURPYTXQGKY-UHFFFAOYSA-N -2 3 365.407 2.174 20 0 FEADHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000737077540 598946550 /nfs/dbraw/zinc/94/65/50/598946550.db2.gz QRCGRLUPTGAOPT-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737077540 598946552 /nfs/dbraw/zinc/94/65/52/598946552.db2.gz QRCGRLUPTGAOPT-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL CSc1ccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cn1 ZINC000737189419 598968658 /nfs/dbraw/zinc/96/86/58/598968658.db2.gz GMWRRFAANKSHBB-UHFFFAOYSA-N -2 3 362.440 2.093 20 0 FEADHL CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000819959048 599231811 /nfs/dbraw/zinc/23/18/11/599231811.db2.gz WHTSNEPLHIFHIA-UHFFFAOYSA-N -2 3 358.427 2.360 20 0 FEADHL O=S(=O)([N-]c1ccnn1C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738339674 598438630 /nfs/dbraw/zinc/43/86/30/598438630.db2.gz PDSFLFFETPJXMW-UHFFFAOYSA-N -2 3 373.442 2.369 20 0 FEADHL O=S(=O)([N-]c1ccnn1C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738339674 598438631 /nfs/dbraw/zinc/43/86/31/598438631.db2.gz PDSFLFFETPJXMW-UHFFFAOYSA-N -2 3 373.442 2.369 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000736691092 598593482 /nfs/dbraw/zinc/59/34/82/598593482.db2.gz NVQUWNUDQLNCHE-UHFFFAOYSA-N -2 3 353.404 2.431 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000736691092 598593483 /nfs/dbraw/zinc/59/34/83/598593483.db2.gz NVQUWNUDQLNCHE-UHFFFAOYSA-N -2 3 353.404 2.431 20 0 FEADHL CCCS(=O)(=O)[N-]C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736497491 599617593 /nfs/dbraw/zinc/61/75/93/599617593.db2.gz IREZDLJMJQUURL-UHFFFAOYSA-N -2 3 371.422 2.003 20 0 FEADHL CCCS(=O)(=O)[N-]C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736497491 599617596 /nfs/dbraw/zinc/61/75/96/599617596.db2.gz IREZDLJMJQUURL-UHFFFAOYSA-N -2 3 371.422 2.003 20 0 FEADHL CN1CCc2c(cccc2[N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])C1 ZINC000737529048 600097806 /nfs/dbraw/zinc/09/78/06/600097806.db2.gz HVXLJHRBZZPRJE-UHFFFAOYSA-N -2 3 364.398 2.313 20 0 FEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1 ZINC000739825723 600247079 /nfs/dbraw/zinc/24/70/79/600247079.db2.gz GCRXMVRJYSQVNM-UHFFFAOYSA-N -2 3 373.390 2.137 20 0 FEADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC000739739780 600383637 /nfs/dbraw/zinc/38/36/37/600383637.db2.gz PGDHHFYQVCKQCN-UHFFFAOYSA-N -3 3 365.363 2.039 20 0 FEADHL COc1cc(NC(=O)c2nnc3ccccc3c2[O-])c(C(=O)[O-])cc1OC ZINC000737896975 600483803 /nfs/dbraw/zinc/48/38/03/600483803.db2.gz ZURISXWPXAPLLS-UHFFFAOYSA-N -2 3 369.333 2.303 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832699299 600893628 /nfs/dbraw/zinc/89/36/28/600893628.db2.gz DHZUYTIKLAJMAS-CQSZACIVSA-N -2 3 367.354 2.180 20 0 FEADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C2CC2)s1 ZINC000574036662 601223083 /nfs/dbraw/zinc/22/30/83/601223083.db2.gz ZLCCKSSWZWVYTM-GFCCVEGCSA-N -2 3 356.425 2.481 20 0 FEADHL CN(CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000327299702 601229010 /nfs/dbraw/zinc/22/90/10/601229010.db2.gz PXBSPFYYXINECC-UHFFFAOYSA-N -2 3 370.377 2.078 20 0 FEADHL CC(C)([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1nccs1 ZINC000323037414 601236950 /nfs/dbraw/zinc/23/69/50/601236950.db2.gz FPXFSZGUTFCGAJ-UHFFFAOYSA-N -2 3 362.379 2.333 20 0 FEADHL COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC000747594803 601317195 /nfs/dbraw/zinc/31/71/95/601317195.db2.gz ALABDRYWFKCJRU-WCIBSUBMSA-N -2 3 361.375 2.372 20 0 FEADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CSCN3C(=O)[O-])c2)n1 ZINC000739536917 601859508 /nfs/dbraw/zinc/85/95/08/601859508.db2.gz WLICHQYUMBOYHS-CYBMUJFWSA-N -2 3 374.422 2.403 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826303743 607532484 /nfs/dbraw/zinc/53/24/84/607532484.db2.gz CKNRYQYUHZZOOL-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826303743 607532486 /nfs/dbraw/zinc/53/24/86/607532486.db2.gz CKNRYQYUHZZOOL-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL O=C([O-])N1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000740512585 601991576 /nfs/dbraw/zinc/99/15/76/601991576.db2.gz NYDFMUVCWYHLTH-SECBINFHSA-N -2 3 350.799 2.147 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)c1-c1nnn[n-]1 ZINC000826271258 607538327 /nfs/dbraw/zinc/53/83/27/607538327.db2.gz KAKSVJMEEOAFRC-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)c1-c1nn[n-]n1 ZINC000826271258 607538328 /nfs/dbraw/zinc/53/83/28/607538328.db2.gz KAKSVJMEEOAFRC-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000827077229 602005223 /nfs/dbraw/zinc/00/52/23/602005223.db2.gz UQGMMHSNQDEYHH-CQSZACIVSA-N -2 3 371.455 2.171 20 0 FEADHL C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000071207905 602153733 /nfs/dbraw/zinc/15/37/33/602153733.db2.gz MSKRWEYONHBJKB-BQBZGAKWSA-N -2 3 352.206 2.207 20 0 FEADHL O=C([O-])N1CCC[C@@H](C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)C1 ZINC000740475808 602263635 /nfs/dbraw/zinc/26/36/35/602263635.db2.gz CGCUOBKRIHRUFS-GFCCVEGCSA-N -2 3 366.381 2.348 20 0 FEADHL O=C([O-])N1CCc2cc(NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)ccc21 ZINC000740471288 602270905 /nfs/dbraw/zinc/27/09/05/602270905.db2.gz WSRCDOANUUCHTG-UHFFFAOYSA-N -2 3 366.333 2.255 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1cccs1 ZINC000558473502 674498248 /nfs/dbraw/zinc/49/82/48/674498248.db2.gz GFPCQBUZNMOKDR-SECBINFHSA-N -2 3 366.342 2.266 20 0 FEADHL O=C([O-])NC[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)C1CCCCC1 ZINC000740610905 602491382 /nfs/dbraw/zinc/49/13/82/602491382.db2.gz JBZNESKRLLWDEX-KMPOOHAWSA-N -2 3 357.410 2.104 20 0 FEADHL O=C([O-])N1CCC(N(C(=O)c2nnc3ccccc3c2[O-])C2CC2)CC1 ZINC000740501544 603058016 /nfs/dbraw/zinc/05/80/16/603058016.db2.gz YWUFFPUYGQAVSL-UHFFFAOYSA-N -2 3 356.382 2.082 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](N(C)C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000830684941 604241796 /nfs/dbraw/zinc/24/17/96/604241796.db2.gz DCKAJJLFHIXHCS-CQSZACIVSA-N -2 3 371.397 2.374 20 0 FEADHL CC1([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)Cc2ccccc2C1 ZINC000833571668 604553188 /nfs/dbraw/zinc/55/31/88/604553188.db2.gz PTASHXAUOJIOPP-UHFFFAOYSA-N -2 3 367.373 2.499 20 0 FEADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(O)cc2[O-])c(OC)c1 ZINC000833732462 604628828 /nfs/dbraw/zinc/62/88/28/604628828.db2.gz QUHYDYIBLQPHOS-CQSZACIVSA-N -2 3 361.350 2.061 20 0 FEADHL Cc1nc(C2([N-]S(=O)(=O)c3ccccc3C(=O)[O-])CCCCC2)no1 ZINC000564923600 605015936 /nfs/dbraw/zinc/01/59/36/605015936.db2.gz RUEQGBGJQPUBAH-UHFFFAOYSA-N -2 3 365.411 2.214 20 0 FEADHL C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000833623013 605184005 /nfs/dbraw/zinc/18/40/05/605184005.db2.gz CSNXGQNPLJXFMV-SNVBAGLBSA-N -2 3 360.332 2.032 20 0 FEADHL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)CCOC(C)C)c1 ZINC000833753909 605189902 /nfs/dbraw/zinc/18/99/02/605189902.db2.gz BVVGTQNECXVSJB-UHFFFAOYSA-N -2 3 367.427 2.046 20 0 FEADHL CC(C)(C)C[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C(=O)[O-] ZINC000833430795 605236920 /nfs/dbraw/zinc/23/69/20/605236920.db2.gz ZDRLSXTXHRFDPQ-GFCCVEGCSA-N -2 3 361.391 2.243 20 0 FEADHL Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)[O-] ZINC000829956156 605307793 /nfs/dbraw/zinc/30/77/93/605307793.db2.gz CDDOQRAAYYNDGZ-UHFFFAOYSA-N -2 3 352.354 2.195 20 0 FEADHL Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)[O-] ZINC000829956156 605307797 /nfs/dbraw/zinc/30/77/97/605307797.db2.gz CDDOQRAAYYNDGZ-UHFFFAOYSA-N -2 3 352.354 2.195 20 0 FEADHL O=C([O-])N1CCC[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000831714986 605658136 /nfs/dbraw/zinc/65/81/36/605658136.db2.gz KVIVALGFBHATQK-JTQLQIEISA-N -2 3 372.219 2.096 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-]c1cc(-c2nnn[n-]2)ccc1C ZINC000821910608 607155424 /nfs/dbraw/zinc/15/54/24/607155424.db2.gz FEXLKJRZJCZEAX-UHFFFAOYSA-N -2 3 351.413 2.046 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1C ZINC000821910608 607155425 /nfs/dbraw/zinc/15/54/25/607155425.db2.gz FEXLKJRZJCZEAX-UHFFFAOYSA-N -2 3 351.413 2.046 20 0 FEADHL COc1cc(-c2nnn[n-]2)ccc1CO[N-]C(=O)C(C)(C)c1ccccc1 ZINC000826173037 608323773 /nfs/dbraw/zinc/32/37/73/608323773.db2.gz KGCODWDSMNUENB-UHFFFAOYSA-N -2 3 367.409 2.401 20 0 FEADHL COc1cc(-c2nn[n-]n2)ccc1CO[N-]C(=O)C(C)(C)c1ccccc1 ZINC000826173037 608323775 /nfs/dbraw/zinc/32/37/75/608323775.db2.gz KGCODWDSMNUENB-UHFFFAOYSA-N -2 3 367.409 2.401 20 0 FEADHL CC1(C)CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000824803489 608563123 /nfs/dbraw/zinc/56/31/23/608563123.db2.gz VMFAONUGUJUZGA-SECBINFHSA-N -2 3 357.386 2.002 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c(O)c1 ZINC000826291396 609524352 /nfs/dbraw/zinc/52/43/52/609524352.db2.gz DIEFMTMDYSAPHR-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c(O)c1 ZINC000826291396 609524353 /nfs/dbraw/zinc/52/43/53/609524353.db2.gz DIEFMTMDYSAPHR-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1cc(Cl)ccc1F ZINC000560014053 674563707 /nfs/dbraw/zinc/56/37/07/674563707.db2.gz XIIQSVJZUCQYQX-UHFFFAOYSA-N -2 3 367.793 2.384 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1cc(Cl)ccc1F ZINC000560014053 674563710 /nfs/dbraw/zinc/56/37/10/674563710.db2.gz XIIQSVJZUCQYQX-UHFFFAOYSA-N -2 3 367.793 2.384 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)C)cc2)c1 ZINC000561263229 674651879 /nfs/dbraw/zinc/65/18/79/674651879.db2.gz PCTCSHYQTUTOMX-UHFFFAOYSA-N -2 3 364.423 2.340 20 0 FEADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000564548057 675034785 /nfs/dbraw/zinc/03/47/85/675034785.db2.gz MQXQHPSTHKPPPV-SFYZADRCSA-N -2 3 366.208 2.120 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000570447844 670715659 /nfs/dbraw/zinc/71/56/59/670715659.db2.gz CBEUHZBIDPBLGF-RYUDHWBXSA-N -2 3 368.436 2.040 20 0 FEADHL COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000565597310 675135281 /nfs/dbraw/zinc/13/52/81/675135281.db2.gz LQBDPISGVBMRQK-JTQLQIEISA-N -2 3 370.452 2.007 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]Cc1ccccc1OCC1CC1 ZINC000565831420 675154359 /nfs/dbraw/zinc/15/43/59/675154359.db2.gz PQXPWHQNEHWFFD-UHFFFAOYSA-N -2 3 368.436 2.109 20 0 FEADHL Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000574319444 671226443 /nfs/dbraw/zinc/22/64/43/671226443.db2.gz KPTZTVXTLLVUMF-UHFFFAOYSA-N -2 3 354.453 2.406 20 0 FEADHL O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000574569720 671255795 /nfs/dbraw/zinc/25/57/95/671255795.db2.gz ZOMJOUFKKVUQSK-BDAKNGLRSA-N -2 3 352.334 2.022 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000576224549 671353309 /nfs/dbraw/zinc/35/33/09/671353309.db2.gz XBHDPKQXWCNLQR-NEPJUHHUSA-N -2 3 368.436 2.040 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCC1 ZINC000577331343 671588002 /nfs/dbraw/zinc/58/80/02/671588002.db2.gz FJABIAFKIHSESY-UHFFFAOYSA-N -2 3 371.308 2.258 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]CCCOc2ccc(F)cc2)cc1C(=O)[O-] ZINC000577845940 671623922 /nfs/dbraw/zinc/62/39/22/671623922.db2.gz OOJVZKVWIMZSKN-UHFFFAOYSA-N -2 3 357.359 2.173 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CC1CC(c2ccccc2)C1 ZINC000578765263 671688405 /nfs/dbraw/zinc/68/84/05/671688405.db2.gz QKAJMJXYPCTVBW-UHFFFAOYSA-N -2 3 352.437 2.313 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000579349946 671729572 /nfs/dbraw/zinc/72/95/72/671729572.db2.gz TXUHYHITYOGATD-WCQYABFASA-N -2 3 368.436 2.040 20 0 FEADHL COc1ccc([C@@H](OC)[C@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000580190286 671789231 /nfs/dbraw/zinc/78/92/31/671789231.db2.gz KVELLJBLNSZELE-BONVTDFDSA-N -2 3 369.395 2.041 20 0 FEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-] ZINC000581047124 671858387 /nfs/dbraw/zinc/85/83/87/671858387.db2.gz YQPSSJDNGNXPEY-VIFPVBQESA-N -2 3 371.436 2.220 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000582336700 671990612 /nfs/dbraw/zinc/99/06/12/671990612.db2.gz TXAOORYGHJQVCZ-CQSZACIVSA-N -2 3 354.453 2.427 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H]1SCCc2ccccc21 ZINC000584588594 672202646 /nfs/dbraw/zinc/20/26/46/672202646.db2.gz QEYJNOLPLBANMX-LLVKDONJSA-N -2 3 370.477 2.150 20 0 FEADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000176720460 672376635 /nfs/dbraw/zinc/37/66/35/672376635.db2.gz CWEJSXHAJBWKNK-UHFFFAOYSA-N -2 3 363.226 2.406 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(Cl)nc2)c(F)cc1F ZINC000184900028 672511158 /nfs/dbraw/zinc/51/11/58/672511158.db2.gz MYQPLMJNACMTAR-UHFFFAOYSA-N -2 3 362.741 2.190 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000302481221 673015954 /nfs/dbraw/zinc/01/59/54/673015954.db2.gz SHRDCQTWVJZRBD-ZETCQYMHSA-N -2 3 370.652 2.492 20 0 FEADHL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c(O)c1 ZINC000538298001 673432680 /nfs/dbraw/zinc/43/26/80/673432680.db2.gz HDPSANHMTFGFBY-UHFFFAOYSA-N -2 3 367.379 2.084 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)c1 ZINC000539400620 673488812 /nfs/dbraw/zinc/48/88/12/673488812.db2.gz RUBZGHJMMWHJRO-UHFFFAOYSA-N -2 3 362.407 2.094 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-])c(F)c1F ZINC000600657472 673786782 /nfs/dbraw/zinc/78/67/82/673786782.db2.gz KLRTYMNSHLLGJI-SECBINFHSA-N -2 3 353.412 2.005 20 0 FEADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000547570228 673865496 /nfs/dbraw/zinc/86/54/96/673865496.db2.gz VIFWRQQXWCOYME-VIFPVBQESA-N -2 3 365.249 2.012 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CCOCC1 ZINC000547936309 673907153 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FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCCO2)c1Cl ZINC000630422635 676899241 /nfs/dbraw/zinc/89/92/41/676899241.db2.gz MTMZOBRHXXYMME-KOLCDFICSA-N -2 3 368.238 2.212 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)o1 ZINC000645992072 677276520 /nfs/dbraw/zinc/27/65/20/677276520.db2.gz CODBXTDPLBIBLA-RISCZKNCSA-N -2 3 373.333 2.065 20 0 FEADHL CC[C@H](OCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000650440802 677375226 /nfs/dbraw/zinc/37/52/26/677375226.db2.gz OERKEZCYHJWBJN-AWEZNQCLSA-N -2 3 353.396 2.424 20 0 FEADHL CC[C@@H](OCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000650440969 677375278 /nfs/dbraw/zinc/37/52/78/677375278.db2.gz WVOVCEGMDGNJSK-CYBMUJFWSA-N -2 3 353.396 2.424 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1C(N)=O ZINC000763281062 680778282 /nfs/dbraw/zinc/77/82/82/680778282.db2.gz WERSKFVPNFSOGX-UHFFFAOYSA-N -2 3 366.370 2.040 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(C)c2)oc1C(=O)[O-] ZINC000663425590 678736241 /nfs/dbraw/zinc/73/62/41/678736241.db2.gz ZASYCVUIOCBAIK-GFCCVEGCSA-N -2 3 353.396 2.340 20 0 FEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H]1C(C)(C)C1(F)F ZINC000663426966 678736468 /nfs/dbraw/zinc/73/64/68/678736468.db2.gz PYGUFCPWWSUAAB-MRVPVSSYSA-N -2 3 355.384 2.025 20 0 FEADHL CCCc1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000840894343 680850394 /nfs/dbraw/zinc/85/03/94/680850394.db2.gz RFNXFEVZOLIVLK-UHFFFAOYSA-N -2 3 358.803 2.457 20 0 FEADHL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000768299482 680943631 /nfs/dbraw/zinc/94/36/31/680943631.db2.gz IZATZRMYTQVDEP-UHFFFAOYSA-N -2 3 370.814 2.254 20 0 FEADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)CC(=O)[O-] ZINC000844792134 681082813 /nfs/dbraw/zinc/08/28/13/681082813.db2.gz RBPJYVHLZOMQSD-QMMMGPOBSA-N -2 3 352.815 2.289 20 0 FEADHL O=C(Nc1nc(Br)ccc1[O-])c1ccc2n[n-]c(=S)n2c1 ZINC000774093835 681168377 /nfs/dbraw/zinc/16/83/77/681168377.db2.gz BTWCIIQMDGPAJE-UHFFFAOYSA-N -2 3 366.200 2.133 20 0 FEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-] ZINC000776589506 681412034 /nfs/dbraw/zinc/41/20/34/681412034.db2.gz MUZVLQLGPXBHDR-SECBINFHSA-N -2 3 371.436 2.077 20 0 FEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000776639723 681421491 /nfs/dbraw/zinc/42/14/91/681421491.db2.gz BVYJVTNNDDVQFZ-UHFFFAOYSA-N -2 3 368.223 2.022 20 0 FEADHL C[C@@](NC(=O)NCc1ccc([O-])c(Br)c1)(C(=O)[O-])C1CC1 ZINC000780687606 681860349 /nfs/dbraw/zinc/86/03/49/681860349.db2.gz FVHVSFMLLAJWMN-AWEZNQCLSA-N -2 3 357.204 2.207 20 0 FEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)c1ccccc1F ZINC000914564598 685508464 /nfs/dbraw/zinc/50/84/64/685508464.db2.gz QBLHAYCWSLWCFS-LLVKDONJSA-N -2 3 358.778 2.368 20 0 FEADHL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCCCC(F)(F)F ZINC000852735049 682331030 /nfs/dbraw/zinc/33/10/30/682331030.db2.gz DVIJQYDGEPDSLQ-RKDXNWHRSA-N -2 3 364.286 2.315 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C1CCC1 ZINC000853024692 682364974 /nfs/dbraw/zinc/36/49/74/682364974.db2.gz MRWYWLONNJVBMI-QMMMGPOBSA-N -2 3 353.227 2.168 20 0 FEADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(N)=O)cc1 ZINC000793353785 682884275 /nfs/dbraw/zinc/88/42/75/682884275.db2.gz RFXBNNQDZYTUQN-UHFFFAOYSA-N -2 3 367.358 2.124 20 0 FEADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000793356978 682884598 /nfs/dbraw/zinc/88/45/98/682884598.db2.gz FXQBSLKKOGGBSM-UHFFFAOYSA-N -3 3 371.317 2.470 20 0 FEADHL COc1cc(F)c(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])cc1F ZINC000926464847 683128197 /nfs/dbraw/zinc/12/81/97/683128197.db2.gz NRAJJSOXHLRMJE-UHFFFAOYSA-N -2 3 351.371 2.143 20 0 FEADHL COc1c(F)cccc1S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F ZINC000864438982 683852973 /nfs/dbraw/zinc/85/29/73/683852973.db2.gz FRALGDSBPAEHSS-QMMMGPOBSA-N -2 3 373.324 2.156 20 0 FEADHL O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000864501317 683860998 /nfs/dbraw/zinc/86/09/98/683860998.db2.gz VGFUWVGCOUSKKX-KNVOCYPGSA-N -2 3 368.636 2.244 20 0 FEADHL O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000890538704 688935870 /nfs/dbraw/zinc/93/58/70/688935870.db2.gz MSJAOGHTALCHBU-VIFPVBQESA-N -2 3 369.208 2.203 20 0 FEADHL CCc1cc(=O)[n-]c(CN[C@H](C(=O)[O-])c2ccccc2Br)n1 ZINC000905394466 691113129 /nfs/dbraw/zinc/11/31/29/691113129.db2.gz HYURRQAHOTZPJQ-AWEZNQCLSA-N -2 3 366.215 2.423 20 0 FEADHL CC(C)(C)c1nc([N-][C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)no1 ZINC000515003322 816059291 /nfs/dbraw/zinc/05/92/91/816059291.db2.gz JUVLVDVOKZVZMJ-OLZOCXBDSA-N -2 3 358.398 2.206 20 0 FEADHL Cc1cccc([C@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C(=O)[O-])c1C ZINC000584876577 939800578 /nfs/dbraw/zinc/80/05/78/939800578.db2.gz VIGZGQGOCXGXHO-HNNXBMFYSA-N -2 3 367.361 2.134 20 0 FEADHL COc1cccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000008029872 539475471 /nfs/dbraw/zinc/47/54/71/539475471.db2.gz UBRPNOCNPJVHKS-UHFFFAOYSA-N -2 3 353.371 2.054 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc([O-])c(C(=O)NC3CC3)c2)cc1 ZINC000011406334 539528520 /nfs/dbraw/zinc/52/85/20/539528520.db2.gz LOVNFFYHBHUSBB-UHFFFAOYSA-N -2 3 362.407 2.094 20 0 FEADHL COc1ccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000013196199 539584289 /nfs/dbraw/zinc/58/42/89/539584289.db2.gz GFYJOXJVUMKRKK-CQSZACIVSA-N -2 3 371.361 2.468 20 0 FEADHL CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1[O-] ZINC000014063322 539594275 /nfs/dbraw/zinc/59/42/75/539594275.db2.gz WVYPGJYGBQWSAZ-UHFFFAOYSA-N -2 3 364.423 2.341 20 0 FEADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000037574103 539997016 /nfs/dbraw/zinc/99/70/16/539997016.db2.gz VGXYGFAXZVCOFQ-SECBINFHSA-N -2 3 354.197 2.120 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCOC2)c(Cl)cc1Cl ZINC000037737952 539997085 /nfs/dbraw/zinc/99/70/85/539997085.db2.gz OZUQLAUWVNHJRG-ZETCQYMHSA-N -2 3 354.211 2.006 20 0 FEADHL CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000042794315 540079018 /nfs/dbraw/zinc/07/90/18/540079018.db2.gz WMCNLTWSDLNROW-UHFFFAOYSA-N -2 3 368.798 2.199 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1F ZINC000055586702 540661629 /nfs/dbraw/zinc/66/16/29/540661629.db2.gz FCWSNTJVHIVWEM-UHFFFAOYSA-N -2 3 358.416 2.306 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c[nH]1 ZINC000021811207 324396356 /nfs/dbraw/zinc/39/63/56/324396356.db2.gz WIPNOFVVUHGDGR-UHFFFAOYSA-N -2 3 363.164 2.415 20 0 FEADHL CSCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000034936914 324485808 /nfs/dbraw/zinc/48/58/08/324485808.db2.gz VSPGJCDGXMCPSD-SNVBAGLBSA-N -2 3 358.268 2.478 20 0 FEADHL O=C([O-])c1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000263405579 328937863 /nfs/dbraw/zinc/93/78/63/328937863.db2.gz HQNHNJCMNFGMAK-UHFFFAOYSA-N -2 3 368.389 2.125 20 0 FEADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2c(C)cccc2F)(C(=O)[O-])C1(C)C ZINC000275639274 330073252 /nfs/dbraw/zinc/07/32/52/330073252.db2.gz NAZWHYZWKNJMSJ-BLLLJJGKSA-N -2 3 359.419 2.071 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])Cc2ccccc2)s1 ZINC000262477672 518193277 /nfs/dbraw/zinc/19/32/77/518193277.db2.gz VGPHYFUVADVSNH-ZDUSSCGKSA-N -2 3 354.453 2.206 20 0 FEADHL CC(C)CO[N-]C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000156520490 545633644 /nfs/dbraw/zinc/63/36/44/545633644.db2.gz XTPFUYWPKJSNPI-SNVBAGLBSA-N -2 3 368.377 2.076 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC)cc1C(=O)[O-] ZINC000479555205 561191881 /nfs/dbraw/zinc/19/18/81/561191881.db2.gz SSQHBHJVXSBHCZ-UHFFFAOYSA-N -2 3 355.343 2.342 20 0 FEADHL COc1cc(S(=O)(=O)[N-]CC2(C(F)F)CC2)c(Cl)cc1C(=O)[O-] ZINC000479904185 561199078 /nfs/dbraw/zinc/19/90/78/561199078.db2.gz SAJJPUNOZSOJGB-UHFFFAOYSA-N -2 3 369.773 2.370 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)ccc1[O-] ZINC000480702458 561214786 /nfs/dbraw/zinc/21/47/86/561214786.db2.gz WHPPTILZRWARIF-UHFFFAOYSA-N -2 3 372.406 2.337 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC000485082875 561312205 /nfs/dbraw/zinc/31/22/05/561312205.db2.gz WVOULCBDPABFOC-VIFPVBQESA-N -2 3 363.457 2.093 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000262488175 549824056 /nfs/dbraw/zinc/82/40/56/549824056.db2.gz WYBROZWVFJQVPC-AWEZNQCLSA-N -2 3 352.412 2.046 20 0 FEADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CC1 ZINC000263163213 549882779 /nfs/dbraw/zinc/88/27/79/549882779.db2.gz QWSAPVLFYYPVQX-UHFFFAOYSA-N -2 3 367.345 2.349 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccc(C)o1 ZINC000273728442 550509391 /nfs/dbraw/zinc/50/93/91/550509391.db2.gz RKCPQJMMWRPQAG-ZDUSSCGKSA-N -2 3 353.396 2.261 20 0 FEADHL Cc1nc(C)c(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)s1 ZINC000285285749 551732149 /nfs/dbraw/zinc/73/21/49/551732149.db2.gz XBCRBPANRALBBU-MRVPVSSYSA-N -2 3 360.379 2.082 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]Cc2noc3c2CCCC3)cc1C(=O)[O-] ZINC000287207508 551976354 /nfs/dbraw/zinc/97/63/54/551976354.db2.gz MHCKWFGFWIYZGO-UHFFFAOYSA-N -2 3 368.386 2.178 20 0 FEADHL COC(=O)[C@@H](C)Oc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1 ZINC000504728612 561661761 /nfs/dbraw/zinc/66/17/61/561661761.db2.gz FJYWZGXXVLVMSF-OJIASSBASA-N -2 3 372.377 2.228 20 0 FEADHL O=C([O-])[C@@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000323908522 553770549 /nfs/dbraw/zinc/77/05/49/553770549.db2.gz RFONNECNSJPCJB-CYBMUJFWSA-N -2 3 373.789 2.159 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)ccc1[O-] ZINC000324626142 553773137 /nfs/dbraw/zinc/77/31/37/553773137.db2.gz SLONVRNCDKMFLN-UHFFFAOYSA-N -2 3 368.436 2.315 20 0 FEADHL O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000325849484 553778364 /nfs/dbraw/zinc/77/83/64/553778364.db2.gz SYKAQBNNLAOEHL-HNNXBMFYSA-N -2 3 355.362 2.329 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC000326566843 553781697 /nfs/dbraw/zinc/78/16/97/553781697.db2.gz XRKGZAZADIFVOY-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)ccc1C(=O)[O-] ZINC000506651512 561704901 /nfs/dbraw/zinc/70/49/01/561704901.db2.gz AGUNNVAFEGARRV-HSZRJFAPSA-N -2 3 367.448 2.373 20 0 FEADHL C[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)ccc1F ZINC000507564538 561733340 /nfs/dbraw/zinc/73/33/40/561733340.db2.gz IDVHWIBJTVPZHG-UHFFFAOYSA-N -2 3 372.443 2.151 20 0 FEADHL CC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1F ZINC000507612963 561735228 /nfs/dbraw/zinc/73/52/28/561735228.db2.gz LURNUSFXYVLGAV-UHFFFAOYSA-N -3 3 353.327 2.233 20 0 FEADHL CCOc1cc(-c2noc(-c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)n2)ccc1[O-] ZINC000350785112 554812990 /nfs/dbraw/zinc/81/29/90/554812990.db2.gz AKSXVJWKHSDVNO-UHFFFAOYSA-N -2 3 367.321 2.257 20 0 FEADHL CCCn1[n-]cc/c1=N\C(=O)CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000364029216 555236344 /nfs/dbraw/zinc/23/63/44/555236344.db2.gz ANRPNGCBBKTZGJ-RELWKKBWSA-N -2 3 370.453 2.231 20 0 FEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc(-c4ncco4)c3)ccc21 ZINC000513818799 561951167 /nfs/dbraw/zinc/95/11/67/561951167.db2.gz KKLZKXSQMGYJPQ-UHFFFAOYSA-N -2 3 369.358 2.026 20 0 FEADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-][C@H]1COc2ccc(C)cc21 ZINC000514726199 561976362 /nfs/dbraw/zinc/97/63/62/561976362.db2.gz YOVKVLCXQUGQEY-NSHDSACASA-N -2 3 353.421 2.475 20 0 FEADHL Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000517028695 562072230 /nfs/dbraw/zinc/07/22/30/562072230.db2.gz KUEUVGUNSMRFIN-NSHDSACASA-N -2 3 370.452 2.204 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C1CC1 ZINC000517234068 562081603 /nfs/dbraw/zinc/08/16/03/562081603.db2.gz QHWATVRKNHIHEA-LBPRGKRZSA-N -2 3 352.437 2.141 20 0 FEADHL O=C([O-])c1cc([N-]S(=O)(=O)CCOCC(F)(F)F)ccc1Cl ZINC000517637976 562094323 /nfs/dbraw/zinc/09/43/23/562094323.db2.gz WIXBIDMKNMTJNU-UHFFFAOYSA-N -2 3 361.725 2.359 20 0 FEADHL CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1 ZINC000519149889 562125991 /nfs/dbraw/zinc/12/59/91/562125991.db2.gz NZJOZABFAFGEBA-UHFFFAOYSA-N -2 3 370.402 2.044 20 0 FEADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3ccccc3F)co2)o1 ZINC000373613501 557729520 /nfs/dbraw/zinc/72/95/20/557729520.db2.gz UJOIIVQFIIGQCZ-UHFFFAOYSA-N -2 3 365.342 2.234 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000521620835 562180560 /nfs/dbraw/zinc/18/05/60/562180560.db2.gz MRDWCSAQXHLBHB-TZMCWYRMSA-N -2 3 373.333 2.065 20 0 FEADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000392159998 558615955 /nfs/dbraw/zinc/61/59/55/558615955.db2.gz RSJCDKZIWNRSSF-UHFFFAOYSA-N -2 3 352.343 2.283 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCCC2CCOCC2)c1 ZINC000414321536 559156153 /nfs/dbraw/zinc/15/61/53/559156153.db2.gz FGUOQWHITGSQTP-UHFFFAOYSA-N -2 3 359.419 2.317 20 0 FEADHL COc1ncc(C[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1Cl ZINC000414337302 559157085 /nfs/dbraw/zinc/15/70/85/559157085.db2.gz WZQJSXRXMYTCLW-UHFFFAOYSA-N -2 3 374.802 2.130 20 0 FEADHL CCCc1nc(=NC[C@@H](Cc2ccc([O-])c(F)c2)C(=O)OC)s[n-]1 ZINC000420643896 559494756 /nfs/dbraw/zinc/49/47/56/559494756.db2.gz XSOJTWVEVYCULK-LLVKDONJSA-N -2 3 353.419 2.201 20 0 FEADHL COc1ccc([O-])c(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000431977496 559849706 /nfs/dbraw/zinc/84/97/06/559849706.db2.gz NCNMYRCGBOCMEZ-UHFFFAOYSA-N -2 3 351.305 2.406 20 0 FEADHL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1 ZINC000432780483 559864440 /nfs/dbraw/zinc/86/44/40/559864440.db2.gz NTZXVKIYKWXTEM-UHFFFAOYSA-N -2 3 350.396 2.260 20 0 FEADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000433609211 559885082 /nfs/dbraw/zinc/88/50/82/559885082.db2.gz RIHREWDIWSCAAN-UHFFFAOYSA-N -2 3 374.415 2.007 20 0 FEADHL O=C(c1ccccc1[O-])N1CCC(N=c2nc(C(F)(F)F)[n-]s2)CC1 ZINC000436580482 559945703 /nfs/dbraw/zinc/94/57/03/559945703.db2.gz XEMASOOQCZTPDP-UHFFFAOYSA-N -2 3 372.372 2.401 20 0 FEADHL CCCCn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1C ZINC000448126620 560178386 /nfs/dbraw/zinc/17/83/86/560178386.db2.gz SRDQBOIHVIPSNI-UHFFFAOYSA-N -3 3 353.400 2.196 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)N(C)C)c1 ZINC000464539115 560844749 /nfs/dbraw/zinc/84/47/49/560844749.db2.gz UAAVFGOVNSRYQQ-UHFFFAOYSA-N -2 3 368.386 2.043 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1 ZINC000466284287 560883600 /nfs/dbraw/zinc/88/36/00/560883600.db2.gz ZYHXRMBHZMVGBD-HSZRJFAPSA-N -2 3 367.448 2.373 20 0 FEADHL CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474435616 561074006 /nfs/dbraw/zinc/07/40/06/561074006.db2.gz SCFOUDPBASRQEC-RDDDGLTNSA-N -2 3 352.815 2.087 20 0 FEADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC000530339184 562407442 /nfs/dbraw/zinc/40/74/42/562407442.db2.gz KMDIKUBAFDGWNJ-NSHDSACASA-N -2 3 362.379 2.142 20 0 FEADHL COc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC000532291629 562472934 /nfs/dbraw/zinc/47/29/34/562472934.db2.gz MADXZBIVRRKFRF-UHFFFAOYSA-N -3 3 369.326 2.032 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2OC)c1 ZINC000537196798 562587474 /nfs/dbraw/zinc/58/74/74/562587474.db2.gz PZJDPKDRKYLZRO-UHFFFAOYSA-N -2 3 369.395 2.227 20 0 FEADHL COC(=O)c1cc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])ccc1C ZINC000537197100 562587595 /nfs/dbraw/zinc/58/75/95/562587595.db2.gz KSOVGSIQKGPMDT-UHFFFAOYSA-N -2 3 351.380 2.297 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000806636617 674384746 /nfs/dbraw/zinc/38/47/46/674384746.db2.gz REOOJBMWFIUZHP-ZETCQYMHSA-N -2 3 359.297 2.113 20 0 FEADHL Cc1nc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)cc2o1 ZINC000737489441 598841166 /nfs/dbraw/zinc/84/11/66/598841166.db2.gz XUPGSISLQKBZNY-UHFFFAOYSA-N -2 3 374.357 2.256 20 0 FEADHL Cc1nc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)cc2o1 ZINC000737489441 598841167 /nfs/dbraw/zinc/84/11/67/598841167.db2.gz XUPGSISLQKBZNY-UHFFFAOYSA-N -2 3 374.357 2.256 20 0 FEADHL Cc1nc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)sc1C ZINC000737482780 598890769 /nfs/dbraw/zinc/89/07/69/598890769.db2.gz PESRHPNGQRBTFF-UHFFFAOYSA-N -2 3 370.847 2.394 20 0 FEADHL Cc1nc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)sc1C ZINC000737482780 598890771 /nfs/dbraw/zinc/89/07/71/598890771.db2.gz PESRHPNGQRBTFF-UHFFFAOYSA-N -2 3 370.847 2.394 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(Br)c2)o1 ZINC000048818491 599774807 /nfs/dbraw/zinc/77/48/07/599774807.db2.gz ZELZHCRTMNMKHS-UHFFFAOYSA-N -2 3 360.185 2.219 20 0 FEADHL CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736424785 598416243 /nfs/dbraw/zinc/41/62/43/598416243.db2.gz SLJSPMMUZIOMOC-VIFPVBQESA-N -2 3 371.850 2.151 20 0 FEADHL CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736424785 598416245 /nfs/dbraw/zinc/41/62/45/598416245.db2.gz SLJSPMMUZIOMOC-VIFPVBQESA-N -2 3 371.850 2.151 20 0 FEADHL O=S(=O)([N-]c1cccc2cccnc21)c1ccccc1-c1nnn[n-]1 ZINC000738341025 598513955 /nfs/dbraw/zinc/51/39/55/598513955.db2.gz CKLAXYMCPSOSKA-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=S(=O)([N-]c1cccc2cccnc21)c1ccccc1-c1nn[n-]n1 ZINC000738341025 598513956 /nfs/dbraw/zinc/51/39/56/598513956.db2.gz CKLAXYMCPSOSKA-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL Cc1nc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(Br)n1C ZINC000808101226 674441100 /nfs/dbraw/zinc/44/11/00/674441100.db2.gz SOISVDVUZRWQFM-UHFFFAOYSA-N -2 3 364.196 2.137 20 0 FEADHL O=C([O-])c1ccc(NC(=O)CO[N-]C(=O)CCCc2ccccc2)cc1 ZINC000739235709 599711547 /nfs/dbraw/zinc/71/15/47/599711547.db2.gz ITPKXCHZTDFFHZ-UHFFFAOYSA-N -2 3 356.378 2.394 20 0 FEADHL CC(C)([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000736341147 599742859 /nfs/dbraw/zinc/74/28/59/599742859.db2.gz KXEMWIKDMYTYOS-UHFFFAOYSA-N -2 3 356.625 2.244 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2)o1 ZINC000042373624 599778340 /nfs/dbraw/zinc/77/83/40/599778340.db2.gz IJJAJQUWFWWLKH-UHFFFAOYSA-N -2 3 360.185 2.219 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c([O-])c1 ZINC000738514387 599815886 /nfs/dbraw/zinc/81/58/86/599815886.db2.gz FPBRNAWGNFAGPO-UHFFFAOYSA-N -2 3 370.405 2.177 20 0 FEADHL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000327544893 599852590 /nfs/dbraw/zinc/85/25/90/599852590.db2.gz WBNKFXYXKSCITL-UHFFFAOYSA-N -3 3 366.351 2.118 20 0 FEADHL Cc1nc(C)c(CCC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c(=O)[n-]1 ZINC000738848770 600287283 /nfs/dbraw/zinc/28/72/83/600287283.db2.gz YQWROILCPKZROC-UHFFFAOYSA-N -2 3 358.398 2.480 20 0 FEADHL O=C([O-])c1cc(Cl)cc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000739442682 600510427 /nfs/dbraw/zinc/51/04/27/600510427.db2.gz RUJCIZPYMMCOFP-UHFFFAOYSA-N -2 3 366.732 2.138 20 0 FEADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Oc1ccc(Cl)cc1 ZINC000827508023 600795486 /nfs/dbraw/zinc/79/54/86/600795486.db2.gz TZOVGUVLFMRGSX-VIFPVBQESA-N -2 3 359.787 2.377 20 0 FEADHL O=C([O-])[C@@H](c1ccccc1F)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000833174943 601169570 /nfs/dbraw/zinc/16/95/70/601169570.db2.gz ZCLWYRBALSEIHX-QGZVFWFLSA-N -2 3 358.369 2.115 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]CCCOc2ccccc2C)cc1C(=O)[O-] ZINC000645962876 601220348 /nfs/dbraw/zinc/22/03/48/601220348.db2.gz MHYNWLKJKHJYIO-UHFFFAOYSA-N -2 3 353.396 2.342 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]CCc2nc3c(cccc3C)o2)cc1C(=O)[O-] ZINC000566175733 601223867 /nfs/dbraw/zinc/22/38/67/601223867.db2.gz CZUVUDAALKFHMS-UHFFFAOYSA-N -2 3 364.379 2.257 20 0 FEADHL C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827428464 601239399 /nfs/dbraw/zinc/23/93/99/601239399.db2.gz WTIWFRXTQYVUSO-JTQLQIEISA-N -2 3 372.393 2.301 20 0 FEADHL CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1(C)C ZINC000831526521 601239668 /nfs/dbraw/zinc/23/96/68/601239668.db2.gz HKLZNLZOQFINSK-ZUZCIYMTSA-N -2 3 363.382 2.145 20 0 FEADHL CCC1CCC([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)(C(=O)[O-])CC1 ZINC000829113025 601260768 /nfs/dbraw/zinc/26/07/68/601260768.db2.gz SKCFTQUSKUMDRD-UHFFFAOYSA-N -2 3 363.867 2.084 20 0 FEADHL CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000826805968 601382943 /nfs/dbraw/zinc/38/29/43/601382943.db2.gz AUWWPLPFMPDINC-JTQLQIEISA-N -2 3 353.329 2.371 20 0 FEADHL CN(C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])ccn1 ZINC000830631651 601473176 /nfs/dbraw/zinc/47/31/76/601473176.db2.gz VOOAZALTGQCBKY-UHFFFAOYSA-N -2 3 355.803 2.300 20 0 FEADHL O=C([O-])[C@H](c1ccccc1F)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000833173912 601593301 /nfs/dbraw/zinc/59/33/01/601593301.db2.gz JKOYKRJBKXGZAN-KRWDZBQOSA-N -2 3 358.369 2.115 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000776577912 601613139 /nfs/dbraw/zinc/61/31/39/601613139.db2.gz QZDLEBPQFGPUNR-JTQLQIEISA-N -2 3 355.309 2.376 20 0 FEADHL O=C([O-])N1[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H]2CCCC[C@@H]21 ZINC000740458579 602469937 /nfs/dbraw/zinc/46/99/37/602469937.db2.gz FOWHEHATUXYTAO-UBHSHLNASA-N -2 3 356.386 2.116 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(C(=O)[O-])C2)c1Cl ZINC000740133266 602569305 /nfs/dbraw/zinc/56/93/05/602569305.db2.gz PTKMFJWHFBQDME-MRVPVSSYSA-N -2 3 353.227 2.332 20 0 FEADHL O=C([O-])N1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000740519801 602593341 /nfs/dbraw/zinc/59/33/41/602593341.db2.gz JBHIZWMGHNDWBO-QMMMGPOBSA-N -2 3 353.227 2.414 20 0 FEADHL O=C([O-])N1CCc2ccc(NC(=O)c3cc4c(cc3[O-])OCO4)cc2C1 ZINC000740467059 602595133 /nfs/dbraw/zinc/59/51/33/602595133.db2.gz RABBMSBBLRARRF-UHFFFAOYSA-N -2 3 356.334 2.409 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](CN(C)C(=O)[O-])C3)nc2)n1 ZINC000739536886 602734794 /nfs/dbraw/zinc/73/47/94/602734794.db2.gz VQTUQMLQSJNFPX-LBPRGKRZSA-N -2 3 357.414 2.243 20 0 FEADHL C[C@](CNC(=O)[O-])([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C1CC1 ZINC000738927927 602879697 /nfs/dbraw/zinc/87/96/97/602879697.db2.gz WGUVKRFQXNQBQT-GFCCVEGCSA-N -2 3 368.242 2.103 20 0 FEADHL O=C([O-])NC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000832514468 603137713 /nfs/dbraw/zinc/13/77/13/603137713.db2.gz NCAWCBZTDIZINR-QPUJVOFHSA-N -2 3 366.361 2.209 20 0 FEADHL O=C([O-])Nc1ccc(C(=O)NC2CCN(Cc3cccnc3)CC2)c([O-])c1 ZINC000832833205 603897351 /nfs/dbraw/zinc/89/73/51/603897351.db2.gz IRWDMKCHZROHHT-UHFFFAOYSA-N -2 3 370.409 2.272 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)cc2)n1 ZINC000829894597 603957987 /nfs/dbraw/zinc/95/79/87/603957987.db2.gz USXIALMMTPNICV-TZMCWYRMSA-N -2 3 356.382 2.120 20 0 FEADHL O=C([O-])N1CCC[C@H]1CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000831714905 604272110 /nfs/dbraw/zinc/27/21/10/604272110.db2.gz HWQJIIFKNUEHKF-JTQLQIEISA-N -2 3 372.219 2.096 20 0 FEADHL Cc1nc(C)c(CC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c(=O)[n-]1 ZINC000832994932 604378821 /nfs/dbraw/zinc/37/88/21/604378821.db2.gz RKJUYBRUOQSGFF-INIZCTEOSA-N -2 3 357.410 2.310 20 0 FEADHL O=C([O-])c1ccccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000821553718 605120601 /nfs/dbraw/zinc/12/06/01/605120601.db2.gz OJVTYOHNWBRGDZ-UHFFFAOYSA-N -2 3 369.377 2.080 20 0 FEADHL O=C([O-])N1CCC[C@@H](OCC(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000831518259 605385494 /nfs/dbraw/zinc/38/54/94/605385494.db2.gz YAGSIZXYRIOPQJ-SNVBAGLBSA-N -2 3 373.203 2.252 20 0 FEADHL Cc1ccnc(N2CCN(C(=O)c3ccc(NC(=O)[O-])cc3[O-])CC2)c1 ZINC000830607988 605412551 /nfs/dbraw/zinc/41/25/51/605412551.db2.gz YTXZOFNXCYLTRI-UHFFFAOYSA-N -2 3 356.382 2.148 20 0 FEADHL O=C([O-])NCc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)o1 ZINC000832698259 605415277 /nfs/dbraw/zinc/41/52/77/605415277.db2.gz YKXZHNARFUUFRL-UHFFFAOYSA-N -2 3 369.171 2.445 20 0 FEADHL O=C([O-])N1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000834076656 605427909 /nfs/dbraw/zinc/42/79/09/605427909.db2.gz BDOLXRBWTWCKCT-MRVPVSSYSA-N -2 3 353.227 2.272 20 0 FEADHL O=C(CC1CCCCCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822941150 606177088 /nfs/dbraw/zinc/17/70/88/606177088.db2.gz RJWXMTHAVCLQDH-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL O=C(CC1CCCCCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822941150 606177089 /nfs/dbraw/zinc/17/70/89/606177089.db2.gz RJWXMTHAVCLQDH-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000822431727 606207224 /nfs/dbraw/zinc/20/72/24/606207224.db2.gz HMZWQQKICAIRSG-UHFFFAOYSA-N -2 3 370.847 2.394 20 0 FEADHL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000822431727 606207225 /nfs/dbraw/zinc/20/72/25/606207225.db2.gz HMZWQQKICAIRSG-UHFFFAOYSA-N -2 3 370.847 2.394 20 0 FEADHL O=S(=O)([N-]c1cccc2ccncc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823589198 606713167 /nfs/dbraw/zinc/71/31/67/606713167.db2.gz SHBGUFMHOOINSR-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820589451 606894905 /nfs/dbraw/zinc/89/49/05/606894905.db2.gz FVZYHJSBAZBCNY-LLVKDONJSA-N -2 3 357.386 2.002 20 0 FEADHL O=S(=O)([N-]c1c[nH]nc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826492597 608057975 /nfs/dbraw/zinc/05/79/75/608057975.db2.gz SWKMCJJSYIEYAP-UHFFFAOYSA-N -2 3 367.394 2.058 20 0 FEADHL O=S(=O)([N-]c1c[nH]nc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826492597 608057976 /nfs/dbraw/zinc/05/79/76/608057976.db2.gz SWKMCJJSYIEYAP-UHFFFAOYSA-N -2 3 367.394 2.058 20 0 FEADHL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825060528 608141201 /nfs/dbraw/zinc/14/12/01/608141201.db2.gz QHVKCRSCVIKOGK-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825060528 608141202 /nfs/dbraw/zinc/14/12/02/608141202.db2.gz QHVKCRSCVIKOGK-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000563071214 674844686 /nfs/dbraw/zinc/84/46/86/674844686.db2.gz YIAKZFBBLPEFLE-UHFFFAOYSA-N -2 3 354.453 2.449 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2O)ccc1[O-] ZINC000563590234 674912963 /nfs/dbraw/zinc/91/29/63/674912963.db2.gz SNKRUHJEDIJNAL-UHFFFAOYSA-N -2 3 364.379 2.060 20 0 FEADHL N#Cc1ccccc1S(=O)(=O)[N-][N-]C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000016154338 670015970 /nfs/dbraw/zinc/01/59/70/670015970.db2.gz VAEHIWQDFZLKCO-UHFFFAOYSA-N -2 3 359.451 2.084 20 0 FEADHL Cc1ccc(Br)cc1S(=O)(=O)[N-][N-]C(=O)C1CCCC1 ZINC000029048911 670094981 /nfs/dbraw/zinc/09/49/81/670094981.db2.gz YVHOGEJNHLBWKB-UHFFFAOYSA-N -2 3 361.261 2.257 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCCOc2ccc(F)cc21 ZINC000564923038 675077997 /nfs/dbraw/zinc/07/79/97/675077997.db2.gz AORDXPUYHYXHOZ-JTQLQIEISA-N -2 3 372.399 2.173 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)Oc1ccccc1C ZINC000570629788 670743507 /nfs/dbraw/zinc/74/35/07/670743507.db2.gz XIXGEGGSVXTNJD-ZDUSSCGKSA-N -2 3 353.396 2.422 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000094541067 670757919 /nfs/dbraw/zinc/75/79/19/670757919.db2.gz UWXPFXZWEDBXEJ-SSDOTTSWSA-N -2 3 356.263 2.208 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]N=c2c(F)c(F)[n-]c(F)c2F)cc1F ZINC000105386741 670800261 /nfs/dbraw/zinc/80/02/61/670800261.db2.gz DUZBITFNPNRCLR-UHFFFAOYSA-N -2 3 353.272 2.391 20 0 FEADHL O=C([N-]NC(=O)c1cc(Cl)ccc1[O-])c1ccn(-c2ccccc2)n1 ZINC000106126563 670808986 /nfs/dbraw/zinc/80/89/86/670808986.db2.gz IPARQAQWNZQBBZ-UHFFFAOYSA-N -2 3 356.769 2.306 20 0 FEADHL CC[C@](C)([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1nc(C)cs1 ZINC000572598885 671021818 /nfs/dbraw/zinc/02/18/18/671021818.db2.gz CNAAVVCBGCTHRM-LBPRGKRZSA-N -2 3 361.470 2.210 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000566066412 675177179 /nfs/dbraw/zinc/17/71/79/675177179.db2.gz RGJUSGRXWNGSBH-BBRMVZONSA-N -2 3 365.407 2.424 20 0 FEADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000566118954 675183176 /nfs/dbraw/zinc/18/31/76/675183176.db2.gz LTYRGCSRYQDBNH-KWQFWETISA-N -2 3 354.350 2.124 20 0 FEADHL CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000574938313 671287567 /nfs/dbraw/zinc/28/75/67/671287567.db2.gz VLESDTVOQJBGDJ-UHFFFAOYSA-N -2 3 352.387 2.424 20 0 FEADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccccc2C(=O)[O-])o1 ZINC000566177283 675190440 /nfs/dbraw/zinc/19/04/40/675190440.db2.gz OHOBODWQWXYHNM-CYBMUJFWSA-N -2 3 353.396 2.206 20 0 FEADHL Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000578320262 671656741 /nfs/dbraw/zinc/65/67/41/671656741.db2.gz JXAVNOJNGYRJGY-GFCCVEGCSA-N -2 3 353.396 2.340 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3F)CC2)o1 ZINC000582782727 672033430 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ZINC000556775628 674419393 /nfs/dbraw/zinc/41/93/93/674419393.db2.gz NNFOGLWURMQUKG-VIFPVBQESA-N -2 3 366.208 2.120 20 0 FEADHL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736437688 599245335 /nfs/dbraw/zinc/24/53/35/599245335.db2.gz JVGXBHVHOVIXPO-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736437688 599245338 /nfs/dbraw/zinc/24/53/38/599245338.db2.gz JVGXBHVHOVIXPO-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735963618 598437627 /nfs/dbraw/zinc/43/76/27/598437627.db2.gz IOEXZBRNMCLIET-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735963618 598437628 /nfs/dbraw/zinc/43/76/28/598437628.db2.gz IOEXZBRNMCLIET-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)ccc1F ZINC000738163456 599748654 /nfs/dbraw/zinc/74/86/54/599748654.db2.gz FCUNALWPLKYCCD-CQSZACIVSA-N -2 3 367.354 2.180 20 0 FEADHL Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000571281434 599774407 /nfs/dbraw/zinc/77/44/07/599774407.db2.gz XSRBWINCYHPEQW-LBPRGKRZSA-N -2 3 353.396 2.340 20 0 FEADHL CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC000565536665 599778905 /nfs/dbraw/zinc/77/89/05/599778905.db2.gz BJNAUIZXENFLGO-UHFFFAOYSA-N -2 3 358.441 2.253 20 0 FEADHL C[C@@]([N-]S(=O)(=O)c1ccc(Br)s1)(C(=O)[O-])C1CC1 ZINC000037373393 600239433 /nfs/dbraw/zinc/23/94/33/600239433.db2.gz NJPWGWZGEIBXCK-JTQLQIEISA-N -2 3 354.247 2.042 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccncc2)o1 ZINC000740173357 600341552 /nfs/dbraw/zinc/34/15/52/600341552.db2.gz KDHFXOCTPLZGAP-INIZCTEOSA-N -2 3 358.375 2.441 20 0 FEADHL O=C([O-])CCCc1nnc(NC(=O)c2c[n-]c3ccccc3c2=O)s1 ZINC000739709213 600555215 /nfs/dbraw/zinc/55/52/15/600555215.db2.gz ZAILBZHERBKVKK-UHFFFAOYSA-N -2 3 358.379 2.039 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000738546192 600679165 /nfs/dbraw/zinc/67/91/65/600679165.db2.gz LYHFIMLAKPLWIA-UHFFFAOYSA-N -3 3 371.317 2.470 20 0 FEADHL CC(C)(CC(=O)[O-])NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000736313393 600788074 /nfs/dbraw/zinc/78/80/74/600788074.db2.gz ZLCQYXKABFQCNU-UHFFFAOYSA-N -2 3 367.199 2.274 20 0 FEADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000026238625 600808457 /nfs/dbraw/zinc/80/84/57/600808457.db2.gz CCYVATWNEBQUJR-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000573798789 601219746 /nfs/dbraw/zinc/21/97/46/601219746.db2.gz MJZRKSKDEZHPON-GOEBONIOSA-N -2 3 365.407 2.485 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)ccc1Cl ZINC000833305893 601830834 /nfs/dbraw/zinc/83/08/34/601830834.db2.gz RZDZJGUEAHIJCQ-UHFFFAOYSA-N -2 3 371.798 2.210 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)c1-c1nnn[n-]1 ZINC000826303976 607536255 /nfs/dbraw/zinc/53/62/55/607536255.db2.gz PNWFONXEWBSZTM-NSHDSACASA-N -2 3 373.442 2.143 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)c1-c1nn[n-]n1 ZINC000826303976 607536257 /nfs/dbraw/zinc/53/62/57/607536257.db2.gz PNWFONXEWBSZTM-NSHDSACASA-N -2 3 373.442 2.143 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833022928 602218559 /nfs/dbraw/zinc/21/85/59/602218559.db2.gz MFDLXMGKYRWZOA-CQSZACIVSA-N -2 3 352.412 2.422 20 0 FEADHL Cc1nc(C)c(CCC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)c(=O)[n-]1 ZINC000740218184 602488277 /nfs/dbraw/zinc/48/82/77/602488277.db2.gz OWXHQFWQGNARES-UHFFFAOYSA-N -2 3 370.409 2.406 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]CCCN(C)C(=O)[O-])s1 ZINC000829900755 603107655 /nfs/dbraw/zinc/10/76/55/603107655.db2.gz VJGAHRDFRDEZSB-UHFFFAOYSA-N -2 3 371.278 2.097 20 0 FEADHL O=C([O-])NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000832480788 603128709 /nfs/dbraw/zinc/12/87/09/603128709.db2.gz AQUMDRDBQPAZAH-KWQFWETISA-N -2 3 350.799 2.194 20 0 FEADHL C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000825442713 603189428 /nfs/dbraw/zinc/18/94/28/603189428.db2.gz NQUDBRPFJKOCOO-SECBINFHSA-N -2 3 353.334 2.151 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@@H](NC(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000740208570 604310065 /nfs/dbraw/zinc/31/00/65/604310065.db2.gz LOZSJTHEIGJTCJ-CYBMUJFWSA-N -2 3 357.370 2.031 20 0 FEADHL C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000827597100 604395616 /nfs/dbraw/zinc/39/56/16/604395616.db2.gz LLNNHPMLEFABNO-SECBINFHSA-N -2 3 366.420 2.497 20 0 FEADHL CC(C)COc1cccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000580190553 605021081 /nfs/dbraw/zinc/02/10/81/605021081.db2.gz ZESWGJAAEUEETP-UHFFFAOYSA-N -2 3 370.452 2.355 20 0 FEADHL CC(C)(C)c1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000833450566 605205962 /nfs/dbraw/zinc/20/59/62/605205962.db2.gz VPQUFPJWVMKPDU-AWEZNQCLSA-N -2 3 367.423 2.287 20 0 FEADHL COc1ccc(NCc2ccc(NC(=O)[O-])nc2)cc1[N-]S(C)(=O)=O ZINC000829480315 605242647 /nfs/dbraw/zinc/24/26/47/605242647.db2.gz WAXBGCZQNLUDGU-UHFFFAOYSA-N -2 3 366.399 2.164 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](NC(=O)[O-])C[C@@H]3C)nc2)n1 ZINC000827555975 605492568 /nfs/dbraw/zinc/49/25/68/605492568.db2.gz BOBPDCJMZCVJLV-SMDDNHRTSA-N -2 3 357.414 2.432 20 0 FEADHL O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000739928066 605628886 /nfs/dbraw/zinc/62/88/86/605628886.db2.gz SLUXCNNENFLJKU-VIFPVBQESA-N -2 3 370.324 2.265 20 0 FEADHL O=C([O-])N[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000834152023 605807029 /nfs/dbraw/zinc/80/70/29/605807029.db2.gz WZTITQLXXJTMMY-SNVBAGLBSA-N -2 3 370.324 2.169 20 0 FEADHL CCCN(C(=O)c1nnc2ccccc2c1[O-])C1CCN(C(=O)[O-])CC1 ZINC000826887293 605816856 /nfs/dbraw/zinc/81/68/56/605816856.db2.gz PUHNFGKHGKMMBG-UHFFFAOYSA-N -2 3 358.398 2.330 20 0 FEADHL O=C([O-])NCc1ccc(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)o1 ZINC000834249468 605881580 /nfs/dbraw/zinc/88/15/80/605881580.db2.gz WKEBMRGIHBHTKL-UHFFFAOYSA-N -2 3 359.317 2.148 20 0 FEADHL O=C([O-])Nc1cnc(C(=O)[N-]c2c3nsnc3ccc2Cl)cn1 ZINC000834276882 606027699 /nfs/dbraw/zinc/02/76/99/606027699.db2.gz BDAHTFSVAUTVLE-UHFFFAOYSA-N -2 3 350.747 2.477 20 0 FEADHL O=S(=O)(C=Cc1ccc(F)cc1)[N-]c1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823557979 606211099 /nfs/dbraw/zinc/21/10/99/606211099.db2.gz XYFCESRUTPAVMH-BQYQJAHWSA-N -2 3 361.358 2.124 20 0 FEADHL CCC(CC)(CC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000820881922 606758202 /nfs/dbraw/zinc/75/82/02/606758202.db2.gz FPEBRNNVUXJSCI-UHFFFAOYSA-N -2 3 365.459 2.029 20 0 FEADHL CCC(CC)(CC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000820881922 606758204 /nfs/dbraw/zinc/75/82/04/606758204.db2.gz FPEBRNNVUXJSCI-UHFFFAOYSA-N -2 3 365.459 2.029 20 0 FEADHL O=S(=O)([N-][C@@H]1CC2CCC1CC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572487 607144971 /nfs/dbraw/zinc/14/49/71/607144971.db2.gz IAZRHGQZJARDRV-KJHLLKJSSA-N -2 3 369.397 2.002 20 0 FEADHL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000824377981 608107527 /nfs/dbraw/zinc/10/75/27/608107527.db2.gz UYGKBROQSGLALE-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000824377981 608107528 /nfs/dbraw/zinc/10/75/28/608107528.db2.gz UYGKBROQSGLALE-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(O)c1 ZINC000826291782 608885717 /nfs/dbraw/zinc/88/57/17/608885717.db2.gz VTWIJQNAIVALPG-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(O)c1 ZINC000826291782 608885719 /nfs/dbraw/zinc/88/57/19/608885719.db2.gz VTWIJQNAIVALPG-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL O=S(=O)([N-]c1ccnc(Cl)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826492785 609340499 /nfs/dbraw/zinc/34/04/99/609340499.db2.gz CVUUWDPHEIJUAD-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1ccnc(Cl)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826492785 609340501 /nfs/dbraw/zinc/34/05/01/609340501.db2.gz CVUUWDPHEIJUAD-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL Cc1ccc2cccc(S(=O)(=O)[N-][N-]C(=O)CCc3ccco3)c2n1 ZINC000084920417 670677929 /nfs/dbraw/zinc/67/79/29/670677929.db2.gz CWDYAYRBJMDQPG-UHFFFAOYSA-N -2 3 359.407 2.079 20 0 FEADHL O=C([O-])CC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000572608807 671023474 /nfs/dbraw/zinc/02/34/74/671023474.db2.gz UBMGYSYRMCXIQA-UHFFFAOYSA-N -2 3 365.183 2.028 20 0 FEADHL Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000572637143 671026409 /nfs/dbraw/zinc/02/64/09/671026409.db2.gz QWJCGPXRFINJCG-GDBMZVCRSA-N -2 3 365.407 2.485 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-])c1ccc(C)o1 ZINC000566176024 675190144 /nfs/dbraw/zinc/19/01/44/675190144.db2.gz FZPNJKBWDXSDBI-CYBMUJFWSA-N -2 3 353.396 2.261 20 0 FEADHL COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000577059426 671413838 /nfs/dbraw/zinc/41/38/38/671413838.db2.gz OXIZMSNJPZOUCQ-SNVBAGLBSA-N -2 3 370.452 2.322 20 0 FEADHL Cc1ccccc1C1(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000577845773 671623917 /nfs/dbraw/zinc/62/39/17/671623917.db2.gz FVJRYGSZCIUGPC-UHFFFAOYSA-N -2 3 352.437 2.160 20 0 FEADHL COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000579828546 671763640 /nfs/dbraw/zinc/76/36/40/671763640.db2.gz CDQKHFQUTJAHKH-UHFFFAOYSA-N -2 3 370.452 2.150 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000580269861 671793622 /nfs/dbraw/zinc/79/36/22/671793622.db2.gz GJUKKBNYHGUJSB-GFCCVEGCSA-N -2 3 360.844 2.463 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C(=O)[O-] ZINC000582168856 671974933 /nfs/dbraw/zinc/97/49/33/671974933.db2.gz YJRKLJUGAHILMB-VIFPVBQESA-N -2 3 354.197 2.038 20 0 FEADHL CC(C)(C)OCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000582723982 672028546 /nfs/dbraw/zinc/02/85/46/672028546.db2.gz VEADJTJVUXGFMZ-QMMMGPOBSA-N -2 3 355.865 2.338 20 0 FEADHL O=C(NN=c1[n-]c(-c2ccc(Cl)cc2)no1)c1cccc2n[n-]nc21 ZINC000182771115 672453375 /nfs/dbraw/zinc/45/33/75/672453375.db2.gz UVDGOGCTRVGIQY-UHFFFAOYSA-N -2 3 355.745 2.418 20 0 FEADHL C[C@@H](CSCC[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000592448536 672804181 /nfs/dbraw/zinc/80/41/81/672804181.db2.gz MDVQPYLNRZMVJT-QMMMGPOBSA-N -2 3 355.840 2.211 20 0 FEADHL O=C([O-])C[C@@H]1CSCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000700747591 673056386 /nfs/dbraw/zinc/05/63/86/673056386.db2.gz FRZRJXJPXVACCI-SNVBAGLBSA-N -2 3 360.229 2.187 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)[nH]nc2C(F)F)ccc1[O-] ZINC000542721743 673599490 /nfs/dbraw/zinc/59/94/90/673599490.db2.gz NEYNDEGNTFUKSD-UHFFFAOYSA-N -2 3 360.342 2.121 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000546536765 673802311 /nfs/dbraw/zinc/80/23/11/673802311.db2.gz ALJRCZOIZCCDSV-UHFFFAOYSA-N -3 3 363.391 2.375 20 0 FEADHL O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000547874309 673895636 /nfs/dbraw/zinc/89/56/36/673895636.db2.gz WXFOBEVWALAULP-KCJUWKMLSA-N -2 3 368.238 2.152 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](Cc1ccco1)C(=O)[O-] ZINC000548225541 673937918 /nfs/dbraw/zinc/93/79/18/673937918.db2.gz OFLYQSWCGIHMDM-CYBMUJFWSA-N -2 3 367.354 2.448 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000548537457 673967678 /nfs/dbraw/zinc/96/76/78/673967678.db2.gz XRZCQCPYIKTNGO-LBPRGKRZSA-N -2 3 372.830 2.167 20 0 FEADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548555268 673971057 /nfs/dbraw/zinc/97/10/57/673971057.db2.gz FHARXYDLGCJFCK-SECBINFHSA-N -2 3 365.249 2.156 20 0 FEADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)C(=O)[O-] ZINC000548594372 673978137 /nfs/dbraw/zinc/97/81/37/673978137.db2.gz FYCCHUXBSPOOHH-NXEZZACHSA-N -2 3 363.457 2.093 20 0 FEADHL O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000548768594 673993978 /nfs/dbraw/zinc/99/39/78/673993978.db2.gz MEBTWJMGBCOARH-JTQLQIEISA-N -2 3 366.361 2.412 20 0 FEADHL CC1CCC([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)(C(=O)[O-])CC1 ZINC000548771342 673994330 /nfs/dbraw/zinc/99/43/30/673994330.db2.gz WILKTWHGGIVUOT-UHFFFAOYSA-N -2 3 351.346 2.416 20 0 FEADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000566950829 675255167 /nfs/dbraw/zinc/25/51/67/675255167.db2.gz SVFIJFKKNGRVIF-UHFFFAOYSA-N -3 3 359.356 2.393 20 0 FEADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000819088316 675259379 /nfs/dbraw/zinc/25/93/79/675259379.db2.gz GHABKQNDQUKMMO-XCBNKYQSSA-N -2 3 355.243 2.412 20 0 FEADHL O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000622019526 676486175 /nfs/dbraw/zinc/48/61/75/676486175.db2.gz ZQHIGJAMBQVLIP-QMMMGPOBSA-N -2 3 356.304 2.255 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC[C@H]2CSc3ccccc3O2)c1 ZINC000646058093 677278201 /nfs/dbraw/zinc/27/82/01/677278201.db2.gz YYAJARZEEBBJOT-NSHDSACASA-N -2 3 369.420 2.200 20 0 FEADHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-])C1CC1 ZINC000656168116 677718771 /nfs/dbraw/zinc/71/87/71/677718771.db2.gz CXOUPWDTHALWJV-VXGBXAGGSA-N -2 3 365.810 2.026 20 0 FEADHL CO[C@H](CS(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCO2)C1CCCC1 ZINC000656615229 677782880 /nfs/dbraw/zinc/78/28/80/677782880.db2.gz BXRHOTCBIVHHBT-OAHLLOKOSA-N -2 3 371.411 2.060 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H]2COc3c2ccc(C)c3C)oc1C(=O)[O-] ZINC000663422119 678734666 /nfs/dbraw/zinc/73/46/66/678734666.db2.gz HSXYTEYDAULAIW-LBPRGKRZSA-N -2 3 351.380 2.315 20 0 FEADHL O=C([O-])c1cnc(C=Cc2cnc3ccc(Br)cn23)[n-]c1=O ZINC000670370150 679279777 /nfs/dbraw/zinc/27/97/77/679279777.db2.gz FPEKNNQHGPLSAM-IHWYPQMZSA-N -2 3 361.155 2.461 20 0 FEADHL COc1ccc(C2(C[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)CCC2)cc1 ZINC000833730899 680199346 /nfs/dbraw/zinc/19/93/46/680199346.db2.gz JNPVMCGAWJPAMP-UHFFFAOYSA-N -2 3 365.407 2.387 20 0 FEADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000837295020 680583493 /nfs/dbraw/zinc/58/34/93/680583493.db2.gz HNYDZFZLBYTLKJ-VXNVDRBHSA-N -2 3 353.227 2.168 20 0 FEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@@H]2CCCOC2)c1 ZINC000844893756 681090525 /nfs/dbraw/zinc/09/05/25/681090525.db2.gz KMJLQQDHUIZBMC-MRVPVSSYSA-N -2 3 354.211 2.149 20 0 FEADHL O=C(OCc1n[nH]c(=O)[n-]1)c1n[n-]c(-c2ccccc2)c1Br ZINC000774973715 681259223 /nfs/dbraw/zinc/25/92/23/681259223.db2.gz PRLZPBJYGGIYGS-UHFFFAOYSA-N -2 3 364.159 2.020 20 0 FEADHL COc1cc(S(=O)(=O)[N-]C2(C(F)F)CC2)c(Cl)cc1C(=O)[O-] ZINC000871960211 684894408 /nfs/dbraw/zinc/89/44/08/684894408.db2.gz VWEIGTAIEKTOBJ-UHFFFAOYSA-N -2 3 355.746 2.123 20 0 FEADHL O=C([O-])c1cnc([C@@H]2CCN(C(=O)Cc3ccc([O-])c(F)c3)C2)s1 ZINC000911037907 685154736 /nfs/dbraw/zinc/15/47/36/685154736.db2.gz UTFJNGLOQKQQTM-SNVBAGLBSA-N -2 3 350.371 2.245 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccncc2)c(F)cc1F ZINC000899944086 690445790 /nfs/dbraw/zinc/44/57/90/690445790.db2.gz IMDZREYBKGYQLD-GFCCVEGCSA-N -2 3 370.377 2.205 20 0 FEADHL O=C([O-])C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000899945634 690446455 /nfs/dbraw/zinc/44/64/55/690446455.db2.gz TXXVPOZMOZBSJS-KWQFWETISA-N -2 3 368.238 2.152 20 0 FEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C1CCCC1 ZINC000903025361 690833839 /nfs/dbraw/zinc/83/38/39/690833839.db2.gz CEQYITJVQJXNDB-LLVKDONJSA-N -2 3 366.361 2.412 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2n[n-]c3cc(C)n(C)c(=O)c32)sc1C ZINC000903160912 690858065 /nfs/dbraw/zinc/85/80/65/690858065.db2.gz AYNHXFRWMJIADL-UHFFFAOYSA-N -2 3 352.441 2.049 20 0 FEADHL O=C([O-])[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000906000690 691209885 /nfs/dbraw/zinc/20/98/85/691209885.db2.gz LLWWCSCMOOYTJC-KOLCDFICSA-N -2 3 368.238 2.294 20 0 FEADHL O=C([O-])[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000906001027 691210308 /nfs/dbraw/zinc/21/03/08/691210308.db2.gz MXZAURFKQJTZGA-KCJUWKMLSA-N -2 3 368.238 2.294 20 0 FEADHL O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000910237490 691904838 /nfs/dbraw/zinc/90/48/38/691904838.db2.gz UKEKUMAECPWPKI-RNCFNFMXSA-N -2 3 361.316 2.411 20 0 FEADHL CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2[O-])c1 ZINC000058457452 540843762 /nfs/dbraw/zinc/84/37/62/540843762.db2.gz SCRTYMMCOWGFAP-UHFFFAOYSA-N -2 3 364.423 2.381 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1CO ZINC000059371592 540864084 /nfs/dbraw/zinc/86/40/84/540864084.db2.gz YBRHVNXZYKJPFV-UHFFFAOYSA-N -2 3 365.407 2.385 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(C(=O)N=c2ncn(C(C)(C)C)[n-]2)cc1 ZINC000542457552 541409275 /nfs/dbraw/zinc/40/92/75/541409275.db2.gz PKSDOMRQCAVGEB-UHFFFAOYSA-N -2 3 365.459 2.437 20 0 FEADHL C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000077383527 542375317 /nfs/dbraw/zinc/37/53/17/542375317.db2.gz XDIUKLWDIBHFBR-QWRGUYRKSA-N -2 3 364.464 2.054 20 0 FEADHL C[C@H](CN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-])c1nnn[n-]1 ZINC000124574755 543830200 /nfs/dbraw/zinc/83/02/00/543830200.db2.gz UQXCRINXSFATME-CYBMUJFWSA-N -2 3 367.409 2.360 20 0 FEADHL C[C@H](CN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-])c1nn[n-]n1 ZINC000124574755 543830203 /nfs/dbraw/zinc/83/02/03/543830203.db2.gz UQXCRINXSFATME-CYBMUJFWSA-N -2 3 367.409 2.360 20 0 FEADHL O=C(NCc1ccc([O-])c(F)c1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000133126049 544257191 /nfs/dbraw/zinc/25/71/91/544257191.db2.gz XVTULSCVKRAZBC-OAHLLOKOSA-N -2 3 358.369 2.158 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)sc1Br ZINC000138542914 544396822 /nfs/dbraw/zinc/39/68/22/544396822.db2.gz BAYSLJIIJRBONA-UHFFFAOYSA-N -2 3 368.274 2.352 20 0 FEADHL CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000152906540 544709528 /nfs/dbraw/zinc/70/95/28/544709528.db2.gz KSRLWFMLXXQAOW-GWCFXTLKSA-N -2 3 364.464 2.054 20 0 FEADHL Cc1coc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cc12 ZINC000187078714 328001098 /nfs/dbraw/zinc/00/10/98/328001098.db2.gz HELPJLSSVGYMQR-UHFFFAOYSA-N -2 3 356.359 2.426 20 0 FEADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230099189 328486203 /nfs/dbraw/zinc/48/62/03/328486203.db2.gz ZRJKHNBIHSJRFA-ZETCQYMHSA-N -2 3 354.197 2.120 20 0 FEADHL O=C(NCc1ccc([O-])c(F)c1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000133126216 326603577 /nfs/dbraw/zinc/60/35/77/326603577.db2.gz XVTULSCVKRAZBC-HNNXBMFYSA-N -2 3 358.369 2.158 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]CCCCC(=O)[O-])s1 ZINC000274918464 329992613 /nfs/dbraw/zinc/99/26/13/329992613.db2.gz MJJINCCXPHMGOM-UHFFFAOYSA-N -2 3 356.263 2.352 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000274941240 329994963 /nfs/dbraw/zinc/99/49/63/329994963.db2.gz FBPRPGATGUQEIL-GXFFZTMASA-N -2 3 355.437 2.497 20 0 FEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cc(C)sc1C ZINC000274948149 329995764 /nfs/dbraw/zinc/99/57/64/329995764.db2.gz SDFZYGMDGAIWPL-UHFFFAOYSA-N -2 3 372.424 2.067 20 0 FEADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000275075637 330007860 /nfs/dbraw/zinc/00/78/60/330007860.db2.gz XPRLNUWQKGTEDI-VIFPVBQESA-N -2 3 363.457 2.093 20 0 FEADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)[N-]OCCC(F)(F)F ZINC000275252437 330026900 /nfs/dbraw/zinc/02/69/00/330026900.db2.gz WGGPKZDQDRXJDP-UHFFFAOYSA-N -2 3 370.331 2.485 20 0 FEADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000275309953 330033400 /nfs/dbraw/zinc/03/34/00/330033400.db2.gz REBFFRDELACSIR-SSDOTTSWSA-N -2 3 365.251 2.231 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)ccc1[O-] ZINC000481583608 561236684 /nfs/dbraw/zinc/23/66/84/561236684.db2.gz CWUSNVFJXOGNAM-UHFFFAOYSA-N -2 3 366.443 2.394 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1cnc2ccsc2c1 ZINC000481608598 561237265 /nfs/dbraw/zinc/23/72/65/561237265.db2.gz MDZFAYJEOGHWKD-UHFFFAOYSA-N -2 3 372.435 2.201 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1cnc2ccsc2c1 ZINC000481608598 561237266 /nfs/dbraw/zinc/23/72/66/561237266.db2.gz MDZFAYJEOGHWKD-UHFFFAOYSA-N -2 3 372.435 2.201 20 0 FEADHL COc1nc([N-]C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n[n-]1 ZINC000179360605 546939471 /nfs/dbraw/zinc/93/94/71/546939471.db2.gz ZGDHPQPZVLFWFD-UHFFFAOYSA-N -2 3 361.365 2.313 20 0 FEADHL CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000184863903 547889554 /nfs/dbraw/zinc/88/95/54/547889554.db2.gz WISZXXRQWALYAV-HNNXBMFYSA-N -2 3 366.414 2.105 20 0 FEADHL C[C@H](CN1C[C@@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000184958510 547907475 /nfs/dbraw/zinc/90/74/75/547907475.db2.gz GQFYCRXNBTUSTB-SDDRHHMPSA-N -2 3 360.501 2.091 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(F)c2)c(F)c1 ZINC000185003261 547915081 /nfs/dbraw/zinc/91/50/81/547915081.db2.gz IYNNWWJOKAVRPS-GXTWGEPZSA-N -2 3 353.346 2.497 20 0 FEADHL NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000485267415 561316151 /nfs/dbraw/zinc/31/61/51/561316151.db2.gz FUJUENYQXIXHQM-UHFFFAOYSA-N -2 3 372.761 2.077 20 0 FEADHL C[C@@H]1CCN(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)C1 ZINC000488314881 561387779 /nfs/dbraw/zinc/38/77/79/561387779.db2.gz DAVKSWYZVHSHQS-MRVPVSSYSA-N -2 3 368.333 2.282 20 0 FEADHL CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCOCC1 ZINC000273725054 550509248 /nfs/dbraw/zinc/50/92/48/550509248.db2.gz MVCQOLRPENKNQN-UHFFFAOYSA-N -2 3 363.382 2.148 20 0 FEADHL COC(=O)c1cnc(SC/C=C/CSc2ncc(C(=O)OC)[n-]2)[n-]1 ZINC000274942733 550566368 /nfs/dbraw/zinc/56/63/68/550566368.db2.gz RDFYVHWDHDWFKV-ONEGZZNKSA-N -2 3 368.440 2.147 20 0 FEADHL COC(=O)c1c[n-]c(SC/C=C/CSc2ncc(C(=O)OC)[n-]2)n1 ZINC000274942733 550566369 /nfs/dbraw/zinc/56/63/69/550566369.db2.gz RDFYVHWDHDWFKV-ONEGZZNKSA-N -2 3 368.440 2.147 20 0 FEADHL COC(=O)c1c[n-]c(SC/C=C/CSc2nc(C(=O)OC)c[n-]2)n1 ZINC000274942733 550566370 /nfs/dbraw/zinc/56/63/70/550566370.db2.gz RDFYVHWDHDWFKV-ONEGZZNKSA-N -2 3 368.440 2.147 20 0 FEADHL O=C(Nc1ncccc1[O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000279755545 550925413 /nfs/dbraw/zinc/92/54/13/550925413.db2.gz LNEZILYYIZKKKJ-TXEJJXNPSA-N -2 3 356.382 2.271 20 0 FEADHL CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2cncc([O-])c2)ccc1F ZINC000284211272 551505073 /nfs/dbraw/zinc/50/50/73/551505073.db2.gz CQPAHBOQVPVLBX-UHFFFAOYSA-N -2 3 367.402 2.255 20 0 FEADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000285292135 551733151 /nfs/dbraw/zinc/73/31/51/551733151.db2.gz XMNNOFVARAYXGL-JTQLQIEISA-N -2 3 366.208 2.120 20 0 FEADHL CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)o1 ZINC000291900203 552673081 /nfs/dbraw/zinc/67/30/81/552673081.db2.gz KTBDBTYRGJEHJE-UHFFFAOYSA-N -2 3 356.375 2.251 20 0 FEADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)o1 ZINC000291962068 552679128 /nfs/dbraw/zinc/67/91/28/552679128.db2.gz RSLIYQMXHOFYLB-UHFFFAOYSA-N -2 3 356.375 2.170 20 0 FEADHL CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)o1 ZINC000291963320 552679185 /nfs/dbraw/zinc/67/91/85/552679185.db2.gz RWQCZMSUIUWDHF-UHFFFAOYSA-N -2 3 358.441 2.482 20 0 FEADHL Cc1nc(C=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000504720048 561661669 /nfs/dbraw/zinc/66/16/69/561661669.db2.gz GVFKCWFTRPKTMH-BWNDKRECSA-N -3 3 358.350 2.140 20 0 FEADHL CC(=O)N(c1nc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cs1)C1CC1 ZINC000504730674 561661728 /nfs/dbraw/zinc/66/17/28/561661728.db2.gz NINSXLLZFHMZBU-ZZXKWVIFSA-N -2 3 374.422 2.260 20 0 FEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1 ZINC000325069807 553774969 /nfs/dbraw/zinc/77/49/69/553774969.db2.gz BWJOXUWTIKFIAK-UHFFFAOYSA-N -2 3 361.297 2.368 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(C(=O)[O-])c1 ZINC000507612401 561735218 /nfs/dbraw/zinc/73/52/18/561735218.db2.gz BNZCSVPUOBROBR-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1C(=O)[O-] ZINC000508241838 561756358 /nfs/dbraw/zinc/75/63/58/561756358.db2.gz MGWXLNVKNNSCLN-UHFFFAOYSA-N -2 3 353.371 2.434 20 0 FEADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)c1 ZINC000364668308 555368723 /nfs/dbraw/zinc/36/87/23/555368723.db2.gz WGOSDWWTULXKAB-NSHDSACASA-N -2 3 357.384 2.388 20 0 FEADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000516454065 562043427 /nfs/dbraw/zinc/04/34/27/562043427.db2.gz LEIBERKCCRXTCD-FKQCQYRASA-N -2 3 368.636 2.244 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000373088351 557625750 /nfs/dbraw/zinc/62/57/50/557625750.db2.gz PNIRRZWDWVHKNX-UHFFFAOYSA-N -2 3 358.379 2.279 20 0 FEADHL Cc1c(Br)ccc([O-])c1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000520728360 562162358 /nfs/dbraw/zinc/16/23/58/562162358.db2.gz LIBQROMMNDTDQM-VIFPVBQESA-N -2 3 350.234 2.384 20 0 FEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCCOC(C)C ZINC000383291404 558604963 /nfs/dbraw/zinc/60/49/63/558604963.db2.gz LOKMPQBEOOKNIH-UHFFFAOYSA-N -2 3 365.835 2.140 20 0 FEADHL NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000392612416 558618131 /nfs/dbraw/zinc/61/81/31/558618131.db2.gz MTGHFPCLYOKOBJ-UHFFFAOYSA-N -2 3 372.761 2.077 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(=O)[O-])c(F)c1 ZINC000404983672 558631735 /nfs/dbraw/zinc/63/17/35/558631735.db2.gz RVOHBBQPBBJNEH-HNNXBMFYSA-N -2 3 351.399 2.498 20 0 FEADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000408503499 558685139 /nfs/dbraw/zinc/68/51/39/558685139.db2.gz SOJZKGOUCMEHDS-IACUBPJLSA-N -2 3 362.455 2.369 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1)C(F)F ZINC000414336515 559157213 /nfs/dbraw/zinc/15/72/13/559157213.db2.gz ZLXWZERTDRBJQT-SECBINFHSA-N -2 3 357.762 2.125 20 0 FEADHL CC(C)(CCNC(=O)N=c1cc2ccc(Br)cn2[n-]1)C(=O)[O-] ZINC000424382945 559662453 /nfs/dbraw/zinc/66/24/53/559662453.db2.gz CHILGQQEHDKHKC-UHFFFAOYSA-N -2 3 369.219 2.719 20 0 FEADHL CC1(C)Cc2ccc(C(=O)N=c3[nH][n-]cc3Br)c([O-])c2O1 ZINC000436736458 559950364 /nfs/dbraw/zinc/95/03/64/559950364.db2.gz FXAAXROLLBCZTF-UHFFFAOYSA-N -2 3 352.188 2.844 20 0 FEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1C(=O)[O-] ZINC000436765394 559951246 /nfs/dbraw/zinc/95/12/46/559951246.db2.gz BALAEZZYPXLIGN-UHFFFAOYSA-N -3 3 365.363 2.206 20 0 FEADHL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c1 ZINC000436836322 559953644 /nfs/dbraw/zinc/95/36/44/559953644.db2.gz CSTKCASMTCSTOT-UHFFFAOYSA-N -2 3 361.379 2.384 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000438723118 559982864 /nfs/dbraw/zinc/98/28/64/559982864.db2.gz NLWUMHPZCJBGPE-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000444054026 560100290 /nfs/dbraw/zinc/10/02/90/560100290.db2.gz KRCQMWSFEDHEHU-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000444054026 560100291 /nfs/dbraw/zinc/10/02/91/560100291.db2.gz KRCQMWSFEDHEHU-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1F ZINC000446150588 560140721 /nfs/dbraw/zinc/14/07/21/560140721.db2.gz ZJICYUZAKXIFBB-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1O ZINC000462098895 560796993 /nfs/dbraw/zinc/79/69/93/560796993.db2.gz BLSQXFXNGAKZGX-UHFFFAOYSA-N -2 3 351.380 2.273 20 0 FEADHL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000467926933 560919801 /nfs/dbraw/zinc/91/98/01/560919801.db2.gz LGACOQBQECPDBD-UHFFFAOYSA-N -2 3 370.814 2.254 20 0 FEADHL C[C@@H]1CCCN1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000471970937 561015376 /nfs/dbraw/zinc/01/53/76/561015376.db2.gz QLSSVGUHDZCWEN-MRVPVSSYSA-N -2 3 368.333 2.424 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000530151518 562400191 /nfs/dbraw/zinc/40/01/91/562400191.db2.gz DFCVBCGGKVTZQU-JFUSQASVSA-N -2 3 370.839 2.111 20 0 FEADHL C[C@@]1(c2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc2)NC(=O)[N-]C1=O ZINC000531189817 562437634 /nfs/dbraw/zinc/43/76/34/562437634.db2.gz BKSKTEHMROEVHR-KRWDZBQOSA-N -2 3 359.769 2.353 20 0 FEADHL CCc1cccc(S(=O)(=O)[N-]c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)c1 ZINC000531434454 562446077 /nfs/dbraw/zinc/44/60/77/562446077.db2.gz ZQIZFKABHCDMBP-GOSISDBHSA-N -2 3 373.434 2.104 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1 ZINC000537036368 562584370 /nfs/dbraw/zinc/58/43/70/562584370.db2.gz YCYWUJVBMLGEIT-UHFFFAOYSA-N -2 3 351.380 2.132 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)nc2)c1 ZINC000537196875 562587520 /nfs/dbraw/zinc/58/75/20/562587520.db2.gz VNZMFEFLZRFUIP-UHFFFAOYSA-N -2 3 374.422 2.399 20 0 FEADHL Cc1cc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)no1 ZINC000545554424 562628776 /nfs/dbraw/zinc/62/87/76/562628776.db2.gz WWFJYUGSBBZPHR-UHFFFAOYSA-N -2 3 364.301 2.179 20 0 FEADHL CCOc1ccccc1C[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000545554888 562628850 /nfs/dbraw/zinc/62/88/50/562628850.db2.gz QFPHLJWESCJMHQ-UHFFFAOYSA-N -2 3 353.396 2.472 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1C ZINC000821911599 607255820 /nfs/dbraw/zinc/25/58/20/607255820.db2.gz ZXALPEIGZMYZDV-UHFFFAOYSA-N -2 3 351.413 2.046 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1C ZINC000821911599 607255821 /nfs/dbraw/zinc/25/58/21/607255821.db2.gz ZXALPEIGZMYZDV-UHFFFAOYSA-N -2 3 351.413 2.046 20 0 FEADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)sc1C ZINC000737226311 599030319 /nfs/dbraw/zinc/03/03/19/599030319.db2.gz UUIHLFVRWIWKCZ-UHFFFAOYSA-N -2 3 350.429 2.049 20 0 FEADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)sc1C ZINC000737226311 599030321 /nfs/dbraw/zinc/03/03/21/599030321.db2.gz UUIHLFVRWIWKCZ-UHFFFAOYSA-N -2 3 350.429 2.049 20 0 FEADHL C[C@@H]1CCc2c(sc(NC(=O)CC(C)(C)C(=O)[O-])c2-c2nnn[n-]2)C1 ZINC000736278962 599099635 /nfs/dbraw/zinc/09/96/35/599099635.db2.gz IFCLCYLAOGZWDQ-MRVPVSSYSA-N -2 3 363.443 2.492 20 0 FEADHL C[C@@H]1CCc2c(sc(NC(=O)CC(C)(C)C(=O)[O-])c2-c2nn[n-]n2)C1 ZINC000736278962 599099638 /nfs/dbraw/zinc/09/96/38/599099638.db2.gz IFCLCYLAOGZWDQ-MRVPVSSYSA-N -2 3 363.443 2.492 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1F)c1c(F)cccc1F ZINC000823583612 607328257 /nfs/dbraw/zinc/32/82/57/607328257.db2.gz VYNYHAOADOMLRP-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000820843210 607328348 /nfs/dbraw/zinc/32/83/48/607328348.db2.gz VGVRMBNBWVYWBO-UHFFFAOYSA-N -2 3 357.395 2.260 20 0 FEADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000820843210 607328349 /nfs/dbraw/zinc/32/83/49/607328349.db2.gz VGVRMBNBWVYWBO-UHFFFAOYSA-N -2 3 357.395 2.260 20 0 FEADHL O=C([O-])[C@H](CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000737805810 598617823 /nfs/dbraw/zinc/61/78/23/598617823.db2.gz ALDLCUUQPOBHTQ-GFCCVEGCSA-N -2 3 355.329 2.203 20 0 FEADHL O=C([O-])[C@H](CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000737805810 598617824 /nfs/dbraw/zinc/61/78/24/598617824.db2.gz ALDLCUUQPOBHTQ-GFCCVEGCSA-N -2 3 355.329 2.203 20 0 FEADHL O=S(=O)([N-]c1cccc(C(F)(F)F)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738341128 598638465 /nfs/dbraw/zinc/63/84/65/598638465.db2.gz FXYYGBVCAHLFJV-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL O=S(=O)([N-]c1cccc(C(F)(F)F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738341128 598638467 /nfs/dbraw/zinc/63/84/67/598638467.db2.gz FXYYGBVCAHLFJV-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2c2ccccc2)o1 ZINC000579829418 599774504 /nfs/dbraw/zinc/77/45/04/599774504.db2.gz JBLNETZJAJDUEJ-BBRMVZONSA-N -2 3 365.407 2.424 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c([O-])c1 ZINC000738260248 599815960 /nfs/dbraw/zinc/81/59/60/599815960.db2.gz LHNLLULCSBNQAN-INIZCTEOSA-N -2 3 370.405 2.153 20 0 FEADHL O=C([O-])[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cc(F)ccc1F ZINC000739368297 599990288 /nfs/dbraw/zinc/99/02/88/599990288.db2.gz LOHOYLGJVXLCFW-INIZCTEOSA-N -2 3 358.300 2.362 20 0 FEADHL Cc1cccc(C[C@H](CNC(=O)c2cc3c(cc2[O-])OCO3)C(=O)[O-])c1 ZINC000738712118 600104487 /nfs/dbraw/zinc/10/44/87/600104487.db2.gz UHCBTRNYMYUENS-CYBMUJFWSA-N -2 3 357.362 2.103 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc(C(=O)[O-])cc3)no2)cc1 ZINC000738164236 600111262 /nfs/dbraw/zinc/11/12/62/600111262.db2.gz OTRILMRZAWTICU-UHFFFAOYSA-N -2 3 359.363 2.473 20 0 FEADHL CCCn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1=O ZINC000737050097 600233143 /nfs/dbraw/zinc/23/31/43/600233143.db2.gz IOTLMJIQRNQCET-UHFFFAOYSA-N -2 3 372.349 2.036 20 0 FEADHL COc1ccc(N[C@H](C(=O)[O-])c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000738038889 600420514 /nfs/dbraw/zinc/42/05/14/600420514.db2.gz JUFOQUXNDHXSRG-HNNXBMFYSA-N -2 3 350.396 2.305 20 0 FEADHL Cc1nn(C)c2sc(C(=O)[N-]c3nnc(CCC(=O)[O-])s3)cc12 ZINC000738920336 600633362 /nfs/dbraw/zinc/63/33/62/600633362.db2.gz YNGYAUCOKOSRSM-UHFFFAOYSA-N -2 3 351.413 2.064 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)cn3c2)cc1C(=O)[O-] ZINC000738069504 600659408 /nfs/dbraw/zinc/65/94/08/600659408.db2.gz CMUTZJQFQFPBLC-UHFFFAOYSA-N -2 3 361.379 2.150 20 0 FEADHL C[C@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000563532371 600800161 /nfs/dbraw/zinc/80/01/61/600800161.db2.gz NZZVUIDYOSDBLN-JTQLQIEISA-N -2 3 367.427 2.246 20 0 FEADHL COc1ccc(C)cc1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000564923563 601215122 /nfs/dbraw/zinc/21/51/22/601215122.db2.gz RVYONSPHQNHGIW-UHFFFAOYSA-N -2 3 353.396 2.124 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCOCC1 ZINC000828994103 601239362 /nfs/dbraw/zinc/23/93/62/601239362.db2.gz BBFRILOSACVUQX-LLVKDONJSA-N -2 3 363.382 2.147 20 0 FEADHL CCC1CCC([N-]S(=O)(=O)c2cc(C(=O)OC)c(C)o2)(C(=O)[O-])CC1 ZINC000829111626 601260609 /nfs/dbraw/zinc/26/06/09/601260609.db2.gz AATCJQQQMRWMLW-UHFFFAOYSA-N -2 3 373.427 2.077 20 0 FEADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000831584407 601266082 /nfs/dbraw/zinc/26/60/82/601266082.db2.gz FAFJATISCAODHO-LBPRGKRZSA-N -2 3 356.227 2.152 20 0 FEADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc(Br)ccc2F)CCC1 ZINC000833205575 601444305 /nfs/dbraw/zinc/44/43/05/601444305.db2.gz GFIQFMHBBQWCOY-UHFFFAOYSA-N -2 3 366.208 2.264 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1F ZINC000547546878 601810089 /nfs/dbraw/zinc/81/00/89/601810089.db2.gz CGRDUHJNMQFDLA-CYBMUJFWSA-N -2 3 363.288 2.347 20 0 FEADHL O=C([O-])N1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000740515643 601984274 /nfs/dbraw/zinc/98/42/74/601984274.db2.gz JOWMIHIATPVPCQ-MRVPVSSYSA-N -2 3 368.242 2.199 20 0 FEADHL CSCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000169137696 602156180 /nfs/dbraw/zinc/15/61/80/602156180.db2.gz NFCRHASOFSQZGH-LURJTMIESA-N -2 3 372.262 2.160 20 0 FEADHL CCc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])n2)cc1 ZINC000830229364 602172824 /nfs/dbraw/zinc/17/28/24/602172824.db2.gz RDDGQHDCMFHNRD-MNOVXSKESA-N -2 3 367.427 2.000 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)C[C@@H](O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000833027694 602226951 /nfs/dbraw/zinc/22/69/51/602226951.db2.gz IVBWUQXEWJTZEX-YMTOWFKASA-N -2 3 371.386 2.216 20 0 FEADHL O=C([O-])N1CC[C@H](CC[N-]S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000740496050 602455871 /nfs/dbraw/zinc/45/58/71/602455871.db2.gz ADXZRIZILKANGX-VIFPVBQESA-N -2 3 350.799 2.147 20 0 FEADHL O=C([O-])N1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000740520590 602593320 /nfs/dbraw/zinc/59/33/20/602593320.db2.gz LLBNSIPATSTOCJ-SECBINFHSA-N -2 3 370.324 2.265 20 0 FEADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000740704223 602655008 /nfs/dbraw/zinc/65/50/08/602655008.db2.gz YROXVKUWDOMPEJ-UHFFFAOYSA-N -2 3 368.342 2.488 20 0 FEADHL O=C([N-]CC1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1)C(F)(F)F ZINC000809802485 674510722 /nfs/dbraw/zinc/51/07/22/674510722.db2.gz ZACCCPAOTWNKSM-UHFFFAOYSA-N -2 3 366.286 2.201 20 0 FEADHL O=C([O-])NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000832492284 603130476 /nfs/dbraw/zinc/13/04/76/603130476.db2.gz UKBYDRCAGVNOJC-XVKPBYJWSA-N -2 3 368.242 2.103 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3CCC[C@H]3CNC(=O)[O-])cc2)cc(=O)[n-]1 ZINC000830686259 603284711 /nfs/dbraw/zinc/28/47/11/603284711.db2.gz MPAOLLTYGKRFHW-AWEZNQCLSA-N -2 3 371.397 2.422 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)cc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000826492850 607817368 /nfs/dbraw/zinc/81/73/68/607817368.db2.gz HZXWAWRSSHGTFD-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=C([O-])N[C@@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)Cc1ccccc1 ZINC000832114273 603454991 /nfs/dbraw/zinc/45/49/91/603454991.db2.gz XAUTYTLADIRGKZ-SECBINFHSA-N -2 3 357.292 2.031 20 0 FEADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@H]3CC[C@@H](NC(=O)[O-])C3)c2)n1 ZINC000829893267 603473613 /nfs/dbraw/zinc/47/36/13/603473613.db2.gz FGIAODHJKDJPKQ-CHWSQXEVSA-N -2 3 357.366 2.499 20 0 FEADHL COc1ccc(CNC(=O)c2ccc([O-])c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826201450 607635711 /nfs/dbraw/zinc/63/57/11/607635711.db2.gz PTDYNYJLQRWSDW-UHFFFAOYSA-N -2 3 359.773 2.164 20 0 FEADHL COc1ccc(CNC(=O)c2ccc([O-])c(Cl)c2)cc1-c1nn[n-]n1 ZINC000826201450 607635712 /nfs/dbraw/zinc/63/57/12/607635712.db2.gz PTDYNYJLQRWSDW-UHFFFAOYSA-N -2 3 359.773 2.164 20 0 FEADHL C[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824697164 604295262 /nfs/dbraw/zinc/29/52/62/604295262.db2.gz ZSEFIAWHOUYEHS-YPMHNXCESA-N -2 3 358.402 2.221 20 0 FEADHL C[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824697164 604295263 /nfs/dbraw/zinc/29/52/63/604295263.db2.gz ZSEFIAWHOUYEHS-YPMHNXCESA-N -2 3 358.402 2.221 20 0 FEADHL O=S(=O)([N-]c1cccc2ccsc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493110 607685585 /nfs/dbraw/zinc/68/55/85/607685585.db2.gz UIKTYBCTYKTJRQ-UHFFFAOYSA-N -2 3 358.408 2.277 20 0 FEADHL C[C@]1([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCCC[C@H]1C(=O)[O-] ZINC000833568308 605245584 /nfs/dbraw/zinc/24/55/84/605245584.db2.gz CWAUALIQBHUWKN-XPTSAGLGSA-N -2 3 351.346 2.416 20 0 FEADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1)C(F)(F)F ZINC000645995719 605298476 /nfs/dbraw/zinc/29/84/76/605298476.db2.gz LRQFDOAFRDBJAU-SNVBAGLBSA-N -2 3 354.350 2.425 20 0 FEADHL O=C([O-])N1CC[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000834076671 605425929 /nfs/dbraw/zinc/42/59/29/605425929.db2.gz BPANCZKFHDZORC-MRVPVSSYSA-N -2 3 370.324 2.123 20 0 FEADHL O=C([O-])N[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000834147779 605854395 /nfs/dbraw/zinc/85/43/95/605854395.db2.gz SLYCJJXZFMLHIV-NSHDSACASA-N -2 3 372.219 2.000 20 0 FEADHL CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)C1CCN(C(=O)[O-])CC1 ZINC000833854424 605958211 /nfs/dbraw/zinc/95/82/11/605958211.db2.gz UEVUSYOOUCZKJW-UHFFFAOYSA-N -2 3 366.414 2.404 20 0 FEADHL Cc1ccc(C=CS(=O)(=O)[N-]c2cc(-c3nn[nH]n3)ccc2[O-])cc1 ZINC000822233661 606337608 /nfs/dbraw/zinc/33/76/08/606337608.db2.gz SNVZNWVTTPHPDZ-HJWRWDBZSA-N -2 3 357.395 2.293 20 0 FEADHL CC(C)CCCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820074049 606395014 /nfs/dbraw/zinc/39/50/14/606395014.db2.gz YYKZTPIAPUGWRP-UHFFFAOYSA-N -2 3 365.459 2.278 20 0 FEADHL CC(C)CCCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820074049 606395016 /nfs/dbraw/zinc/39/50/16/606395016.db2.gz YYKZTPIAPUGWRP-UHFFFAOYSA-N -2 3 365.459 2.278 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cc1 ZINC000821487462 606751321 /nfs/dbraw/zinc/75/13/21/606751321.db2.gz UNOSCDAOATWBTE-UHFFFAOYSA-N -2 3 372.454 2.296 20 0 FEADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc2ccccc2c1 ZINC000823589450 607027008 /nfs/dbraw/zinc/02/70/08/607027008.db2.gz ZQXHRYYCIUPOPE-UHFFFAOYSA-N -2 3 358.408 2.277 20 0 FEADHL Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1C(=O)[O-] ZINC000822242287 607111088 /nfs/dbraw/zinc/11/10/88/607111088.db2.gz HAFNECHYKWAOBH-NSHDSACASA-N -2 3 367.365 2.279 20 0 FEADHL Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1C(=O)[O-] ZINC000822242287 607111089 /nfs/dbraw/zinc/11/10/89/607111089.db2.gz HAFNECHYKWAOBH-NSHDSACASA-N -2 3 367.365 2.279 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c(Cl)cc1F ZINC000822211653 607152539 /nfs/dbraw/zinc/15/25/39/607152539.db2.gz JFJKNMUHJYOVJZ-UHFFFAOYSA-N -2 3 368.781 2.163 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c(Cl)cc1F ZINC000822211653 607152540 /nfs/dbraw/zinc/15/25/40/607152540.db2.gz JFJKNMUHJYOVJZ-UHFFFAOYSA-N -2 3 368.781 2.163 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)cc1O)c1cccc(-c2nnn[n-]2)c1 ZINC000826492850 607817367 /nfs/dbraw/zinc/81/73/67/607817367.db2.gz HZXWAWRSSHGTFD-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=S(=O)([N-]c1cncc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826492949 607983174 /nfs/dbraw/zinc/98/31/74/607983174.db2.gz MSYDEQBJZRYRTM-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825052137 609146371 /nfs/dbraw/zinc/14/63/71/609146371.db2.gz UYFHJCDFENAJMT-IUCAKERBSA-N -2 3 371.850 2.007 20 0 FEADHL CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825052137 609146369 /nfs/dbraw/zinc/14/63/69/609146369.db2.gz UYFHJCDFENAJMT-IUCAKERBSA-N -2 3 371.850 2.007 20 0 FEADHL CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000825971517 609268676 /nfs/dbraw/zinc/26/86/76/609268676.db2.gz JXIFQQLYQAUEED-UHFFFAOYSA-N -2 3 363.299 2.262 20 0 FEADHL CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000825971517 609268677 /nfs/dbraw/zinc/26/86/77/609268677.db2.gz JXIFQQLYQAUEED-UHFFFAOYSA-N -2 3 363.299 2.262 20 0 FEADHL CC(=O)c1ccc([O-])c(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000824024781 609350138 /nfs/dbraw/zinc/35/01/38/609350138.db2.gz PHTPUUGIILMZSY-UHFFFAOYSA-N -2 3 359.292 2.305 20 0 FEADHL CC(=O)c1ccc([O-])c(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000824024781 609350140 /nfs/dbraw/zinc/35/01/40/609350140.db2.gz PHTPUUGIILMZSY-UHFFFAOYSA-N -2 3 359.292 2.305 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])Oc1ccccc1C ZINC000564327454 674996318 /nfs/dbraw/zinc/99/63/18/674996318.db2.gz SFLMPQWUZWHVEI-NSHDSACASA-N -2 3 370.452 2.286 20 0 FEADHL COc1ccc([C@H](OC)[C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000571675476 670910555 /nfs/dbraw/zinc/91/05/55/670910555.db2.gz WGCWRECPMGAMGG-MEBBXXQBSA-N -2 3 369.395 2.041 20 0 FEADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccccc2C(=O)[O-])o1 ZINC000566177286 675190423 /nfs/dbraw/zinc/19/04/23/675190423.db2.gz OHOBODWQWXYHNM-ZDUSSCGKSA-N -2 3 353.396 2.206 20 0 FEADHL CCOCCC1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCCC1 ZINC000576582684 671379442 /nfs/dbraw/zinc/37/94/42/671379442.db2.gz ZEJMQWZJTMBHLC-UHFFFAOYSA-N -2 3 362.473 2.107 20 0 FEADHL Cc1oc(C)c(S(=O)(=O)[N-][C@@H]2COc3ccc(C)cc32)c1C(=O)[O-] ZINC000576820173 671397023 /nfs/dbraw/zinc/39/70/23/671397023.db2.gz PRIZHTKBVMAOAV-GFCCVEGCSA-N -2 3 351.380 2.315 20 0 FEADHL COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000576820708 671397319 /nfs/dbraw/zinc/39/73/19/671397319.db2.gz WOHCQUPPFRHJAG-UHFFFAOYSA-N -2 3 353.396 2.286 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-])c(F)cc1Br ZINC000578845934 671693508 /nfs/dbraw/zinc/69/35/08/671693508.db2.gz RCFOSCIFVWPAOS-HTQZYQBOSA-N -2 3 368.224 2.284 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C1CCC1 ZINC000579069813 671709993 /nfs/dbraw/zinc/70/99/93/671709993.db2.gz RKKFTWAOWBPJHN-LLVKDONJSA-N -2 3 371.308 2.256 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-])s1 ZINC000580623934 671821640 /nfs/dbraw/zinc/82/16/40/671821640.db2.gz CHJTXDUGGIRSTL-RNFRBKRXSA-N -2 3 356.263 2.207 20 0 FEADHL Cc1ccc(OCCCC[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000581546347 671910193 /nfs/dbraw/zinc/91/01/93/671910193.db2.gz IWZSYZNWHRQVQZ-UHFFFAOYSA-N -2 3 370.452 2.287 20 0 FEADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000581760935 671935035 /nfs/dbraw/zinc/93/50/35/671935035.db2.gz LCKHZCUAUWPXKL-WCBMZHEXSA-N -2 3 354.350 2.268 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000582336699 671990575 /nfs/dbraw/zinc/99/05/75/671990575.db2.gz TXAOORYGHJQVCZ-AWEZNQCLSA-N -2 3 354.453 2.427 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H]1CCCc2ccccc21 ZINC000582843488 672039113 /nfs/dbraw/zinc/03/91/13/672039113.db2.gz GTCDYNPFUIWEFG-LLVKDONJSA-N -2 3 352.437 2.240 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc([S@@](C)=O)cc2)oc1C(=O)[O-] ZINC000596090574 673357625 /nfs/dbraw/zinc/35/76/25/673357625.db2.gz ODPKMNWSQTUUHQ-DJNLSKAYSA-N -2 3 371.436 2.063 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1F ZINC000540498667 673543605 /nfs/dbraw/zinc/54/36/05/673543605.db2.gz IMWOXMMVEVYQKF-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL O=C([O-])Cc1ccccc1C[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000547574011 673866487 /nfs/dbraw/zinc/86/64/87/673866487.db2.gz DZTNTJBEIULALD-UHFFFAOYSA-N -2 3 359.325 2.210 20 0 FEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1F ZINC000547583318 673868354 /nfs/dbraw/zinc/86/83/54/673868354.db2.gz UAKWGKWELWUHNI-SNVBAGLBSA-N -2 3 374.371 2.290 20 0 FEADHL O=C([O-])c1cc([N-]S(=O)(=O)Cc2ccon2)cc(C(F)(F)F)c1 ZINC000547868612 673894653 /nfs/dbraw/zinc/89/46/53/673894653.db2.gz XNNUOZFUQOMESP-UHFFFAOYSA-N -2 3 350.274 2.334 20 0 FEADHL O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000548206754 673934423 /nfs/dbraw/zinc/93/44/23/673934423.db2.gz CPVILFKFTKECQF-KWQFWETISA-N -2 3 368.238 2.152 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cn1 ZINC000548220346 673936917 /nfs/dbraw/zinc/93/69/17/673936917.db2.gz CIINEJCNJHKCAX-UHFFFAOYSA-N -2 3 370.770 2.021 20 0 FEADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-])C1CC1 ZINC000548991316 674010266 /nfs/dbraw/zinc/01/02/66/674010266.db2.gz XQTAJRJNZSGDOL-LHLIQPBNSA-N -2 3 368.274 2.288 20 0 FEADHL COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000567046041 675262865 /nfs/dbraw/zinc/26/28/65/675262865.db2.gz OPIBJPIYZIMKRQ-LLVKDONJSA-N -2 3 367.423 2.452 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2CCOc3ccccc32)cc1C(=O)[O-] ZINC000567805495 675325003 /nfs/dbraw/zinc/32/50/03/675325003.db2.gz HIJHRDPIXJXMPY-LLVKDONJSA-N -2 3 351.380 2.131 20 0 FEADHL COC[C@](C)([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000568387310 675370193 /nfs/dbraw/zinc/37/01/93/675370193.db2.gz YPKWNFYDASWMKT-AWEZNQCLSA-N -2 3 361.803 2.163 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccnc2C)cc1F ZINC000568428607 675373372 /nfs/dbraw/zinc/37/33/72/675373372.db2.gz LEFUZYRMXMGVKD-UHFFFAOYSA-N -2 3 373.431 2.092 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1-c1nn[n-]n1 ZINC000826299861 675685709 /nfs/dbraw/zinc/68/57/09/675685709.db2.gz YUZYGHZYSGAKNW-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1ccc2ncccc2c1 ZINC000826492821 675689452 /nfs/dbraw/zinc/68/94/52/675689452.db2.gz GGQWQVXYMFYQIN-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000621986684 676484284 /nfs/dbraw/zinc/48/42/84/676484284.db2.gz WVSROWOCZPBWTL-UHFFFAOYSA-N -2 3 356.304 2.255 20 0 FEADHL CC(C)OCCS(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-] ZINC000629313411 676845122 /nfs/dbraw/zinc/84/51/22/676845122.db2.gz OUHNIWVWSYEJKK-UHFFFAOYSA-N -2 3 366.233 2.314 20 0 FEADHL CCOCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761238769 680716365 /nfs/dbraw/zinc/71/63/65/680716365.db2.gz WZSPZCCFEIKANE-UHFFFAOYSA-N -2 3 356.227 2.397 20 0 FEADHL Cc1ccc(OCC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1 ZINC000761258445 680717086 /nfs/dbraw/zinc/71/70/86/680717086.db2.gz GEBIROIVIJEJLH-UHFFFAOYSA-N -2 3 371.361 2.329 20 0 FEADHL Cc1nc(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)c(-c2ccccc2)s1 ZINC000663292147 678716473 /nfs/dbraw/zinc/71/64/73/678716473.db2.gz USZUVWRLSJLLGN-UHFFFAOYSA-N -2 3 352.437 2.262 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C)COCc2ccccc2)oc1C(=O)[O-] ZINC000663422820 678735414 /nfs/dbraw/zinc/73/54/14/678735414.db2.gz NUYGQOAFGNCAOS-GFCCVEGCSA-N -2 3 367.423 2.417 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(C)c2)oc1C(=O)[O-] ZINC000663425592 678736161 /nfs/dbraw/zinc/73/61/61/678736161.db2.gz ZASYCVUIOCBAIK-LBPRGKRZSA-N -2 3 353.396 2.340 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Br)nc2)c1 ZINC000765140726 680832515 /nfs/dbraw/zinc/83/25/15/680832515.db2.gz AWWSRVYUQAXPGI-UHFFFAOYSA-N -3 3 373.184 2.049 20 0 FEADHL Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(Cc3c(F)ccc([O-])c3F)C2)cn1 ZINC000874048085 685279162 /nfs/dbraw/zinc/27/91/62/685279162.db2.gz IUEVRCQXGFHZPY-GHMZBOCLSA-N -2 3 351.353 2.094 20 0 FEADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)(CC(=O)[O-])C1 ZINC000844790514 681082606 /nfs/dbraw/zinc/08/26/06/681082606.db2.gz YRBWLVLDQILWFH-LKFCYVNXSA-N -2 3 364.826 2.434 20 0 FEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C(=O)[O-])C1(C)CCCCC1 ZINC000780285160 681811300 /nfs/dbraw/zinc/81/13/00/681811300.db2.gz GBGMBMWURGWWNJ-LLVKDONJSA-N -2 3 363.867 2.084 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)ccc1F ZINC000780414283 681825458 /nfs/dbraw/zinc/82/54/58/681825458.db2.gz AEWZNUKFBKGHQF-UHFFFAOYSA-N -2 3 367.354 2.102 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000790591101 682686789 /nfs/dbraw/zinc/68/67/89/682686789.db2.gz RJZLFQVTPCIVNS-SSDOTTSWSA-N -2 3 370.652 2.492 20 0 FEADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)OC ZINC000793346510 682883519 /nfs/dbraw/zinc/88/35/19/682883519.db2.gz RFSLBBCBTGBUFW-UHFFFAOYSA-N -2 3 351.371 2.147 20 0 FEADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000926484581 683131780 /nfs/dbraw/zinc/13/17/80/683131780.db2.gz AGESUYNIGGAGJU-JTQLQIEISA-N -2 3 352.437 2.342 20 0 FEADHL O=C([O-])CC1([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCC1 ZINC000899555900 690377852 /nfs/dbraw/zinc/37/78/52/690377852.db2.gz AUOWLFYIEATLCJ-UHFFFAOYSA-N -2 3 371.308 2.400 20 0 FEADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000906987390 691361834 /nfs/dbraw/zinc/36/18/34/691361834.db2.gz PUBFQYFVDSQSAM-LLVKDONJSA-N -2 3 353.318 2.013 20 0 FEADHL C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1(C(=O)[O-])CCOCC1 ZINC000907916314 691582477 /nfs/dbraw/zinc/58/24/77/691582477.db2.gz TWHFBWGOIIXCKV-GFCCVEGCSA-N -2 3 353.390 2.240 20 0 FEADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000230090868 548758099 /nfs/dbraw/zinc/75/80/99/548758099.db2.gz YGDDNHNNHKMBNW-SNVBAGLBSA-N -2 3 368.224 2.366 20 0 FEADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000024432812 539731454 /nfs/dbraw/zinc/73/14/54/539731454.db2.gz NGYRXXBQDHMTPS-UHFFFAOYSA-N -2 3 352.343 2.283 20 0 FEADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000059986584 540867524 /nfs/dbraw/zinc/86/75/24/540867524.db2.gz RYLMTOXTOYUJLC-UHFFFAOYSA-N -2 3 372.402 2.280 20 0 FEADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnc3ccccc3c2[O-])c1 ZINC000059986584 540867527 /nfs/dbraw/zinc/86/75/27/540867527.db2.gz RYLMTOXTOYUJLC-UHFFFAOYSA-N -2 3 372.402 2.280 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551245278 674134013 /nfs/dbraw/zinc/13/40/13/674134013.db2.gz CPVHXLLYYDYEFB-ZCFIWIBFSA-N -2 3 356.625 2.102 20 0 FEADHL Cc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)C[C@@H]3CCCCO3)c2)n1 ZINC000110097416 543348628 /nfs/dbraw/zinc/34/86/28/543348628.db2.gz NHKIPWANTHHEQR-HNNXBMFYSA-N -2 3 363.439 2.056 20 0 FEADHL CC1(C)CC[C@]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)(C(=O)[O-])C1 ZINC000551997247 674180011 /nfs/dbraw/zinc/18/00/11/674180011.db2.gz YECNCXCYLKBZJW-CYBMUJFWSA-N -2 3 366.361 2.412 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1ccc(Cl)cc1F ZINC000122942771 543733182 /nfs/dbraw/zinc/73/31/82/543733182.db2.gz CRPLQJVDZZEZPR-UHFFFAOYSA-N -2 3 367.793 2.384 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1ccc(Cl)cc1F ZINC000122942771 543733185 /nfs/dbraw/zinc/73/31/85/543733185.db2.gz CRPLQJVDZZEZPR-UHFFFAOYSA-N -2 3 367.793 2.384 20 0 FEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cc(F)cc(Cl)c3)ccc21 ZINC000150752268 544466806 /nfs/dbraw/zinc/46/68/06/544466806.db2.gz NBEIKHOGQSLYGG-UHFFFAOYSA-N -2 3 354.746 2.164 20 0 FEADHL CN(CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000013310508 324375004 /nfs/dbraw/zinc/37/50/04/324375004.db2.gz YJURNTDUITZSBC-UHFFFAOYSA-N -2 3 354.453 2.251 20 0 FEADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235416815 328488580 /nfs/dbraw/zinc/48/85/80/328488580.db2.gz JGDCKFHKCWXBGA-ZCFIWIBFSA-N -2 3 356.625 2.244 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)Nc2cccc(CCC(=O)[O-])c2)c([O-])c1 ZINC000263428298 328939154 /nfs/dbraw/zinc/93/91/54/328939154.db2.gz MQMRBDXSUOGNQD-UHFFFAOYSA-N -2 3 370.405 2.476 20 0 FEADHL O=C([O-])c1ccc(Br)cc1[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000275152507 330015929 /nfs/dbraw/zinc/01/59/29/330015929.db2.gz YWVROCSEMGVTOM-SECBINFHSA-N -2 3 364.217 2.068 20 0 FEADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cccc(C)c2F)(C(=O)[O-])C1(C)C ZINC000275586121 330066767 /nfs/dbraw/zinc/06/67/67/330066767.db2.gz HSLCVYHRYDTBOF-WBMJQRKESA-N -2 3 359.419 2.071 20 0 FEADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000156266049 545612837 /nfs/dbraw/zinc/61/28/37/545612837.db2.gz URCRCFPEWCQQTM-UHFFFAOYSA-N -2 3 352.387 2.223 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1ccc2ncsc2c1 ZINC000479128083 561182051 /nfs/dbraw/zinc/18/20/51/561182051.db2.gz JHTWLZLEIRFZOP-UHFFFAOYSA-N -2 3 358.408 2.277 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1ccc2ncsc2c1 ZINC000479128083 561182052 /nfs/dbraw/zinc/18/20/52/561182052.db2.gz JHTWLZLEIRFZOP-UHFFFAOYSA-N -2 3 358.408 2.277 20 0 FEADHL CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1O ZINC000479571506 561192274 /nfs/dbraw/zinc/19/22/74/561192274.db2.gz ZQXWJWWZMADSLG-UHFFFAOYSA-N -2 3 374.418 2.374 20 0 FEADHL O=S(=O)([N-]Cc1ncccc1[O-])c1ccc(F)cc1C(F)(F)F ZINC000480730774 561215516 /nfs/dbraw/zinc/21/55/16/561215516.db2.gz PHVSHXXUHCPTHC-UHFFFAOYSA-N -2 3 350.293 2.424 20 0 FEADHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000485737071 561326985 /nfs/dbraw/zinc/32/69/85/561326985.db2.gz WBBUBNIYOMYTPR-UHFFFAOYSA-N -2 3 354.409 2.379 20 0 FEADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000274925465 550565377 /nfs/dbraw/zinc/56/53/77/550565377.db2.gz BNRWJVHRBRIMGK-SSDOTTSWSA-N -2 3 354.197 2.120 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCSCC(=O)[O-])c1Cl ZINC000274939047 550566213 /nfs/dbraw/zinc/56/62/13/550566213.db2.gz DVAJTWOALAYKSQ-UHFFFAOYSA-N -2 3 358.268 2.398 20 0 FEADHL COC(=O)c1sc(S(=O)(=O)[N-]CCCCC(=O)[O-])c(C)c1Cl ZINC000278795167 550822777 /nfs/dbraw/zinc/82/27/77/550822777.db2.gz VMURREGYODEJHX-UHFFFAOYSA-N -2 3 369.848 2.030 20 0 FEADHL Cc1cccc(F)c1S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000285276376 551730734 /nfs/dbraw/zinc/73/07/34/551730734.db2.gz WICJRWLXTDJYRQ-VIFPVBQESA-N -2 3 357.325 2.456 20 0 FEADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000296866945 553222598 /nfs/dbraw/zinc/22/25/98/553222598.db2.gz DQJBVZAOIMNRLI-JTQLQIEISA-N -2 3 363.819 2.048 20 0 FEADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1 ZINC000326694968 553782728 /nfs/dbraw/zinc/78/27/28/553782728.db2.gz SOYSXQZIOKVIOA-UHFFFAOYSA-N -2 3 365.407 2.140 20 0 FEADHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCCCC1 ZINC000327270182 553787467 /nfs/dbraw/zinc/78/74/67/553787467.db2.gz RSBGTUBAZDZUAN-UHFFFAOYSA-N -2 3 372.399 2.059 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c(F)c1 ZINC000327475006 553789205 /nfs/dbraw/zinc/78/92/05/553789205.db2.gz APASAHZZWBPOOE-UHFFFAOYSA-N -2 3 367.354 2.486 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])cc1 ZINC000327812593 553791548 /nfs/dbraw/zinc/79/15/48/553791548.db2.gz KSPNZOZHOHNQJK-OAHLLOKOSA-N -2 3 368.455 2.212 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)c[nH]1 ZINC000509379414 561796940 /nfs/dbraw/zinc/79/69/40/561796940.db2.gz QQEJXWPULYWTAA-UHFFFAOYSA-N -2 3 350.274 2.254 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)s2)Cc2ccccc2C1 ZINC000555858896 674379069 /nfs/dbraw/zinc/37/90/69/674379069.db2.gz OZSJDEHRTDTLSU-UHFFFAOYSA-N -2 3 357.840 2.302 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)C(C1CCC1)C1CCC1 ZINC000518580825 562114722 /nfs/dbraw/zinc/11/47/22/562114722.db2.gz YCXQRJMNYSZQCP-HNNXBMFYSA-N -2 3 356.419 2.169 20 0 FEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(-c4cnco4)cc3)ccc21 ZINC000520238882 562151455 /nfs/dbraw/zinc/15/14/55/562151455.db2.gz DHLOYMOQZVYZDT-UHFFFAOYSA-N -2 3 369.358 2.026 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000392101030 558616071 /nfs/dbraw/zinc/61/60/71/558616071.db2.gz PELHTYTZIAZEKB-UHFFFAOYSA-N -2 3 353.327 2.111 20 0 FEADHL CC(=O)Nc1ccc(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC000393052343 558620419 /nfs/dbraw/zinc/62/04/19/558620419.db2.gz OYLJNGCUXSUAOI-GXTWGEPZSA-N -2 3 372.418 2.096 20 0 FEADHL CCN(CCOCCNC(=O)c1ccccc1[O-])C(=O)c1ccccc1[O-] ZINC000412425456 559034868 /nfs/dbraw/zinc/03/48/68/559034868.db2.gz ZHNHGLPRKBRURZ-UHFFFAOYSA-N -2 3 372.421 2.007 20 0 FEADHL CCCc1ncc(C[N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)o1 ZINC000414349001 559157787 /nfs/dbraw/zinc/15/77/87/559157787.db2.gz XRMOXWWGDHPDGP-UHFFFAOYSA-N -2 3 352.412 2.421 20 0 FEADHL C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000416506180 559318483 /nfs/dbraw/zinc/31/84/83/559318483.db2.gz HJQDWBQTXACIDG-JTQLQIEISA-N -2 3 366.480 2.300 20 0 FEADHL O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425310511 559695978 /nfs/dbraw/zinc/69/59/78/559695978.db2.gz XIECKFVNBHICEP-SECBINFHSA-N -2 3 368.187 2.263 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1C(=O)[O-] ZINC000432644936 559862310 /nfs/dbraw/zinc/86/23/10/559862310.db2.gz VBGPCRJAVOKIKY-UHFFFAOYSA-N -2 3 360.391 2.013 20 0 FEADHL COc1cc(NC(=O)c2ccc(F)cc2[O-])ccc1[N-]S(C)(=O)=O ZINC000436759204 559951323 /nfs/dbraw/zinc/95/13/23/559951323.db2.gz UVOGRCPNNQJMLJ-UHFFFAOYSA-N -2 3 354.359 2.164 20 0 FEADHL O=S(=O)([N-]c1cc([O-])cc(Br)c1)c1cnc2n1CCC2 ZINC000451101895 560287357 /nfs/dbraw/zinc/28/73/57/560287357.db2.gz APCGSTBKJSIQPG-UHFFFAOYSA-N -2 3 358.217 2.098 20 0 FEADHL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000460822575 560752666 /nfs/dbraw/zinc/75/26/66/560752666.db2.gz GNCUYAMHXMVQBE-UHFFFAOYSA-N -2 3 362.407 2.477 20 0 FEADHL COc1cc(OC)c(OC)cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000470263973 560977704 /nfs/dbraw/zinc/97/77/04/560977704.db2.gz NPKASHBAOYJXMG-AATRIKPKSA-N -2 3 360.366 2.314 20 0 FEADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000530957518 562429997 /nfs/dbraw/zinc/42/99/97/562429997.db2.gz LVFYYTZQUJKKJC-UHFFFAOYSA-N -4 3 365.363 2.152 20 0 FEADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1C ZINC000822194238 599233868 /nfs/dbraw/zinc/23/38/68/599233868.db2.gz OMTJCXGJJGNSEC-UHFFFAOYSA-N -2 3 358.427 2.296 20 0 FEADHL CCCC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736418324 598414564 /nfs/dbraw/zinc/41/45/64/598414564.db2.gz CLVXIMDZQTZSNB-CLFYSBASSA-N -2 3 369.834 2.071 20 0 FEADHL CCCC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736418324 598414566 /nfs/dbraw/zinc/41/45/66/598414566.db2.gz CLVXIMDZQTZSNB-CLFYSBASSA-N -2 3 369.834 2.071 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(Cl)c1 ZINC000738344829 598638394 /nfs/dbraw/zinc/63/83/94/598638394.db2.gz JJMNPIMPMZHIEN-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(OC(F)F)cc2)o1 ZINC000391755331 599766604 /nfs/dbraw/zinc/76/66/04/599766604.db2.gz BLAHASRBXIQNMW-UHFFFAOYSA-N -2 3 361.322 2.100 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCN(C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000738828736 599861304 /nfs/dbraw/zinc/86/13/04/599861304.db2.gz CIHUYUCMLKVWEC-CQSZACIVSA-N -2 3 371.397 2.422 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCCCC1 ZINC000739518955 600444051 /nfs/dbraw/zinc/44/40/51/600444051.db2.gz AJJZSAVAFKOYSQ-UHFFFAOYSA-N -2 3 353.227 2.454 20 0 FEADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)c1 ZINC000809226044 674488364 /nfs/dbraw/zinc/48/83/64/674488364.db2.gz KTCUYCOMDTYJDC-SECBINFHSA-N -2 3 369.773 2.177 20 0 FEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000738277097 600679328 /nfs/dbraw/zinc/67/93/28/600679328.db2.gz DYBRFTKSXWERFL-UHFFFAOYSA-N -3 3 371.317 2.470 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000832699297 600893518 /nfs/dbraw/zinc/89/35/18/600893518.db2.gz DHZUYTIKLAJMAS-AWEZNQCLSA-N -2 3 367.354 2.180 20 0 FEADHL CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000579947291 600990086 /nfs/dbraw/zinc/99/00/86/600990086.db2.gz FHPKYGRJEOABDZ-UHFFFAOYSA-N -2 3 361.416 2.157 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)c1F ZINC000392289057 601231581 /nfs/dbraw/zinc/23/15/81/601231581.db2.gz HYROWUGDPMLZKB-UHFFFAOYSA-N -2 3 372.305 2.050 20 0 FEADHL Cc1sc(C(=O)[O-])cc1COC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000833032826 601715104 /nfs/dbraw/zinc/71/51/04/601715104.db2.gz KGWIQNOTSFXQMS-UHFFFAOYSA-N -2 3 369.420 2.483 20 0 FEADHL COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1nc(C)cc(=O)[n-]1)CC2 ZINC000832103626 602311079 /nfs/dbraw/zinc/31/10/79/602311079.db2.gz UWTBCJWWEAWALJ-CQSZACIVSA-N -2 3 373.409 2.082 20 0 FEADHL O=C([O-])N1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000740516177 602316505 /nfs/dbraw/zinc/31/65/05/602316505.db2.gz MJJIEABUMANMDL-SNVBAGLBSA-N -2 3 350.799 2.290 20 0 FEADHL O=C([O-])NCC1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCC1 ZINC000740620413 602564764 /nfs/dbraw/zinc/56/47/64/602564764.db2.gz OWBCTOPLZLSRRN-UHFFFAOYSA-N -2 3 350.799 2.338 20 0 FEADHL O=C([O-])N1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000740521073 602593277 /nfs/dbraw/zinc/59/32/77/602593277.db2.gz PREUTHLQRVVCHV-SECBINFHSA-N -2 3 353.227 2.414 20 0 FEADHL O=C([O-])N1CCCC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000740517076 602880350 /nfs/dbraw/zinc/88/03/50/602880350.db2.gz CMVOQAGFDDARPP-MRVPVSSYSA-N -2 3 368.242 2.199 20 0 FEADHL O=C([O-])NC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000832514462 603137842 /nfs/dbraw/zinc/13/78/42/603137842.db2.gz NCAWCBZTDIZINR-PELKAZGASA-N -2 3 366.361 2.209 20 0 FEADHL O=C([O-])N[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)c1ccccc1 ZINC000832140650 603143613 /nfs/dbraw/zinc/14/36/13/603143613.db2.gz MLNDTHCTJWHOKJ-LLVKDONJSA-N -2 3 355.803 2.022 20 0 FEADHL Cc1nc(C)c(CC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)c(=O)[n-]1 ZINC000740217619 603219241 /nfs/dbraw/zinc/21/92/41/603219241.db2.gz MGEOFXWKJTYRGQ-UHFFFAOYSA-N -2 3 356.382 2.016 20 0 FEADHL C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823711932 603262142 /nfs/dbraw/zinc/26/21/42/603262142.db2.gz GNTOEEVWGBLEDQ-XHDPSFHLSA-N -2 3 366.381 2.450 20 0 FEADHL C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823711932 603262143 /nfs/dbraw/zinc/26/21/43/603262143.db2.gz GNTOEEVWGBLEDQ-XHDPSFHLSA-N -2 3 366.381 2.450 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3CCN(C(=O)[O-])[C@H](C)C3)cc2)cc(=O)[n-]1 ZINC000830686785 603284474 /nfs/dbraw/zinc/28/44/74/603284474.db2.gz RLIUCUSYAVYODW-LLVKDONJSA-N -2 3 371.397 2.374 20 0 FEADHL O=C([O-])N1CCc2nc([N-]C(=O)c3cc(-c4ccccn4)no3)sc2C1 ZINC000831810827 603774415 /nfs/dbraw/zinc/77/44/15/603774415.db2.gz UAXIKEBXCPLUMJ-UHFFFAOYSA-N -2 3 371.378 2.482 20 0 FEADHL Cc1cscc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826321980 607664281 /nfs/dbraw/zinc/66/42/81/607664281.db2.gz WFIGLOAFOHAMBM-UHFFFAOYSA-N -2 3 357.367 2.316 20 0 FEADHL Cc1cscc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826321980 607664283 /nfs/dbraw/zinc/66/42/83/607664283.db2.gz WFIGLOAFOHAMBM-UHFFFAOYSA-N -2 3 357.367 2.316 20 0 FEADHL C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824685424 604327826 /nfs/dbraw/zinc/32/78/26/604327826.db2.gz MJTVAQNZJRWBHM-YPMHNXCESA-N -2 3 358.402 2.221 20 0 FEADHL C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824685424 604327830 /nfs/dbraw/zinc/32/78/30/604327830.db2.gz MJTVAQNZJRWBHM-YPMHNXCESA-N -2 3 358.402 2.221 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000548193505 604409244 /nfs/dbraw/zinc/40/92/44/604409244.db2.gz GJHAJVBAJCMWTL-MRVPVSSYSA-N -2 3 360.844 2.463 20 0 FEADHL O=C([O-])C1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000263310536 604538997 /nfs/dbraw/zinc/53/89/97/604538997.db2.gz YOQMMRWITIMFCG-UHFFFAOYSA-N -2 3 357.204 2.161 20 0 FEADHL O=C([O-])c1csc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000833340904 604707348 /nfs/dbraw/zinc/70/73/48/604707348.db2.gz NKTCSYDVEPPSHU-LBPRGKRZSA-N -2 3 360.391 2.395 20 0 FEADHL CC(C)c1ccc(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000567802892 605013617 /nfs/dbraw/zinc/01/36/17/605013617.db2.gz BBORJCKNABQDTH-UHFFFAOYSA-N -2 3 354.453 2.486 20 0 FEADHL Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])c(C)c1 ZINC000571043494 605026204 /nfs/dbraw/zinc/02/62/04/605026204.db2.gz LRJNZQMSKSXNBN-NSHDSACASA-N -2 3 354.453 2.368 20 0 FEADHL COc1cc(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)cc(OC)c1[O-] ZINC000833726442 605043571 /nfs/dbraw/zinc/04/35/71/605043571.db2.gz ATNYCHTWJWUQCB-AWEZNQCLSA-N -2 3 359.378 2.316 20 0 FEADHL O=C([O-])N1CC[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000834078511 605426785 /nfs/dbraw/zinc/42/67/85/605426785.db2.gz QUFYLPDXTKBOEA-QMMMGPOBSA-N -2 3 353.227 2.272 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)cc2)n1 ZINC000829894396 605668356 /nfs/dbraw/zinc/66/83/56/605668356.db2.gz QKPBYQJUDOHJJM-CQSZACIVSA-N -2 3 358.398 2.366 20 0 FEADHL O=C([O-])N[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000834152079 605807176 /nfs/dbraw/zinc/80/71/76/605807176.db2.gz YATJFCNWSVPPNK-SECBINFHSA-N -2 3 353.227 2.318 20 0 FEADHL Cc1ccc(NC(=O)[O-])cc1NC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000833906396 606010832 /nfs/dbraw/zinc/01/08/32/606010832.db2.gz CPYGFFUVJPIWPM-UHFFFAOYSA-N -2 3 372.381 2.342 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccc2c(c1)CCCC2 ZINC000823583309 606337880 /nfs/dbraw/zinc/33/78/80/606337880.db2.gz MFRLWMXVQWDEKM-UHFFFAOYSA-N -2 3 371.422 2.252 20 0 FEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C(C)(C)CC(C)C ZINC000822222357 606614618 /nfs/dbraw/zinc/61/46/18/606614618.db2.gz DIQULFGGLNPDSU-UHFFFAOYSA-N -2 3 365.459 2.052 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C(C)(C)CC(C)C ZINC000822222357 606614620 /nfs/dbraw/zinc/61/46/20/606614620.db2.gz DIQULFGGLNPDSU-UHFFFAOYSA-N -2 3 365.459 2.052 20 0 FEADHL CC1(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000824817283 607806567 /nfs/dbraw/zinc/80/65/67/607806567.db2.gz MTHDJRFMIARCFF-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL CC1(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000824817283 607806568 /nfs/dbraw/zinc/80/65/68/607806568.db2.gz MTHDJRFMIARCFF-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1CC ZINC000825716873 607932686 /nfs/dbraw/zinc/93/26/86/607932686.db2.gz CAGKHTHWQVYGNY-UHFFFAOYSA-N -2 3 358.427 2.187 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1c(Cl)ccnc1Cl ZINC000826492793 608351408 /nfs/dbraw/zinc/35/14/08/608351408.db2.gz DKDWIIWDCAJSHN-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1c(Cl)ccnc1Cl ZINC000826492793 608351409 /nfs/dbraw/zinc/35/14/09/608351409.db2.gz DKDWIIWDCAJSHN-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL CCCc1csc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825353454 608490232 /nfs/dbraw/zinc/49/02/32/608490232.db2.gz XHMGTCZSTCSURR-UHFFFAOYSA-N -2 3 350.429 2.077 20 0 FEADHL CCCc1csc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825353454 608490233 /nfs/dbraw/zinc/49/02/33/608490233.db2.gz XHMGTCZSTCSURR-UHFFFAOYSA-N -2 3 350.429 2.077 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826278615 608527267 /nfs/dbraw/zinc/52/72/67/608527267.db2.gz LQQWRKOGHYBJQH-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL COc1ccc(F)cc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826209280 608528415 /nfs/dbraw/zinc/52/84/15/608528415.db2.gz UXUKXRRCRDJIBR-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000563705967 674930060 /nfs/dbraw/zinc/93/00/60/674930060.db2.gz CFWNCIIIDBDMFU-BDAKNGLRSA-N -2 3 350.487 2.184 20 0 FEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C(=O)[O-] ZINC000570704477 670756458 /nfs/dbraw/zinc/75/64/58/670756458.db2.gz DJKZPQMUDGKTKN-UHFFFAOYSA-N -3 3 367.354 2.260 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000572517185 671012231 /nfs/dbraw/zinc/01/22/31/671012231.db2.gz FCGCNPUSWLWHQK-LLVKDONJSA-N -2 3 358.416 2.339 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@@H](C)C(=O)[O-] ZINC000573079819 671079407 /nfs/dbraw/zinc/07/94/07/671079407.db2.gz KPWSAEMGWZKTGM-RNFRBKRXSA-N -2 3 370.652 2.490 20 0 FEADHL CCCOc1ccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000576036468 671339678 /nfs/dbraw/zinc/33/96/78/671339678.db2.gz SIAFXDKHRMYKKR-UHFFFAOYSA-N -2 3 356.425 2.109 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000579948775 671772290 /nfs/dbraw/zinc/77/22/90/671772290.db2.gz YKPQVZLCAJZORT-UHFFFAOYSA-N -2 3 359.454 2.046 20 0 FEADHL COc1cc(F)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1F ZINC000580384924 671802150 /nfs/dbraw/zinc/80/21/50/671802150.db2.gz PGOIFJATMQENMV-UHFFFAOYSA-N -2 3 357.334 2.401 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(F)cc2)cc1C(=O)[O-] ZINC000580441342 671808092 /nfs/dbraw/zinc/80/80/92/671808092.db2.gz PGXSBHVLVLZLPB-SECBINFHSA-N -2 3 357.359 2.171 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccnc2OCC(F)F)c1 ZINC000538296210 673432203 /nfs/dbraw/zinc/43/22/03/673432203.db2.gz MMONJTDYLHIRKG-UHFFFAOYSA-N -2 3 360.338 2.241 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)c(F)cc2NC(C)=O)c1 ZINC000538298121 673432489 /nfs/dbraw/zinc/43/24/89/673432489.db2.gz DUIIGBGMLNQZCB-UHFFFAOYSA-N -2 3 372.349 2.438 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)c1 ZINC000540496365 673543560 /nfs/dbraw/zinc/54/35/60/673543560.db2.gz KYGIKSBRRWPYRQ-UHFFFAOYSA-N -2 3 362.407 2.328 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)ccc1OCCO ZINC000542050204 673560415 /nfs/dbraw/zinc/56/04/15/673560415.db2.gz HREKFEOQOKUYGR-UHFFFAOYSA-N -2 3 365.407 2.174 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1c(F)cccc1F ZINC000547936160 673907060 /nfs/dbraw/zinc/90/70/60/673907060.db2.gz BZXKTULZRRKHTP-CYBMUJFWSA-N -2 3 363.288 2.347 20 0 FEADHL O=C([O-])[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000548206755 673934388 /nfs/dbraw/zinc/93/43/88/673934388.db2.gz CPVILFKFTKECQF-LDYMZIIASA-N -2 3 368.238 2.152 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](CCCc2ccccc2)C(=O)[O-])s1 ZINC000548217814 673936340 /nfs/dbraw/zinc/93/63/40/673936340.db2.gz QTGYUHKKJSNBFR-CYBMUJFWSA-N -2 3 368.480 2.460 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]C[C@H](Cc2ccc(C)cc2)C(=O)[O-])s1 ZINC000548220879 673937072 /nfs/dbraw/zinc/93/70/72/673937072.db2.gz LNTRDUFRNDXGFB-ZDUSSCGKSA-N -2 3 368.480 2.236 20 0 FEADHL CSCC[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000548236189 673940016 /nfs/dbraw/zinc/94/00/16/673940016.db2.gz RNSBEOXSEPEMGT-NSHDSACASA-N -2 3 372.493 2.295 20 0 FEADHL COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000567046043 675262883 /nfs/dbraw/zinc/26/28/83/675262883.db2.gz OPIBJPIYZIMKRQ-NSHDSACASA-N -2 3 367.423 2.452 20 0 FEADHL O=C([O-])[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCOC1 ZINC000630432527 676900581 /nfs/dbraw/zinc/90/05/81/676900581.db2.gz NGNQLGSNIKZDIC-CYBMUJFWSA-N -2 3 368.238 2.153 20 0 FEADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000829928790 677018173 /nfs/dbraw/zinc/01/81/73/677018173.db2.gz LTGUBZKDARVJGK-SNVBAGLBSA-N -2 3 354.350 2.412 20 0 FEADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)C2CC2)n1 ZINC000645982693 677276295 /nfs/dbraw/zinc/27/62/95/677276295.db2.gz GQNSKTCUSBIDSB-CYBMUJFWSA-N -2 3 367.452 2.283 20 0 FEADHL CC[C@@H](OCC[N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1 ZINC000650440659 677375187 /nfs/dbraw/zinc/37/51/87/677375187.db2.gz HDXLKAKUFBGACI-GFCCVEGCSA-N -2 3 370.452 2.288 20 0 FEADHL CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000761308103 680718817 /nfs/dbraw/zinc/71/88/17/680718817.db2.gz NGMCPCKFNALHBT-SFYZADRCSA-N -2 3 351.396 2.225 20 0 FEADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000672787636 679393485 /nfs/dbraw/zinc/39/34/85/679393485.db2.gz AYSCXXKQCKKEHB-CABZTGNLSA-N -2 3 352.334 2.022 20 0 FEADHL Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844897009 681091403 /nfs/dbraw/zinc/09/14/03/681091403.db2.gz LBURNPLJJJZKMP-SSDOTTSWSA-N -2 3 374.365 2.350 20 0 FEADHL CC(C)Oc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F ZINC000926478600 683130528 /nfs/dbraw/zinc/13/05/28/683130528.db2.gz NZYCOJLJSCPZOV-SECBINFHSA-N -2 3 369.361 2.247 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](COC(C)C)C(=O)[O-])c1Cl ZINC000863419031 683720881 /nfs/dbraw/zinc/72/08/81/683720881.db2.gz PHAMQTARIWFMOE-JTQLQIEISA-N -2 3 370.254 2.458 20 0 FEADHL COc1c(F)cccc1S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F ZINC000864437380 683852449 /nfs/dbraw/zinc/85/24/49/683852449.db2.gz HIVONNATNKQVCV-MRVPVSSYSA-N -2 3 373.324 2.156 20 0 FEADHL CC(C)=CC[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000864449218 683855011 /nfs/dbraw/zinc/85/50/11/683855011.db2.gz CBZVAKALXBJDMW-JTQLQIEISA-N -2 3 352.334 2.188 20 0 FEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000871976379 684901194 /nfs/dbraw/zinc/90/11/94/684901194.db2.gz PMXSBAZYBBFKQF-KVSKUHBBSA-N -2 3 366.258 2.286 20 0 FEADHL O=C([O-])CC1CC([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000899933207 690443551 /nfs/dbraw/zinc/44/35/51/690443551.db2.gz JVJVMNPCFXRBGO-UHFFFAOYSA-N -2 3 355.309 2.376 20 0 FEADHL O=C([O-])C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000899944889 690446129 /nfs/dbraw/zinc/44/61/29/690446129.db2.gz DBEXAUOQSDDDCF-GZMMTYOYSA-N -2 3 368.238 2.152 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2n[n-]c3cc(C)n(C)c(=O)c32)cc(C)c1F ZINC000903161979 690858684 /nfs/dbraw/zinc/85/86/84/690858684.db2.gz RSFOJNAJKVTOFT-UHFFFAOYSA-N -2 3 364.402 2.127 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)CC(=O)[O-])s1 ZINC000906006449 691211888 /nfs/dbraw/zinc/21/18/88/691211888.db2.gz ZFXCDRAPKNIKNV-ZDUSSCGKSA-N -2 3 354.453 2.206 20 0 FEADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000906984903 691361142 /nfs/dbraw/zinc/36/11/42/691361142.db2.gz ADBKPEXNRGMBNF-LLVKDONJSA-N -2 3 353.318 2.013 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c2ncccc12 ZINC000103059401 543089879 /nfs/dbraw/zinc/08/98/79/543089879.db2.gz CIHMUYCPHJQFJU-UHFFFAOYSA-N -2 3 370.369 2.355 20 0 FEADHL CN(CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000237094192 328504517 /nfs/dbraw/zinc/50/45/17/328504517.db2.gz QTIDJHIVLBZLJE-UHFFFAOYSA-N -2 3 366.414 2.329 20 0 FEADHL O=C([O-])CCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000237919123 328534116 /nfs/dbraw/zinc/53/41/16/328534116.db2.gz UDUIEVIIMSYBLY-UHFFFAOYSA-N -2 3 367.199 2.275 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000261682333 328811426 /nfs/dbraw/zinc/81/14/26/328811426.db2.gz LYZFRJDZTFAJSM-SNVBAGLBSA-N -2 3 370.652 2.490 20 0 FEADHL COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)c(Cl)c1Cl ZINC000261760920 328817699 /nfs/dbraw/zinc/81/76/99/328817699.db2.gz XQMSZDUWRPRNTA-NSHDSACASA-N -2 3 356.227 2.390 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)CC2(C(=O)[O-])CCC2)cc1OC ZINC000262472733 328868008 /nfs/dbraw/zinc/86/80/08/328868008.db2.gz HAIRUDNBZONAGP-UHFFFAOYSA-N -2 3 370.427 2.040 20 0 FEADHL CS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)ccc1F ZINC000263010534 328908103 /nfs/dbraw/zinc/90/81/03/328908103.db2.gz YQKRJWPEXUYRJG-MGCOHNPYSA-N -2 3 358.391 2.027 20 0 FEADHL COc1ccc(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)c(Cl)c1Cl ZINC000275007921 330001736 /nfs/dbraw/zinc/00/17/36/330001736.db2.gz MTOYREFPHAQANV-JGVFFNPUSA-N -2 3 366.222 2.310 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])s1 ZINC000275317016 330034127 /nfs/dbraw/zinc/03/41/27/330034127.db2.gz RWRORKFATBAJRC-UHFFFAOYSA-N -2 3 363.457 2.238 20 0 FEADHL CCOC(C)(C)C[N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000275474908 330052989 /nfs/dbraw/zinc/05/29/89/330052989.db2.gz MGWUFSOVJRXRSH-UHFFFAOYSA-N -2 3 353.799 2.271 20 0 FEADHL Cc1nnnn1-c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000555530537 450594028 /nfs/dbraw/zinc/59/40/28/450594028.db2.gz OSAGUYGDIZCQRS-UHFFFAOYSA-N -2 3 365.802 2.131 20 0 FEADHL COC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CCC(C)CC1 ZINC000479887422 561198810 /nfs/dbraw/zinc/19/88/10/561198810.db2.gz HVIMTRHOBWEYJU-UHFFFAOYSA-N -2 3 359.419 2.398 20 0 FEADHL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc([O-])c(C(=O)OC)c2)c1C ZINC000480195038 561204634 /nfs/dbraw/zinc/20/46/34/561204634.db2.gz JCRIWMHLVMJFBK-SNVBAGLBSA-N -2 3 367.427 2.456 20 0 FEADHL COCc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000481436469 561232813 /nfs/dbraw/zinc/23/28/13/561232813.db2.gz OHUYHSDAFLGXMD-UHFFFAOYSA-N -2 3 350.396 2.298 20 0 FEADHL O=C([O-])[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000180345751 547088469 /nfs/dbraw/zinc/08/84/69/547088469.db2.gz LNQRRUIGSPUTMV-HUUCEWRRSA-N -2 3 350.378 2.288 20 0 FEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000484560853 561300004 /nfs/dbraw/zinc/30/00/04/561300004.db2.gz SZOMYGZZBMDPPM-UHFFFAOYSA-N -2 3 372.786 2.042 20 0 FEADHL C[C@H](CN1C[C@H](C)C[C@H](C)C1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000184958492 547906906 /nfs/dbraw/zinc/90/69/06/547906906.db2.gz GQFYCRXNBTUSTB-GRYCIOLGSA-N -2 3 360.501 2.091 20 0 FEADHL CC[C@@H](CNC(=O)c1c([O-])cccc1F)NC(=O)c1c([O-])cccc1F ZINC000185202755 547950590 /nfs/dbraw/zinc/95/05/90/547950590.db2.gz RCUUUCUNMDJERG-JTQLQIEISA-N -2 3 364.348 2.314 20 0 FEADHL O=C([N-]OCc1ccc(F)cc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000186446594 548136566 /nfs/dbraw/zinc/13/65/66/548136566.db2.gz OAXFXCHPKQNAHT-INIZCTEOSA-N -2 3 358.369 2.384 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@@H](C)C2)c1 ZINC000248882419 549521299 /nfs/dbraw/zinc/52/12/99/549521299.db2.gz PDGPRGPCWUTEGD-DGCLKSJQSA-N -2 3 372.462 2.231 20 0 FEADHL CSC[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000273658149 550507139 /nfs/dbraw/zinc/50/71/39/550507139.db2.gz HPGZYSHIEYYKEP-YFKPBYRVSA-N -2 3 374.303 2.239 20 0 FEADHL C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000273670887 550507455 /nfs/dbraw/zinc/50/74/55/550507455.db2.gz JISUJOOIECBWAQ-RQJHMYQMSA-N -2 3 366.208 2.221 20 0 FEADHL CC(C)(O)CC[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000274800665 550555733 /nfs/dbraw/zinc/55/57/33/550555733.db2.gz SJHWITBBBKHYNC-UHFFFAOYSA-N -2 3 356.227 2.131 20 0 FEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000274928214 550565332 /nfs/dbraw/zinc/56/53/32/550565332.db2.gz OKRGDTNWUINQDZ-UHFFFAOYSA-N -2 3 366.395 2.006 20 0 FEADHL CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)o1 ZINC000291981043 552681135 /nfs/dbraw/zinc/68/11/35/552681135.db2.gz VBUSVLXKSFLPIY-UHFFFAOYSA-N -2 3 356.375 2.251 20 0 FEADHL CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000504261070 561655214 /nfs/dbraw/zinc/65/52/14/561655214.db2.gz SCSDKUMTNIFGOT-UHFFFAOYSA-N -2 3 359.400 2.126 20 0 FEADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000325683895 553777811 /nfs/dbraw/zinc/77/78/11/553777811.db2.gz OXMIJRCTIWULTD-VIFPVBQESA-N -2 3 362.379 2.292 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1C(=O)[O-] ZINC000326795194 553783592 /nfs/dbraw/zinc/78/35/92/553783592.db2.gz RTIXIQVBOBPBEZ-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000507605120 561734791 /nfs/dbraw/zinc/73/47/91/561734791.db2.gz WDUGIZLYQRFALL-UHFFFAOYSA-N -3 3 365.363 2.039 20 0 FEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCCCO)cc1 ZINC000507630900 561736035 /nfs/dbraw/zinc/73/60/35/561736035.db2.gz USKAJOFMDIROCG-UHFFFAOYSA-N -2 3 365.407 2.255 20 0 FEADHL C[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cn1 ZINC000350614266 554802585 /nfs/dbraw/zinc/80/25/85/554802585.db2.gz RJPRROOXXLQDMW-UHFFFAOYSA-N -2 3 366.786 2.066 20 0 FEADHL O=c1[n-]n(CCc2nc(-c3ccc([O-])c(F)c3)no2)c(=O)c2ccccc12 ZINC000350839886 554817258 /nfs/dbraw/zinc/81/72/58/554817258.db2.gz TYOXGAYIEHYPSR-UHFFFAOYSA-N -2 3 368.324 2.240 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1c(F)cc(F)cc1F ZINC000362959006 555003059 /nfs/dbraw/zinc/00/30/59/555003059.db2.gz WYUDSUMHOONVND-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1c(F)cc(F)cc1F ZINC000362959006 555003060 /nfs/dbraw/zinc/00/30/60/555003060.db2.gz WYUDSUMHOONVND-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c(C)c1F ZINC000364720409 555384709 /nfs/dbraw/zinc/38/47/09/555384709.db2.gz GMQGNWCRJCJNOQ-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c(C)c1F ZINC000364720409 555384710 /nfs/dbraw/zinc/38/47/10/555384710.db2.gz GMQGNWCRJCJNOQ-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000365113042 555488499 /nfs/dbraw/zinc/48/84/99/555488499.db2.gz JQDACBTVBZWRFL-UHFFFAOYSA-N -2 3 372.410 2.016 20 0 FEADHL CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000365113042 555488501 /nfs/dbraw/zinc/48/85/01/555488501.db2.gz JQDACBTVBZWRFL-UHFFFAOYSA-N -2 3 372.410 2.016 20 0 FEADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-][C@@H]1COc2ccc(C)cc21 ZINC000514726198 561976317 /nfs/dbraw/zinc/97/63/17/561976317.db2.gz YOVKVLCXQUGQEY-LLVKDONJSA-N -2 3 353.421 2.475 20 0 FEADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000515631745 562017620 /nfs/dbraw/zinc/01/76/20/562017620.db2.gz PBNJZUSBPWYESC-QMMMGPOBSA-N -2 3 355.334 2.206 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)cc1C(N)=O ZINC000391716342 558614639 /nfs/dbraw/zinc/61/46/39/558614639.db2.gz AKPJOCONBABKHS-UHFFFAOYSA-N -2 3 368.798 2.246 20 0 FEADHL CC[C@H](CS(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1)OC ZINC000421150375 559526911 /nfs/dbraw/zinc/52/69/11/559526911.db2.gz ILXOHVPFRVBEQP-LLVKDONJSA-N -2 3 366.233 2.314 20 0 FEADHL CCOC(=O)c1ccc([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c([O-])c1 ZINC000421161857 559527846 /nfs/dbraw/zinc/52/78/46/559527846.db2.gz YBDMIFYFVNOOAW-ZDUSSCGKSA-N -2 3 359.444 2.372 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1 ZINC000436657346 559948091 /nfs/dbraw/zinc/94/80/91/559948091.db2.gz UWUBHXTVBSMPAB-UHFFFAOYSA-N -3 3 362.285 2.305 20 0 FEADHL Cn1[n-]c(=NC(=O)c2ccc(Br)cc2[O-])cc1OC(F)F ZINC000436819742 559953130 /nfs/dbraw/zinc/95/31/30/559953130.db2.gz JBBWDOBNULHNCU-UHFFFAOYSA-N -2 3 362.130 2.742 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c1 ZINC000436889626 559955605 /nfs/dbraw/zinc/95/56/05/559955605.db2.gz WOXAAUFGJDAQNR-UHFFFAOYSA-N -4 3 371.754 2.243 20 0 FEADHL O=C(N=c1nc(-c2ccc([O-])c(Cl)c2)[nH][n-]1)c1noc2c1CCCC2 ZINC000436917392 559956505 /nfs/dbraw/zinc/95/65/05/559956505.db2.gz XMQOKKLUOKLEDV-UHFFFAOYSA-N -2 3 359.773 2.950 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1ccc(Br)o1 ZINC000442596105 560053204 /nfs/dbraw/zinc/05/32/04/560053204.db2.gz DHXPIDFZRNJEQL-UHFFFAOYSA-N -2 3 370.188 2.023 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(Br)o1 ZINC000442596105 560053205 /nfs/dbraw/zinc/05/32/05/560053205.db2.gz DHXPIDFZRNJEQL-UHFFFAOYSA-N -2 3 370.188 2.023 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](C)C2CC2)c(F)c1 ZINC000451010076 560282173 /nfs/dbraw/zinc/28/21/73/560282173.db2.gz SMDXCHJKUZLPHX-SNVBAGLBSA-N -2 3 364.464 2.054 20 0 FEADHL CCc1nnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])s1 ZINC000451560413 560314815 /nfs/dbraw/zinc/31/48/15/560314815.db2.gz AHWYGAMPURQKBP-UHFFFAOYSA-N -2 3 367.374 2.303 20 0 FEADHL CO[C@H](C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)CC(=O)[O-] ZINC000530541210 562415427 /nfs/dbraw/zinc/41/54/27/562415427.db2.gz LYZYYLOJJUDLHI-JTQLQIEISA-N -2 3 361.803 2.163 20 0 FEADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000534064110 562524630 /nfs/dbraw/zinc/52/46/30/562524630.db2.gz KAJWEQCBDHWMLM-CQSZACIVSA-N -2 3 369.826 2.323 20 0 FEADHL COc1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc(C(=O)[O-])c1OC ZINC000534885504 562544612 /nfs/dbraw/zinc/54/46/12/562544612.db2.gz NEZCKCLVSSHZFJ-UHFFFAOYSA-N -3 3 371.342 2.048 20 0 FEADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000535499243 562559940 /nfs/dbraw/zinc/55/99/40/562559940.db2.gz OFSMUXNPDBKKNK-UHFFFAOYSA-N -2 3 374.846 2.146 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1C(=O)[O-] ZINC000535686947 562564136 /nfs/dbraw/zinc/56/41/36/562564136.db2.gz XIHLQLYWEFEECD-UHFFFAOYSA-N -2 3 353.371 2.379 20 0 FEADHL CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000537197445 562587732 /nfs/dbraw/zinc/58/77/32/562587732.db2.gz GBRKIFFSPZGTQO-UHFFFAOYSA-N -2 3 370.814 2.215 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c2n[nH]cc21 ZINC000737301391 598931614 /nfs/dbraw/zinc/93/16/14/598931614.db2.gz LJOIZACCGIHRHP-UHFFFAOYSA-N -2 3 369.410 2.161 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccnn1[C@H](C)C1CC1 ZINC000737301989 598932318 /nfs/dbraw/zinc/93/23/18/598932318.db2.gz ZTJZIFKOUPVBLV-LLVKDONJSA-N -2 3 373.442 2.143 20 0 FEADHL O=S(=O)([N-]c1ccccc1OCC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738341624 598951218 /nfs/dbraw/zinc/95/12/18/598951218.db2.gz GXSRXDJEGOYMDB-UHFFFAOYSA-N -2 3 371.422 2.456 20 0 FEADHL O=S(=O)([N-]c1ccccc1OCC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738341624 598951220 /nfs/dbraw/zinc/95/12/20/598951220.db2.gz GXSRXDJEGOYMDB-UHFFFAOYSA-N -2 3 371.422 2.456 20 0 FEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1sccc1C ZINC000737062192 599098270 /nfs/dbraw/zinc/09/82/70/599098270.db2.gz IZJGWMPIEYSLEP-UHFFFAOYSA-N -2 3 351.413 2.046 20 0 FEADHL COC[C@@H](C)Sc1nc(-c2ccc(OC)cc2)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC000821682731 599123177 /nfs/dbraw/zinc/12/31/77/599123177.db2.gz MOMZIUZORBXOJA-SECBINFHSA-N -2 3 374.426 2.165 20 0 FEADHL CCc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000821499712 599233128 /nfs/dbraw/zinc/23/31/28/599233128.db2.gz PBOBKIMHBKKCNF-UHFFFAOYSA-N -2 3 370.847 2.340 20 0 FEADHL CCc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000821499712 599233131 /nfs/dbraw/zinc/23/31/31/599233131.db2.gz PBOBKIMHBKKCNF-UHFFFAOYSA-N -2 3 370.847 2.340 20 0 FEADHL O=C([O-])c1ccc(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000819683825 597313138 /nfs/dbraw/zinc/31/31/38/597313138.db2.gz VKQFSJKNHRTYSZ-MRXNPFEDSA-N -2 3 369.373 2.438 20 0 FEADHL O=C([O-])C(F)(F)Oc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738206627 598435097 /nfs/dbraw/zinc/43/50/97/598435097.db2.gz FQBIRZJBONIWCE-KTAJNNJTSA-N -2 3 359.292 2.488 20 0 FEADHL O=C([O-])C(F)(F)Oc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000738206627 598435099 /nfs/dbraw/zinc/43/50/99/598435099.db2.gz FQBIRZJBONIWCE-KTAJNNJTSA-N -2 3 359.292 2.488 20 0 FEADHL O=S(=O)([N-]c1cc(-c2cccs2)[nH]n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738344847 598638439 /nfs/dbraw/zinc/63/84/39/598638439.db2.gz JZWDBSRBJJMSNJ-UHFFFAOYSA-N -2 3 373.423 2.119 20 0 FEADHL O=S(=O)([N-]c1cc(-c2cccs2)[nH]n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738344847 598638441 /nfs/dbraw/zinc/63/84/41/598638441.db2.gz JZWDBSRBJJMSNJ-UHFFFAOYSA-N -2 3 373.423 2.119 20 0 FEADHL CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1Cl ZINC000737357565 599766767 /nfs/dbraw/zinc/76/67/67/599766767.db2.gz CXZJYJLCYRXPKP-LBPRGKRZSA-N -2 3 372.830 2.212 20 0 FEADHL C[C@@]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)(C(=O)[O-])C1CC1 ZINC000736669644 600238939 /nfs/dbraw/zinc/23/89/39/600238939.db2.gz BEKMGHMLTBXODK-LBPRGKRZSA-N -2 3 355.309 2.376 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c([O-])c1 ZINC000738515216 600365851 /nfs/dbraw/zinc/36/58/51/600365851.db2.gz RNSFZYABTYLMAM-HNNXBMFYSA-N -2 3 368.389 2.036 20 0 FEADHL O=C([O-])Cc1nc([N-]C(=O)c2cnc(-c3ccccc3Cl)s2)n[nH]1 ZINC000739899109 600535735 /nfs/dbraw/zinc/53/57/35/600535735.db2.gz BSMABOIAMLRCAT-UHFFFAOYSA-N -2 3 363.786 2.461 20 0 FEADHL Cn1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1C(=O)[O-] ZINC000833053905 600830528 /nfs/dbraw/zinc/83/05/28/600830528.db2.gz GPXKABJVOVPBEX-UHFFFAOYSA-N -2 3 367.402 2.263 20 0 FEADHL NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])c(F)c1 ZINC000833086687 600831746 /nfs/dbraw/zinc/83/17/46/600831746.db2.gz QQIWKZDPWWYDMX-UHFFFAOYSA-N -2 3 372.761 2.077 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c[nH]1 ZINC000833303988 600981892 /nfs/dbraw/zinc/98/18/92/600981892.db2.gz DYFHYTQPRAGRST-UHFFFAOYSA-N -2 3 353.375 2.253 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]CCOc2ccc(C)cc2C)cc1C(=O)[O-] ZINC000832952608 601215439 /nfs/dbraw/zinc/21/54/39/601215439.db2.gz USZAXEUHHGMKJL-UHFFFAOYSA-N -2 3 353.396 2.260 20 0 FEADHL CCN(CC)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccco1 ZINC000829666674 601219060 /nfs/dbraw/zinc/21/90/60/601219060.db2.gz OUHQWWMPUSWRGZ-CYBMUJFWSA-N -2 3 370.427 2.241 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2C)cc1C(=O)[O-] ZINC000579469534 601223114 /nfs/dbraw/zinc/22/31/14/601223114.db2.gz JSHPHQDUJGSLRP-LLVKDONJSA-N -2 3 353.396 2.340 20 0 FEADHL CCc1nc(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cs1 ZINC000393280088 601234685 /nfs/dbraw/zinc/23/46/85/601234685.db2.gz XFYKNYFIFGIQED-UHFFFAOYSA-N -2 3 362.379 2.160 20 0 FEADHL CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000318653033 601238941 /nfs/dbraw/zinc/23/89/41/601238941.db2.gz XUEHUFHCAICVLD-YUMQZZPRSA-N -2 3 351.396 2.225 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccc(C)o1 ZINC000761308197 601261562 /nfs/dbraw/zinc/26/15/62/601261562.db2.gz DVUIWGOYBWDYME-ZDUSSCGKSA-N -2 3 357.359 2.091 20 0 FEADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000832871958 601335390 /nfs/dbraw/zinc/33/53/90/601335390.db2.gz GKTYHRPWOIRIGT-UHFFFAOYSA-N -3 3 365.363 2.206 20 0 FEADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000833318607 601858451 /nfs/dbraw/zinc/85/84/51/601858451.db2.gz AEFXACTZQJIYQD-UHFFFAOYSA-N -3 3 357.290 2.162 20 0 FEADHL CC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000824029259 607532011 /nfs/dbraw/zinc/53/20/11/607532011.db2.gz IEVUEFGWDDKYPB-UHFFFAOYSA-N -2 3 357.395 2.179 20 0 FEADHL CC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000824029259 607532013 /nfs/dbraw/zinc/53/20/13/607532013.db2.gz IEVUEFGWDDKYPB-UHFFFAOYSA-N -2 3 357.395 2.179 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1-c1nnn[n-]1 ZINC000826303861 607536496 /nfs/dbraw/zinc/53/64/96/607536496.db2.gz JOEWAAWUHXMFEI-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1-c1nn[n-]n1 ZINC000826303861 607536497 /nfs/dbraw/zinc/53/64/97/607536497.db2.gz JOEWAAWUHXMFEI-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1CC1 ZINC000232527660 602157707 /nfs/dbraw/zinc/15/77/07/602157707.db2.gz VVCBXBAJSQGWBY-UHFFFAOYSA-N -2 3 352.206 2.207 20 0 FEADHL O=C([O-])Nc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)c([O-])c1 ZINC000740698424 602850088 /nfs/dbraw/zinc/85/00/88/602850088.db2.gz KYLTZULJBITUDM-UHFFFAOYSA-N -2 3 356.382 2.276 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])c(F)cc1F ZINC000830132831 603904249 /nfs/dbraw/zinc/90/42/49/603904249.db2.gz LLGJOWXQVXBRSD-FGWVZKOKSA-N -2 3 360.382 2.225 20 0 FEADHL O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000832349827 603984910 /nfs/dbraw/zinc/98/49/10/603984910.db2.gz JSSXVZUTNDHOFJ-CABCVRRESA-N -2 3 372.429 2.090 20 0 FEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C1CC1 ZINC000776576771 604486504 /nfs/dbraw/zinc/48/65/04/604486504.db2.gz FUGFBOVNIAKPJS-SNVBAGLBSA-N -2 3 366.208 2.120 20 0 FEADHL C[C@@H](OCCC[N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1 ZINC000583438454 605015111 /nfs/dbraw/zinc/01/51/11/605015111.db2.gz LVOSOWOEJGLAGN-LLVKDONJSA-N -2 3 370.452 2.288 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1F ZINC000577866366 605022433 /nfs/dbraw/zinc/02/24/33/605022433.db2.gz KPLPHORBPABUOD-UHFFFAOYSA-N -2 3 358.416 2.237 20 0 FEADHL COc1cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c(C(=O)[O-])cc1OC ZINC000833728885 605320764 /nfs/dbraw/zinc/32/07/64/605320764.db2.gz CHECHNYYUOTRCD-LCYFTJDESA-N -2 3 368.345 2.125 20 0 FEADHL O=C([O-])N1CCc2ccccc2[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000831779091 605594988 /nfs/dbraw/zinc/59/49/88/605594988.db2.gz ZNDSCUBCUFXTPS-HNNXBMFYSA-N -2 3 364.365 2.083 20 0 FEADHL O=C([O-])N1CCc2ccccc2[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000831779091 605594994 /nfs/dbraw/zinc/59/49/94/605594994.db2.gz ZNDSCUBCUFXTPS-HNNXBMFYSA-N -2 3 364.365 2.083 20 0 FEADHL CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000833853784 605951469 /nfs/dbraw/zinc/95/14/69/605951469.db2.gz MZAZOCJZCXKOIE-LBPRGKRZSA-N -2 3 352.387 2.014 20 0 FEADHL CSc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1 ZINC000821983373 606210706 /nfs/dbraw/zinc/21/07/06/606210706.db2.gz HHYGASZOWWYYHX-UHFFFAOYSA-N -2 3 363.424 2.095 20 0 FEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(Cl)ccn1 ZINC000822154365 606695858 /nfs/dbraw/zinc/69/58/58/606695858.db2.gz VMKTXQLDHBEFFN-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnc(Cl)cc1C ZINC000822202306 606980859 /nfs/dbraw/zinc/98/08/59/606980859.db2.gz VDVFDRXTJSWRPD-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2ccccc2-c2nnn[n-]2)c(C(=O)[O-])c1 ZINC000825565559 608385979 /nfs/dbraw/zinc/38/59/79/608385979.db2.gz VNXDUKAXYYGZTE-BQYQJAHWSA-N -2 3 365.349 2.307 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2ccccc2-c2nn[n-]n2)c(C(=O)[O-])c1 ZINC000825565559 608385981 /nfs/dbraw/zinc/38/59/81/608385981.db2.gz VNXDUKAXYYGZTE-BQYQJAHWSA-N -2 3 365.349 2.307 20 0 FEADHL CCc1cnc(C[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)s1 ZINC000564215521 674985248 /nfs/dbraw/zinc/98/52/48/674985248.db2.gz IADVQROXELFPLG-UHFFFAOYSA-N -2 3 358.416 2.330 20 0 FEADHL Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)o1 ZINC000084461475 670668548 /nfs/dbraw/zinc/66/85/48/670668548.db2.gz SGAGWAJCRNJEDR-UHFFFAOYSA-N -2 3 350.396 2.050 20 0 FEADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000570230294 670681962 /nfs/dbraw/zinc/68/19/62/670681962.db2.gz APPAPBMOCNFPRR-SSDOTTSWSA-N -2 3 359.297 2.256 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000573441551 671122968 /nfs/dbraw/zinc/12/29/68/671122968.db2.gz CRPDXNMDPZTYIL-HIFRSBDPSA-N -2 3 351.380 2.176 20 0 FEADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@]1(CC(=O)[O-])CCOC1 ZINC000573677324 671150354 /nfs/dbraw/zinc/15/03/54/671150354.db2.gz XAJUZAHVVZRWRT-HNNXBMFYSA-N -2 3 373.814 2.307 20 0 FEADHL CCO[C@@H](CC[N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CCCC1 ZINC000575284278 671307990 /nfs/dbraw/zinc/30/79/90/671307990.db2.gz KQWBBZWNCGYZIY-NSHDSACASA-N -2 3 362.473 2.105 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000575865733 671327193 /nfs/dbraw/zinc/32/71/93/671327193.db2.gz QUUUFOSDVZQAJY-UKRRQHHQSA-N -2 3 369.370 2.316 20 0 FEADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000576561459 671377388 /nfs/dbraw/zinc/37/73/88/671377388.db2.gz PPDSCBLNUULKPY-RQJHMYQMSA-N -2 3 370.652 2.490 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CC1 ZINC000578201913 671648541 /nfs/dbraw/zinc/64/85/41/671648541.db2.gz CIXPPLJLYGHPRW-JTQLQIEISA-N -2 3 368.636 2.244 20 0 FEADHL CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccccc2C(=O)[O-])s1 ZINC000581605627 671916578 /nfs/dbraw/zinc/91/65/78/671916578.db2.gz PMZYVRHZXRFBBF-UHFFFAOYSA-N -2 3 355.441 2.012 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2cc(F)c(C)cc2C(=O)[O-])CCCC1 ZINC000582035062 671960903 /nfs/dbraw/zinc/96/09/03/671960903.db2.gz GYNSWNRJYCLRSB-UHFFFAOYSA-N -2 3 373.402 2.307 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1CCCc2ccccc21 ZINC000582843489 672039158 /nfs/dbraw/zinc/03/91/58/672039158.db2.gz GTCDYNPFUIWEFG-NSHDSACASA-N -2 3 352.437 2.240 20 0 FEADHL Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000583082279 672061944 /nfs/dbraw/zinc/06/19/44/672061944.db2.gz OJZFWFWMAJELKS-BBRMVZONSA-N -2 3 365.407 2.485 20 0 FEADHL Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000583082281 672062073 /nfs/dbraw/zinc/06/20/73/672062073.db2.gz OJZFWFWMAJELKS-CZUORRHYSA-N -2 3 365.407 2.485 20 0 FEADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1(C(=O)[O-])CCOCC1 ZINC000584338594 672178030 /nfs/dbraw/zinc/17/80/30/672178030.db2.gz TWCNNLDWGVYMPM-UHFFFAOYSA-N -2 3 373.814 2.307 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C1CC1 ZINC000161830118 672300203 /nfs/dbraw/zinc/30/02/03/672300203.db2.gz OOUQTWINDDAXLP-JTQLQIEISA-N -2 3 366.208 2.120 20 0 FEADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000176720755 672376624 /nfs/dbraw/zinc/37/66/24/672376624.db2.gz VRSLRMVDECHYOC-UHFFFAOYSA-N -2 3 363.226 2.406 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c[n-]1 ZINC000589657484 672537775 /nfs/dbraw/zinc/53/77/75/672537775.db2.gz TYMHVLVOFZFEAJ-UHFFFAOYSA-N -2 3 369.346 2.468 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1cc(Br)ccc1F)CC(=O)[O-] ZINC000681576916 672676058 /nfs/dbraw/zinc/67/60/58/672676058.db2.gz YSLTVBIIRYRTHD-UHFFFAOYSA-N -2 3 368.224 2.367 20 0 FEADHL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)C[C@H](OC)C(C)C)c1[O-] ZINC000592352821 672790388 /nfs/dbraw/zinc/79/03/88/672790388.db2.gz QVYRJDXYZYTHGS-LBPRGKRZSA-N -2 3 365.835 2.245 20 0 FEADHL COCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000326458526 673053459 /nfs/dbraw/zinc/05/34/59/673053459.db2.gz ASDXARKVOOTUIM-UHFFFAOYSA-N -2 3 351.380 2.097 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(OC)c(OC)c(OC)c2)c1 ZINC000537205212 673383925 /nfs/dbraw/zinc/38/39/25/673383925.db2.gz AQFHSSLYJJCPOV-UHFFFAOYSA-N -2 3 369.395 2.227 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C(=O)[O-])o2)cc1OC ZINC000537476801 673390823 /nfs/dbraw/zinc/39/08/23/673390823.db2.gz ZLJXFVHCEKGIKN-UHFFFAOYSA-N -2 3 368.367 2.000 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC000539400431 673488485 /nfs/dbraw/zinc/48/84/85/673488485.db2.gz OLDXKYNNVQVVAQ-UHFFFAOYSA-N -3 3 362.363 2.381 20 0 FEADHL COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000539400494 673488817 /nfs/dbraw/zinc/48/88/17/673488817.db2.gz LSJHDKNOXWGZMK-UHFFFAOYSA-N -2 3 371.386 2.366 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CCCc2ccccc2)C(=O)[O-])s1 ZINC000548217815 673936277 /nfs/dbraw/zinc/93/62/77/673936277.db2.gz QTGYUHKKJSNBFR-ZDUSSCGKSA-N -2 3 368.480 2.460 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1C ZINC000548525606 673965438 /nfs/dbraw/zinc/96/54/38/673965438.db2.gz GOULPGNEWYLOBL-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL CCc1nc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)ccc1C(=O)[O-] ZINC000548540157 673967901 /nfs/dbraw/zinc/96/79/01/673967901.db2.gz CAAQJAXEAMTJOL-UHFFFAOYSA-N -2 3 374.340 2.238 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1F ZINC000548546311 673969259 /nfs/dbraw/zinc/96/92/59/673969259.db2.gz HODAUQAEGDIUCG-AWEZNQCLSA-N -2 3 373.352 2.387 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(OC)c2)s1 ZINC000548571616 673974455 /nfs/dbraw/zinc/97/44/55/673974455.db2.gz JLACZTGIJMKNTO-LBPRGKRZSA-N -2 3 370.452 2.208 20 0 FEADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(C(=O)[O-])c1 ZINC000548592629 673977829 /nfs/dbraw/zinc/97/78/29/673977829.db2.gz PECZIMRUTBXAFI-UHFFFAOYSA-N -2 3 365.363 2.231 20 0 FEADHL Cc1cccc(C)c1OCCC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000568757459 675398527 /nfs/dbraw/zinc/39/85/27/675398527.db2.gz DUFRSLQJFSWJTD-UHFFFAOYSA-N -2 3 370.452 2.206 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCCC1 ZINC000568825057 675403129 /nfs/dbraw/zinc/40/31/29/675403129.db2.gz VSGCFJLMZPMVNC-UHFFFAOYSA-N -2 3 371.308 2.400 20 0 FEADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1cnc2ccsc2c1 ZINC000826492747 675689461 /nfs/dbraw/zinc/68/94/61/675689461.db2.gz AYQVZFRCLUJBET-UHFFFAOYSA-N -2 3 358.408 2.277 20 0 FEADHL CSc1ccc([O-])c(C(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000830790631 677060789 /nfs/dbraw/zinc/06/07/89/677060789.db2.gz YSZKOHYEOIBACR-AWEZNQCLSA-N -2 3 362.373 2.397 20 0 FEADHL Cc1ccc(CCC[N-]S(=O)(=O)c2csnc2C(=O)[O-])c(C)c1 ZINC000645945581 677275566 /nfs/dbraw/zinc/27/55/66/677275566.db2.gz NZIRHBNMICOOJY-UHFFFAOYSA-N -2 3 354.453 2.369 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000645992073 677276515 /nfs/dbraw/zinc/27/65/15/677276515.db2.gz CODBXTDPLBIBLA-SMDDNHRTSA-N -2 3 373.333 2.065 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C2([C@@H](C)C(=O)[O-])CC2)s1 ZINC000650426088 677373282 /nfs/dbraw/zinc/37/32/82/677373282.db2.gz ASWGAOZSCWXNMN-ZETCQYMHSA-N -2 3 368.274 2.351 20 0 FEADHL CC(C)[C@@H](CNC(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-] ZINC000655872252 677669090 /nfs/dbraw/zinc/66/90/90/677669090.db2.gz OCZMYYSMGSFLQG-SNVBAGLBSA-N -2 3 359.220 2.311 20 0 FEADHL CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1(C)C ZINC000761316857 680719047 /nfs/dbraw/zinc/71/90/47/680719047.db2.gz BNHNPZSNBUCAST-SWLSCSKDSA-N -2 3 363.382 2.145 20 0 FEADHL CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1(C)C ZINC000761316855 680719097 /nfs/dbraw/zinc/71/90/97/680719097.db2.gz BNHNPZSNBUCAST-IUODEOHRSA-N -2 3 363.382 2.145 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2cccc(OC3CC3)c2F)cc1C(=O)[O-] ZINC000656719649 677813374 /nfs/dbraw/zinc/81/33/74/677813374.db2.gz LGVBLGHTYILPEY-UHFFFAOYSA-N -2 3 369.370 2.445 20 0 FEADHL Cc1nc(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)c(-c2ccccc2)s1 ZINC000663285233 678713599 /nfs/dbraw/zinc/71/35/99/678713599.db2.gz DPFAOWNBEUCBSV-STQMWFEESA-N -2 3 364.448 2.426 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)oc1C(=O)[O-] ZINC000663422764 678735125 /nfs/dbraw/zinc/73/51/25/678735125.db2.gz LKXSOUBJOOEZPQ-UKRRQHHQSA-N -2 3 365.407 2.485 20 0 FEADHL COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000663425037 678736217 /nfs/dbraw/zinc/73/62/17/678736217.db2.gz QRCXQJILSUZAHF-NSHDSACASA-N -2 3 367.423 2.452 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCOc3c(C)cccc32)oc1C(=O)[O-] ZINC000663426296 678736687 /nfs/dbraw/zinc/73/66/87/678736687.db2.gz JCBPIKVDRYHVPA-GFCCVEGCSA-N -2 3 351.380 2.397 20 0 FEADHL O=C([O-])[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)C1CCC1 ZINC000665307994 678951545 /nfs/dbraw/zinc/95/15/45/678951545.db2.gz ROXHBSNLBHAYKW-LLVKDONJSA-N -2 3 371.231 2.455 20 0 FEADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000837289185 680581313 /nfs/dbraw/zinc/58/13/13/680581313.db2.gz WAAJBXMUIMBYBY-QMMMGPOBSA-N -2 3 361.807 2.188 20 0 FEADHL Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844896886 681091416 /nfs/dbraw/zinc/09/14/16/681091416.db2.gz ZFLVATOQMYLFBM-SSDOTTSWSA-N -2 3 374.365 2.177 20 0 FEADHL CCCSC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000776482836 681395506 /nfs/dbraw/zinc/39/55/06/681395506.db2.gz AKHBZZZAJBOYDN-SSDOTTSWSA-N -2 3 373.283 2.263 20 0 FEADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776634012 681420479 /nfs/dbraw/zinc/42/04/79/681420479.db2.gz GUTKTVOXHPORBC-PELKAZGASA-N -2 3 353.227 2.310 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(F)ccc2C(C)=O)ccc1[O-] ZINC000783872439 682183661 /nfs/dbraw/zinc/18/36/61/682183661.db2.gz DTVNJVRIWFMJGA-UHFFFAOYSA-N -2 3 366.370 2.493 20 0 FEADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCCCC(F)(F)F ZINC000852735046 682330789 /nfs/dbraw/zinc/33/07/89/682330789.db2.gz DVIJQYDGEPDSLQ-BDAKNGLRSA-N -2 3 364.286 2.315 20 0 FEADHL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000853069157 682370657 /nfs/dbraw/zinc/37/06/57/682370657.db2.gz KOVPJDQSSSENRD-MRVPVSSYSA-N -2 3 369.292 2.176 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)c(Cl)n1 ZINC000853071968 682371781 /nfs/dbraw/zinc/37/17/81/682371781.db2.gz WLBRUBMMIVREHW-MRVPVSSYSA-N -2 3 374.768 2.365 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)c[n-]1 ZINC000789739573 682628382 /nfs/dbraw/zinc/62/83/82/682628382.db2.gz KSVUAXLZCFCGAQ-UHFFFAOYSA-N -2 3 365.198 2.089 20 0 FEADHL C[C@@H]1CC[C@@H](C(=O)[O-])C[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000871772686 684854561 /nfs/dbraw/zinc/85/45/61/684854561.db2.gz YIGOAPSKYBXMAH-FXPVBKGRSA-N -2 3 366.361 2.268 20 0 FEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@H]2C=CCC2)s1 ZINC000871982146 684903226 /nfs/dbraw/zinc/90/32/26/684903226.db2.gz CFLADUWVPIUTGN-LURJTMIESA-N -2 3 352.231 2.206 20 0 FEADHL O=C(CSc1n[n-]c(=S)s1)NCCc1c(F)cc([O-])cc1F ZINC000886266735 688222694 /nfs/dbraw/zinc/22/26/94/688222694.db2.gz XBCMUJNUFGENAQ-UHFFFAOYSA-N -2 3 363.436 2.262 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000899953168 690448827 /nfs/dbraw/zinc/44/88/27/690448827.db2.gz BFXOLJZKNGTMDN-NSHDSACASA-N -2 3 358.416 2.127 20 0 FEADHL C[C@H]1COC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000903886785 690983368 /nfs/dbraw/zinc/98/33/68/690983368.db2.gz SUPNTLKGDKSLNM-IMTBSYHQSA-N -2 3 354.211 2.005 20 0 FEADHL O=C([O-])[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000905999827 691209678 /nfs/dbraw/zinc/20/96/78/691209678.db2.gz FYSKOWPLLMHAMT-WCBMZHEXSA-N -2 3 368.238 2.294 20 0 FEADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1 ZINC000031665082 539915702 /nfs/dbraw/zinc/91/57/02/539915702.db2.gz DPGVQHHAJKERBS-UHFFFAOYSA-N -2 3 364.379 2.158 20 0 FEADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000034936921 539978376 /nfs/dbraw/zinc/97/83/76/539978376.db2.gz MIHMQHQVSRYTOI-JTQLQIEISA-N -2 3 370.652 2.490 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1[N-]S(C)(=O)=O ZINC000044259393 540122010 /nfs/dbraw/zinc/12/20/10/540122010.db2.gz CACUJZLSKSADHT-UHFFFAOYSA-N -2 3 370.452 2.176 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1F ZINC000045947259 540235327 /nfs/dbraw/zinc/23/53/27/540235327.db2.gz KFKJLAMOYZBWNW-UHFFFAOYSA-N -2 3 355.343 2.347 20 0 FEADHL CCOc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)OC)c1 ZINC000047521724 540316312 /nfs/dbraw/zinc/31/63/12/540316312.db2.gz NSJXZRTXLCHHOO-UHFFFAOYSA-N -2 3 351.380 2.378 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2OC)ccc1[O-] ZINC000055584002 540661757 /nfs/dbraw/zinc/66/17/57/540661757.db2.gz TVNCUFDUKNSCPV-UHFFFAOYSA-N -2 3 355.343 2.127 20 0 FEADHL Cc1c2cc(F)ccc2oc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000057268512 540783754 /nfs/dbraw/zinc/78/37/54/540783754.db2.gz VMEVCFJDHCCJJL-UHFFFAOYSA-N -2 3 370.387 2.356 20 0 FEADHL O=C([O-])c1ccc(Br)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000063155543 541158040 /nfs/dbraw/zinc/15/80/40/541158040.db2.gz FPBFHHZEFRKONJ-SECBINFHSA-N -2 3 364.217 2.068 20 0 FEADHL O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000063155621 541158238 /nfs/dbraw/zinc/15/82/38/541158238.db2.gz KDLXSTWTAVPGBB-SECBINFHSA-N -2 3 364.217 2.068 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])co1 ZINC000130892963 544169628 /nfs/dbraw/zinc/16/96/28/544169628.db2.gz KEMYICOGUVHWDE-UHFFFAOYSA-N -2 3 364.301 2.164 20 0 FEADHL Cc1cccc2cc(C(=O)[N-]c3nnc([N-]S(C)(=O)=O)s3)oc21 ZINC000140780236 544410292 /nfs/dbraw/zinc/41/02/92/544410292.db2.gz IVBPVDNWRHXEJP-UHFFFAOYSA-N -2 3 352.397 2.217 20 0 FEADHL O=C(CCn1c(=O)c2ccccc2[n-]c1=S)[N-]OCCC(F)(F)F ZINC000154888743 544962288 /nfs/dbraw/zinc/96/22/88/544962288.db2.gz POBMHZTVOOWRSX-UHFFFAOYSA-N -2 3 361.345 2.076 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)c1 ZINC000553484023 674265116 /nfs/dbraw/zinc/26/51/16/674265116.db2.gz DGBLVMQDSWIDNU-UHFFFAOYSA-N -2 3 366.420 2.246 20 0 FEADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230099196 328486205 /nfs/dbraw/zinc/48/62/05/328486205.db2.gz ZRJKHNBIHSJRFA-SSDOTTSWSA-N -2 3 354.197 2.120 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCSC2)cc(F)c1Cl ZINC000169172491 327088080 /nfs/dbraw/zinc/08/80/80/327088080.db2.gz LKCDSYLYGLYVJS-SSDOTTSWSA-N -2 3 353.824 2.351 20 0 FEADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000266989302 329280561 /nfs/dbraw/zinc/28/05/61/329280561.db2.gz IQYUYTOCRLGKQI-UHFFFAOYSA-N -2 3 353.386 2.221 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1C(F)(F)F ZINC000269282730 329503583 /nfs/dbraw/zinc/50/35/83/329503583.db2.gz GTHJMLCSXYNGOR-SECBINFHSA-N -2 3 353.318 2.324 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)c1ccc(C)o1 ZINC000273667804 329883067 /nfs/dbraw/zinc/88/30/67/329883067.db2.gz IXUYPMSMSNAWJJ-ZDUSSCGKSA-N -2 3 357.359 2.091 20 0 FEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCOC2)c1 ZINC000273706984 329885201 /nfs/dbraw/zinc/88/52/01/329885201.db2.gz OMHVOKHZUTXSKF-ZETCQYMHSA-N -2 3 354.211 2.006 20 0 FEADHL O=C([O-])c1cc([N-]S(=O)(=O)[C@@H]2CCCOC2)ccc1Br ZINC000275310114 330033528 /nfs/dbraw/zinc/03/35/28/330033528.db2.gz RFLKYGWZJVKTLY-SECBINFHSA-N -2 3 364.217 2.068 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])s1 ZINC000275324578 330035133 /nfs/dbraw/zinc/03/51/33/330035133.db2.gz SSFUENXYUYTVLE-UHFFFAOYSA-N -2 3 356.263 2.208 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](Oc2ccccc2)C(=O)[O-])cc1F ZINC000555425717 674361283 /nfs/dbraw/zinc/36/12/83/674361283.db2.gz BBOHUELGYPPJSN-AWEZNQCLSA-N -2 3 371.361 2.084 20 0 FEADHL O=C([N-]c1n[n-]c(SCCO)n1)c1ncoc1-c1ccccc1Cl ZINC000155355188 545516703 /nfs/dbraw/zinc/51/67/03/545516703.db2.gz DRZNNLQLFFQUCC-UHFFFAOYSA-N -2 3 365.802 2.450 20 0 FEADHL COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000477403858 561144114 /nfs/dbraw/zinc/14/41/14/561144114.db2.gz UZYXHKSOECUGOX-UHFFFAOYSA-N -2 3 363.391 2.210 20 0 FEADHL Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1)OCO2 ZINC000479278406 561186402 /nfs/dbraw/zinc/18/64/02/561186402.db2.gz JISILDPDKUITJD-UHFFFAOYSA-N -2 3 353.327 2.362 20 0 FEADHL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000481582736 561236588 /nfs/dbraw/zinc/23/65/88/561236588.db2.gz TZSOCSJHPDFATR-UHFFFAOYSA-N -2 3 372.349 2.438 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(F)c2)c(F)c1 ZINC000185003220 547915292 /nfs/dbraw/zinc/91/52/92/547915292.db2.gz IYNNWWJOKAVRPS-JSGCOSHPSA-N -2 3 353.346 2.497 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C1CC1 ZINC000236436702 548767416 /nfs/dbraw/zinc/76/74/16/548767416.db2.gz LKWPUUOCYDGAJB-SNVBAGLBSA-N -2 3 368.636 2.244 20 0 FEADHL CCC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000262286510 549806403 /nfs/dbraw/zinc/80/64/03/549806403.db2.gz XQXCSWKKYQOUIP-MRVPVSSYSA-N -2 3 354.197 2.120 20 0 FEADHL O=C([O-])CCN1CC[C@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000262292422 549807040 /nfs/dbraw/zinc/80/70/40/549807040.db2.gz HRTXGNCOYDDGCR-OLZOCXBDSA-N -2 3 362.323 2.137 20 0 FEADHL C[C@@]1(C(=O)[O-])CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000263220550 549886675 /nfs/dbraw/zinc/88/66/75/549886675.db2.gz KMXDKWVEJIOOLS-CQSZACIVSA-N -2 3 357.204 2.161 20 0 FEADHL CSCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000281979676 551165325 /nfs/dbraw/zinc/16/53/25/551165325.db2.gz MLGQZDHZNXCREN-SECBINFHSA-N -2 3 358.268 2.478 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2(O)CCC2)c(Cl)cc1Cl ZINC000283803284 551429705 /nfs/dbraw/zinc/42/97/05/551429705.db2.gz ASKCCVQODUPTBN-UHFFFAOYSA-N -2 3 368.238 2.275 20 0 FEADHL COc1cc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)ccc1F ZINC000284932089 551670456 /nfs/dbraw/zinc/67/04/56/551670456.db2.gz CJIDRSLXEVREAR-QMMMGPOBSA-N -2 3 373.324 2.156 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2noc3c2CCCC3)c(F)cc1F ZINC000287343815 551992220 /nfs/dbraw/zinc/99/22/20/551992220.db2.gz WXDLMSMHMZYGJZ-UHFFFAOYSA-N -2 3 372.349 2.008 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CCC(=O)[O-])c(C)o1 ZINC000297359818 553283218 /nfs/dbraw/zinc/28/32/18/553283218.db2.gz ZVFSRJRDPJYGJV-NWDGAFQWSA-N -2 3 373.427 2.077 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1F ZINC000504506625 561659038 /nfs/dbraw/zinc/65/90/38/561659038.db2.gz CFRBIVYHSUQCOM-UHFFFAOYSA-N -2 3 369.370 2.489 20 0 FEADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(OC)c1OC ZINC000504713209 561661693 /nfs/dbraw/zinc/66/16/93/561661693.db2.gz VBCQYZXEJQCFSP-VURMDHGXSA-N -2 3 360.366 2.314 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000324919468 553774381 /nfs/dbraw/zinc/77/43/81/553774381.db2.gz UJUCWMASYCHGNA-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c(C)c1 ZINC000325016288 553774858 /nfs/dbraw/zinc/77/48/58/553774858.db2.gz GWGFLOMQLIUJCP-UHFFFAOYSA-N -2 3 351.380 2.268 20 0 FEADHL O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000325893105 553778321 /nfs/dbraw/zinc/77/83/21/553778321.db2.gz MFSKVZGJTTZHDF-AWEZNQCLSA-N -2 3 355.362 2.329 20 0 FEADHL COC(=O)c1cccc(CS(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000327667064 553790523 /nfs/dbraw/zinc/79/05/23/553790523.db2.gz ARJKECWIOXIUND-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL Cc1ccc(-c2cc(=NC(=O)[C@H]([N-]S(=O)(=O)C3CC3)C(C)C)[nH][n-]2)o1 ZINC000616823030 555343046 /nfs/dbraw/zinc/34/30/46/555343046.db2.gz FVPXJEMQMFYLNA-OAHLLOKOSA-N -2 3 366.443 2.023 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)c(C)c1C(=O)[O-] ZINC000512785572 561915179 /nfs/dbraw/zinc/91/51/79/561915179.db2.gz LEHBRQCJIOZTDN-UHFFFAOYSA-N -2 3 366.370 2.040 20 0 FEADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c3cccc(F)c3)cn21 ZINC000515519878 562013901 /nfs/dbraw/zinc/01/39/01/562013901.db2.gz ZRESPAJRLZKIEW-ZUZCIYMTSA-N -2 3 367.402 2.024 20 0 FEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCc1ccc(F)cc1C ZINC000516766425 562057071 /nfs/dbraw/zinc/05/70/71/562057071.db2.gz UNJJRRWOULGJOT-UHFFFAOYSA-N -2 3 373.427 2.423 20 0 FEADHL CC(C)n1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000517005283 562070355 /nfs/dbraw/zinc/07/03/55/562070355.db2.gz JCNKKIBQJPDYSZ-ZDUSSCGKSA-N -2 3 357.819 2.222 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCO3)cc1C(=O)[O-] ZINC000373903912 557783347 /nfs/dbraw/zinc/78/33/47/557783347.db2.gz FUQOURGUIPIBCW-UHFFFAOYSA-N -2 3 361.375 2.459 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C1CC1 ZINC000381647695 558603603 /nfs/dbraw/zinc/60/36/03/558603603.db2.gz IBUCNNUOARLBEY-VIFPVBQESA-N -2 3 368.636 2.244 20 0 FEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000390256711 558611157 /nfs/dbraw/zinc/61/11/57/558611157.db2.gz NMHUBPOHROBZJL-UHFFFAOYSA-N -2 3 366.342 2.339 20 0 FEADHL CCn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1=O ZINC000391945373 558615262 /nfs/dbraw/zinc/61/52/62/558615262.db2.gz CXRDXPGJSCUWIE-UHFFFAOYSA-N -2 3 356.787 2.021 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)sc1Br ZINC000399203804 558627688 /nfs/dbraw/zinc/62/76/88/558627688.db2.gz MKRPVGSCTZYBBC-VIFPVBQESA-N -2 3 368.274 2.351 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@H]2CCOC(C)(C)C2)c1 ZINC000414344974 559157447 /nfs/dbraw/zinc/15/74/47/559157447.db2.gz KTGROZXMTBNIKB-NSHDSACASA-N -2 3 359.419 2.316 20 0 FEADHL COc1ccc(Br)cc1C1(C(=O)N=c2ccc([O-])n[n-]2)CC1 ZINC000415468541 559240497 /nfs/dbraw/zinc/24/04/97/559240497.db2.gz YNQTZHIIYPSUBM-UHFFFAOYSA-N -2 3 364.199 2.624 20 0 FEADHL CCN=c1[n-]c(C(=O)NCc2ccc([O-])c(Br)c2)cs1 ZINC000427112062 559748137 /nfs/dbraw/zinc/74/81/37/559748137.db2.gz YOFZINKRGGNITG-UHFFFAOYSA-N -2 3 356.245 2.973 20 0 FEADHL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cnn1-c1ccccc1 ZINC000435146163 559917248 /nfs/dbraw/zinc/91/72/48/559917248.db2.gz XHJHZKZPZPMLGO-UHFFFAOYSA-N -3 3 373.390 2.385 20 0 FEADHL CC(C)(NC(=O)c1cc(OCc2ccccc2)ccc1[O-])c1nnn[n-]1 ZINC000436584405 559945997 /nfs/dbraw/zinc/94/59/97/559945997.db2.gz MIUNUBDMRCFSQP-UHFFFAOYSA-N -2 3 353.382 2.149 20 0 FEADHL CC(C)(NC(=O)c1cc(OCc2ccccc2)ccc1[O-])c1nn[n-]n1 ZINC000436584405 559945998 /nfs/dbraw/zinc/94/59/98/559945998.db2.gz MIUNUBDMRCFSQP-UHFFFAOYSA-N -2 3 353.382 2.149 20 0 FEADHL CC(=O)c1ccc([O-])c(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC000436677519 559948507 /nfs/dbraw/zinc/94/85/07/559948507.db2.gz DGOADBTWNAFLHB-UHFFFAOYSA-N -2 3 356.378 2.367 20 0 FEADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2CCc3cc(F)c(F)cc32)c1 ZINC000436718068 559949949 /nfs/dbraw/zinc/94/99/49/559949949.db2.gz DAWFSWFUSZXQSR-UHFFFAOYSA-N -2 3 369.345 2.428 20 0 FEADHL COc1cccc(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)c1[O-] ZINC000436816830 559953076 /nfs/dbraw/zinc/95/30/76/559953076.db2.gz GJQQQILJUBJRFB-UHFFFAOYSA-N -2 3 366.395 2.033 20 0 FEADHL CC(C)c1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c([O-])c1 ZINC000436869711 559954935 /nfs/dbraw/zinc/95/49/35/559954935.db2.gz KRVGMECTQUNATM-UHFFFAOYSA-N -2 3 350.396 2.121 20 0 FEADHL O=C(NCc1ncccc1[O-])c1cc(I)ccc1[O-] ZINC000437007087 559959337 /nfs/dbraw/zinc/95/93/37/559959337.db2.gz ZUHQCKKLHDXRAV-UHFFFAOYSA-N -2 3 370.146 2.027 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1cnccc1C(F)(F)F ZINC000442843476 560059501 /nfs/dbraw/zinc/05/95/01/560059501.db2.gz PZKUIUPBUBRMNJ-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cnccc1C(F)(F)F ZINC000442843476 560059503 /nfs/dbraw/zinc/05/95/03/560059503.db2.gz PZKUIUPBUBRMNJ-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL Cc1nc(C=Cc2cccc(OCC(=O)[O-])c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443455874 560084384 /nfs/dbraw/zinc/08/43/84/560084384.db2.gz QWRAZJBGXVFXFC-FNORWQNLSA-N -3 3 358.350 2.142 20 0 FEADHL O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000467944073 560919934 /nfs/dbraw/zinc/91/99/34/560919934.db2.gz STXUBELDMQPRQJ-OAHLLOKOSA-N -2 3 350.382 2.206 20 0 FEADHL CCCN(C)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000471963011 561015170 /nfs/dbraw/zinc/01/51/70/561015170.db2.gz BXNJVQIGNAZHNR-UHFFFAOYSA-N -2 3 356.322 2.282 20 0 FEADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2[O-])o1 ZINC000530005621 562394261 /nfs/dbraw/zinc/39/42/61/562394261.db2.gz JOLLKHBFFOKWMP-UHFFFAOYSA-N -2 3 356.375 2.453 20 0 FEADHL CC[C@@H](CS(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-])OC ZINC000530148593 562399910 /nfs/dbraw/zinc/39/99/10/562399910.db2.gz HZKMEJDJNOXYQR-QMMMGPOBSA-N -2 3 366.233 2.314 20 0 FEADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC000530339180 562407437 /nfs/dbraw/zinc/40/74/37/562407437.db2.gz KMDIKUBAFDGWNJ-LLVKDONJSA-N -2 3 362.379 2.142 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(C)c1OCC(=O)[O-] ZINC000535766165 562567369 /nfs/dbraw/zinc/56/73/69/562567369.db2.gz UBTOLNMVDFPMSD-UHFFFAOYSA-N -3 3 369.370 2.412 20 0 FEADHL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737613379 598843952 /nfs/dbraw/zinc/84/39/52/598843952.db2.gz NBLPMKBLJNIQBM-UHFFFAOYSA-N -2 3 372.385 2.298 20 0 FEADHL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737613379 598843955 /nfs/dbraw/zinc/84/39/55/598843955.db2.gz NBLPMKBLJNIQBM-UHFFFAOYSA-N -2 3 372.385 2.298 20 0 FEADHL CC(C)c1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000735939232 598908940 /nfs/dbraw/zinc/90/89/40/598908940.db2.gz LUPIAYWXNDZLCK-UHFFFAOYSA-N -2 3 368.419 2.387 20 0 FEADHL CC(C)c1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000735939232 598908942 /nfs/dbraw/zinc/90/89/42/598908942.db2.gz LUPIAYWXNDZLCK-UHFFFAOYSA-N -2 3 368.419 2.387 20 0 FEADHL CSc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cn1 ZINC000737189083 599029614 /nfs/dbraw/zinc/02/96/14/599029614.db2.gz DBUKYWNVNOYKTO-UHFFFAOYSA-N -2 3 362.440 2.093 20 0 FEADHL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736436587 599245590 /nfs/dbraw/zinc/24/55/90/599245590.db2.gz DQKUIYZAWBXZSO-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736436587 599245592 /nfs/dbraw/zinc/24/55/92/599245592.db2.gz DQKUIYZAWBXZSO-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c(C)s1 ZINC000737282593 598593595 /nfs/dbraw/zinc/59/35/95/598593595.db2.gz GMPSHFNADXWTQI-UHFFFAOYSA-N -2 3 353.404 2.485 20 0 FEADHL Cc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737435675 598607585 /nfs/dbraw/zinc/60/75/85/598607585.db2.gz HSTMSMVIHOCERX-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737435675 598607587 /nfs/dbraw/zinc/60/75/87/598607587.db2.gz HSTMSMVIHOCERX-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL C[C@@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736617910 599774313 /nfs/dbraw/zinc/77/43/13/599774313.db2.gz XXTTVVSZWAKHCI-QMMMGPOBSA-N -2 3 361.322 2.002 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2F)c(C(=O)[O-])s1 ZINC000737682276 599814556 /nfs/dbraw/zinc/81/45/56/599814556.db2.gz YSWJXFQMJWKELK-UHFFFAOYSA-N -2 3 373.383 2.481 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)Nc2ccc(CC(=O)[O-])cc2)c([O-])c1 ZINC000738515393 599815964 /nfs/dbraw/zinc/81/59/64/599815964.db2.gz XXXHJZXFYRGXDE-UHFFFAOYSA-N -2 3 356.378 2.086 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)Cc1cccc(F)c1 ZINC000739504516 599979952 /nfs/dbraw/zinc/97/99/52/599979952.db2.gz ZJICBGRQRUYQEY-LLVKDONJSA-N -2 3 373.352 2.326 20 0 FEADHL CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000736164782 599983191 /nfs/dbraw/zinc/98/31/91/599983191.db2.gz DQUCYXCCMCYCKT-CYBMUJFWSA-N -2 3 374.368 2.163 20 0 FEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(F)c1 ZINC000737699728 600170086 /nfs/dbraw/zinc/17/00/86/600170086.db2.gz KCJNLQSUPUGNDZ-UHFFFAOYSA-N -2 3 353.327 2.111 20 0 FEADHL C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736764510 600632562 /nfs/dbraw/zinc/63/25/62/600632562.db2.gz GCURFTAUQBTYHQ-RNFRBKRXSA-N -2 3 366.208 2.221 20 0 FEADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000794913666 600765123 /nfs/dbraw/zinc/76/51/23/600765123.db2.gz DJZQLWXMWUJSCN-QMMMGPOBSA-N -2 3 355.243 2.414 20 0 FEADHL CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000829630440 601585663 /nfs/dbraw/zinc/58/56/63/601585663.db2.gz DVDYZZHMZQBTSA-UHFFFAOYSA-N -2 3 356.375 2.115 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@](C)(C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000832991115 601861535 /nfs/dbraw/zinc/86/15/35/601861535.db2.gz MYIKJSKWNLNEMQ-SFHVURJKSA-N -2 3 356.382 2.486 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc(C(=O)[O-])c1F ZINC000763274927 601983215 /nfs/dbraw/zinc/98/32/15/601983215.db2.gz NWNKZIWMXXXCQU-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL CC(C)C[C@H](NC(=O)[O-])c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000738814940 602407415 /nfs/dbraw/zinc/40/74/15/602407415.db2.gz DPVMTLBTQMVHOW-LBPRGKRZSA-N -2 3 368.415 2.463 20 0 FEADHL Cc1ccc(-c2nc([N-]C(=O)c3csc(CNC(=O)[O-])n3)n[nH]2)cc1 ZINC000740095027 602714860 /nfs/dbraw/zinc/71/48/60/602714860.db2.gz ATXVVDQDVYETKB-UHFFFAOYSA-N -2 3 358.383 2.257 20 0 FEADHL O=C([O-])N(CC(=O)Nc1ccc(Br)cc1[O-])C[C@@H]1CCCO1 ZINC000740365230 602846281 /nfs/dbraw/zinc/84/62/81/602846281.db2.gz MFQOADLZTGPCAX-JTQLQIEISA-N -2 3 373.203 2.252 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H]3CCCN3C(=O)[O-])cc2)n1 ZINC000829894213 603410617 /nfs/dbraw/zinc/41/06/17/603410617.db2.gz ONMDFHNGJQCALD-AWEZNQCLSA-N -2 3 356.382 2.216 20 0 FEADHL O=C([O-])N1CCC[C@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)C1 ZINC000831806011 603736154 /nfs/dbraw/zinc/73/61/54/603736154.db2.gz JKAKEVXXAXGKBW-QMMMGPOBSA-N -2 3 351.313 2.078 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@]3(C)CCN(C(=O)[O-])C3)cc2)n1 ZINC000829893385 603896828 /nfs/dbraw/zinc/89/68/28/603896828.db2.gz GSEPVPHSWAYUBU-GOSISDBHSA-N -2 3 356.382 2.074 20 0 FEADHL CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccsc2C(=O)[O-])c1C ZINC000829869975 604356187 /nfs/dbraw/zinc/35/61/87/604356187.db2.gz XYGYAWAGHZESCJ-UHFFFAOYSA-N -2 3 373.408 2.336 20 0 FEADHL C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000827597101 604395357 /nfs/dbraw/zinc/39/53/57/604395357.db2.gz LLNNHPMLEFABNO-VIFPVBQESA-N -2 3 366.420 2.497 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CNC(=O)[O-])C1CC1 ZINC000829884099 604479682 /nfs/dbraw/zinc/47/96/82/604479682.db2.gz MGXHGNWYWHSFQD-LBPRGKRZSA-N -2 3 356.375 2.205 20 0 FEADHL C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@@H]1C(=O)[O-] ZINC000828361998 604539446 /nfs/dbraw/zinc/53/94/46/604539446.db2.gz NQSRDEOAGROSPL-SCZZXKLOSA-N -2 3 357.204 2.017 20 0 FEADHL CN(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ccn1 ZINC000833691737 604989876 /nfs/dbraw/zinc/98/98/76/604989876.db2.gz VDIIZKBVOZUMRQ-UHFFFAOYSA-N -2 3 355.803 2.300 20 0 FEADHL COC(=O)c1cccc2[n-]c(NC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)nc21 ZINC000833716824 605058930 /nfs/dbraw/zinc/05/89/30/605058930.db2.gz RHINYJYYBLRYCH-UHFFFAOYSA-N -2 3 356.338 2.245 20 0 FEADHL O=C([O-])N1CCC[C@@H](C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000831715063 605415729 /nfs/dbraw/zinc/41/57/29/605415729.db2.gz LRQUNJACRVIJOF-SNVBAGLBSA-N -2 3 357.204 2.161 20 0 FEADHL O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000834105050 605645049 /nfs/dbraw/zinc/64/50/49/605645049.db2.gz FPGDKKMXMVBJDI-QWHCGFSZSA-N -2 3 362.382 2.258 20 0 FEADHL O=C([O-])N1CCCC[C@@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000831715796 605881760 /nfs/dbraw/zinc/88/17/60/605881760.db2.gz YSZCROHASVXTEF-LLVKDONJSA-N -2 3 357.204 2.303 20 0 FEADHL O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1ccc2[n-]c(=S)oc2c1 ZINC000823241683 606024339 /nfs/dbraw/zinc/02/43/39/606024339.db2.gz BSPNXOCQUKNJNJ-UHFFFAOYSA-N -2 3 370.369 2.366 20 0 FEADHL O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc2[n-]c(=S)oc2c1 ZINC000823241683 606024344 /nfs/dbraw/zinc/02/43/44/606024344.db2.gz BSPNXOCQUKNJNJ-UHFFFAOYSA-N -2 3 370.369 2.366 20 0 FEADHL O=S(=O)([N-]c1ccccc1O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823589080 606206871 /nfs/dbraw/zinc/20/68/71/606206871.db2.gz MDYNLGQMRXOFEI-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=S(=O)([N-]c1ccccc1O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823589080 606206873 /nfs/dbraw/zinc/20/68/73/606206873.db2.gz MDYNLGQMRXOFEI-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c1 ZINC000822332324 606820712 /nfs/dbraw/zinc/82/07/12/606820712.db2.gz ONFMDYIUQROFJG-UHFFFAOYSA-N -2 3 358.427 2.042 20 0 FEADHL Cc1nc(C)c([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)s1 ZINC000822431880 606866991 /nfs/dbraw/zinc/86/69/91/606866991.db2.gz NKOFMYZNFZHMMQ-UHFFFAOYSA-N -2 3 372.382 2.019 20 0 FEADHL Cc1nc(C)c([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000822431880 606866992 /nfs/dbraw/zinc/86/69/92/606866992.db2.gz NKOFMYZNFZHMMQ-UHFFFAOYSA-N -2 3 372.382 2.019 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821910595 607154141 /nfs/dbraw/zinc/15/41/41/607154141.db2.gz DSCKKCWLJFNJQW-UHFFFAOYSA-N -2 3 371.831 2.391 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821910595 607154142 /nfs/dbraw/zinc/15/41/42/607154142.db2.gz DSCKKCWLJFNJQW-UHFFFAOYSA-N -2 3 371.831 2.391 20 0 FEADHL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)Nc1ccc(F)cc1[O-] ZINC000822010177 607159708 /nfs/dbraw/zinc/15/97/08/607159708.db2.gz QVZCDWKUKYOGQA-UHFFFAOYSA-N -2 3 372.360 2.000 20 0 FEADHL Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)Nc1ccc(F)cc1[O-] ZINC000822010177 607159710 /nfs/dbraw/zinc/15/97/10/607159710.db2.gz QVZCDWKUKYOGQA-UHFFFAOYSA-N -2 3 372.360 2.000 20 0 FEADHL CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000824377815 607816702 /nfs/dbraw/zinc/81/67/02/607816702.db2.gz NZAYVXQCLOPTDH-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2Cl)c1 ZINC000824377868 607816805 /nfs/dbraw/zinc/81/68/05/607816805.db2.gz QBVQSZMDVUAYEO-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826492848 607817363 /nfs/dbraw/zinc/81/73/63/607817363.db2.gz HXZLLIZZTONGFC-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826492848 607817364 /nfs/dbraw/zinc/81/73/64/607817364.db2.gz HXZLLIZZTONGFC-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=C([N-]c1nc(-c2cccnc2)ns1)c1sccc1-c1nn[n-]n1 ZINC000826460065 607928168 /nfs/dbraw/zinc/92/81/68/607928168.db2.gz LMQQOAAXZYHDSX-UHFFFAOYSA-N -2 3 356.396 2.094 20 0 FEADHL CCCC(=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)CCC ZINC000825220210 608193682 /nfs/dbraw/zinc/19/36/82/608193682.db2.gz QKJPFDLLTATDBX-UHFFFAOYSA-N -2 3 363.443 2.198 20 0 FEADHL CCCC(=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)CCC ZINC000825220210 608193685 /nfs/dbraw/zinc/19/36/85/608193685.db2.gz QKJPFDLLTATDBX-UHFFFAOYSA-N -2 3 363.443 2.198 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2ccc(-c3nnn[n-]3)cc2)c(C(=O)[O-])c1 ZINC000825564898 608666823 /nfs/dbraw/zinc/66/68/23/608666823.db2.gz ICRWPESHDKSPBU-YVMONPNESA-N -2 3 365.349 2.307 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2ccc(-c3nn[n-]n3)cc2)c(C(=O)[O-])c1 ZINC000825564898 608666824 /nfs/dbraw/zinc/66/68/24/608666824.db2.gz ICRWPESHDKSPBU-YVMONPNESA-N -2 3 365.349 2.307 20 0 FEADHL CCc1ccccc1S(=O)(=O)[N-]c1cccc(F)c1S(=O)(=O)[N-]C ZINC000564138212 674977202 /nfs/dbraw/zinc/97/72/02/674977202.db2.gz ZXHNXWDFYIFSQE-UHFFFAOYSA-N -2 3 372.443 2.097 20 0 FEADHL O=C([N-][N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccn1 ZINC000020626938 670030740 /nfs/dbraw/zinc/03/07/40/670030740.db2.gz RKMGRLWDSMBKOC-UHFFFAOYSA-N -2 3 352.224 2.073 20 0 FEADHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccc2F)cc1Cl ZINC000032586597 670130234 /nfs/dbraw/zinc/13/02/34/670130234.db2.gz DMHREGSXMYBZBI-UHFFFAOYSA-N -2 3 358.778 2.111 20 0 FEADHL COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000057125486 670366593 /nfs/dbraw/zinc/36/65/93/670366593.db2.gz ZLHZUBGOHVNESO-UHFFFAOYSA-N -2 3 364.379 2.388 20 0 FEADHL COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000571519104 670885365 /nfs/dbraw/zinc/88/53/65/670885365.db2.gz IUQVKUBDDJPTDN-LLVKDONJSA-N -2 3 353.396 2.144 20 0 FEADHL O=C([O-])COc1ccc(C=C2SC(=O)[N-]C2=O)cc1Br ZINC000115662336 670898747 /nfs/dbraw/zinc/89/87/47/670898747.db2.gz CRROFCAJRAVIET-RUDMXATFSA-N -2 3 358.169 2.236 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCC1 ZINC000572024540 670952559 /nfs/dbraw/zinc/95/25/59/670952559.db2.gz GHZRWNDPVXIJAW-UHFFFAOYSA-N -2 3 355.309 2.378 20 0 FEADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000574101762 671202203 /nfs/dbraw/zinc/20/22/03/671202203.db2.gz FESJHCHNUSPRBI-SNVBAGLBSA-N -2 3 354.350 2.268 20 0 FEADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000575634923 671315544 /nfs/dbraw/zinc/31/55/44/671315544.db2.gz GMLCPTWZIAKTTA-SCSAIBSYSA-N -2 3 353.290 2.154 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CC2)cc1C(=O)[O-] ZINC000566179504 675190987 /nfs/dbraw/zinc/19/09/87/675190987.db2.gz PFDAACKCXGVAMR-UHFFFAOYSA-N -2 3 353.371 2.435 20 0 FEADHL COCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)c1ccc(C)o1 ZINC000576462130 671370588 /nfs/dbraw/zinc/37/05/88/671370588.db2.gz VTKKBVOCHFOXQF-NSHDSACASA-N -2 3 357.384 2.244 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c[n-]1 ZINC000585730842 672227750 /nfs/dbraw/zinc/22/77/50/672227750.db2.gz GOBGMUGMUJZQDA-UHFFFAOYSA-N -2 3 365.411 2.101 20 0 FEADHL Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2cc(C)cc(Br)c2)o1 ZINC000188468604 672591063 /nfs/dbraw/zinc/59/10/63/672591063.db2.gz WRTCQMBCQHVONS-UHFFFAOYSA-N -2 3 373.228 2.282 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c1F ZINC000313217527 673029382 /nfs/dbraw/zinc/02/93/82/673029382.db2.gz MKBGQOWGXMBCBZ-SECBINFHSA-N -2 3 357.325 2.456 20 0 FEADHL Cc1oc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1C(=O)[O-] ZINC000322143255 673041608 /nfs/dbraw/zinc/04/16/08/673041608.db2.gz WZQSJHXFWQERJC-UHFFFAOYSA-N -2 3 354.771 2.290 20 0 FEADHL COCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)c1 ZINC000538137115 673423828 /nfs/dbraw/zinc/42/38/28/673423828.db2.gz SJEKAWYCIYQTTH-UHFFFAOYSA-N -2 3 365.407 2.270 20 0 FEADHL COCc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000540337966 673534622 /nfs/dbraw/zinc/53/46/22/673534622.db2.gz HOMPAOJERNUGGR-UHFFFAOYSA-N -2 3 370.452 2.005 20 0 FEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000614743344 676189266 /nfs/dbraw/zinc/18/92/66/676189266.db2.gz KJVAEMAOOFEJSR-UHFFFAOYSA-N -3 3 363.391 2.430 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2C)C(=O)[O-])s1 ZINC000548216649 673936117 /nfs/dbraw/zinc/93/61/17/673936117.db2.gz JRNRZZRVJNVCEZ-ZDUSSCGKSA-N -2 3 368.480 2.236 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccc(F)c1 ZINC000548246974 673942172 /nfs/dbraw/zinc/94/21/72/673942172.db2.gz IUFDEXAGJCVZEB-ZDUSSCGKSA-N -2 3 363.288 2.347 20 0 FEADHL C[C@@H]1CCC[C@]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)(C(=O)[O-])C1 ZINC000548836902 673999957 /nfs/dbraw/zinc/99/99/57/673999957.db2.gz AVUHMGUFPKFEGT-NOZJJQNGSA-N -2 3 366.361 2.412 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@H](C)C(=O)[O-] ZINC000654786086 677603112 /nfs/dbraw/zinc/60/31/12/677603112.db2.gz HNQNGZGKCWNPPH-BQBZGAKWSA-N -2 3 370.652 2.490 20 0 FEADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c1 ZINC000825039308 675634729 /nfs/dbraw/zinc/63/47/29/675634729.db2.gz PGQLKFITCRVCAR-UHFFFAOYSA-N -2 3 357.395 2.260 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c[n-]1 ZINC000618907107 676356204 /nfs/dbraw/zinc/35/62/04/676356204.db2.gz SGLOUJHMFWQAEN-UHFFFAOYSA-N -2 3 353.400 2.013 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c[n-]1 ZINC000618907029 676356263 /nfs/dbraw/zinc/35/62/63/676356263.db2.gz IKWSYDKIDZNHOY-UHFFFAOYSA-N -2 3 361.782 2.488 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c[n-]1 ZINC000618906781 676356397 /nfs/dbraw/zinc/35/63/97/676356397.db2.gz WVXWRIPAYSQLGN-UHFFFAOYSA-N -2 3 367.427 2.483 20 0 FEADHL O=C(c1cccc(Br)c1[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000644887077 677250802 /nfs/dbraw/zinc/25/08/02/677250802.db2.gz KDJYKISWVAEFDW-UHFFFAOYSA-N -2 3 368.187 2.263 20 0 FEADHL Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)no1 ZINC000761258386 680717078 /nfs/dbraw/zinc/71/70/78/680717078.db2.gz DLNBTUMYYLZWSW-UHFFFAOYSA-N -2 3 365.194 2.467 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)c(F)c1 ZINC000663294716 678718448 /nfs/dbraw/zinc/71/84/48/678718448.db2.gz YQFPYWZHGUDRRT-VIFPVBQESA-N -2 3 357.325 2.456 20 0 FEADHL CCO[C@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000663424206 678735522 /nfs/dbraw/zinc/73/55/22/678735522.db2.gz KMFKNYBQWSRSQN-CYBMUJFWSA-N -2 3 353.396 2.342 20 0 FEADHL C[C@@]1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1(Cl)Cl ZINC000840890631 680849730 /nfs/dbraw/zinc/84/97/30/680849730.db2.gz BWUHYRRBZGXDCF-NSHDSACASA-N -2 3 356.202 2.386 20 0 FEADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000837289235 680581348 /nfs/dbraw/zinc/58/13/48/680581348.db2.gz XEWQJWQWEIONHY-VIFPVBQESA-N -2 3 361.807 2.044 20 0 FEADHL O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000853068527 682370758 /nfs/dbraw/zinc/37/07/58/682370758.db2.gz AHKOPAOZHIUGDF-QMMMGPOBSA-N -2 3 364.192 2.040 20 0 FEADHL O=C([O-])/C=C\C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000788444767 682530213 /nfs/dbraw/zinc/53/02/13/682530213.db2.gz BBIQBZFQOHJXLZ-UPHRSURJSA-N -2 3 358.828 2.383 20 0 FEADHL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793395654 682886496 /nfs/dbraw/zinc/88/64/96/682886496.db2.gz UGAGBWAPMDCBBO-UHFFFAOYSA-N -2 3 353.371 2.434 20 0 FEADHL COc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)[O-])CC2)cc1F ZINC000926458826 683127320 /nfs/dbraw/zinc/12/73/20/683127320.db2.gz UQNPIWUMEAZZPX-MGCOHNPYSA-N -2 3 363.382 2.143 20 0 FEADHL O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2cc(Br)ccc2[O-])CO1 ZINC000901983181 690725953 /nfs/dbraw/zinc/72/59/53/690725953.db2.gz BNFWERRPNKOIEA-PSASIEDQSA-N -2 3 358.188 2.363 20 0 FEADHL C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000903886789 690983574 /nfs/dbraw/zinc/98/35/74/690983574.db2.gz SUPNTLKGDKSLNM-RCOVLWMOSA-N -2 3 354.211 2.005 20 0 FEADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000906947681 691351683 /nfs/dbraw/zinc/35/16/83/691351683.db2.gz MTHQUOWDCNXXSJ-NSHDSACASA-N -2 3 355.334 2.259 20 0 FEADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000036833101 539994933 /nfs/dbraw/zinc/99/49/33/539994933.db2.gz HKXXJHKUBVALCC-UHFFFAOYSA-N -2 3 368.436 2.062 20 0 FEADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000036833119 539995071 /nfs/dbraw/zinc/99/50/71/539995071.db2.gz OHJQYIKGGCQKRH-UHFFFAOYSA-N -2 3 362.379 2.137 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(C)c1 ZINC000050531517 540407559 /nfs/dbraw/zinc/40/75/59/540407559.db2.gz SZOWQKUDKPSFMW-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL CSCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000068216466 541564398 /nfs/dbraw/zinc/56/43/98/541564398.db2.gz JZIQEVSPWMZBOM-UHFFFAOYSA-N -2 3 362.432 2.234 20 0 FEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCCSC ZINC000069440414 541687255 /nfs/dbraw/zinc/68/72/55/541687255.db2.gz DUWBJSOYCCZZON-UHFFFAOYSA-N -2 3 353.849 2.078 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)ccc1F ZINC000105590502 543177595 /nfs/dbraw/zinc/17/75/95/543177595.db2.gz JSBITTJIVJNNAN-UHFFFAOYSA-N -2 3 358.416 2.306 20 0 FEADHL C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000133434063 544269655 /nfs/dbraw/zinc/26/96/55/544269655.db2.gz BSJLFCXHDWYTLZ-WDSKDSINSA-N -2 3 354.247 2.143 20 0 FEADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2cnn(-c3ccccc3)c2)c1 ZINC000193221439 328363363 /nfs/dbraw/zinc/36/33/63/328363363.db2.gz IIMOGYLEHAIARZ-UHFFFAOYSA-N -2 3 363.420 2.111 20 0 FEADHL CCOCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000013341138 324375094 /nfs/dbraw/zinc/37/50/94/324375094.db2.gz DXJYOWWBXADTCO-UHFFFAOYSA-N -2 3 356.227 2.397 20 0 FEADHL CCC[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000262495461 328869462 /nfs/dbraw/zinc/86/94/62/328869462.db2.gz YDPKZFOHJHJAPT-MRVPVSSYSA-N -2 3 356.263 2.351 20 0 FEADHL Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)s1 ZINC000273663608 329882689 /nfs/dbraw/zinc/88/26/89/329882689.db2.gz FKCATBAGQLJCRJ-UHFFFAOYSA-N -2 3 358.416 2.384 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)s1 ZINC000274926360 329993413 /nfs/dbraw/zinc/99/34/13/329993413.db2.gz BTXOIMCXUSXNNA-JGVFFNPUSA-N -2 3 366.258 2.127 20 0 FEADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000274943890 329995215 /nfs/dbraw/zinc/99/52/15/329995215.db2.gz FLNGOUJBSUWNRP-VXNVDRBHSA-N -2 3 353.293 2.152 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000275041214 330004609 /nfs/dbraw/zinc/00/46/09/330004609.db2.gz VOINPONTYMFZHK-UHFFFAOYSA-N -2 3 368.436 2.206 20 0 FEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(C)c1C ZINC000275318550 330034561 /nfs/dbraw/zinc/03/45/61/330034561.db2.gz XLPABMQCLARRJR-GFCCVEGCSA-N -2 3 371.846 2.103 20 0 FEADHL COc1ccc([O-])c(C(=O)NCc2cccc(-n3ccc(C(=O)[O-])n3)c2)c1 ZINC000478927977 561178294 /nfs/dbraw/zinc/17/82/94/561178294.db2.gz OXPZIUDEBXBEST-UHFFFAOYSA-N -2 3 367.361 2.215 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)ccc1[O-] ZINC000481431354 561232598 /nfs/dbraw/zinc/23/25/98/561232598.db2.gz DEVDZIBBORQSJO-UHFFFAOYSA-N -3 3 364.379 2.158 20 0 FEADHL COc1ccc(/C=C/c2cc(=O)n3[n-]cnc3n2)c(Br)c1[O-] ZINC000486194749 561340633 /nfs/dbraw/zinc/34/06/33/561340633.db2.gz KIONLSAWICABDH-DUXPYHPUSA-N -2 3 363.171 2.065 20 0 FEADHL CCOC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)n[n-]1 ZINC000194689479 548516071 /nfs/dbraw/zinc/51/60/71/548516071.db2.gz SHBDBEMTOJZKMJ-UHFFFAOYSA-N -2 3 361.782 2.321 20 0 FEADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230102545 548757487 /nfs/dbraw/zinc/75/74/87/548757487.db2.gz KKDTYRLBKRWWAA-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@H](C)C(=O)[O-] ZINC000235202805 548765699 /nfs/dbraw/zinc/76/56/99/548765699.db2.gz AEVJCEMNDFKJLZ-NKWVEPMBSA-N -2 3 370.652 2.490 20 0 FEADHL CS(=O)(=O)[N-]c1cc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)ccc1F ZINC000261725468 549747538 /nfs/dbraw/zinc/74/75/38/549747538.db2.gz RBRNYDPYZDTGSJ-VHSXEESVSA-N -2 3 358.391 2.027 20 0 FEADHL CS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)ccc1F ZINC000261725471 549748051 /nfs/dbraw/zinc/74/80/51/549748051.db2.gz RBRNYDPYZDTGSJ-ZJUUUORDSA-N -2 3 358.391 2.027 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)s1 ZINC000262405227 549817074 /nfs/dbraw/zinc/81/70/74/549817074.db2.gz KPWGGMFVRSWORV-MRVPVSSYSA-N -2 3 356.263 2.207 20 0 FEADHL Cc1ccoc1C[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1 ZINC000291857168 552668983 /nfs/dbraw/zinc/66/89/83/552668983.db2.gz GFLHTZUEHXUJME-UHFFFAOYSA-N -2 3 371.386 2.449 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])c(C)o1 ZINC000297358488 553282895 /nfs/dbraw/zinc/28/28/95/553282895.db2.gz ZVFSRJRDPJYGJV-NEPJUHHUSA-N -2 3 373.427 2.077 20 0 FEADHL C[N-]S(=O)(=O)c1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)ccc1F ZINC000504473475 561658763 /nfs/dbraw/zinc/65/87/63/561658763.db2.gz JFRFOWSWARHXEY-UHFFFAOYSA-N -2 3 372.418 2.098 20 0 FEADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000504694756 561661371 /nfs/dbraw/zinc/66/13/71/561661371.db2.gz KEJCGLRPEAUIJS-UHFFFAOYSA-N -2 3 363.391 2.371 20 0 FEADHL Cc1nn(C)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1Br ZINC000504743253 561661832 /nfs/dbraw/zinc/66/18/32/561661832.db2.gz UMZQPOOZAIWYRZ-PLNGDYQASA-N -2 3 367.203 2.093 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000326917965 553784593 /nfs/dbraw/zinc/78/45/93/553784593.db2.gz QLEICNFLZDVCGI-UHFFFAOYSA-N -3 3 365.363 2.206 20 0 FEADHL Cn1ncc2c1nc(Sc1n[n-]c(=NC3CCCCC3)s1)[n-]c2=O ZINC000329103558 553881061 /nfs/dbraw/zinc/88/10/61/553881061.db2.gz GCYNPQBVFJEMNF-UHFFFAOYSA-N -2 3 363.472 2.816 20 0 FEADHL O=c1[n-]c(C2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)n[nH]1 ZINC000329679577 553987395 /nfs/dbraw/zinc/98/73/95/553987395.db2.gz XKWQGMPXURVRSO-UHFFFAOYSA-N -2 3 366.381 2.285 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c[nH]1 ZINC000509593137 561806529 /nfs/dbraw/zinc/80/65/29/561806529.db2.gz CFJKYLNUGWUUPW-UHFFFAOYSA-N -2 3 372.786 2.328 20 0 FEADHL CCCCS(=O)(=O)[N-]CC(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000616811120 555341247 /nfs/dbraw/zinc/34/12/47/555341247.db2.gz KAHKAQFCXQIRIC-UHFFFAOYSA-N -2 3 356.473 2.105 20 0 FEADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)cn1C ZINC000514584086 561967780 /nfs/dbraw/zinc/96/77/80/561967780.db2.gz XKHCPVVQMVYVSQ-CYBMUJFWSA-N -2 3 371.846 2.301 20 0 FEADHL Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000516283940 562038607 /nfs/dbraw/zinc/03/86/07/562038607.db2.gz RTVJHAPLJPNAPS-SECBINFHSA-N -2 3 372.472 2.141 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1 ZINC000517983436 562101930 /nfs/dbraw/zinc/10/19/30/562101930.db2.gz OIZWGJMWCKYLRF-LLVKDONJSA-N -2 3 360.313 2.205 20 0 FEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(F)F ZINC000518612844 562115372 /nfs/dbraw/zinc/11/53/72/562115372.db2.gz LJPFFXUAWNMRLH-ZETCQYMHSA-N -2 3 361.288 2.340 20 0 FEADHL Cc1cc(C)cc([C@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C(=O)[O-])c1 ZINC000518882639 562120169 /nfs/dbraw/zinc/12/01/69/562120169.db2.gz GUUBJYPAQJCMRI-HNNXBMFYSA-N -2 3 367.361 2.134 20 0 FEADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC000374230542 557847437 /nfs/dbraw/zinc/84/74/37/557847437.db2.gz OGPPFNVTPRPBJN-ZDUSSCGKSA-N -2 3 357.476 2.169 20 0 FEADHL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000375612858 558057102 /nfs/dbraw/zinc/05/71/02/558057102.db2.gz OVUBZTDPBYWKRC-UHFFFAOYSA-N -2 3 373.438 2.353 20 0 FEADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC000521833344 562184406 /nfs/dbraw/zinc/18/44/06/562184406.db2.gz UBYPSMQLONIXPJ-CQSZACIVSA-N -2 3 357.476 2.241 20 0 FEADHL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)N1CCC[C@H](C)C1 ZINC000525687720 562252107 /nfs/dbraw/zinc/25/21/07/562252107.db2.gz OYUUNGZVOGADOS-JTQLQIEISA-N -2 3 360.407 2.311 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1cccnc1 ZINC000414389718 559160669 /nfs/dbraw/zinc/16/06/69/559160669.db2.gz GWGMJFOVOQLEKI-UHFFFAOYSA-N -2 3 352.387 2.175 20 0 FEADHL CC[C@H](CS(=O)(=O)[N-]c1n[n-]c(SCc2ccccc2)n1)OC ZINC000421229633 559532328 /nfs/dbraw/zinc/53/23/28/559532328.db2.gz GYSSCNFSFVGNJL-GFCCVEGCSA-N -2 3 356.473 2.264 20 0 FEADHL CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000433805402 559888118 /nfs/dbraw/zinc/88/81/18/559888118.db2.gz MVFRODQITBWLOO-UHFFFAOYSA-N -2 3 374.418 2.374 20 0 FEADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)CC1 ZINC000436479001 559942712 /nfs/dbraw/zinc/94/27/12/559942712.db2.gz STOFVCFMMSEQSA-UHFFFAOYSA-N -2 3 366.395 2.094 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000436479259 559942725 /nfs/dbraw/zinc/94/27/25/559942725.db2.gz TXPODCXKTGMFMJ-UHFFFAOYSA-N -2 3 363.391 2.305 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccccc2[O-])cc1OC ZINC000436724192 559950020 /nfs/dbraw/zinc/95/00/20/559950020.db2.gz YHMCIRVRNDXTCW-UHFFFAOYSA-N -2 3 350.396 2.415 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c1 ZINC000436868305 559954893 /nfs/dbraw/zinc/95/48/93/559954893.db2.gz HAQCSJCBFYECEE-UHFFFAOYSA-N -3 3 361.734 2.389 20 0 FEADHL CC(C)([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C1CCC1 ZINC000451864941 560333375 /nfs/dbraw/zinc/33/33/75/560333375.db2.gz JJSCPHRENDQFSX-UHFFFAOYSA-N -2 3 364.464 2.054 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc(C(=O)[O-])c1C ZINC000471117870 560998601 /nfs/dbraw/zinc/99/86/01/560998601.db2.gz XZYJSCKFKRHJCB-UHFFFAOYSA-N -2 3 365.407 2.174 20 0 FEADHL CCC[C@H](CC)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000476905943 561131570 /nfs/dbraw/zinc/13/15/70/561131570.db2.gz QAIUXENMANDIEZ-JTQLQIEISA-N -2 3 352.453 2.054 20 0 FEADHL CO[C@H](C)c1nc(=NC(=O)c2cc([O-])cc(Br)c2)s[n-]1 ZINC000530269780 562404899 /nfs/dbraw/zinc/40/48/99/562404899.db2.gz YJOBEKOIEPTICY-ZCFIWIBFSA-N -2 3 358.217 2.388 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C(=O)[O-])c1 ZINC000534885419 562544629 /nfs/dbraw/zinc/54/46/29/562544629.db2.gz URCDSKWCHTZYCG-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000534993911 562547116 /nfs/dbraw/zinc/54/71/16/562547116.db2.gz WHMFCKMWPHTYBI-UHFFFAOYSA-N -2 3 361.431 2.062 20 0 FEADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000534993911 562547117 /nfs/dbraw/zinc/54/71/17/562547117.db2.gz WHMFCKMWPHTYBI-UHFFFAOYSA-N -2 3 361.431 2.062 20 0 FEADHL CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000537196537 562587496 /nfs/dbraw/zinc/58/74/96/562587496.db2.gz WGNYLTQVJQRNOB-UHFFFAOYSA-N -2 3 365.407 2.307 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C1CCC1 ZINC000540982936 562599450 /nfs/dbraw/zinc/59/94/50/562599450.db2.gz WDUWJEPGPMJAAP-LLVKDONJSA-N -2 3 366.208 2.120 20 0 FEADHL Cc1csc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000737453260 598891107 /nfs/dbraw/zinc/89/11/07/598891107.db2.gz TUZOHFPBYBTXNY-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL Cc1csc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000737453260 598891108 /nfs/dbraw/zinc/89/11/08/598891108.db2.gz TUZOHFPBYBTXNY-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL CCc1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)sc1C ZINC000736705814 599029651 /nfs/dbraw/zinc/02/96/51/599029651.db2.gz OACXFVLGMDXMMS-UHFFFAOYSA-N -2 3 364.456 2.303 20 0 FEADHL CCc1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)sc1C ZINC000736705814 599029653 /nfs/dbraw/zinc/02/96/53/599029653.db2.gz OACXFVLGMDXMMS-UHFFFAOYSA-N -2 3 364.456 2.303 20 0 FEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000737226005 599029772 /nfs/dbraw/zinc/02/97/72/599029772.db2.gz XPZRUCMOONVJGE-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=C(CSc1ccc(-c2nnn[n-]2)cc1F)[N-]OCc1ccccc1 ZINC000737948967 599064480 /nfs/dbraw/zinc/06/44/80/599064480.db2.gz UMZQPAMYXWMOQT-UHFFFAOYSA-N -2 3 359.386 2.346 20 0 FEADHL O=C(CSc1ccc(-c2nn[n-]n2)cc1F)[N-]OCc1ccccc1 ZINC000737948967 599064483 /nfs/dbraw/zinc/06/44/83/599064483.db2.gz UMZQPAMYXWMOQT-UHFFFAOYSA-N -2 3 359.386 2.346 20 0 FEADHL O=S(=O)([N-]c1cc(Cl)ccc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738344836 598566389 /nfs/dbraw/zinc/56/63/89/598566389.db2.gz JMHVOLDDHSJXMC-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=S(=O)([N-]c1cc(Cl)ccc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738344836 598566387 /nfs/dbraw/zinc/56/63/87/598566387.db2.gz JMHVOLDDHSJXMC-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL CC(C)(CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)[O-] ZINC000819976029 599299028 /nfs/dbraw/zinc/29/90/28/599299028.db2.gz IGWIIYWFRBIWGZ-UHFFFAOYSA-N -2 3 357.292 2.325 20 0 FEADHL CC(C)(CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)[O-] ZINC000819976029 599299030 /nfs/dbraw/zinc/29/90/30/599299030.db2.gz IGWIIYWFRBIWGZ-UHFFFAOYSA-N -2 3 357.292 2.325 20 0 FEADHL O=S(=O)([N-]c1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823589189 599438465 /nfs/dbraw/zinc/43/84/65/599438465.db2.gz RUXQFWRYCJNPJV-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(Cl)cccc32)o1 ZINC000740175696 599773965 /nfs/dbraw/zinc/77/39/65/599773965.db2.gz UVZBOHYVNMIFCE-SNVBAGLBSA-N -2 3 357.771 2.433 20 0 FEADHL COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000584468068 599774337 /nfs/dbraw/zinc/77/43/37/599774337.db2.gz XEABHODJSJEAQU-LLVKDONJSA-N -2 3 353.396 2.286 20 0 FEADHL CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000736164784 599983094 /nfs/dbraw/zinc/98/30/94/599983094.db2.gz DQUCYXCCMCYCKT-ZDUSSCGKSA-N -2 3 374.368 2.163 20 0 FEADHL O=C([O-])CSCc1cccc(NC(=O)CNC(=O)c2ccc([O-])cc2)c1 ZINC000739872346 599992086 /nfs/dbraw/zinc/99/20/86/599992086.db2.gz IRAOUINKGCQPSU-UHFFFAOYSA-N -2 3 374.418 2.079 20 0 FEADHL CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])c1 ZINC000736165899 600101961 /nfs/dbraw/zinc/10/19/61/600101961.db2.gz UBGYVRNDUKWQEI-HNNXBMFYSA-N -2 3 370.405 2.332 20 0 FEADHL O=C([O-])Cc1nc([N-]C(=O)c2csc(-c3c(F)cccc3F)n2)n[nH]1 ZINC000739899558 600183797 /nfs/dbraw/zinc/18/37/97/600183797.db2.gz RGMNTQXQXOGLAH-UHFFFAOYSA-N -2 3 365.321 2.086 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCOCC2)o1 ZINC000740172701 600265974 /nfs/dbraw/zinc/26/59/74/600265974.db2.gz DVZRJMZUCUEHCF-UHFFFAOYSA-N -2 3 369.370 2.101 20 0 FEADHL CC[C@@](NC(=O)c1nnc2ccccc2c1[O-])(C(=O)[O-])c1ccccc1 ZINC000736919241 600484989 /nfs/dbraw/zinc/48/49/89/600484989.db2.gz HDAPOYYFKHOXEH-IBGZPJMESA-N -2 3 351.362 2.455 20 0 FEADHL Cc1ccc(OCc2ccc(C(=O)[N-]c3n[nH]c(CC(=O)[O-])n3)o2)c(C)c1 ZINC000738649491 600533026 /nfs/dbraw/zinc/53/30/26/600533026.db2.gz SWOYKGRQJDGKLG-UHFFFAOYSA-N -2 3 370.365 2.473 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)c1nccs1 ZINC000567584847 601216605 /nfs/dbraw/zinc/21/66/05/601216605.db2.gz AQXWQSZDNQXXPX-ZETCQYMHSA-N -2 3 362.454 2.341 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2F)cc1C(=O)[O-] ZINC000833027103 601222494 /nfs/dbraw/zinc/22/24/94/601222494.db2.gz BPCVTMRFBFNAEU-CABZTGNLSA-N -2 3 357.334 2.399 20 0 FEADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000831584970 601266123 /nfs/dbraw/zinc/26/61/23/601266123.db2.gz JFHAELMUZDPREA-LBPRGKRZSA-N -2 3 356.227 2.152 20 0 FEADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C12CCCCC2 ZINC000645983058 601268733 /nfs/dbraw/zinc/26/87/33/601268733.db2.gz MVYVTVDJUXJVBE-QWHCGFSZSA-N -2 3 357.428 2.384 20 0 FEADHL C[C@@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000826037911 601603509 /nfs/dbraw/zinc/60/35/09/601603509.db2.gz BUYYPFCDEKWKFL-BMIGLBTASA-N -2 3 367.361 2.154 20 0 FEADHL O=C([O-])C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCO1 ZINC000833218529 601760505 /nfs/dbraw/zinc/76/05/05/601760505.db2.gz ZCDKPYMSSOIWSS-INIZCTEOSA-N -2 3 355.390 2.299 20 0 FEADHL COC[C@@](C)([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000831632636 601803916 /nfs/dbraw/zinc/80/39/16/601803916.db2.gz ZHTGJUMLTYDZRE-GFCCVEGCSA-N -2 3 356.227 2.070 20 0 FEADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000833086026 601830522 /nfs/dbraw/zinc/83/05/22/601830522.db2.gz FKSYBUYBILHTHB-UHFFFAOYSA-N -2 3 372.761 2.077 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)c1-c1nnn[n-]1 ZINC000826303938 607534269 /nfs/dbraw/zinc/53/42/69/607534269.db2.gz NHVNTQMKCCZRGA-UHFFFAOYSA-N -2 3 374.426 2.158 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)c1-c1nn[n-]n1 ZINC000826303938 607534271 /nfs/dbraw/zinc/53/42/71/607534271.db2.gz NHVNTQMKCCZRGA-UHFFFAOYSA-N -2 3 374.426 2.158 20 0 FEADHL CO[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1Cl ZINC000831519462 602008001 /nfs/dbraw/zinc/00/80/01/602008001.db2.gz PANNOJCBRUABRP-GFCCVEGCSA-N -2 3 359.787 2.297 20 0 FEADHL O=C([O-])Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000560444824 602143667 /nfs/dbraw/zinc/14/36/67/602143667.db2.gz RGDQHSDHOYJUSW-MRXNPFEDSA-N -2 3 368.389 2.263 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CCCC2)c(Br)o1 ZINC000055313412 602143894 /nfs/dbraw/zinc/14/38/94/602143894.db2.gz AEDOZPPNUNWAHM-UHFFFAOYSA-N -2 3 352.206 2.209 20 0 FEADHL CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000697977985 602152401 /nfs/dbraw/zinc/15/24/01/602152401.db2.gz BDPVWJPHGWCEKR-UHFFFAOYSA-N -2 3 354.222 2.453 20 0 FEADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)NC(=O)[O-] ZINC000738906685 602315735 /nfs/dbraw/zinc/31/57/35/602315735.db2.gz PIQFVWHTOVBQRE-ZETCQYMHSA-N -2 3 358.313 2.169 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)ccc1Cl ZINC000761899549 602318856 /nfs/dbraw/zinc/31/88/56/602318856.db2.gz FDLASHZBHNMVTE-UHFFFAOYSA-N -2 3 352.759 2.110 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)ccc1Cl ZINC000761899549 602318859 /nfs/dbraw/zinc/31/88/59/602318859.db2.gz FDLASHZBHNMVTE-UHFFFAOYSA-N -2 3 352.759 2.110 20 0 FEADHL CC(C)C[C@H](CNC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000738812247 602566854 /nfs/dbraw/zinc/56/68/54/602566854.db2.gz QEJIPEUTGFARTN-SNVBAGLBSA-N -2 3 352.815 2.440 20 0 FEADHL O=C([O-])Nc1ccc(C(=O)NCCN2CCc3sccc3C2)c([O-])c1 ZINC000740699904 602854231 /nfs/dbraw/zinc/85/42/31/602854231.db2.gz XMZXEYRVALUHRO-UHFFFAOYSA-N -2 3 361.423 2.332 20 0 FEADHL CC(C)C[C@@H](CNC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000824202410 603117007 /nfs/dbraw/zinc/11/70/07/603117007.db2.gz BJCCTFSMTKIOHE-QMMMGPOBSA-N -2 3 354.350 2.065 20 0 FEADHL O=C([O-])N[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000740534526 603270887 /nfs/dbraw/zinc/27/08/87/603270887.db2.gz SYQADCGZRQWDJW-CYBMUJFWSA-N -2 3 372.772 2.468 20 0 FEADHL O=C([O-])N[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000740534526 603270891 /nfs/dbraw/zinc/27/08/91/603270891.db2.gz SYQADCGZRQWDJW-CYBMUJFWSA-N -2 3 372.772 2.468 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](NC(=O)[O-])[C@@H](C)C3)nc2)n1 ZINC000739536017 603405490 /nfs/dbraw/zinc/40/54/90/603405490.db2.gz LONFLJPTSZUNOC-FZMZJTMJSA-N -2 3 357.414 2.289 20 0 FEADHL CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[C@@H](NC(=O)[O-])C2)c([O-])c1 ZINC000827344379 603625802 /nfs/dbraw/zinc/62/58/02/603625802.db2.gz XJKSSWVQTVYJBX-CMPLNLGQSA-N -2 3 350.371 2.334 20 0 FEADHL O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000832349829 603985055 /nfs/dbraw/zinc/98/50/55/603985055.db2.gz JSSXVZUTNDHOFJ-HUUCEWRRSA-N -2 3 372.429 2.090 20 0 FEADHL CC(C)C[C@H]([N-]S(=O)(=O)Cc1ccccc1C(=O)[O-])C(=O)OC(C)C ZINC000833491263 605027640 /nfs/dbraw/zinc/02/76/40/605027640.db2.gz QZSXPCBFUFLLCZ-HNNXBMFYSA-N -2 3 371.455 2.171 20 0 FEADHL CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C(C)(C)O1 ZINC000833556474 605298509 /nfs/dbraw/zinc/29/85/09/605298509.db2.gz AKQAQSXQKNGNSW-JTQLQIEISA-N -2 3 363.382 2.287 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](NC(=O)[O-])C[C@H]3C)nc2)n1 ZINC000827555973 605492193 /nfs/dbraw/zinc/49/21/93/605492193.db2.gz BOBPDCJMZCVJLV-RISCZKNCSA-N -2 3 357.414 2.432 20 0 FEADHL O=C([O-])N[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000832114284 605572609 /nfs/dbraw/zinc/57/26/09/605572609.db2.gz XNWJCCVRNSCTFQ-CQSZACIVSA-N -2 3 352.354 2.204 20 0 FEADHL O=C([O-])N[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000832114284 605572613 /nfs/dbraw/zinc/57/26/13/605572613.db2.gz XNWJCCVRNSCTFQ-CQSZACIVSA-N -2 3 352.354 2.204 20 0 FEADHL O=C([O-])N[C@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000834131288 605596918 /nfs/dbraw/zinc/59/69/18/605596918.db2.gz WUIVGVKPTXUTMM-CYBMUJFWSA-N -2 3 352.354 2.204 20 0 FEADHL O=C([O-])N1CCN(C(=O)c2nnc3ccccc3c2[O-])C2(CCCCC2)C1 ZINC000832031274 605748340 /nfs/dbraw/zinc/74/83/40/605748340.db2.gz KRTIOOPPYCDWPA-UHFFFAOYSA-N -2 3 370.409 2.474 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Oc1ccccc1 ZINC000559153670 674530669 /nfs/dbraw/zinc/53/06/69/674530669.db2.gz ZIPJHVXEALYZEV-ZDUSSCGKSA-N -2 3 373.789 2.290 20 0 FEADHL O=S(=O)([N-]c1ccccc1O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823589004 606206684 /nfs/dbraw/zinc/20/66/84/606206684.db2.gz HPFPEEONPKETOA-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=S(=O)([N-]c1ccccc1O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823589004 606206685 /nfs/dbraw/zinc/20/66/85/606206685.db2.gz HPFPEEONPKETOA-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL CCC(CC)(CC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820882146 606758365 /nfs/dbraw/zinc/75/83/65/606758365.db2.gz KSLNKKMSFSTSJR-UHFFFAOYSA-N -2 3 365.459 2.029 20 0 FEADHL CCC(CC)(CC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820882146 606758366 /nfs/dbraw/zinc/75/83/66/606758366.db2.gz KSLNKKMSFSTSJR-UHFFFAOYSA-N -2 3 365.459 2.029 20 0 FEADHL O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccccc1-c1nnn[n-]1 ZINC000823583525 606871011 /nfs/dbraw/zinc/87/10/11/606871011.db2.gz SCIHTVHNWCWHNF-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccccc1-c1nn[n-]n1 ZINC000823583525 606871012 /nfs/dbraw/zinc/87/10/12/606871012.db2.gz SCIHTVHNWCWHNF-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820704230 606883062 /nfs/dbraw/zinc/88/30/62/606883062.db2.gz MWSFBMSXHFIBIO-PELKAZGASA-N -2 3 357.386 2.002 20 0 FEADHL CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820870428 606893900 /nfs/dbraw/zinc/89/39/00/606893900.db2.gz SIRLJKTVCCAFSL-RKDXNWHRSA-N -2 3 359.402 2.248 20 0 FEADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1sccc1C ZINC000821309609 607032479 /nfs/dbraw/zinc/03/24/79/607032479.db2.gz PLBRUIGQALTYBD-UHFFFAOYSA-N -2 3 364.456 2.469 20 0 FEADHL CCCC(CCC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825242404 607806403 /nfs/dbraw/zinc/80/64/03/607806403.db2.gz QHYHSNSIVWPBOZ-UHFFFAOYSA-N -2 3 365.459 2.029 20 0 FEADHL CCCC(CCC)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825242404 607806404 /nfs/dbraw/zinc/80/64/04/607806404.db2.gz QHYHSNSIVWPBOZ-UHFFFAOYSA-N -2 3 365.459 2.029 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826330418 607846386 /nfs/dbraw/zinc/84/63/86/607846386.db2.gz TWWOZTFXAOUWGU-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825060527 608141004 /nfs/dbraw/zinc/14/10/04/608141004.db2.gz QHVKCRSCVIKOGK-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825060527 608141005 /nfs/dbraw/zinc/14/10/05/608141005.db2.gz QHVKCRSCVIKOGK-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nn1[C@@H](C)C1CC1 ZINC000826271397 609469287 /nfs/dbraw/zinc/46/92/87/609469287.db2.gz PKMQAWIBVNREKE-NSHDSACASA-N -2 3 373.442 2.143 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nn1[C@@H](C)C1CC1 ZINC000826271397 609469288 /nfs/dbraw/zinc/46/92/88/609469288.db2.gz PKMQAWIBVNREKE-NSHDSACASA-N -2 3 373.442 2.143 20 0 FEADHL O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[N-]OC/C=C\Cl ZINC000812398660 674672275 /nfs/dbraw/zinc/67/22/75/674672275.db2.gz VWGYQVATECVKHN-DJWKRKHSSA-N -2 3 373.645 2.072 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCCOc2c(F)cccc21 ZINC000563070365 674844066 /nfs/dbraw/zinc/84/40/66/674844066.db2.gz ZAVMBTWEHPTMDD-SNVBAGLBSA-N -2 3 372.399 2.173 20 0 FEADHL CC(C)(CCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000563744549 674934996 /nfs/dbraw/zinc/93/49/96/674934996.db2.gz QXNOCYSEDNTPGZ-UHFFFAOYSA-N -2 3 354.350 2.270 20 0 FEADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000049124787 670275580 /nfs/dbraw/zinc/27/55/80/670275580.db2.gz GNPJLZDVSAYBDM-UHFFFAOYSA-N -2 3 364.265 2.050 20 0 FEADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-][N-]C(=O)CCOc1ccccc1 ZINC000060838551 670389675 /nfs/dbraw/zinc/38/96/75/670389675.db2.gz YWFFRKGGKYFFCT-UHFFFAOYSA-N -2 3 368.842 2.427 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CCSC[C@H](C(=O)[O-])C3)nc2)n1 ZINC000569248270 670531899 /nfs/dbraw/zinc/53/18/99/670531899.db2.gz LYSWBBVBDMNLEE-GFCCVEGCSA-N -2 3 360.439 2.061 20 0 FEADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000574951637 671288177 /nfs/dbraw/zinc/28/81/77/671288177.db2.gz WTXPMLFWCQPJAM-PWSUYJOCSA-N -2 3 352.334 2.022 20 0 FEADHL CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000575056698 671295912 /nfs/dbraw/zinc/29/59/12/671295912.db2.gz MYUWUKJOPPFTBU-RKDXNWHRSA-N -2 3 350.487 2.184 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])c(F)cc1Br ZINC000575970058 671334686 /nfs/dbraw/zinc/33/46/86/671334686.db2.gz ZRXZJLYGEDTILT-UHFFFAOYSA-N -2 3 368.224 2.286 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000577866404 671625634 /nfs/dbraw/zinc/62/56/34/671625634.db2.gz MHMZXVVRJHIYCZ-NEPJUHHUSA-N -2 3 368.436 2.040 20 0 FEADHL CSCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000609459426 675922688 /nfs/dbraw/zinc/92/26/88/675922688.db2.gz DOGSASXSCLRXJG-UHFFFAOYSA-N -2 3 362.432 2.234 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCOC2(CCCCC2)C1 ZINC000578646816 671679890 /nfs/dbraw/zinc/67/98/90/671679890.db2.gz NGNBFPRYGOSPOA-JTQLQIEISA-N -2 3 360.457 2.002 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000584289471 672173835 /nfs/dbraw/zinc/17/38/35/672173835.db2.gz MRDFQHCLXYTLOL-GFCCVEGCSA-N -2 3 355.343 2.309 20 0 FEADHL COCCOc1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000678825323 672445691 /nfs/dbraw/zinc/44/56/91/672445691.db2.gz QTQBMZRYDKQBFV-UHFFFAOYSA-N -2 3 353.396 2.227 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2ccc(F)cc2)c(F)cc1F ZINC000184858350 672508775 /nfs/dbraw/zinc/50/87/75/672508775.db2.gz HMEMDRHSCDUMEI-UHFFFAOYSA-N -2 3 359.325 2.323 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)CC1CC1 ZINC000405411365 673168970 /nfs/dbraw/zinc/16/89/70/673168970.db2.gz ULJRJQYATWWBIM-MRVPVSSYSA-N -2 3 368.274 2.290 20 0 FEADHL O=S(=O)([N-]N=c1c(F)c(F)[n-]c(F)c1F)c1cccc2cccnc21 ZINC000734740774 673471615 /nfs/dbraw/zinc/47/16/15/673471615.db2.gz WMCRSSRYHZAZPG-UHFFFAOYSA-N -2 3 372.303 2.492 20 0 FEADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1C ZINC000539398930 673488362 /nfs/dbraw/zinc/48/83/62/673488362.db2.gz VPYJBSMTZXYTBA-SECBINFHSA-N -3 3 353.400 2.367 20 0 FEADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000542842030 673609933 /nfs/dbraw/zinc/60/99/33/673609933.db2.gz UZTFYLNXQCDSCM-JTQLQIEISA-N -2 3 368.224 2.366 20 0 FEADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547895690 673899540 /nfs/dbraw/zinc/89/95/40/673899540.db2.gz JIDJUHVTXMNFPH-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL CCCSC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC000547912590 673903476 /nfs/dbraw/zinc/90/34/76/673903476.db2.gz SDYVNYPGJRKCSK-LLVKDONJSA-N -2 3 353.412 2.148 20 0 FEADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000548253441 673943337 /nfs/dbraw/zinc/94/33/37/673943337.db2.gz LMNVHMSTTJZSEN-SNVBAGLBSA-N -2 3 368.224 2.366 20 0 FEADHL COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1c(C)ccc(F)c1C(=O)[O-] ZINC000548534135 673966896 /nfs/dbraw/zinc/96/68/96/673966896.db2.gz IGDDTVUVGGWKRI-CMPLNLGQSA-N -2 3 373.402 2.306 20 0 FEADHL CCc1nc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)ccc1C(=O)[O-] ZINC000548541112 673968238 /nfs/dbraw/zinc/96/82/38/673968238.db2.gz WREPJUAOOFGKCI-UHFFFAOYSA-N -2 3 374.340 2.238 20 0 FEADHL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(C(=O)OCC)cc1[O-] ZINC000821177945 675420144 /nfs/dbraw/zinc/42/01/44/675420144.db2.gz MVRWVVNNEJGNHU-AWEZNQCLSA-N -2 3 373.427 2.042 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c[n-]1 ZINC000618906861 676356297 /nfs/dbraw/zinc/35/62/97/676356297.db2.gz ZEZMXVYJSVSKID-UHFFFAOYSA-N -2 3 361.782 2.321 20 0 FEADHL O=C([O-])[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCOC1 ZINC000630432528 676900739 /nfs/dbraw/zinc/90/07/39/676900739.db2.gz NGNQLGSNIKZDIC-ZDUSSCGKSA-N -2 3 368.238 2.153 20 0 FEADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000646152878 677280114 /nfs/dbraw/zinc/28/01/14/677280114.db2.gz INLYKHJXJZAQFL-ZJUUUORDSA-N -2 3 357.204 2.207 20 0 FEADHL CC[C@@H](OCC[N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccccc1 ZINC000650440544 677375136 /nfs/dbraw/zinc/37/51/36/677375136.db2.gz DOQFMFSUKPSHOU-GFCCVEGCSA-N -2 3 370.452 2.288 20 0 FEADHL Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)s1 ZINC000663293318 678717336 /nfs/dbraw/zinc/71/73/36/678717336.db2.gz DVKFZNJQXVLANO-MRVPVSSYSA-N -2 3 360.379 2.082 20 0 FEADHL COc1ccc(CC[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)c(Cl)c1 ZINC000663422871 678735326 /nfs/dbraw/zinc/73/53/26/678735326.db2.gz OAQKERPEUKSHKO-UHFFFAOYSA-N -2 3 373.814 2.469 20 0 FEADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(C)c(C(=O)[O-])o3)CCC2)n1 ZINC000663423424 678735411 /nfs/dbraw/zinc/73/54/11/678735411.db2.gz WHIKYFDAKPVZAQ-UHFFFAOYSA-N -2 3 356.425 2.409 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C(=O)[O-] ZINC000840785414 680842821 /nfs/dbraw/zinc/84/28/21/680842821.db2.gz REUCVMWFNJEQGX-MRVPVSSYSA-N -2 3 368.224 2.286 20 0 FEADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C1CC1 ZINC000840889679 680849547 /nfs/dbraw/zinc/84/95/47/680849547.db2.gz UVNUAEDQHWHSDC-JTQLQIEISA-N -2 3 368.238 2.395 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl)C(F)F ZINC000840889609 680849584 /nfs/dbraw/zinc/84/95/84/680849584.db2.gz DYMHRTSMXLIRLB-QMMMGPOBSA-N -2 3 357.762 2.369 20 0 FEADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000843296456 680996480 /nfs/dbraw/zinc/99/64/80/680996480.db2.gz UVIUSMUZHIYCSJ-SCZZXKLOSA-N -2 3 353.227 2.310 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(N(C)C(C)=O)c2)c1 ZINC000775675855 681323576 /nfs/dbraw/zinc/32/35/76/681323576.db2.gz LDVIRYRFGGZOCJ-UHFFFAOYSA-N -2 3 350.396 2.184 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CCOCC1 ZINC000776523169 681399640 /nfs/dbraw/zinc/39/96/40/681399640.db2.gz AELWCUVHXZXYHH-AWEZNQCLSA-N -2 3 371.386 2.038 20 0 FEADHL Cc1cc(C)cc(C[C@@H]([N-]S(=O)(=O)c2cccnc2Cl)C(=O)[O-])c1 ZINC000776530146 681399812 /nfs/dbraw/zinc/39/98/12/681399812.db2.gz FVHZMXXRMNACCR-CYBMUJFWSA-N -2 3 368.842 2.326 20 0 FEADHL O=C([O-])C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000776609949 681415987 /nfs/dbraw/zinc/41/59/87/681415987.db2.gz FGWJAKKSYSKPDX-ZDUSSCGKSA-N -2 3 355.362 2.329 20 0 FEADHL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000853068525 682370858 /nfs/dbraw/zinc/37/08/58/682370858.db2.gz AHKOPAOZHIUGDF-MRVPVSSYSA-N -2 3 364.192 2.040 20 0 FEADHL Cc1cc(=O)[n-]c(C(C)(C)NCc2ncc(Br)cc2[O-])n1 ZINC000895541994 689732943 /nfs/dbraw/zinc/73/29/43/689732943.db2.gz CVRMDAKYKLUYLR-UHFFFAOYSA-N -2 3 353.220 2.379 20 0 FEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2n[n-]c3cc(C)n(C)c(=O)c32)s1 ZINC000903161656 690858728 /nfs/dbraw/zinc/85/87/28/690858728.db2.gz NBBGLANLAFONAP-UHFFFAOYSA-N -2 3 352.441 2.049 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000235483571 548766006 /nfs/dbraw/zinc/76/60/06/548766006.db2.gz RAFSTKSDOCVCFP-ZCFIWIBFSA-N -2 3 356.625 2.102 20 0 FEADHL Cc1[n-][nH]c(=NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c1-c1ccccc1 ZINC000522812148 539582510 /nfs/dbraw/zinc/58/25/10/539582510.db2.gz SSAPAZQOFBNYFK-UHFFFAOYSA-N -2 3 362.349 2.387 20 0 FEADHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000037573921 539997134 /nfs/dbraw/zinc/99/71/34/539997134.db2.gz QLQLSDSPXXHQGR-JTQLQIEISA-N -2 3 368.224 2.366 20 0 FEADHL CCCC(C)(C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077389028 542377338 /nfs/dbraw/zinc/37/73/38/542377338.db2.gz NMIQFOXKMQYHRN-UHFFFAOYSA-N -2 3 352.453 2.054 20 0 FEADHL O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000192878678 328344768 /nfs/dbraw/zinc/34/47/68/328344768.db2.gz HSKDWJWDIVYAHY-UHFFFAOYSA-N -2 3 360.797 2.349 20 0 FEADHL O=C(c1ccccc1[O-])N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000079989170 325113015 /nfs/dbraw/zinc/11/30/15/325113015.db2.gz NYMZJAPPZQCSOM-UHFFFAOYSA-N -2 3 360.797 2.349 20 0 FEADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000094540635 325454097 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FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cc(F)ccc1F ZINC000681565918 599760807 /nfs/dbraw/zinc/76/08/07/599760807.db2.gz BAYBJTWZJWGXAL-ZDUSSCGKSA-N -2 3 363.288 2.347 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c(C(=O)[O-])s1 ZINC000737680361 599813882 /nfs/dbraw/zinc/81/38/82/599813882.db2.gz IARJYJNAMKLTLJ-UHFFFAOYSA-N -2 3 359.356 2.173 20 0 FEADHL CCCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)[nH]c(C)c1C(=O)[O-] ZINC000737042379 599827544 /nfs/dbraw/zinc/82/75/44/599827544.db2.gz BPZHQTLLMWQMQF-UHFFFAOYSA-N -2 3 354.370 2.406 20 0 FEADHL CCCc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[nH]c(C)c1C(=O)[O-] ZINC000737042379 599827546 /nfs/dbraw/zinc/82/75/46/599827546.db2.gz BPZHQTLLMWQMQF-UHFFFAOYSA-N -2 3 354.370 2.406 20 0 FEADHL COc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000737920850 599831432 /nfs/dbraw/zinc/83/14/32/599831432.db2.gz LHINDQCKRNNKSF-UHFFFAOYSA-N -2 3 351.305 2.406 20 0 FEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(F)c1 ZINC000737699081 600170053 /nfs/dbraw/zinc/17/00/53/600170053.db2.gz GZDRGVWRCXRSOR-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OC2CCC2)o1 ZINC000566176688 600501212 /nfs/dbraw/zinc/50/12/12/600501212.db2.gz LMEIEUBJSQZSEK-UHFFFAOYSA-N -2 3 351.380 2.388 20 0 FEADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCOC2)cc1 ZINC000740242864 600546511 /nfs/dbraw/zinc/54/65/11/600546511.db2.gz VQMTWTLDZXIYTH-CQSZACIVSA-N -2 3 363.391 2.353 20 0 FEADHL CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)C1 ZINC000737529894 600628070 /nfs/dbraw/zinc/62/80/70/600628070.db2.gz MJSRPYWUOOVZRJ-UHFFFAOYSA-N -2 3 360.435 2.102 20 0 FEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1 ZINC000739886639 600647428 /nfs/dbraw/zinc/64/74/28/600647428.db2.gz QEDPGBHVDPMKNC-UHFFFAOYSA-N -2 3 357.391 2.300 20 0 FEADHL CC(C)c1nn(C)c(Cl)c1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000736532567 600844336 /nfs/dbraw/zinc/84/43/36/600844336.db2.gz LYJJJTMHDSONEJ-UHFFFAOYSA-N -2 3 357.823 2.318 20 0 FEADHL Cc1csc(CCCC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)n1 ZINC000578234690 601219787 /nfs/dbraw/zinc/21/97/87/601219787.db2.gz NJWDRWGOUSTCQT-UHFFFAOYSA-N -2 3 358.441 2.352 20 0 FEADHL COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000566180411 601223041 /nfs/dbraw/zinc/22/30/41/601223041.db2.gz JMTITNSMOIJEGG-JTQLQIEISA-N -2 3 369.395 2.041 20 0 FEADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C2CC2)n1 ZINC000570840096 601223137 /nfs/dbraw/zinc/22/31/37/601223137.db2.gz VRKGXMMOGMLEEP-GFCCVEGCSA-N -2 3 356.425 2.481 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(C)c2)cc1C(=O)[O-] ZINC000645983078 601223167 /nfs/dbraw/zinc/22/31/67/601223167.db2.gz RIIZBEXAGVIADC-LLVKDONJSA-N -2 3 353.396 2.340 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)[C@H]1Oc2ccccc2[C@H]1C ZINC000827755415 601523056 /nfs/dbraw/zinc/52/30/56/601523056.db2.gz QAWQXAJDMHEXFM-FTGAXOIBSA-N -2 3 351.380 2.209 20 0 FEADHL O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000833158298 601885968 /nfs/dbraw/zinc/88/59/68/601885968.db2.gz XUUKDCIUXVUDDM-TZMCWYRMSA-N -2 3 359.382 2.115 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739038963 601994643 /nfs/dbraw/zinc/99/46/43/601994643.db2.gz LWULUXYJICIAFY-IUCAKERBSA-N -2 3 352.865 2.458 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)OCc2ccc(C(=O)[O-])s2)c([O-])c1 ZINC000832911706 602006534 /nfs/dbraw/zinc/00/65/34/602006534.db2.gz LBMVORFOIZEYOM-UHFFFAOYSA-N -2 3 363.391 2.324 20 0 FEADHL C[C@H](CC(=O)[O-])C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000827247517 602299572 /nfs/dbraw/zinc/29/95/72/602299572.db2.gz NNTKSHLHGLXBMH-SNVBAGLBSA-N -2 3 368.817 2.334 20 0 FEADHL CCOC[C@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000558592408 674505751 /nfs/dbraw/zinc/50/57/51/674505751.db2.gz MTTGIRHFBUMIQS-NSHDSACASA-N -2 3 361.803 2.163 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3C[C@@H](C)N(C(=O)[O-])[C@@H](C)C3)nc2)n1 ZINC000739535841 602818307 /nfs/dbraw/zinc/81/83/07/602818307.db2.gz IRUVUHFKUZPLDZ-TXEJJXNPSA-N -2 3 357.414 2.384 20 0 FEADHL CCOC(=O)c1ccc(NC(=O)C2CCC(NC(=O)[O-])CC2)c([O-])c1 ZINC000739481611 602865610 /nfs/dbraw/zinc/86/56/10/602865610.db2.gz WYLHPEKVLDBXBT-UHFFFAOYSA-N -2 3 350.371 2.334 20 0 FEADHL O=C([O-])NC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000740610716 603068371 /nfs/dbraw/zinc/06/83/71/603068371.db2.gz BBKKSAGHVDCVRS-JTQLQIEISA-N -2 3 353.227 2.318 20 0 FEADHL C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823711929 603262303 /nfs/dbraw/zinc/26/23/03/603262303.db2.gz GNTOEEVWGBLEDQ-ABAIWWIYSA-N -2 3 366.381 2.450 20 0 FEADHL C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823711929 603262306 /nfs/dbraw/zinc/26/23/06/603262306.db2.gz GNTOEEVWGBLEDQ-ABAIWWIYSA-N -2 3 366.381 2.450 20 0 FEADHL C[C@@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823723594 603389721 /nfs/dbraw/zinc/38/97/21/603389721.db2.gz LQUWJRHMGFROFZ-BXUZGUMPSA-N -2 3 366.381 2.450 20 0 FEADHL COc1ccccc1-c1nc([N-]C(=O)c2ccc(CNC(=O)[O-])o2)n[nH]1 ZINC000829585700 603390584 /nfs/dbraw/zinc/39/05/84/603390584.db2.gz GNFKKSSILIARRE-UHFFFAOYSA-N -2 3 357.326 2.093 20 0 FEADHL O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000832358668 603944724 /nfs/dbraw/zinc/94/47/24/603944724.db2.gz KQRQFFHBAFAEMH-ZIAGYGMSSA-N -2 3 358.402 2.412 20 0 FEADHL O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000832358668 603944729 /nfs/dbraw/zinc/94/47/29/603944729.db2.gz KQRQFFHBAFAEMH-ZIAGYGMSSA-N -2 3 358.402 2.412 20 0 FEADHL C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824685422 604327658 /nfs/dbraw/zinc/32/76/58/604327658.db2.gz MJTVAQNZJRWBHM-DGCLKSJQSA-N -2 3 358.402 2.221 20 0 FEADHL C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824685422 604327663 /nfs/dbraw/zinc/32/76/63/604327663.db2.gz MJTVAQNZJRWBHM-DGCLKSJQSA-N -2 3 358.402 2.221 20 0 FEADHL Cc1nc(C)c(CC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c(=O)[n-]1 ZINC000832994933 604378827 /nfs/dbraw/zinc/37/88/27/604378827.db2.gz RKJUYBRUOQSGFF-MRXNPFEDSA-N -2 3 357.410 2.310 20 0 FEADHL Cc1nc(C)c(CCC(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)c(=O)[n-]1 ZINC000830716460 604446371 /nfs/dbraw/zinc/44/63/71/604446371.db2.gz SBEFNOVDHQIARF-LLVKDONJSA-N -2 3 372.425 2.377 20 0 FEADHL CC[C@@](NC(=O)c1cc(NC(C)=O)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC000833642692 604527399 /nfs/dbraw/zinc/52/73/99/604527399.db2.gz GVOYMFMGRJIVGD-IBGZPJMESA-N -2 3 356.378 2.471 20 0 FEADHL CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000645946582 605015119 /nfs/dbraw/zinc/01/51/19/605015119.db2.gz CCHINCZGQRIEBF-VIFPVBQESA-N -2 3 356.425 2.280 20 0 FEADHL Cc1cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)ccc1NC(=O)[O-] ZINC000829975878 605832706 /nfs/dbraw/zinc/83/27/06/605832706.db2.gz ILGOJPUQJDVYLS-UHFFFAOYSA-N -2 3 362.363 2.260 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnc(Cl)c(C)c1 ZINC000822224198 606638055 /nfs/dbraw/zinc/63/80/55/606638055.db2.gz ZLNRBZQMQHAMBR-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000820438511 606891754 /nfs/dbraw/zinc/89/17/54/606891754.db2.gz QXMDPUBLYAYPMJ-VIFPVBQESA-N -2 3 371.413 2.392 20 0 FEADHL CCc1cccc(CC)c1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000821491917 607026229 /nfs/dbraw/zinc/02/62/29/607026229.db2.gz CJBRCHBGRLDSQS-UHFFFAOYSA-N -2 3 364.456 2.249 20 0 FEADHL O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cc(F)cc(Cl)c1[O-] ZINC000823238616 607211062 /nfs/dbraw/zinc/21/10/62/607211062.db2.gz QSBIUSMLGCOSJS-UHFFFAOYSA-N -2 3 365.727 2.434 20 0 FEADHL O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cc(F)cc(Cl)c1[O-] ZINC000823238616 607211063 /nfs/dbraw/zinc/21/10/63/607211063.db2.gz QSBIUSMLGCOSJS-UHFFFAOYSA-N -2 3 365.727 2.434 20 0 FEADHL O=S(=O)([N-]c1cncc2ccccc21)c1ccccc1-c1nnn[n-]1 ZINC000826493078 607983098 /nfs/dbraw/zinc/98/30/98/607983098.db2.gz SAYOGRROGHOGPG-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=S(=O)([N-]c1cncc2ccccc21)c1ccccc1-c1nn[n-]n1 ZINC000826493078 607983099 /nfs/dbraw/zinc/98/30/99/607983099.db2.gz SAYOGRROGHOGPG-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nnn[n-]3)c2)o1 ZINC000826292738 608294694 /nfs/dbraw/zinc/29/46/94/608294694.db2.gz JTIQTRCUYCAUAX-UHFFFAOYSA-N -2 3 363.399 2.356 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nn[n-]n3)c2)o1 ZINC000826292738 608294697 /nfs/dbraw/zinc/29/46/97/608294697.db2.gz JTIQTRCUYCAUAX-UHFFFAOYSA-N -2 3 363.399 2.356 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826221458 609338153 /nfs/dbraw/zinc/33/81/53/609338153.db2.gz HATHLSXICGXQCW-UHFFFAOYSA-N -2 3 371.831 2.391 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826221458 609338155 /nfs/dbraw/zinc/33/81/55/609338155.db2.gz HATHLSXICGXQCW-UHFFFAOYSA-N -2 3 371.831 2.391 20 0 FEADHL CC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCCCCC1 ZINC000824784692 609352576 /nfs/dbraw/zinc/35/25/76/609352576.db2.gz ZFDFOSYFDMPRSQ-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL CC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCCCCC1 ZINC000824784692 609352578 /nfs/dbraw/zinc/35/25/78/609352578.db2.gz ZFDFOSYFDMPRSQ-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000562982635 674830657 /nfs/dbraw/zinc/83/06/57/674830657.db2.gz VUFXIXDQGCTLTK-UWVGGRQHSA-N -2 3 366.361 2.412 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccccc1F ZINC000563076409 674845875 /nfs/dbraw/zinc/84/58/75/674845875.db2.gz YGWHFNLOLFTMGZ-UHFFFAOYSA-N -2 3 358.416 2.237 20 0 FEADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])CC1 ZINC000563346706 674875284 /nfs/dbraw/zinc/87/52/84/674875284.db2.gz TUYKWRGRRJPWTD-UHFFFAOYSA-N -2 3 359.375 2.060 20 0 FEADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000049124774 670275677 /nfs/dbraw/zinc/27/56/77/670275677.db2.gz LUICJPOMDJPPRN-UHFFFAOYSA-N -2 3 364.265 2.050 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC000569118134 670513074 /nfs/dbraw/zinc/51/30/74/670513074.db2.gz PSUSKXXZGJHRIF-HNNXBMFYSA-N -2 3 356.375 2.099 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CCSC[C@@H](C(=O)[O-])C3)nc2)n1 ZINC000569248271 670531860 /nfs/dbraw/zinc/53/18/60/670531860.db2.gz LYSWBBVBDMNLEE-LBPRGKRZSA-N -2 3 360.439 2.061 20 0 FEADHL CCc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)on1 ZINC000565429190 675120758 /nfs/dbraw/zinc/12/07/58/675120758.db2.gz XBXULXKMSQCGJX-UHFFFAOYSA-N -2 3 358.803 2.376 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)[C@@H]2COc3ccccc32)cc1C(=O)[O-] ZINC000571162064 670827232 /nfs/dbraw/zinc/82/72/32/670827232.db2.gz ATWOIUSEBFLEFF-ZANVPECISA-N -2 3 351.380 2.129 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc([S@](C)=O)cc2)cc1C(=O)[O-] ZINC000572599205 671021743 /nfs/dbraw/zinc/02/17/43/671021743.db2.gz SMYYBQNKXVSSPD-WBNWAKSLSA-N -2 3 371.436 2.063 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCCC(=O)[O-])c(F)cc1Br ZINC000582473815 672004536 /nfs/dbraw/zinc/00/45/36/672004536.db2.gz CBFUXEJDLXGRQI-UHFFFAOYSA-N -2 3 354.197 2.040 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000681573048 672674529 /nfs/dbraw/zinc/67/45/29/672674529.db2.gz XKOBDXYVFLFPSL-GFCCVEGCSA-N -2 3 372.830 2.482 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc(C(=O)[O-])c1F ZINC000326947035 673056445 /nfs/dbraw/zinc/05/64/45/673056445.db2.gz INPVOJSHHWNKAW-UHFFFAOYSA-N -2 3 367.358 2.124 20 0 FEADHL CCOC(=O)[C@@]1([N-]S(=O)(=O)c2ccccc2[O-])CCc2ccccc21 ZINC000594753769 673130307 /nfs/dbraw/zinc/13/03/07/673130307.db2.gz NAGGDYOMTZIKKE-GOSISDBHSA-N -2 3 361.419 2.075 20 0 FEADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427338009 673211020 /nfs/dbraw/zinc/21/10/20/673211020.db2.gz OCRWIQRTTGRPKH-UHFFFAOYSA-N -3 3 357.290 2.162 20 0 FEADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000542841709 673609842 /nfs/dbraw/zinc/60/98/42/673609842.db2.gz QZOUAEBEKAMELR-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL COc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc(Cl)c1[O-] ZINC000614387113 676173009 /nfs/dbraw/zinc/17/30/09/676173009.db2.gz LKOXDTWXAJMPAY-QMMMGPOBSA-N -2 3 353.762 2.163 20 0 FEADHL CCc1cc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)on1 ZINC000546254178 673797991 /nfs/dbraw/zinc/79/79/91/673797991.db2.gz SMEALTYHRAINMW-UHFFFAOYSA-N -2 3 358.803 2.376 20 0 FEADHL O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000547559152 673863350 /nfs/dbraw/zinc/86/33/50/673863350.db2.gz YFZQALLSXLKACF-WPRPVWTQSA-N -2 3 368.238 2.152 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C1CCC1 ZINC000547590019 673869905 /nfs/dbraw/zinc/86/99/05/673869905.db2.gz XZHISNBRJICZFR-NSHDSACASA-N -2 3 366.208 2.120 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000547618105 673875871 /nfs/dbraw/zinc/87/58/71/673875871.db2.gz VEULKLXGYLBPCU-YGRLFVJLSA-N -2 3 354.453 2.446 20 0 FEADHL COCC[C@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000548207232 673934783 /nfs/dbraw/zinc/93/47/83/673934783.db2.gz HELFPODXKDNTQQ-NSHDSACASA-N -2 3 361.803 2.163 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548534981 673967090 /nfs/dbraw/zinc/96/70/90/673967090.db2.gz QHWZBPFZWACBFX-MFKMUULPSA-N -2 3 371.386 2.038 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CCC1 ZINC000548560078 673972194 /nfs/dbraw/zinc/97/21/94/673972194.db2.gz PNLFYGGEDPCODC-LLVKDONJSA-N -2 3 355.309 2.376 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2CCOc3ccccc32)cc1C(=O)[O-] ZINC000567805496 675325079 /nfs/dbraw/zinc/32/50/79/675325079.db2.gz HIJHRDPIXJXMPY-NSHDSACASA-N -2 3 351.380 2.131 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000567809109 675325431 /nfs/dbraw/zinc/32/54/31/675325431.db2.gz IRFLSEUVBCOFML-AAEUAGOBSA-N -2 3 368.480 2.316 20 0 FEADHL C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CC[C@H]1C(=O)[O-] ZINC000626754886 676720896 /nfs/dbraw/zinc/72/08/96/676720896.db2.gz ASAFHSVXDKXVPU-GXSJLCMTSA-N -2 3 371.231 2.407 20 0 FEADHL COCCOCc1ccc([N-]S(=O)(=O)c2cc([O-])cc(F)c2)cc1 ZINC000634794052 677082901 /nfs/dbraw/zinc/08/29/01/677082901.db2.gz LSTONMPFVVXTEG-UHFFFAOYSA-N -2 3 355.387 2.495 20 0 FEADHL Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000645956333 677275794 /nfs/dbraw/zinc/27/57/94/677275794.db2.gz QUHTZNOTOMFRIT-LLVKDONJSA-N -2 3 370.452 2.204 20 0 FEADHL CC[C@H](OCC[N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1 ZINC000650440660 677375161 /nfs/dbraw/zinc/37/51/61/677375161.db2.gz HDXLKAKUFBGACI-LBPRGKRZSA-N -2 3 370.452 2.288 20 0 FEADHL Cc1nc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c(-c2ccccc2)s1 ZINC000663288881 678714849 /nfs/dbraw/zinc/71/48/49/678714849.db2.gz GYBMAXITXKYOTC-LLVKDONJSA-N -2 3 358.416 2.210 20 0 FEADHL COc1ccccc1C1(C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000663422484 678734692 /nfs/dbraw/zinc/73/46/92/678734692.db2.gz IRTUPUSONVBPAI-UHFFFAOYSA-N -2 3 365.407 2.305 20 0 FEADHL COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000663423354 678735261 /nfs/dbraw/zinc/73/52/61/678735261.db2.gz TVLKKSLLYYACLX-LLVKDONJSA-N -2 3 353.396 2.204 20 0 FEADHL Cc1cccnc1CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840892236 680850107 /nfs/dbraw/zinc/85/01/07/680850107.db2.gz ODRROWCIADMSPF-UHFFFAOYSA-N -2 3 370.377 2.278 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)[nH]n2)ccc1[O-] ZINC000675753019 679579009 /nfs/dbraw/zinc/57/90/09/679579009.db2.gz DUWBFQBRMWHAFH-UHFFFAOYSA-N -2 3 352.416 2.172 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C1CCCCC1 ZINC000833169581 680189302 /nfs/dbraw/zinc/18/93/02/680189302.db2.gz WMRSDENIVLTWMX-CYBMUJFWSA-N -2 3 351.346 2.416 20 0 FEADHL CCOC(=O)c1nc([C@@H](CC(C)C)[N-]C(=O)C(F)(F)C(F)F)n[n-]1 ZINC000834686233 680256647 /nfs/dbraw/zinc/25/66/47/680256647.db2.gz GLXAYQOXMAJKOT-SSDOTTSWSA-N -2 3 354.304 2.085 20 0 FEADHL C[C@@H](CSCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000843296308 680996305 /nfs/dbraw/zinc/99/63/05/680996305.db2.gz AHUPEHVIDJRVFB-ZETCQYMHSA-N -2 3 373.283 2.121 20 0 FEADHL CCCSC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000776488408 681396122 /nfs/dbraw/zinc/39/61/22/681396122.db2.gz ZWYLBHGHCNNXHP-VIFPVBQESA-N -2 3 373.283 2.263 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-])s1 ZINC000776591036 681412607 /nfs/dbraw/zinc/41/26/07/681412607.db2.gz WSGULYMSRQOUIA-ZCFIWIBFSA-N -2 3 356.263 2.208 20 0 FEADHL O=C([O-])[C@H](CC1CCOCC1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000776603603 681414504 /nfs/dbraw/zinc/41/45/04/681414504.db2.gz YGEYTNKMLUDVNU-LBPRGKRZSA-N -2 3 365.810 2.027 20 0 FEADHL Cc1ccccc1C[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000776623499 681419179 /nfs/dbraw/zinc/41/91/79/681419179.db2.gz JAPLYOVQIZOMRW-CYBMUJFWSA-N -2 3 368.842 2.265 20 0 FEADHL O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000864501271 683861040 /nfs/dbraw/zinc/86/10/40/683861040.db2.gz SSVYHECTGDKTTE-KNVOCYPGSA-N -2 3 368.636 2.244 20 0 FEADHL C[C@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCOC1 ZINC000871928938 684884202 /nfs/dbraw/zinc/88/42/02/684884202.db2.gz OGXVXPJFLVONBS-LBPRGKRZSA-N -2 3 354.211 2.149 20 0 FEADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000871995489 684907658 /nfs/dbraw/zinc/90/76/58/684907658.db2.gz ZDZLPCRDYCVBBY-CYZMBNFOSA-N -2 3 353.783 2.248 20 0 FEADHL O=C([O-])C1(CC(=O)NCc2ccc([O-])c(Br)c2)CCOCC1 ZINC000911595392 685230752 /nfs/dbraw/zinc/23/07/52/685230752.db2.gz NTDIUXKQHNFOHD-UHFFFAOYSA-N -2 3 372.215 2.042 20 0 FEADHL CCOCc1nc(C)cc(=N[N-]S(=O)(=O)c2c(F)cc(C)cc2F)[n-]1 ZINC000901732711 690685675 /nfs/dbraw/zinc/68/56/75/690685675.db2.gz KBJJZYMUARXPMW-UHFFFAOYSA-N -2 3 372.397 2.214 20 0 FEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC(C)(C)CC(F)F ZINC000902987965 690827626 /nfs/dbraw/zinc/82/76/26/690827626.db2.gz LWAKDRORJAPCPY-UHFFFAOYSA-N -2 3 357.400 2.415 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CCCC1 ZINC000903026675 690834371 /nfs/dbraw/zinc/83/43/71/690834371.db2.gz RKPFVGUWKVITSG-JTQLQIEISA-N -2 3 366.361 2.412 20 0 FEADHL Cc1cc2[n-]nc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)c2c(=O)n1C ZINC000903161428 690858588 /nfs/dbraw/zinc/85/85/88/690858588.db2.gz IGKWEYNQKKKYGW-UHFFFAOYSA-N -2 3 360.439 2.494 20 0 FEADHL C[C@@](CCF)([N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)C(=O)[O-] ZINC000903503039 690902454 /nfs/dbraw/zinc/90/24/54/690902454.db2.gz BNSJXEBGYNYVBD-AWEZNQCLSA-N -2 3 358.416 2.291 20 0 FEADHL O=C([O-])[C@]12C[C@H]1C[C@H]([N-]S(=O)(=O)c1cnc(-c3ccccc3)s1)C2 ZINC000903503481 690902975 /nfs/dbraw/zinc/90/29/75/690902975.db2.gz GSKSYXZTOVUBHI-WQGACYEGSA-N -2 3 364.448 2.342 20 0 FEADHL C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C1(C(=O)[O-])CCOCC1 ZINC000907914438 691582114 /nfs/dbraw/zinc/58/21/14/691582114.db2.gz IPPZOSIBGIPKKK-SECBINFHSA-N -2 3 361.316 2.411 20 0 FEADHL O=C([O-])[C@H](CC1CC1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000909159069 691787608 /nfs/dbraw/zinc/78/76/08/691787608.db2.gz IFYGMEMTXLOMNJ-NSHDSACASA-N -2 3 357.204 2.207 20 0 FEADHL COC1(C[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C(=O)[O-])CCC1 ZINC000909892636 691868056 /nfs/dbraw/zinc/86/80/56/691868056.db2.gz CXVMZOOTKHKBKR-AWEZNQCLSA-N -2 3 353.390 2.383 20 0 FEADHL C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000910170760 691896226 /nfs/dbraw/zinc/89/62/26/691896226.db2.gz NVMLHISRRPKTOJ-SNVBAGLBSA-N -2 3 360.332 2.032 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N[C@]3(C(=O)[O-])CCSC3)cc2)cc(=O)[n-]1 ZINC000562412293 939323837 /nfs/dbraw/zinc/32/38/37/939323837.db2.gz PCUZZFOQNOWVBL-QGZVFWFLSA-N -2 3 374.422 2.239 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N[C@@]3(C(=O)[O-])CCSC3)cc2)cc(=O)[n-]1 ZINC000562412292 939323999 /nfs/dbraw/zinc/32/39/99/939323999.db2.gz PCUZZFOQNOWVBL-KRWDZBQOSA-N -2 3 374.422 2.239 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c(Cl)n1 ZINC000800929806 674090972 /nfs/dbraw/zinc/09/09/72/674090972.db2.gz PSYHYJAFCFSDCZ-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000057115534 540769204 /nfs/dbraw/zinc/76/92/04/540769204.db2.gz ZULZGAMKAQAGBM-UHFFFAOYSA-N -2 3 358.416 2.306 20 0 FEADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c(C)c1 ZINC000068216253 541564292 /nfs/dbraw/zinc/56/42/92/541564292.db2.gz MAOVFBNFYYLICH-UHFFFAOYSA-N -2 3 374.418 2.468 20 0 FEADHL O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000070555982 541734564 /nfs/dbraw/zinc/73/45/64/541734564.db2.gz SJVWMWVKROTQNC-SFYZADRCSA-N -2 3 368.274 2.432 20 0 FEADHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Br ZINC000071392954 541766652 /nfs/dbraw/zinc/76/66/52/541766652.db2.gz YRNAWXUIQFNFQH-UHFFFAOYSA-N -2 3 374.216 2.288 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Br)s2)o1 ZINC000038018493 220846049 /nfs/dbraw/zinc/84/60/49/220846049.db2.gz ZOVLBTKPPALJMV-UHFFFAOYSA-N -2 3 366.214 2.280 20 0 FEADHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)(C(=O)[O-])C1 ZINC000551997248 674180379 /nfs/dbraw/zinc/18/03/79/674180379.db2.gz YECNCXCYLKBZJW-ZDUSSCGKSA-N -2 3 366.361 2.412 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCO2)c(Cl)cc1Cl ZINC000021800912 324396227 /nfs/dbraw/zinc/39/62/27/324396227.db2.gz MCOVDOARGPWVPI-SSDOTTSWSA-N -2 3 354.211 2.149 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000034936922 324485955 /nfs/dbraw/zinc/48/59/55/324485955.db2.gz MIHMQHQVSRYTOI-SNVBAGLBSA-N -2 3 370.652 2.490 20 0 FEADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161830533 327010287 /nfs/dbraw/zinc/01/02/87/327010287.db2.gz ZTVHZNYATBXZPZ-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL O=C(NCCNC(=O)c1cc(F)cc(Cl)c1[O-])c1ccc([O-])cc1 ZINC000177074057 327495717 /nfs/dbraw/zinc/49/57/17/327495717.db2.gz UPPIHAWUJUKASM-UHFFFAOYSA-N -2 3 352.749 2.050 20 0 FEADHL CS(=O)(=O)[N-]c1cc(NC(=O)C2CCC(C(=O)[O-])CC2)ccc1F ZINC000263010536 328908181 /nfs/dbraw/zinc/90/81/81/328908181.db2.gz YQKRJWPEXUYRJG-UHFFFAOYSA-N -2 3 358.391 2.027 20 0 FEADHL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000268266152 329403079 /nfs/dbraw/zinc/40/30/79/329403079.db2.gz MGQUHQFOULJUMD-AWEZNQCLSA-N -2 3 355.412 2.045 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccnc2OC(C)C)ccc1[O-] ZINC000268779065 329455152 /nfs/dbraw/zinc/45/51/52/329455152.db2.gz OVEWRRJFCVBCCL-UHFFFAOYSA-N -2 3 365.411 2.334 20 0 FEADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000274934955 329994176 /nfs/dbraw/zinc/99/41/76/329994176.db2.gz DZMZYLDULPCUSP-GFCCVEGCSA-N -2 3 368.224 2.367 20 0 FEADHL CSCC[C@H]([N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl)C(=O)[O-] ZINC000274942883 329995223 /nfs/dbraw/zinc/99/52/23/329995223.db2.gz RFWPNYABEFNIJT-NSHDSACASA-N -2 3 365.860 2.027 20 0 FEADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)cc1Cl ZINC000275052015 330005625 /nfs/dbraw/zinc/00/56/25/330005625.db2.gz SLUYXZUDQFRQED-YUMQZZPRSA-N -2 3 366.222 2.310 20 0 FEADHL CCOC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000275450805 330050309 /nfs/dbraw/zinc/05/03/09/330050309.db2.gz IWCLGAMPGGNRPJ-UHFFFAOYSA-N -2 3 353.799 2.271 20 0 FEADHL CCOC1CC(CC[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)C1 ZINC000276533210 330162059 /nfs/dbraw/zinc/16/20/59/330162059.db2.gz JHKRDIKAKOYMQC-UHFFFAOYSA-N -2 3 359.419 2.316 20 0 FEADHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000297134143 330195447 /nfs/dbraw/zinc/19/54/47/330195447.db2.gz HOXAHMJIXWPICQ-ZETCQYMHSA-N -2 3 356.263 2.290 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCC1 ZINC000554432424 674316817 /nfs/dbraw/zinc/31/68/17/674316817.db2.gz CFKHBXGPIIIOFJ-UHFFFAOYSA-N -2 3 357.281 2.010 20 0 FEADHL O=C(N=c1[n-]nc(-c2ccco2)s1)NCc1nnc(C(F)(F)F)[n-]1 ZINC000480368716 538852762 /nfs/dbraw/zinc/85/27/62/538852762.db2.gz ZANCRDHXZUCXNU-UHFFFAOYSA-N -2 3 359.293 2.257 20 0 FEADHL O=C(N=c1[n-]nc(-c2ccco2)s1)NCc1n[n-]c(C(F)(F)F)n1 ZINC000480368716 538852768 /nfs/dbraw/zinc/85/27/68/538852768.db2.gz ZANCRDHXZUCXNU-UHFFFAOYSA-N -2 3 359.293 2.257 20 0 FEADHL O=C(N=c1[n-]nc(-c2ccco2)s1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000480368716 538852773 /nfs/dbraw/zinc/85/27/73/538852773.db2.gz ZANCRDHXZUCXNU-UHFFFAOYSA-N -2 3 359.293 2.257 20 0 FEADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161812832 546134393 /nfs/dbraw/zinc/13/43/93/546134393.db2.gz MYENSYPSBWLXOX-UHFFFAOYSA-N -2 3 354.197 2.120 20 0 FEADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000481592557 561236839 /nfs/dbraw/zinc/23/68/39/561236839.db2.gz CZAQLMRGMUILDH-UHFFFAOYSA-N -2 3 373.438 2.380 20 0 FEADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000481592557 561236840 /nfs/dbraw/zinc/23/68/40/561236840.db2.gz CZAQLMRGMUILDH-UHFFFAOYSA-N -2 3 373.438 2.380 20 0 FEADHL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000481611480 561237282 /nfs/dbraw/zinc/23/72/82/561237282.db2.gz KNTOHTMZXHDXCG-UHFFFAOYSA-N -2 3 350.396 2.468 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@@H](C)C2)c1 ZINC000248882421 549520751 /nfs/dbraw/zinc/52/07/51/549520751.db2.gz PDGPRGPCWUTEGD-YPMHNXCESA-N -2 3 372.462 2.231 20 0 FEADHL CCC[C@@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(=O)[O-] ZINC000262694267 549839656 /nfs/dbraw/zinc/83/96/56/549839656.db2.gz WWZLYZNIYGWZFV-SNVBAGLBSA-N -2 3 371.436 2.220 20 0 FEADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000263108614 549878755 /nfs/dbraw/zinc/87/87/55/549878755.db2.gz KXKAGMTUFBGBFP-SECBINFHSA-N -2 3 355.334 2.205 20 0 FEADHL C[C@H](C(=O)[O-])N1CC[C@@H](c2ccc(F)cc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000263571881 549909726 /nfs/dbraw/zinc/90/97/26/549909726.db2.gz KAPBGMYAIGPAJF-JIMOISOXSA-N -2 3 362.323 2.135 20 0 FEADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2occc2-c2ccccc2)s1 ZINC000492148423 561449742 /nfs/dbraw/zinc/44/97/42/561449742.db2.gz WDWSXODDPBXTMN-UHFFFAOYSA-N -2 3 364.408 2.422 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C)c1ccc(C)o1 ZINC000273728439 550509536 /nfs/dbraw/zinc/50/95/36/550509536.db2.gz RKCPQJMMWRPQAG-CYBMUJFWSA-N -2 3 353.396 2.261 20 0 FEADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000287327019 551990155 /nfs/dbraw/zinc/99/01/55/551990155.db2.gz VRFSNNZLLRJFRU-SSDOTTSWSA-N -2 3 359.297 2.256 20 0 FEADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000297200160 553262944 /nfs/dbraw/zinc/26/29/44/553262944.db2.gz MQWHKIMYQIMSIL-SNVBAGLBSA-N -2 3 363.819 2.048 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)ccc1OC ZINC000504230444 561654779 /nfs/dbraw/zinc/65/47/79/561654779.db2.gz RMVAHTATQORRLJ-UHFFFAOYSA-N -2 3 355.343 2.127 20 0 FEADHL Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000504236902 561654854 /nfs/dbraw/zinc/65/48/54/561654854.db2.gz WKWAHAGEKATEGB-UHFFFAOYSA-N -2 3 372.406 2.383 20 0 FEADHL Cc1nn(C)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1Br ZINC000504743254 561661870 /nfs/dbraw/zinc/66/18/70/561661870.db2.gz UMZQPOOZAIWYRZ-SNAWJCMRSA-N -2 3 367.203 2.093 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1)c1nccs1 ZINC000321866358 553767479 /nfs/dbraw/zinc/76/74/79/553767479.db2.gz NNKYKZMBKDMREX-GFCCVEGCSA-N -2 3 356.425 2.036 20 0 FEADHL COc1cccc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000325802644 553777814 /nfs/dbraw/zinc/77/78/14/553777814.db2.gz FLEATNPIUWGZAX-UHFFFAOYSA-N -2 3 353.371 2.054 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c([O-])c1 ZINC000531045822 562433007 /nfs/dbraw/zinc/43/30/07/562433007.db2.gz BAWNYWANXPLLOK-UHFFFAOYSA-N -3 3 355.343 2.050 20 0 FEADHL Cc1cc(C)c2[n-]cc(C(=O)N3CCCC[C@@H]3c3n[nH]c(=O)[n-]3)c(=O)c2c1 ZINC000333493156 554618367 /nfs/dbraw/zinc/61/83/67/554618367.db2.gz GXFNBBSUERMHDW-CQSZACIVSA-N -2 3 367.409 2.336 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)c(C)c1C(=O)[O-] ZINC000512752012 561914110 /nfs/dbraw/zinc/91/41/10/561914110.db2.gz JBFMJUJVRAZTOQ-UHFFFAOYSA-N -2 3 363.395 2.293 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(C)(C)C ZINC000517287075 562084308 /nfs/dbraw/zinc/08/43/08/562084308.db2.gz KRYWOCCAVMWTBH-CYBMUJFWSA-N -2 3 366.480 2.300 20 0 FEADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC3(CCC3)C2)c1 ZINC000372262482 557423980 /nfs/dbraw/zinc/42/39/80/557423980.db2.gz RBXSQTYHRLPGAF-SWLSCSKDSA-N -2 3 371.430 2.215 20 0 FEADHL Cc1csc(S(=O)(=O)[N-]C[C@H](Cc2cccc(F)c2)C(=O)[O-])c1 ZINC000520806124 562164245 /nfs/dbraw/zinc/16/42/45/562164245.db2.gz BZFIUXANERBMAM-LBPRGKRZSA-N -2 3 357.428 2.417 20 0 FEADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2sccc2Br)c1 ZINC000526950792 562270539 /nfs/dbraw/zinc/27/05/39/562270539.db2.gz HOYNFPVCLMITAL-UHFFFAOYSA-N -2 3 366.214 2.280 20 0 FEADHL COC(=O)[C@H](CN=c1nc(C2CC2)[n-]s1)Cc1ccc([O-])c(F)c1 ZINC000420638515 559494661 /nfs/dbraw/zinc/49/46/61/559494661.db2.gz QHWGATIJAFGTQH-NSHDSACASA-N -2 3 351.403 2.126 20 0 FEADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000421402537 559541415 /nfs/dbraw/zinc/54/14/15/559541415.db2.gz CPFNEWAVCHOYNW-UHFFFAOYSA-N -2 3 355.334 2.350 20 0 FEADHL O=C(c1ccc(Br)c([O-])c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425320880 559696360 /nfs/dbraw/zinc/69/63/60/559696360.db2.gz LTPFENGTTRXJSC-UHFFFAOYSA-N -2 3 368.187 2.263 20 0 FEADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427293527 559752512 /nfs/dbraw/zinc/75/25/12/559752512.db2.gz CGUVLGHXWOBDNN-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccccc2C(=O)[O-])CCCCC1 ZINC000427336835 559753683 /nfs/dbraw/zinc/75/36/83/559753683.db2.gz SHZVKSGPBWYELA-UHFFFAOYSA-N -2 3 355.412 2.250 20 0 FEADHL Cc1ccc(NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)cc1C(=O)[O-] ZINC000431534197 559840989 /nfs/dbraw/zinc/84/09/89/559840989.db2.gz AKAHJOZKAANNQG-LJQANCHMSA-N -2 3 367.361 2.000 20 0 FEADHL CCc1cccc(S(=O)(=O)[N-]c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000433505699 559883335 /nfs/dbraw/zinc/88/33/35/559883335.db2.gz BSLKIHAVAZRJAR-SFHVURJKSA-N -2 3 373.434 2.104 20 0 FEADHL CCOCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000433522815 559883499 /nfs/dbraw/zinc/88/34/99/559883499.db2.gz WPXZHJAUVBCCBN-UHFFFAOYSA-N -3 3 351.380 2.428 20 0 FEADHL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000436176717 559936837 /nfs/dbraw/zinc/93/68/37/559936837.db2.gz JCRZMCBQQQDTBE-UHFFFAOYSA-N -3 3 371.392 2.048 20 0 FEADHL O=C(Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1)c1ccc([O-])c(Cl)c1 ZINC000436647708 559947563 /nfs/dbraw/zinc/94/75/63/559947563.db2.gz NEENEOAYTYDEJB-ZDUSSCGKSA-N -2 3 359.769 2.048 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c1 ZINC000436993459 559958883 /nfs/dbraw/zinc/95/88/83/559958883.db2.gz CHXQCPRHJLDISX-UHFFFAOYSA-N -3 3 359.363 2.077 20 0 FEADHL CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1F ZINC000441358702 560029838 /nfs/dbraw/zinc/02/98/38/560029838.db2.gz VPMPSNMZDTWSNB-UHFFFAOYSA-N -2 3 373.431 2.172 20 0 FEADHL O=C(NCC1(NC(=O)c2cc(F)ccc2[O-])CC1)c1cc(F)ccc1[O-] ZINC000446586476 560147965 /nfs/dbraw/zinc/14/79/65/560147965.db2.gz ODSVZKKFCWLRSU-UHFFFAOYSA-N -2 3 362.332 2.068 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@H]2N(C)CCCC2(C)C)c1 ZINC000448179364 560180030 /nfs/dbraw/zinc/18/00/30/560180030.db2.gz JUUFXUXSWOEUIL-CQSZACIVSA-N -2 3 372.462 2.231 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C2CCCC2)c(F)c1 ZINC000450975822 560280827 /nfs/dbraw/zinc/28/08/27/560280827.db2.gz YFDPUMHZVXXTBQ-UHFFFAOYSA-N -2 3 364.464 2.198 20 0 FEADHL CC(C)(OC(C)(C)C(=O)Nc1ncccc1[O-])C(=O)Nc1ncccc1[O-] ZINC000456010585 560504309 /nfs/dbraw/zinc/50/43/09/560504309.db2.gz RFBZQZALAWUVGK-UHFFFAOYSA-N -2 3 374.397 2.039 20 0 FEADHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1 ZINC000464835889 560852886 /nfs/dbraw/zinc/85/28/86/560852886.db2.gz JKQQZUNNEZJXHD-UHFFFAOYSA-N -2 3 374.415 2.012 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc[nH]3)c2)cc1 ZINC000470244130 560977393 /nfs/dbraw/zinc/97/73/93/560977393.db2.gz USKGLFDOIARBAE-UHFFFAOYSA-N -2 3 362.342 2.110 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cc1Cl ZINC000474407666 561073389 /nfs/dbraw/zinc/07/33/89/561073389.db2.gz FFJTVVJRJMQTBL-UHFFFAOYSA-N -2 3 352.759 2.110 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)cc1Cl ZINC000474407666 561073390 /nfs/dbraw/zinc/07/33/90/561073390.db2.gz FFJTVVJRJMQTBL-UHFFFAOYSA-N -2 3 352.759 2.110 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000532001683 562463676 /nfs/dbraw/zinc/46/36/76/562463676.db2.gz MJYMJUPBHYYNRK-JTQLQIEISA-N -2 3 368.436 2.060 20 0 FEADHL COc1ccnc2c([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])cccc12 ZINC000534317186 562531378 /nfs/dbraw/zinc/53/13/78/562531378.db2.gz ATOBIORJGKBVKZ-UHFFFAOYSA-N -3 3 374.374 2.448 20 0 FEADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000540982960 562599470 /nfs/dbraw/zinc/59/94/70/562599470.db2.gz ZQXFULVNFSHGTA-LBPRGKRZSA-N -2 3 368.224 2.367 20 0 FEADHL COc1cccc(CC[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c1 ZINC000545555902 562628766 /nfs/dbraw/zinc/62/87/66/562628766.db2.gz JTDPJCDWQBGCTL-UHFFFAOYSA-N -2 3 367.398 2.362 20 0 FEADHL CO[C@H](C)c1nc(=NC(=O)Cc2ccc(Br)cc2[O-])s[n-]1 ZINC000549781821 562639776 /nfs/dbraw/zinc/63/97/76/562639776.db2.gz LDKWLNPGWUVJKJ-SSDOTTSWSA-N -2 3 372.244 2.317 20 0 FEADHL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000735503022 598946739 /nfs/dbraw/zinc/94/67/39/598946739.db2.gz FOWCASQTSSAEJE-UHFFFAOYSA-N -2 3 357.395 2.179 20 0 FEADHL Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)s1 ZINC000822431835 607255674 /nfs/dbraw/zinc/25/56/74/607255674.db2.gz LLPVSNBXGGUEQL-UHFFFAOYSA-N -2 3 350.429 2.049 20 0 FEADHL Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)s1 ZINC000822431835 607255675 /nfs/dbraw/zinc/25/56/75/607255675.db2.gz LLPVSNBXGGUEQL-UHFFFAOYSA-N -2 3 350.429 2.049 20 0 FEADHL COc1ccc(NCc2cccc(C(=O)[O-])c2)cc1[N-]S(C)(=O)=O ZINC000820846123 598204726 /nfs/dbraw/zinc/20/47/26/598204726.db2.gz SQBNVTBGUPZKCA-UHFFFAOYSA-N -2 3 350.396 2.377 20 0 FEADHL CC(C)n1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC000735961371 598451561 /nfs/dbraw/zinc/45/15/61/598451561.db2.gz QGMKERJEHSAHEC-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL CC(C)n1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC000735961371 598451563 /nfs/dbraw/zinc/45/15/63/598451563.db2.gz QGMKERJEHSAHEC-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)cc(F)c1 ZINC000738343415 598595777 /nfs/dbraw/zinc/59/57/77/598595777.db2.gz YUCLGZKUIDTFRJ-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)cc(F)c1 ZINC000738343415 598595779 /nfs/dbraw/zinc/59/57/79/598595779.db2.gz YUCLGZKUIDTFRJ-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2c2ccccc2)o1 ZINC000579829419 599774257 /nfs/dbraw/zinc/77/42/57/599774257.db2.gz JBLNETZJAJDUEJ-CJNGLKHVSA-N -2 3 365.407 2.424 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(OCC(F)F)c2)o1 ZINC000740176408 599778448 /nfs/dbraw/zinc/77/84/48/599778448.db2.gz ALWLBEWFLRHSKF-UHFFFAOYSA-N -2 3 361.322 2.100 20 0 FEADHL O=C([O-])c1ccc(OCCNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000740165722 599921404 /nfs/dbraw/zinc/92/14/04/599921404.db2.gz PTBZDAYZEZPQEQ-UHFFFAOYSA-N -2 3 352.346 2.035 20 0 FEADHL O=C([O-])CC[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccc1 ZINC000739662399 599938921 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C[C@@H](NC(=O)[O-])c1ccc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000825403407 604281581 /nfs/dbraw/zinc/28/15/81/604281581.db2.gz WOLGGFUNRBDNFU-PBSOMRJOSA-N -2 3 365.389 2.416 20 0 FEADHL CCc1cccnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825728724 607695230 /nfs/dbraw/zinc/69/52/30/607695230.db2.gz XMBRUKBDVNABQN-UHFFFAOYSA-N -2 3 364.818 2.278 20 0 FEADHL CCc1cccnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825728724 607695232 /nfs/dbraw/zinc/69/52/32/607695232.db2.gz XMBRUKBDVNABQN-UHFFFAOYSA-N -2 3 364.818 2.278 20 0 FEADHL C[C@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)C1CCN(C(=O)[O-])CC1 ZINC000824710500 604741490 /nfs/dbraw/zinc/74/14/90/604741490.db2.gz JCSIZODIBINAID-LLVKDONJSA-N -2 3 358.402 2.221 20 0 FEADHL COc1cc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cc(OC)c1[O-] ZINC000833726837 604839710 /nfs/dbraw/zinc/83/97/10/604839710.db2.gz KHMAONIRXTWBGI-UHFFFAOYSA-N -2 3 357.362 2.306 20 0 FEADHL C[C@@H](OCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000577846099 605190964 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FEADHL O=S(=O)([N-]c1cccc(F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823588993 606865533 /nfs/dbraw/zinc/86/55/33/606865533.db2.gz HBQWHNBGMQVXHE-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1cccc(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823588993 606865535 /nfs/dbraw/zinc/86/55/35/606865535.db2.gz HBQWHNBGMQVXHE-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL COc1ccc(-c2nc(SCCCF)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821732839 606980426 /nfs/dbraw/zinc/98/04/26/606980426.db2.gz VLUPXTBOVSBVCM-UHFFFAOYSA-N -2 3 362.390 2.490 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823589265 607003309 /nfs/dbraw/zinc/00/33/09/607003309.db2.gz WJLPGFLOTSUYNJ-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823589265 607003311 /nfs/dbraw/zinc/00/33/11/607003311.db2.gz WJLPGFLOTSUYNJ-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL COc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826217414 609524562 /nfs/dbraw/zinc/52/45/62/609524562.db2.gz LHTDHPJCYUTAAS-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL COc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826217414 609524564 /nfs/dbraw/zinc/52/45/64/609524564.db2.gz LHTDHPJCYUTAAS-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000563954413 674957899 /nfs/dbraw/zinc/95/78/99/674957899.db2.gz FBERWBFOYIXRIT-UHFFFAOYSA-N -2 3 353.396 2.243 20 0 FEADHL O=C([N-]NC(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1)c1ccccc1F ZINC000047054574 670234387 /nfs/dbraw/zinc/23/43/87/670234387.db2.gz UKYPCZSTJWIDLM-UHFFFAOYSA-N -2 3 358.354 2.212 20 0 FEADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-][N-]C(=O)CCOc1ccccc1 ZINC000060838537 670389687 /nfs/dbraw/zinc/38/96/87/670389687.db2.gz XTPLBDFQEZPIMS-UHFFFAOYSA-N -2 3 368.842 2.427 20 0 FEADHL Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000572637146 671026529 /nfs/dbraw/zinc/02/65/29/671026529.db2.gz QWJCGPXRFINJCG-ZBFHGGJFSA-N -2 3 365.407 2.485 20 0 FEADHL O=C([O-])[C@@H](CF)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000573243957 671099268 /nfs/dbraw/zinc/09/92/68/671099268.db2.gz JPFLRQCHPYVJJR-LLVKDONJSA-N -2 3 365.810 2.220 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000573441535 671123007 /nfs/dbraw/zinc/12/30/07/671123007.db2.gz CRPDXNMDPZTYIL-DZGCQCFKSA-N -2 3 351.380 2.176 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000575745086 671317511 /nfs/dbraw/zinc/31/75/11/671317511.db2.gz GNIQGCUVTSZNIS-SWLSCSKDSA-N -2 3 365.407 2.424 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCCOc2cc(F)ccc21 ZINC000580188489 671789023 /nfs/dbraw/zinc/78/90/23/671789023.db2.gz VNVPGSVFSUFOML-SNVBAGLBSA-N -2 3 372.399 2.173 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(F)cc2)cc1C(=O)[O-] ZINC000580441343 671808076 /nfs/dbraw/zinc/80/80/76/671808076.db2.gz PGXSBHVLVLZLPB-VIFPVBQESA-N -2 3 357.359 2.171 20 0 FEADHL Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000583691536 672117967 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/nfs/dbraw/zinc/84/38/04/549843804.db2.gz UENYPJKUOYFABO-UHFFFAOYSA-N -2 3 354.428 2.196 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccnn2[C@H](C)C2CC2)ccc1[O-] ZINC000263833228 549943639 /nfs/dbraw/zinc/94/36/39/549943639.db2.gz DKAHOFCGRQVXGO-SNVBAGLBSA-N -2 3 365.411 2.147 20 0 FEADHL CCn1nc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1C1CC1 ZINC000268872737 550126085 /nfs/dbraw/zinc/12/60/85/550126085.db2.gz PKTVTTUCGOJWQM-UHFFFAOYSA-N -2 3 364.427 2.245 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCSC2)c(Cl)cc1F ZINC000273714450 550509019 /nfs/dbraw/zinc/50/90/19/550509019.db2.gz LOYBYBQKJKKXGO-SSDOTTSWSA-N -2 3 353.824 2.351 20 0 FEADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000274934958 550566050 /nfs/dbraw/zinc/56/60/50/550566050.db2.gz DZMZYLDULPCUSP-LBPRGKRZSA-N -2 3 368.224 2.367 20 0 FEADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000274957626 550567640 /nfs/dbraw/zinc/56/76/40/550567640.db2.gz ULOSGPSYQGHQQN-GFCCVEGCSA-N -2 3 357.457 2.095 20 0 FEADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]C3(C(=O)[O-])CCC3)s2)cs1 ZINC000282872323 551280156 /nfs/dbraw/zinc/28/01/56/551280156.db2.gz PDVHHOLOUFETEL-UHFFFAOYSA-N -2 3 358.466 2.466 20 0 FEADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000283915737 551449294 /nfs/dbraw/zinc/44/92/94/551449294.db2.gz KVMVBKIEGFRWJK-XCBNKYQSSA-N -2 3 355.865 2.337 20 0 FEADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC000530142326 562399655 /nfs/dbraw/zinc/39/96/55/562399655.db2.gz XTOIZODGTGTMNI-AWEZNQCLSA-N -2 3 371.846 2.297 20 0 FEADHL CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)o1 ZINC000291832247 552666360 /nfs/dbraw/zinc/66/63/60/552666360.db2.gz DFUAEULSGMOCPI-UHFFFAOYSA-N -2 3 356.375 2.251 20 0 FEADHL O=C([O-])c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000320738533 553765830 /nfs/dbraw/zinc/76/58/30/553765830.db2.gz AFWKDFSLWGBDGV-VIFPVBQESA-N -2 3 353.318 2.324 20 0 FEADHL O=C([O-])[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000323908524 553770608 /nfs/dbraw/zinc/77/06/08/553770608.db2.gz RFONNECNSJPCJB-ZDUSSCGKSA-N -2 3 373.789 2.159 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1C(N)=O ZINC000326905756 553784447 /nfs/dbraw/zinc/78/44/47/553784447.db2.gz LZXAXEDJDSLZIJ-UHFFFAOYSA-N -2 3 368.798 2.246 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1CO ZINC000327469654 553789224 /nfs/dbraw/zinc/78/92/24/553789224.db2.gz YVTPWXOYDLHTLM-UHFFFAOYSA-N -2 3 365.407 2.385 20 0 FEADHL CC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)ccc1F ZINC000507638594 561736294 /nfs/dbraw/zinc/73/62/94/561736294.db2.gz USSMKXGVAUXSPD-UHFFFAOYSA-N -2 3 367.354 2.293 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)ccc1C(=O)[O-] ZINC000507980920 561748082 /nfs/dbraw/zinc/74/80/82/561748082.db2.gz VOXIITKQSRDRDW-UHFFFAOYSA-N -2 3 360.391 2.013 20 0 FEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1F ZINC000509628895 561807972 /nfs/dbraw/zinc/80/79/72/561807972.db2.gz OIPNEGJGTNZHJH-UHFFFAOYSA-N -2 3 361.297 2.368 20 0 FEADHL O=C(c1cc(Br)ccc1[O-])N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332385725 554436155 /nfs/dbraw/zinc/43/61/55/554436155.db2.gz ZQQKVSPRBFWTNV-QMMMGPOBSA-N -2 3 368.187 2.263 20 0 FEADHL Cc1ccc(-n2[n-]c(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)cc2=O)cc1 ZINC000616824272 555343033 /nfs/dbraw/zinc/34/30/33/555343033.db2.gz CKMDJXGTARWZHQ-OAHLLOKOSA-N -2 3 353.382 2.301 20 0 FEADHL Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000514677573 561973608 /nfs/dbraw/zinc/97/36/08/561973608.db2.gz WLYVHJBTDNMPJF-MRVPVSSYSA-N -2 3 356.375 2.038 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1c(F)c(F)cc(F)c1F ZINC000367505489 556068637 /nfs/dbraw/zinc/06/86/37/556068637.db2.gz OKRBCLDZKIPIOT-UHFFFAOYSA-N -2 3 373.291 2.224 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1c(F)c(F)cc(F)c1F ZINC000367505489 556068640 /nfs/dbraw/zinc/06/86/40/556068640.db2.gz OKRBCLDZKIPIOT-UHFFFAOYSA-N -2 3 373.291 2.224 20 0 FEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)ccc21 ZINC000517346503 562086261 /nfs/dbraw/zinc/08/62/61/562086261.db2.gz UOEVVDUWFPZVEV-UHFFFAOYSA-N -2 3 354.746 2.164 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)o1 ZINC000519395078 562130899 /nfs/dbraw/zinc/13/08/99/562130899.db2.gz ZNMXKGXAXVPGLR-GXTWGEPZSA-N -2 3 351.380 2.176 20 0 FEADHL CN(C)c1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(=O)[O-])c1 ZINC000519577733 562135484 /nfs/dbraw/zinc/13/54/84/562135484.db2.gz WLHVPRGZTJHQME-UHFFFAOYSA-N -2 3 363.439 2.318 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)ccc1F ZINC000373088838 557625457 /nfs/dbraw/zinc/62/54/57/557625457.db2.gz RZVOCTPFPXKPEO-UHFFFAOYSA-N -2 3 362.342 2.110 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCO3)ccc1C(=O)[O-] ZINC000375648785 558062212 /nfs/dbraw/zinc/06/22/12/558062212.db2.gz ZHDDSUQLNXTJSK-UHFFFAOYSA-N -2 3 361.375 2.459 20 0 FEADHL C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000523727913 562218584 /nfs/dbraw/zinc/21/85/84/562218584.db2.gz UOLVTLKGFJNVCL-QFIPXVFZSA-N -2 3 353.421 2.064 20 0 FEADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000380128626 558602727 /nfs/dbraw/zinc/60/27/27/558602727.db2.gz MPHLIAYYZXGLBC-JTQLQIEISA-N -2 3 366.208 2.120 20 0 FEADHL CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000392206132 558616595 /nfs/dbraw/zinc/61/65/95/558616595.db2.gz DCKYYLZJRRIGPW-UHFFFAOYSA-N -2 3 362.407 2.029 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C1CCC1 ZINC000399220367 558627876 /nfs/dbraw/zinc/62/78/76/558627876.db2.gz UXKWAWLFFFZXOC-LLVKDONJSA-N -2 3 366.208 2.120 20 0 FEADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000408505130 558685266 /nfs/dbraw/zinc/68/52/66/558685266.db2.gz WDZOTRVALGBZOU-FRRDWIJNSA-N -2 3 362.455 2.369 20 0 FEADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000526045918 562265070 /nfs/dbraw/zinc/26/50/70/562265070.db2.gz HDZNQNQEFSVQDJ-UHFFFAOYSA-N -2 3 359.350 2.496 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1)C(F)F ZINC000414322585 559156081 /nfs/dbraw/zinc/15/60/81/559156081.db2.gz HEOSWPFFFCECJC-VIFPVBQESA-N -2 3 372.187 2.469 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl)C(F)F ZINC000414321788 559156196 /nfs/dbraw/zinc/15/61/96/559156196.db2.gz FMLPTAIWZDLRPO-MRVPVSSYSA-N -2 3 357.762 2.369 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000417434033 559362156 /nfs/dbraw/zinc/36/21/56/559362156.db2.gz WKUIITQAKGRHIE-SNVBAGLBSA-N -2 3 370.652 2.490 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)cc1C(=O)[O-] ZINC000435128290 559916757 /nfs/dbraw/zinc/91/67/57/559916757.db2.gz CKBYQBAOBJUEFJ-ZDUSSCGKSA-N -2 3 374.418 2.098 20 0 FEADHL COCc1cccc(S(=O)(=O)[N-]c2cc([O-])ccc2C(=O)OC)c1 ZINC000436477792 559942379 /nfs/dbraw/zinc/94/23/79/559942379.db2.gz MOKRPORZBSZLRP-UHFFFAOYSA-N -2 3 351.380 2.126 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000436668860 559948363 /nfs/dbraw/zinc/94/83/63/559948363.db2.gz YRSGDQZPIWKGLO-UHFFFAOYSA-N -2 3 355.343 2.127 20 0 FEADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C)cc(OC)c2[O-])c1 ZINC000436689618 559948965 /nfs/dbraw/zinc/94/89/65/559948965.db2.gz FMJZAXIINBZNPO-UHFFFAOYSA-N -2 3 365.407 2.461 20 0 FEADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2CCc3ccc(F)cc32)c1 ZINC000436880108 559955071 /nfs/dbraw/zinc/95/50/71/559955071.db2.gz ITOJCOGYOILMHB-UHFFFAOYSA-N -2 3 351.355 2.289 20 0 FEADHL CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000436992369 559958690 /nfs/dbraw/zinc/95/86/90/559958690.db2.gz VBODVUUIXHBDDV-UHFFFAOYSA-N -2 3 364.423 2.341 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc1C(=O)[O-] ZINC000440809366 560018605 /nfs/dbraw/zinc/01/86/05/560018605.db2.gz PBBUGDHLSWNTJH-UHFFFAOYSA-N -2 3 360.391 2.243 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-c2nc[nH]n2)c1 ZINC000466272223 560883223 /nfs/dbraw/zinc/88/32/23/560883223.db2.gz WNWYUHSUDRMRRF-UHFFFAOYSA-N -2 3 358.379 2.279 20 0 FEADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nc[nH]n3)c2)c1 ZINC000470236600 560977250 /nfs/dbraw/zinc/97/72/50/560977250.db2.gz HLQIVDRQTFVOCN-UHFFFAOYSA-N -2 3 362.342 2.110 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c(C)n1 ZINC000530801145 562424229 /nfs/dbraw/zinc/42/42/29/562424229.db2.gz XSIZYZPVGHMINH-UHFFFAOYSA-N -2 3 373.431 2.010 20 0 FEADHL C[C@]1(c2cccc(C(=O)Nc3cccc(Cl)c3[O-])c2)NC(=O)[N-]C1=O ZINC000532664857 562484907 /nfs/dbraw/zinc/48/49/07/562484907.db2.gz ZHWDQOOBXQUVMU-QGZVFWFLSA-N -2 3 359.769 2.353 20 0 FEADHL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000533691314 562516190 /nfs/dbraw/zinc/51/61/90/562516190.db2.gz GOIYIMKZJHYKBX-NXEZZACHSA-N -2 3 360.407 2.167 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)[O-])c(F)cc1F ZINC000534065504 562524669 /nfs/dbraw/zinc/52/46/69/562524669.db2.gz QYRJDZQQKIWXFO-CQSZACIVSA-N -2 3 355.362 2.247 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1Cl ZINC000535687446 562564149 /nfs/dbraw/zinc/56/41/49/562564149.db2.gz YUWGLXHSHXMRDS-UHFFFAOYSA-N -2 3 359.762 2.470 20 0 FEADHL Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000535766826 562567269 /nfs/dbraw/zinc/56/72/69/562567269.db2.gz RIBLUYJPOLCEFN-UHFFFAOYSA-N -2 3 359.400 2.044 20 0 FEADHL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC000541804112 562620031 /nfs/dbraw/zinc/62/00/31/562620031.db2.gz AWEWUBSGYAWAQQ-LLVKDONJSA-N -3 3 363.391 2.449 20 0 FEADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000806633657 674384465 /nfs/dbraw/zinc/38/44/65/674384465.db2.gz ZXWYVAONJYWNDK-UHFFFAOYSA-N -2 3 354.350 2.414 20 0 FEADHL O=S(=O)([N-]c1cc(Cl)ccc1O)c1ccccc1-c1nnn[n-]1 ZINC000738345935 598949391 /nfs/dbraw/zinc/94/93/91/598949391.db2.gz SJRNJFQVEKMXDL-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=S(=O)([N-]c1cc(Cl)ccc1O)c1ccccc1-c1nn[n-]n1 ZINC000738345935 598949393 /nfs/dbraw/zinc/94/93/93/598949393.db2.gz SJRNJFQVEKMXDL-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL Cc1c([N-]S(=O)(=O)c2ccc(Cl)nc2)cccc1-c1nn[n-]n1 ZINC000822123238 607254968 /nfs/dbraw/zinc/25/49/68/607254968.db2.gz XCVACFHYSIHHDY-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1CC1 ZINC000124814504 602148134 /nfs/dbraw/zinc/14/81/34/602148134.db2.gz IIOMAALYTJZPON-ZCFIWIBFSA-N -2 3 352.206 2.065 20 0 FEADHL CC(C)Oc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1-c1nnn[n-]1 ZINC000820159889 607366930 /nfs/dbraw/zinc/36/69/30/607366930.db2.gz BEWDOPYYSKDRLK-UHFFFAOYSA-N -2 3 361.402 2.483 20 0 FEADHL CC(C)Oc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1-c1nn[n-]n1 ZINC000820159889 607366931 /nfs/dbraw/zinc/36/69/31/607366931.db2.gz BEWDOPYYSKDRLK-UHFFFAOYSA-N -2 3 361.402 2.483 20 0 FEADHL O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc([O-])c(Cl)c1 ZINC000823214811 599469547 /nfs/dbraw/zinc/46/95/47/599469547.db2.gz BUKQQWSAZILNFQ-UHFFFAOYSA-N -2 3 359.773 2.035 20 0 FEADHL Cc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822478126 599691797 /nfs/dbraw/zinc/69/17/97/599691797.db2.gz RBNYCTKQJMITEG-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822478126 599691798 /nfs/dbraw/zinc/69/17/98/599691798.db2.gz RBNYCTKQJMITEG-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=C(NCc1cccc(-c2nnn[n-]2)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000823257363 599693148 /nfs/dbraw/zinc/69/31/48/599693148.db2.gz KAENOALPZYRXIP-UHFFFAOYSA-N -2 3 352.379 2.227 20 0 FEADHL O=C(NCc1cccc(-c2nn[n-]n2)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000823257363 599693149 /nfs/dbraw/zinc/69/31/49/599693149.db2.gz KAENOALPZYRXIP-UHFFFAOYSA-N -2 3 352.379 2.227 20 0 FEADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)C(=O)[O-])cc1 ZINC000738569143 600170146 /nfs/dbraw/zinc/17/01/46/600170146.db2.gz DIHNQAAEXRIJNJ-ZDUSSCGKSA-N -2 3 355.362 2.420 20 0 FEADHL Cc1ccc([C@H](CNC(=O)c2nnc3ccccc3c2[O-])C(=O)[O-])cc1 ZINC000738568937 600364434 /nfs/dbraw/zinc/36/44/34/600364434.db2.gz AJSVBCMHVDMFJF-AWEZNQCLSA-N -2 3 351.362 2.242 20 0 FEADHL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000737169043 600500264 /nfs/dbraw/zinc/50/02/64/600500264.db2.gz WZNAENNWRUWAJL-ZDUSSCGKSA-N -2 3 360.410 2.118 20 0 FEADHL Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)cc1 ZINC000832939158 600780564 /nfs/dbraw/zinc/78/05/64/600780564.db2.gz MFPPJERSJTWUKK-CYBMUJFWSA-N -2 3 364.423 2.234 20 0 FEADHL COc1ccc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000392271929 600990214 /nfs/dbraw/zinc/99/02/14/600990214.db2.gz VEMIEVCUDSZSGT-UHFFFAOYSA-N -2 3 371.361 2.193 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]CCc2nc3ccccc3s2)cc1C(=O)[O-] ZINC000833026499 601215258 /nfs/dbraw/zinc/21/52/58/601215258.db2.gz GPOCDSKJRIPBJW-UHFFFAOYSA-N -2 3 366.420 2.417 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Oc1ccccc1F ZINC000576820262 601217924 /nfs/dbraw/zinc/21/79/24/601217924.db2.gz RBHRHASJMBYCIZ-JTQLQIEISA-N -2 3 357.359 2.253 20 0 FEADHL CC(C)CCOCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000320212121 601232347 /nfs/dbraw/zinc/23/23/47/601232347.db2.gz FMNRDENGZBUEOS-UHFFFAOYSA-N -2 3 351.371 2.004 20 0 FEADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Oc1ccccc1 ZINC000827507642 601235884 /nfs/dbraw/zinc/23/58/84/601235884.db2.gz NKPQUXXOWXJNMA-JTQLQIEISA-N -2 3 371.361 2.409 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccc(C)o1 ZINC000761308194 601261668 /nfs/dbraw/zinc/26/16/68/601261668.db2.gz DVUIWGOYBWDYME-CYBMUJFWSA-N -2 3 357.359 2.091 20 0 FEADHL CCc1cccc(C(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1[O-] ZINC000830260108 601291157 /nfs/dbraw/zinc/29/11/57/601291157.db2.gz RECFQFIBODINKH-CYBMUJFWSA-N -2 3 374.418 2.250 20 0 FEADHL COc1ccc2c(c1)[n-]cc(C(=O)Nc1nc(C)c(C(=O)[O-])s1)c2=O ZINC000832487080 601435927 /nfs/dbraw/zinc/43/59/27/601435927.db2.gz OVLBVEOHXTXNSW-UHFFFAOYSA-N -2 3 359.363 2.252 20 0 FEADHL O=C([O-])c1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1F ZINC000833313621 601618192 /nfs/dbraw/zinc/61/81/92/601618192.db2.gz BXLYCBUHZDFVPB-UHFFFAOYSA-N -2 3 358.369 2.188 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)C[C@H](O)c2ccccc2)cc1C(=O)[O-] ZINC000833027523 601884953 /nfs/dbraw/zinc/88/49/53/601884953.db2.gz GMTKSDBKKGDUQN-YGRLFVJLSA-N -2 3 353.396 2.077 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3(NC(=O)[O-])CCCC3)cc2)n1 ZINC000740053675 601910401 /nfs/dbraw/zinc/91/04/01/601910401.db2.gz GPVWJZARYKEMFT-UHFFFAOYSA-N -2 3 356.382 2.264 20 0 FEADHL CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccc(C(=O)[O-])s2)ccc1F ZINC000832699661 602006527 /nfs/dbraw/zinc/00/65/27/602006527.db2.gz NPHTUCCIPMBZMY-UHFFFAOYSA-N -2 3 373.383 2.314 20 0 FEADHL CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000739238736 602139002 /nfs/dbraw/zinc/13/90/02/602139002.db2.gz TZLXWLNSCRRERF-MEBBXXQBSA-N -2 3 358.398 2.366 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CC=CCC2)c(Br)o1 ZINC000088747498 602156485 /nfs/dbraw/zinc/15/64/85/602156485.db2.gz DIRKIKURPVRSPQ-ZETCQYMHSA-N -2 3 350.190 2.127 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)C[C@H](O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000833027687 602227047 /nfs/dbraw/zinc/22/70/47/602227047.db2.gz IVBWUQXEWJTZEX-OTYXRUKQSA-N -2 3 371.386 2.216 20 0 FEADHL O=C([O-])N1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000740521075 602593272 /nfs/dbraw/zinc/59/32/72/602593272.db2.gz PREUTHLQRVVCHV-VIFPVBQESA-N -2 3 353.227 2.414 20 0 FEADHL O=C([O-])Nc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)c([O-])c1 ZINC000740698474 602851523 /nfs/dbraw/zinc/85/15/23/602851523.db2.gz MKCAIAYQWSDLCE-UHFFFAOYSA-N -2 3 370.409 2.272 20 0 FEADHL O=C([O-])Nc1ccc(F)c(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000740703230 602925291 /nfs/dbraw/zinc/92/52/91/602925291.db2.gz CMPNUOCHHSQNMS-UHFFFAOYSA-N -2 3 365.292 2.015 20 0 FEADHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000739927520 603239128 /nfs/dbraw/zinc/23/91/28/603239128.db2.gz JICCOHOKVBDVJM-GFCCVEGCSA-N -2 3 367.452 2.231 20 0 FEADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@]3(F)CCN(C(=O)[O-])C3)c2)n1 ZINC000827557649 603978529 /nfs/dbraw/zinc/97/85/29/603978529.db2.gz UIAFEQYIBINCGJ-SFHVURJKSA-N -2 3 374.372 2.442 20 0 FEADHL O=C([O-])N(CC(=O)Nc1cc(Br)ccc1[O-])C[C@H]1CCCO1 ZINC000831474293 604099395 /nfs/dbraw/zinc/09/93/95/604099395.db2.gz NUZBWLXIKLLGMU-SNVBAGLBSA-N -2 3 373.203 2.252 20 0 FEADHL C[C@@H](CCNC(=O)NCc1ccc([O-])c(Br)c1)NC(=O)[O-] ZINC000824794903 604269354 /nfs/dbraw/zinc/26/93/54/604269354.db2.gz XBSSJSNCVREYEE-QMMMGPOBSA-N -2 3 360.208 2.000 20 0 FEADHL O=C([O-])CCCc1nnc([N-]C(=O)c2csc(NC3CC3)n2)s1 ZINC000833232159 604285359 /nfs/dbraw/zinc/28/53/59/604285359.db2.gz LZXQYTIKBIEKAT-UHFFFAOYSA-N -2 3 353.429 2.229 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccn(C3CCCC3)n2)cc1C(=O)[O-] ZINC000833026431 604418188 /nfs/dbraw/zinc/41/81/88/604418188.db2.gz BMIKRQUVMMLOBD-UHFFFAOYSA-N -2 3 353.400 2.076 20 0 FEADHL Cc1cc(C(=O)[O-])c2c(n1)nc(S[C@H](C)c1nc(C)cc(=O)[n-]1)[nH]c2=O ZINC000832899637 604716371 /nfs/dbraw/zinc/71/63/71/604716371.db2.gz QYCAKLNVKMYCEW-MRVPVSSYSA-N -2 3 373.394 2.394 20 0 FEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCCC1 ZINC000833716275 605015945 /nfs/dbraw/zinc/01/59/45/605015945.db2.gz ZKAARTTVFACNGX-UHFFFAOYSA-N -2 3 373.402 2.068 20 0 FEADHL O=C([O-])N1CCC[C@H](OCC(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000831518256 605385342 /nfs/dbraw/zinc/38/53/42/605385342.db2.gz YAGSIZXYRIOPQJ-JTQLQIEISA-N -2 3 373.203 2.252 20 0 FEADHL O=C([O-])N1CC[C@H](C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000834078500 605423825 /nfs/dbraw/zinc/42/38/25/605423825.db2.gz QMKZSXHZJYWUNH-LLVKDONJSA-N -2 3 367.452 2.088 20 0 FEADHL O=C([O-])N[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000834149772 605805885 /nfs/dbraw/zinc/80/58/85/605805885.db2.gz IBZFWHCJGSACPQ-SNVBAGLBSA-N -2 3 353.227 2.318 20 0 FEADHL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000832338294 605881734 /nfs/dbraw/zinc/88/17/34/605881734.db2.gz GUQBMKJZYZRURO-MWLCHTKSSA-N -2 3 357.204 2.207 20 0 FEADHL O=C([O-])N[C@@H](CC(F)F)C(=O)Nc1ccc(Br)cc1[O-] ZINC000834136491 606012296 /nfs/dbraw/zinc/01/22/96/606012296.db2.gz UWPGGOXFNBBJKQ-ZETCQYMHSA-N -2 3 353.119 2.385 20 0 FEADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000822202070 606337441 /nfs/dbraw/zinc/33/74/41/606337441.db2.gz JQORIKZUTXCOTR-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000822259209 606864880 /nfs/dbraw/zinc/86/48/80/606864880.db2.gz PMSNBPRLXBDEFV-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000822259209 606864883 /nfs/dbraw/zinc/86/48/83/606864883.db2.gz PMSNBPRLXBDEFV-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1Cl ZINC000822266810 607026342 /nfs/dbraw/zinc/02/63/42/607026342.db2.gz JTUDVDIWQNOSMX-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc2c(c1)CCCC2 ZINC000823588743 607026787 /nfs/dbraw/zinc/02/67/87/607026787.db2.gz AUKKOFPPNHHNSH-UHFFFAOYSA-N -2 3 362.440 2.003 20 0 FEADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824352398 607806247 /nfs/dbraw/zinc/80/62/47/607806247.db2.gz CEBIEZCOSBFDNA-UHFFFAOYSA-N -2 3 371.422 2.109 20 0 FEADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824352398 607806248 /nfs/dbraw/zinc/80/62/48/607806248.db2.gz CEBIEZCOSBFDNA-UHFFFAOYSA-N -2 3 371.422 2.109 20 0 FEADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1F ZINC000826492927 608108210 /nfs/dbraw/zinc/10/82/10/608108210.db2.gz LFIABWUSDPCFMF-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL COc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826208974 608528169 /nfs/dbraw/zinc/52/81/69/608528169.db2.gz IHNQTQRWPLQUQD-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL COc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826208974 608528171 /nfs/dbraw/zinc/52/81/71/608528171.db2.gz IHNQTQRWPLQUQD-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL O=S(=O)([N-]c1cccc(O)c1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493183 609525184 /nfs/dbraw/zinc/52/51/84/609525184.db2.gz XKLLOIIJHHKEOM-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=S(=O)([N-]c1cccc(O)c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493183 609525186 /nfs/dbraw/zinc/52/51/86/609525186.db2.gz XKLLOIIJHHKEOM-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=S(=O)([N-]c1cccnc1Cl)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493215 609525304 /nfs/dbraw/zinc/52/53/04/609525304.db2.gz ZIDXADNMMFYVCL-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](CCc2ccc(F)cc2)C(=O)[O-])s1 ZINC000560075995 674566920 /nfs/dbraw/zinc/56/69/20/674566920.db2.gz DREOWLUKXRFNAR-GFCCVEGCSA-N -2 3 372.443 2.209 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000562337645 674742817 /nfs/dbraw/zinc/74/28/17/674742817.db2.gz OCVLSXRYUFEIEO-JTQLQIEISA-N -2 3 368.636 2.244 20 0 FEADHL CNC(=S)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000016220343 670017115 /nfs/dbraw/zinc/01/71/15/670017115.db2.gz GSKMBSHLUKUSTA-UHFFFAOYSA-N -2 3 367.452 2.118 20 0 FEADHL O=C(CCC1CCCCC1)[N-][N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000066588543 670444324 /nfs/dbraw/zinc/44/43/24/670444324.db2.gz JMJSJDSSKCOWGW-UHFFFAOYSA-N -2 3 373.406 2.404 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)(C)C)cc1C(=O)[O-] ZINC000574317073 671226057 /nfs/dbraw/zinc/22/60/57/671226057.db2.gz QBBBFBZXNCOPJI-RISCZKNCSA-N -2 3 359.444 2.406 20 0 FEADHL O=S(=O)(CCOCC1CC1)[N-]c1cc(Br)ccc1[O-] ZINC000574511293 671248557 /nfs/dbraw/zinc/24/85/57/671248557.db2.gz GIYWJKXHMOOIRR-UHFFFAOYSA-N -2 3 350.234 2.323 20 0 FEADHL CCc1cccc(S(=O)(=O)[N-]c2cccc(F)c2S(=O)(=O)[N-]C)c1 ZINC000576751623 671391704 /nfs/dbraw/zinc/39/17/04/671391704.db2.gz KIUHMWVZSZGJQH-UHFFFAOYSA-N -2 3 372.443 2.097 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C1CCC1 ZINC000579069814 671709971 /nfs/dbraw/zinc/70/99/71/671709971.db2.gz RKKFTWAOWBPJHN-NSHDSACASA-N -2 3 371.308 2.256 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-])sc1Br ZINC000129245413 672059593 /nfs/dbraw/zinc/05/95/93/672059593.db2.gz RANBTQIPVLCHEQ-ZCFIWIBFSA-N -2 3 356.263 2.208 20 0 FEADHL CCC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000679098055 672466039 /nfs/dbraw/zinc/46/60/39/672466039.db2.gz QWDTVHXVLHEPSC-LLVKDONJSA-N -2 3 367.199 2.274 20 0 FEADHL C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000230647425 672799232 /nfs/dbraw/zinc/79/92/32/672799232.db2.gz XFIKMWXBGUOUIB-SFYZADRCSA-N -2 3 366.233 2.455 20 0 FEADHL CCn1cc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2F)cc1C(=O)[O-] ZINC000270000562 672944975 /nfs/dbraw/zinc/94/49/75/672944975.db2.gz MVLWCGYNHAIOST-UHFFFAOYSA-N -2 3 372.374 2.163 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)c1 ZINC000539400724 673488674 /nfs/dbraw/zinc/48/86/74/673488674.db2.gz VWDZKQSPHJANCJ-JOCHJYFZSA-N -2 3 355.437 2.080 20 0 FEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-] ZINC000547565817 673864615 /nfs/dbraw/zinc/86/46/15/673864615.db2.gz RRGYUHMFVFVQMF-UHFFFAOYSA-N -2 3 371.436 2.077 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-]CC[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000548028958 673916405 /nfs/dbraw/zinc/91/64/05/673916405.db2.gz DPIJHLNWBNWYCN-CYBMUJFWSA-N -2 3 354.453 2.063 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2(C)CCCCC2)oc1C ZINC000548357789 673953240 /nfs/dbraw/zinc/95/32/40/673953240.db2.gz HBTHXTWZXPKOBJ-CYBMUJFWSA-N -2 3 373.427 2.077 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC000548564712 673973257 /nfs/dbraw/zinc/97/32/57/673973257.db2.gz JODJPAXPZZASET-AWEZNQCLSA-N -2 3 354.453 2.427 20 0 FEADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000548827393 673998949 /nfs/dbraw/zinc/99/89/49/673998949.db2.gz PFJJACAAFLQGNX-LBPRGKRZSA-N -2 3 355.803 2.191 20 0 FEADHL COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000566618145 675229451 /nfs/dbraw/zinc/22/94/51/675229451.db2.gz TYTZMXFIVWUWEU-JTQLQIEISA-N -2 3 370.452 2.150 20 0 FEADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1 ZINC000566714939 675236883 /nfs/dbraw/zinc/23/68/83/675236883.db2.gz NORQICXDCVMWQX-UHFFFAOYSA-N -2 3 367.354 2.040 20 0 FEADHL CC(C)c1ccc(OCC[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000567805683 675325071 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COC(=O)c1cc(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])c(C)o1 ZINC000275221082 330023301 /nfs/dbraw/zinc/02/33/01/330023301.db2.gz IOJQDQJSUOYGDE-UHFFFAOYSA-N -2 3 361.416 2.078 20 0 FEADHL COC(=O)c1sccc1S(=O)(=O)[N-]CCCCCCCC(=O)[O-] ZINC000275348416 330038108 /nfs/dbraw/zinc/03/81/08/330038108.db2.gz VZFBUTYHLSTZIJ-UHFFFAOYSA-N -2 3 363.457 2.238 20 0 FEADHL C[C@H](CN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1nnn[n-]1 ZINC000156534645 545634205 /nfs/dbraw/zinc/63/42/05/545634205.db2.gz ZAMKBXUMTDQHLB-CYBMUJFWSA-N -2 3 351.410 2.372 20 0 FEADHL C[C@H](CN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1nn[n-]n1 ZINC000156534645 545634206 /nfs/dbraw/zinc/63/42/06/545634206.db2.gz ZAMKBXUMTDQHLB-CYBMUJFWSA-N -2 3 351.410 2.372 20 0 FEADHL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2ccc([O-])c(C(=O)OC)c2)cn1 ZINC000478700225 561172987 /nfs/dbraw/zinc/17/29/87/561172987.db2.gz GAPDBVNMFGWBNI-SNVBAGLBSA-N -2 3 365.411 2.283 20 0 FEADHL COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000484550768 561299776 /nfs/dbraw/zinc/29/97/76/561299776.db2.gz YGLOZNTXTTZIDI-UHFFFAOYSA-N -2 3 355.343 2.342 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1C ZINC000484573232 561300449 /nfs/dbraw/zinc/30/04/49/561300449.db2.gz NTVNYCIZEUCCHZ-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1cccs1 ZINC000184872880 547891831 /nfs/dbraw/zinc/89/18/31/547891831.db2.gz HAKGXZRFOHLNLZ-LBPRGKRZSA-N -2 3 372.443 2.167 20 0 FEADHL Cc1ccccc1-n1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)nn1 ZINC000486123949 561338730 /nfs/dbraw/zinc/33/87/30/561338730.db2.gz NDJKOMSJFZQVEY-BQYQJAHWSA-N -2 3 351.366 2.177 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000486194739 561340635 /nfs/dbraw/zinc/34/06/35/561340635.db2.gz SDKXTYIIFUVASW-LJQANCHMSA-N -2 3 367.361 2.000 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCSC2)cc(F)c1Cl ZINC000228550519 548754706 /nfs/dbraw/zinc/75/47/06/548754706.db2.gz LGUJAISRIHDFSA-SSDOTTSWSA-N -2 3 353.824 2.209 20 0 FEADHL CS(=O)(=O)[N-]c1cc(C(=O)NCCCCCCCC(=O)[O-])ccc1F ZINC000262088323 549787937 /nfs/dbraw/zinc/78/79/37/549787937.db2.gz CFHXFLCMKZHIBN-UHFFFAOYSA-N -2 3 374.434 2.352 20 0 FEADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c1 ZINC000274950742 550566997 /nfs/dbraw/zinc/56/69/97/550566997.db2.gz SRGCWJFLOKRVKS-UHFFFAOYSA-N -2 3 359.831 2.464 20 0 FEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@H]2CCSC2)c1 ZINC000279996920 550950837 /nfs/dbraw/zinc/95/08/37/550950837.db2.gz MKBSJCUZHGHEER-ZETCQYMHSA-N -2 3 356.252 2.475 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)[C@@H]1CCOC1 ZINC000280989089 551052395 /nfs/dbraw/zinc/05/23/95/551052395.db2.gz KSCFCPJPEDLYFO-JGVFFNPUSA-N -2 3 368.238 2.395 20 0 FEADHL CCOC(=O)c1scnc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000282286477 551206596 /nfs/dbraw/zinc/20/65/96/551206596.db2.gz WABYAYPCMYPPSG-AATRIKPKSA-N -2 3 363.395 2.311 20 0 FEADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)C(=O)[O-] ZINC000284140645 551491086 /nfs/dbraw/zinc/49/10/86/551491086.db2.gz YSFXMGMTKOEOFB-RNCFNFMXSA-N -2 3 365.398 2.041 20 0 FEADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000287135142 551968059 /nfs/dbraw/zinc/96/80/59/551968059.db2.gz CBHKWOGJLYUUNB-VIFPVBQESA-N -2 3 354.350 2.268 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCSC2)c(F)cc1F ZINC000287365028 551994738 /nfs/dbraw/zinc/99/47/38/551994738.db2.gz YPHOJSQRFMLQBC-QMMMGPOBSA-N -2 3 351.396 2.085 20 0 FEADHL CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000290616768 552507237 /nfs/dbraw/zinc/50/72/37/552507237.db2.gz JYPJBKNAPFGOIF-RQJHMYQMSA-N -2 3 356.227 2.393 20 0 FEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)n1 ZINC000296787210 553211494 /nfs/dbraw/zinc/21/14/94/553211494.db2.gz AOXYELZCGBUEGA-MRVPVSSYSA-N -2 3 354.400 2.086 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000296855874 553221084 /nfs/dbraw/zinc/22/10/84/553221084.db2.gz CWFBEMJRUGGOCK-UHFFFAOYSA-N -2 3 368.636 2.246 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1c(F)cccc1F ZINC000297027947 553244131 /nfs/dbraw/zinc/24/41/31/553244131.db2.gz SYANSSHBFFHRMW-UFBFGSQYSA-N -2 3 369.336 2.445 20 0 FEADHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCCCC1 ZINC000327287478 553787677 /nfs/dbraw/zinc/78/76/77/553787677.db2.gz VXEGSJVDXSQBDT-UHFFFAOYSA-N -2 3 372.399 2.059 20 0 FEADHL COC(=O)[C@@H](CS(=O)(=O)[N-]c1cc([O-])cc(F)c1)c1ccccc1 ZINC000507937025 561746662 /nfs/dbraw/zinc/74/66/62/561746662.db2.gz NWZKRMHJXFTSTD-HNNXBMFYSA-N -2 3 353.371 2.230 20 0 FEADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1 ZINC000508225129 561755923 /nfs/dbraw/zinc/75/59/23/561755923.db2.gz IMDCXYDIBYRSQQ-UHFFFAOYSA-N -2 3 353.371 2.136 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)cc1 ZINC000509645701 561808744 /nfs/dbraw/zinc/80/87/44/561808744.db2.gz CDEFGZJELDDFAY-UHFFFAOYSA-N -2 3 369.370 2.489 20 0 FEADHL Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)n1 ZINC000514601105 561969247 /nfs/dbraw/zinc/96/92/47/561969247.db2.gz ZNLFSDJUFPYDQW-VIFPVBQESA-N -2 3 358.416 2.257 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000514789618 561979806 /nfs/dbraw/zinc/97/98/06/561979806.db2.gz MIXFVHVRWKVCQH-GWCFXTLKSA-N -2 3 354.453 2.062 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3F)CC2)c1 ZINC000517027666 562072165 /nfs/dbraw/zinc/07/21/65/562072165.db2.gz OGDLZRMVNQQSKN-UHFFFAOYSA-N -2 3 357.334 2.266 20 0 FEADHL CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000517134853 562076962 /nfs/dbraw/zinc/07/69/62/562076962.db2.gz SINBYFMNPYSTJM-UHFFFAOYSA-N -2 3 361.416 2.157 20 0 FEADHL CC(F)(F)C[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1 ZINC000518337626 562108906 /nfs/dbraw/zinc/10/89/06/562108906.db2.gz ZZBIRXVDEZFGLK-UHFFFAOYSA-N -2 3 355.334 2.003 20 0 FEADHL C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(-c2cc3ccccc3o2)[n-]n1 ZINC000375070242 557973300 /nfs/dbraw/zinc/97/33/00/557973300.db2.gz GEHRFNYHGVTCRN-JTQLQIEISA-N -2 3 362.411 2.041 20 0 FEADHL COC(=O)c1ccc(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000392232588 558616352 /nfs/dbraw/zinc/61/63/52/558616352.db2.gz HXUFLIQXZTYMQZ-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(C(=O)[O-])c3)cc21 ZINC000392293642 558616875 /nfs/dbraw/zinc/61/68/75/558616875.db2.gz OLPSZAVBGSVJCL-QMMMGPOBSA-N -2 3 364.354 2.380 20 0 FEADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)CC(C)(C)C1 ZINC000408492988 558683495 /nfs/dbraw/zinc/68/34/95/558683495.db2.gz AVDRGBRXJXNUGO-MNOVXSKESA-N -2 3 350.444 2.225 20 0 FEADHL CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cccc(-c4nnn[n-]4)c3)c2O1 ZINC000410341533 558752165 /nfs/dbraw/zinc/75/21/65/558752165.db2.gz WTFAREDRWSYRNS-UHFFFAOYSA-N -2 3 371.422 2.381 20 0 FEADHL CC1(C)Cc2cccc(S(=O)(=O)[N-]c3cccc(-c4nn[n-]n4)c3)c2O1 ZINC000410341533 558752168 /nfs/dbraw/zinc/75/21/68/558752168.db2.gz WTFAREDRWSYRNS-UHFFFAOYSA-N -2 3 371.422 2.381 20 0 FEADHL O=c1cc(CSc2n[n-]c(=NC[C@@H]3CCCO3)s2)nc(C2CC2)[n-]1 ZINC000412993061 559069253 /nfs/dbraw/zinc/06/92/53/559069253.db2.gz WTPQOAWINXFYOX-NSHDSACASA-N -2 3 365.484 2.794 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1)C(F)F ZINC000414322584 559156057 /nfs/dbraw/zinc/15/60/57/559156057.db2.gz HEOSWPFFFCECJC-SECBINFHSA-N -2 3 372.187 2.469 20 0 FEADHL CCC(CC)(CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)[O-] ZINC000424255879 559659669 /nfs/dbraw/zinc/65/96/69/559659669.db2.gz VBFBHCUYEKMYFP-AWEZNQCLSA-N -2 3 362.426 2.004 20 0 FEADHL Cc1cc(F)cc2c(=O)c(C(=O)N3CCC[C@@H](c4n[n-]c(=O)o4)C3)c[n-]c12 ZINC000425295653 559695192 /nfs/dbraw/zinc/69/51/92/559695192.db2.gz FURRVTCKGNMRNW-SNVBAGLBSA-N -2 3 372.356 2.084 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(NC(N)=O)c1 ZINC000431150078 559835087 /nfs/dbraw/zinc/83/50/87/559835087.db2.gz MUROCFLQBFCDRI-UHFFFAOYSA-N -2 3 367.358 2.124 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc([C@@H]2CNC(=O)C2)c1 ZINC000435142999 559917086 /nfs/dbraw/zinc/91/70/86/559917086.db2.gz KYHJLVFGIZIEFC-AWEZNQCLSA-N -2 3 374.418 2.098 20 0 FEADHL NC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000436477615 559942339 /nfs/dbraw/zinc/94/23/39/559942339.db2.gz JBPOZVKJGRWVBA-UHFFFAOYSA-N -2 3 360.313 2.311 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000436480155 559942587 /nfs/dbraw/zinc/94/25/87/559942587.db2.gz WRFFCAKSEZMCKN-UHFFFAOYSA-N -2 3 355.343 2.127 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1OC ZINC000436673495 559948387 /nfs/dbraw/zinc/94/83/87/559948387.db2.gz RAEXPQRULYJDEF-UHFFFAOYSA-N -2 3 366.395 2.120 20 0 FEADHL Cc1cccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c1[O-] ZINC000436703789 559949328 /nfs/dbraw/zinc/94/93/28/559949328.db2.gz MXWCKFLYDLNTNQ-UHFFFAOYSA-N -2 3 362.407 2.099 20 0 FEADHL Cc1ccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])c([O-])c1 ZINC000436701933 559949337 /nfs/dbraw/zinc/94/93/37/559949337.db2.gz GFMOHRUCCGIMME-UHFFFAOYSA-N -2 3 362.407 2.099 20 0 FEADHL COc1cccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1[O-] ZINC000436811711 559952792 /nfs/dbraw/zinc/95/27/92/559952792.db2.gz JUUOSHYYCLOXLN-UHFFFAOYSA-N -2 3 354.359 2.164 20 0 FEADHL C[N-]S(=O)(=O)c1cc(NC(=O)c2cc(Cl)ccc2[O-])ccc1F ZINC000436825983 559953234 /nfs/dbraw/zinc/95/32/34/559953234.db2.gz GCFAJXOOLNHMRK-UHFFFAOYSA-N -2 3 358.778 2.345 20 0 FEADHL CC(=O)c1ccc([O-])c(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000436876745 559955177 /nfs/dbraw/zinc/95/51/77/559955177.db2.gz KCVIWZMGWHNBLT-UHFFFAOYSA-N -2 3 366.370 2.358 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1Cl ZINC000438772581 559983527 /nfs/dbraw/zinc/98/35/27/559983527.db2.gz ADFXBLFCRPVEDS-UHFFFAOYSA-N -2 3 371.798 2.210 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cnccc1C(F)(F)F ZINC000443155907 560072958 /nfs/dbraw/zinc/07/29/58/560072958.db2.gz UCISBDVLXQFUIM-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cnccc1C(F)(F)F ZINC000443155907 560072959 /nfs/dbraw/zinc/07/29/59/560072959.db2.gz UCISBDVLXQFUIM-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL Cc1ccc(F)c(-c2cc(=NC(=O)c3cnc4n(C)[n-]cc-4c3=O)[nH][n-]2)c1 ZINC000444810309 560121559 /nfs/dbraw/zinc/12/15/59/560121559.db2.gz CFSDQKAUTHEQHG-UHFFFAOYSA-N -2 3 366.356 2.764 20 0 FEADHL Cc1ccc(F)c(-c2cc(=NC(=O)c3cnc4c(cnn4C)c3[O-])[nH][n-]2)c1 ZINC000444810309 560121560 /nfs/dbraw/zinc/12/15/60/560121560.db2.gz CFSDQKAUTHEQHG-UHFFFAOYSA-N -2 3 366.356 2.764 20 0 FEADHL Cc1ccc(F)c(-c2cc(=NC(=O)c3c[n-]c4c(cnn4C)c3=O)[nH][n-]2)c1 ZINC000444810309 560121561 /nfs/dbraw/zinc/12/15/61/560121561.db2.gz CFSDQKAUTHEQHG-UHFFFAOYSA-N -2 3 366.356 2.764 20 0 FEADHL CCC1([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCCC1 ZINC000451747668 560326268 /nfs/dbraw/zinc/32/62/68/560326268.db2.gz ZTEUBRRFAGWWCU-UHFFFAOYSA-N -2 3 364.464 2.198 20 0 FEADHL Cc1c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])cc2nn1C ZINC000461339600 560767114 /nfs/dbraw/zinc/76/71/14/560767114.db2.gz KLXDINYSFKAXSX-UHFFFAOYSA-N -3 3 361.379 2.086 20 0 FEADHL CC1(C)Cc2cccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)[N-]C4=O)c2O1 ZINC000530487354 562413339 /nfs/dbraw/zinc/41/33/39/562413339.db2.gz KGCBKPMOUXETQF-UHFFFAOYSA-N -2 3 372.402 2.085 20 0 FEADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1ccc(F)cc1[O-] ZINC000532621981 562483620 /nfs/dbraw/zinc/48/36/20/562483620.db2.gz RRJAPSSGPAXUHD-UHFFFAOYSA-N -2 3 364.807 2.163 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000534884849 562544536 /nfs/dbraw/zinc/54/45/36/562544536.db2.gz DPFHYQAROSEZKP-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL Cc1ncc(CNC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c(=O)[n-]1 ZINC000542191439 562626925 /nfs/dbraw/zinc/62/69/25/562626925.db2.gz APEFTMKDOWQBTP-UHFFFAOYSA-N -2 3 366.381 2.283 20 0 FEADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)o1 ZINC000545544749 562628662 /nfs/dbraw/zinc/62/86/62/562628662.db2.gz RADNJTBZBIQVHI-CQSZACIVSA-N -2 3 353.396 2.206 20 0 FEADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000806633624 674384492 /nfs/dbraw/zinc/38/44/92/674384492.db2.gz YSSBRJLYIUPVKU-UHFFFAOYSA-N -2 3 365.407 2.479 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000737362466 598841582 /nfs/dbraw/zinc/84/15/82/598841582.db2.gz PPKSPPSCNAOXIE-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000737362466 598841583 /nfs/dbraw/zinc/84/15/83/598841583.db2.gz PPKSPPSCNAOXIE-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL C[C@](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1F)(C(=O)[O-])c1ccccc1 ZINC000820225074 607325069 /nfs/dbraw/zinc/32/50/69/607325069.db2.gz ABZKFMPFFKLWSR-GOSISDBHSA-N -2 3 369.356 2.377 20 0 FEADHL C[C@](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1F)(C(=O)[O-])c1ccccc1 ZINC000820225074 607325070 /nfs/dbraw/zinc/32/50/70/607325070.db2.gz ABZKFMPFFKLWSR-GOSISDBHSA-N -2 3 369.356 2.377 20 0 FEADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000736635029 598451878 /nfs/dbraw/zinc/45/18/78/598451878.db2.gz RAAZXIKCFBGXAL-UHFFFAOYSA-N -2 3 359.411 2.375 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000738342221 598594616 /nfs/dbraw/zinc/59/46/16/598594616.db2.gz OSKGJKDAGWRQFS-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000738342221 598594618 /nfs/dbraw/zinc/59/46/18/598594618.db2.gz OSKGJKDAGWRQFS-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL CC(C)Oc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC000820161016 607365930 /nfs/dbraw/zinc/36/59/30/607365930.db2.gz SDZBXCXAZXFBNV-CHWSQXEVSA-N -2 3 371.397 2.259 20 0 FEADHL CC(C)Oc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC000820161016 607365932 /nfs/dbraw/zinc/36/59/32/607365932.db2.gz SDZBXCXAZXFBNV-CHWSQXEVSA-N -2 3 371.397 2.259 20 0 FEADHL O=C([O-])c1cccc(Cc2cnc([N-]C(=O)c3cccc[n+]3[O-])s2)c1 ZINC000740229095 599701998 /nfs/dbraw/zinc/70/19/98/599701998.db2.gz WFABKQLEWSWELH-UHFFFAOYSA-N -2 3 355.375 2.318 20 0 FEADHL CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccc(C(=O)[O-])cc2)ccc1F ZINC000738163345 599748746 /nfs/dbraw/zinc/74/87/46/599748746.db2.gz BEBBZZSUSBCTHM-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL Cc1ccc(OCCCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000567730756 599772304 /nfs/dbraw/zinc/77/23/04/599772304.db2.gz RXKVAHUNFKZQAC-UHFFFAOYSA-N -2 3 353.396 2.424 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)Cc1cccc(F)c1 ZINC000739504520 599980265 /nfs/dbraw/zinc/98/02/65/599980265.db2.gz ZJICBGRQRUYQEY-NSHDSACASA-N -2 3 373.352 2.326 20 0 FEADHL Cc1cccc(C[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)C(=O)[O-])c1 ZINC000548222417 600096534 /nfs/dbraw/zinc/09/65/34/600096534.db2.gz MNZINXQYMBIJGU-ZDUSSCGKSA-N -2 3 369.389 2.495 20 0 FEADHL CN1CCCc2cc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)ccc21 ZINC000737518549 600243737 /nfs/dbraw/zinc/24/37/37/600243737.db2.gz QRNQUYSJRGVFIM-UHFFFAOYSA-N -2 3 360.435 2.497 20 0 FEADHL O=C([O-])CCOc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000739739930 600361324 /nfs/dbraw/zinc/36/13/24/600361324.db2.gz QMAOHNCNJWPXIN-UHFFFAOYSA-N -2 3 353.334 2.441 20 0 FEADHL O=C([O-])CCCc1nc(CO[N-]C(=O)Cc2cccc3ccccc32)no1 ZINC000739701399 600428342 /nfs/dbraw/zinc/42/83/42/600428342.db2.gz DFCKZEXYWAQMGI-UHFFFAOYSA-N -2 3 369.377 2.421 20 0 FEADHL CCOc1cc(C(=O)NCc2ccc([O-])c(F)c2)ccc1OCC(=O)[O-] ZINC000737185273 600465500 /nfs/dbraw/zinc/46/55/00/600465500.db2.gz IGOGWKMEMBSGLR-UHFFFAOYSA-N -2 3 363.341 2.323 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OCC2CC2)o1 ZINC000565477708 600588249 /nfs/dbraw/zinc/58/82/49/600588249.db2.gz KXUNSMOKFJFALR-UHFFFAOYSA-N -2 3 351.380 2.245 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)cc1C(=O)[O-] ZINC000042791919 600809989 /nfs/dbraw/zinc/80/99/89/600809989.db2.gz ONABLWRFPTZYIY-UHFFFAOYSA-N -2 3 358.379 2.075 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2C)cc1C(=O)[O-] ZINC000579469535 601223123 /nfs/dbraw/zinc/22/31/23/601223123.db2.gz JSHPHQDUJGSLRP-NSHDSACASA-N -2 3 353.396 2.340 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1ccco1 ZINC000831660864 601262803 /nfs/dbraw/zinc/26/28/03/601262803.db2.gz RMUJEEJKZYBTAK-PIZKADEWSA-N -2 3 351.380 2.043 20 0 FEADHL CCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000825653868 607533898 /nfs/dbraw/zinc/53/38/98/607533898.db2.gz LJFHXRQRPRVRIE-UHFFFAOYSA-N -2 3 359.411 2.375 20 0 FEADHL CCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000825653868 607533899 /nfs/dbraw/zinc/53/38/99/607533899.db2.gz LJFHXRQRPRVRIE-UHFFFAOYSA-N -2 3 359.411 2.375 20 0 FEADHL Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)CO2 ZINC000832961671 602001085 /nfs/dbraw/zinc/00/10/85/602001085.db2.gz JBKQKXJGAHFKIC-NSHDSACASA-N -2 3 369.345 2.383 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)C[C@@H](O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000833027679 602226786 /nfs/dbraw/zinc/22/67/86/602226786.db2.gz IVBWUQXEWJTZEX-LKFCYVNXSA-N -2 3 371.386 2.216 20 0 FEADHL O=C([O-])NCCOc1cccc(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000740666548 602283306 /nfs/dbraw/zinc/28/33/06/602283306.db2.gz AKQGGWWGSXHFGE-UHFFFAOYSA-N -2 3 360.322 2.020 20 0 FEADHL O=C([O-])N1CC[C@@H](CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000740496454 602456337 /nfs/dbraw/zinc/45/63/37/602456337.db2.gz DPBLGVPNRLAWGP-SECBINFHSA-N -2 3 350.799 2.147 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CCCCN3C(=O)[O-])cc2)n1 ZINC000740055038 602505720 /nfs/dbraw/zinc/50/57/20/602505720.db2.gz OLTVTKUQABTSKN-AWEZNQCLSA-N -2 3 356.382 2.216 20 0 FEADHL CC(C)[C@@](C)(CNC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000738774813 603084980 /nfs/dbraw/zinc/08/49/80/603084980.db2.gz YETLIYDOYKWGBS-CYBMUJFWSA-N -2 3 352.815 2.440 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CCCc2ccccc2)C(=O)[O-])s1 ZINC000558863161 674518565 /nfs/dbraw/zinc/51/85/65/674518565.db2.gz YGMVEUKYPOCJDT-ZDUSSCGKSA-N -2 3 354.453 2.206 20 0 FEADHL O=C([O-])N1CCc2c(cccc2[N-]S(=O)(=O)C[C@H]2CCCCO2)C1 ZINC000740530523 603261449 /nfs/dbraw/zinc/26/14/49/603261449.db2.gz ZYPWADLRKLWYDK-CYBMUJFWSA-N -2 3 354.428 2.034 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N(C)CCCNC(=O)[O-])cc2)cc(=O)[n-]1 ZINC000740206872 603279719 /nfs/dbraw/zinc/27/97/19/603279719.db2.gz GXHUBCVGTAIKSX-UHFFFAOYSA-N -2 3 359.386 2.279 20 0 FEADHL O=C([O-])N[C@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)Cc1ccccc1 ZINC000832114116 603484623 /nfs/dbraw/zinc/48/46/23/603484623.db2.gz SLUJWBGNZNEWEJ-ZDUSSCGKSA-N -2 3 366.381 2.074 20 0 FEADHL O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000832361982 603834927 /nfs/dbraw/zinc/83/49/27/603834927.db2.gz ZUWCBVLGLAFXOO-UONOGXRCSA-N -2 3 358.402 2.412 20 0 FEADHL O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)C1 ZINC000832296175 603916438 /nfs/dbraw/zinc/91/64/38/603916438.db2.gz JMALOGHDZUANQC-YUMQZZPRSA-N -2 3 351.313 2.125 20 0 FEADHL C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000825272695 604027835 /nfs/dbraw/zinc/02/78/35/604027835.db2.gz NAFHZGVJKVUCQD-VXGBXAGGSA-N -2 3 362.459 2.328 20 0 FEADHL CSCC[C@@H](NC(=O)[O-])C(=O)Nc1cc(Br)ccc1[O-] ZINC000829731428 604099276 /nfs/dbraw/zinc/09/92/76/604099276.db2.gz QXGDYZHVXZXOSQ-MRVPVSSYSA-N -2 3 363.233 2.483 20 0 FEADHL C[C@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824711457 604316003 /nfs/dbraw/zinc/31/60/03/604316003.db2.gz WZEHBJILKHEXSF-NEPJUHHUSA-N -2 3 358.402 2.221 20 0 FEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccnc2Br)cc1 ZINC000236429858 604403125 /nfs/dbraw/zinc/40/31/25/604403125.db2.gz UWBXCKAFIXMLAJ-UHFFFAOYSA-N -2 3 371.212 2.272 20 0 FEADHL O=C([O-])C[C@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000833209472 604690062 /nfs/dbraw/zinc/69/00/62/604690062.db2.gz HAOYDBPCTQECKV-SNVBAGLBSA-N -2 3 357.204 2.303 20 0 FEADHL C[C@@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)C1CCN(C(=O)[O-])CC1 ZINC000824710503 604741327 /nfs/dbraw/zinc/74/13/27/604741327.db2.gz JCSIZODIBINAID-NSHDSACASA-N -2 3 358.402 2.221 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1nc(C(C)(C)C)no1 ZINC000583259745 605041164 /nfs/dbraw/zinc/04/11/64/605041164.db2.gz CGYKAIAICBAXHI-VIFPVBQESA-N -2 3 353.400 2.105 20 0 FEADHL CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCO1 ZINC000564653291 605300423 /nfs/dbraw/zinc/30/04/23/605300423.db2.gz BQIODYWOOLWRSD-WDEREUQCSA-N -2 3 362.473 2.103 20 0 FEADHL O=C(CN1CCC([C@H]2CCCN2C(=O)[O-])CC1)[N-]OCc1ccccc1 ZINC000834007397 605807280 /nfs/dbraw/zinc/80/72/80/605807280.db2.gz LSIZUMKWKDPCQM-QGZVFWFLSA-N -2 3 361.442 2.089 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)CNC(=O)[O-])s1 ZINC000833897115 605814499 /nfs/dbraw/zinc/81/44/99/605814499.db2.gz FEHKPELWXROHIZ-LURJTMIESA-N -2 3 371.278 2.001 20 0 FEADHL O=C([O-])Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC000834263132 605838917 /nfs/dbraw/zinc/83/89/17/605838917.db2.gz RJDWUTXHPMNEBF-CYBMUJFWSA-N -2 3 370.365 2.120 20 0 FEADHL CC(C)C[C@H](NC(=O)[O-])C(=O)NCc1ccc([O-])c(Br)c1 ZINC000824210449 605879783 /nfs/dbraw/zinc/87/97/83/605879783.db2.gz GRBXNCKSOMMZFS-NSHDSACASA-N -2 3 359.220 2.453 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccc(F)c(Cl)c1 ZINC000823583576 606338153 /nfs/dbraw/zinc/33/81/53/606338153.db2.gz UYUHNMSRKGHZRT-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000822432112 606709670 /nfs/dbraw/zinc/70/96/70/606709670.db2.gz XMRGVGQGFKQCQS-UHFFFAOYSA-N -2 3 350.429 2.049 20 0 FEADHL C[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000822004326 606890193 /nfs/dbraw/zinc/89/01/93/606890193.db2.gz FPZKEEOKTIEDOL-CZMCAQCFSA-N -2 3 357.386 2.002 20 0 FEADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000822202240 606981194 /nfs/dbraw/zinc/98/11/94/606981194.db2.gz RNOOBJHWODAHAB-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000822202240 606981196 /nfs/dbraw/zinc/98/11/96/606981196.db2.gz RNOOBJHWODAHAB-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000823036764 607221303 /nfs/dbraw/zinc/22/13/03/607221303.db2.gz KVZOWIIGXDGYSW-UHFFFAOYSA-N -2 3 368.378 2.314 20 0 FEADHL O=S(=O)([N-]CC12CCC(CC1)C2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490574 607938511 /nfs/dbraw/zinc/93/85/11/607938511.db2.gz ZSARAIUFRUQVKA-UHFFFAOYSA-N -2 3 369.397 2.004 20 0 FEADHL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000825095953 608075640 /nfs/dbraw/zinc/07/56/40/608075640.db2.gz KYHZCVZFBIXWCZ-NSHDSACASA-N -2 3 365.459 2.052 20 0 FEADHL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825095953 608075641 /nfs/dbraw/zinc/07/56/41/608075641.db2.gz KYHZCVZFBIXWCZ-NSHDSACASA-N -2 3 365.459 2.052 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cnc1Cl ZINC000826272430 608106864 /nfs/dbraw/zinc/10/68/64/608106864.db2.gz JAFDFFXBDXEJFB-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2OC(C)C)o1 ZINC000826292760 608293188 /nfs/dbraw/zinc/29/31/88/608293188.db2.gz KNMQOQYGKKYJDH-UHFFFAOYSA-N -2 3 363.399 2.356 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(C)C)o1 ZINC000826292760 608293190 /nfs/dbraw/zinc/29/31/90/608293190.db2.gz KNMQOQYGKKYJDH-UHFFFAOYSA-N -2 3 363.399 2.356 20 0 FEADHL CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1CC ZINC000825718046 608396373 /nfs/dbraw/zinc/39/63/73/608396373.db2.gz UNJOSSLSMZDVBN-UHFFFAOYSA-N -2 3 358.427 2.187 20 0 FEADHL CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1CC ZINC000825718046 608396374 /nfs/dbraw/zinc/39/63/74/608396374.db2.gz UNJOSSLSMZDVBN-UHFFFAOYSA-N -2 3 358.427 2.187 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2ccc(C)c(C)c2)C(=O)[O-])s1 ZINC000560493020 674594447 /nfs/dbraw/zinc/59/44/47/674594447.db2.gz PXXCLKCMTJWSAA-ZDUSSCGKSA-N -2 3 354.453 2.043 20 0 FEADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000562310820 674739880 /nfs/dbraw/zinc/73/98/80/674739880.db2.gz GIDQQNMIYTTYPE-UHFFFAOYSA-N -2 3 374.340 2.320 20 0 FEADHL CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000563705983 674930105 /nfs/dbraw/zinc/93/01/05/674930105.db2.gz CFWNCIIIDBDMFU-IUCAKERBSA-N -2 3 350.487 2.184 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)ccc1Br ZINC000029048825 670095074 /nfs/dbraw/zinc/09/50/74/670095074.db2.gz BBTCAUBMVPPCCE-UHFFFAOYSA-N -2 3 361.261 2.257 20 0 FEADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000569876026 670626503 /nfs/dbraw/zinc/62/65/03/670626503.db2.gz VQIPJTAPNYXCPC-WCQYABFASA-N -2 3 366.361 2.412 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000570447846 670715740 /nfs/dbraw/zinc/71/57/40/670715740.db2.gz CBEUHZBIDPBLGF-VXGBXAGGSA-N -2 3 368.436 2.040 20 0 FEADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cccnc1C(=O)[O-])C(F)(F)F ZINC000570679473 670752006 /nfs/dbraw/zinc/75/20/06/670752006.db2.gz YHWVKKYPYZCYBG-VIFPVBQESA-N -2 3 354.350 2.425 20 0 FEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000573498235 671130152 /nfs/dbraw/zinc/13/01/52/671130152.db2.gz CPIQNXPUYKMOQF-UHFFFAOYSA-N -2 3 372.443 2.151 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]C[C@H](Cc2cccc(F)c2)C(=O)[O-])s1 ZINC000574396814 671235194 /nfs/dbraw/zinc/23/51/94/671235194.db2.gz ISTNPUUXQIRTMY-NSHDSACASA-N -2 3 372.443 2.066 20 0 FEADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000574951638 671288275 /nfs/dbraw/zinc/28/82/75/671288275.db2.gz WTXPMLFWCQPJAM-ZYHUDNBSSA-N -2 3 352.334 2.022 20 0 FEADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000574951635 671288300 /nfs/dbraw/zinc/28/83/00/671288300.db2.gz WTXPMLFWCQPJAM-CMPLNLGQSA-N -2 3 352.334 2.022 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCCCC1 ZINC000578051230 671637098 /nfs/dbraw/zinc/63/70/98/671637098.db2.gz BWCYVHYYBPUIOT-UHFFFAOYSA-N -2 3 352.334 2.166 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000581129305 671866203 /nfs/dbraw/zinc/86/62/03/671866203.db2.gz PRCAXVUVGHRLAD-KGLIPLIRSA-N -2 3 351.380 2.176 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)cc1CC(=O)[O-] ZINC000680809947 672602671 /nfs/dbraw/zinc/60/26/71/672602671.db2.gz WQBAJOIJCCGHOX-UHFFFAOYSA-N -2 3 365.407 2.446 20 0 FEADHL COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1 ZINC000326534771 673053843 /nfs/dbraw/zinc/05/38/43/673053843.db2.gz RWBFIGBWPQHVEZ-UHFFFAOYSA-N -2 3 351.380 2.346 20 0 FEADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000466337009 673309685 /nfs/dbraw/zinc/30/96/85/673309685.db2.gz JFVPWXHSVAWWMN-LRDDRELGSA-N -2 3 360.211 2.209 20 0 FEADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000547548649 673861574 /nfs/dbraw/zinc/86/15/74/673861574.db2.gz NZZRBARWTSIINB-NOZJJQNGSA-N -2 3 373.814 2.163 20 0 FEADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)sc1C(=O)[O-] ZINC000547553230 673862449 /nfs/dbraw/zinc/86/24/49/673862449.db2.gz RFMNLGCHFJBWNW-UHFFFAOYSA-N -2 3 371.827 2.153 20 0 FEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)n1 ZINC000547879498 673896468 /nfs/dbraw/zinc/89/64/68/673896468.db2.gz PDRNOWKFMGPSCK-UHFFFAOYSA-N -2 3 350.780 2.112 20 0 FEADHL Cc1nc(C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)sc1C(=O)[O-] ZINC000547882722 673896759 /nfs/dbraw/zinc/89/67/59/673896759.db2.gz XWJSMWDHQWZPNP-UHFFFAOYSA-N -2 3 364.807 2.421 20 0 FEADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000547914479 673903865 /nfs/dbraw/zinc/90/38/65/673903865.db2.gz GGATXJBAGNKGPG-RYUDHWBXSA-N -2 3 350.421 2.118 20 0 FEADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000548266156 673945257 /nfs/dbraw/zinc/94/52/57/673945257.db2.gz RIPVXVZPWFZUBF-GFCCVEGCSA-N -2 3 373.814 2.495 20 0 FEADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000548768237 673993896 /nfs/dbraw/zinc/99/38/96/673993896.db2.gz JEMUTAHIZOGUNG-SECBINFHSA-N -2 3 352.334 2.022 20 0 FEADHL CS(C)(=O)=NS(=O)(=O)[N-]c1cc(Cc2ccccc2)ccc1[O-] ZINC000821186262 675420459 /nfs/dbraw/zinc/42/04/59/675420459.db2.gz VEMRQIUKZKDBIX-UHFFFAOYSA-N -2 3 354.453 2.367 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(Br)cc2)c[n-]1 ZINC000618906637 676356280 /nfs/dbraw/zinc/35/62/80/676356280.db2.gz RJOFHYSDDVIMLO-UHFFFAOYSA-N -2 3 374.216 2.150 20 0 FEADHL COCC1(S(=O)(=O)[N-]c2cccc(Br)c2C(=O)[O-])CC1 ZINC000629314183 676845318 /nfs/dbraw/zinc/84/53/18/676845318.db2.gz QGCJZINJCIUSGG-UHFFFAOYSA-N -2 3 364.217 2.068 20 0 FEADHL COCC1(S(=O)(=O)[N-]c2c([O-])ccc(Br)c2C)CC1 ZINC000641687952 677213945 /nfs/dbraw/zinc/21/39/45/677213945.db2.gz GLONVAMSMCEHCU-UHFFFAOYSA-N -2 3 350.234 2.384 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCCOc3ccc(F)cc32)c1 ZINC000645957682 677275825 /nfs/dbraw/zinc/27/58/25/677275825.db2.gz VOUCLNLYPMYGBG-LBPRGKRZSA-N -2 3 355.343 2.309 20 0 FEADHL CC[C@@H](OCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000650440803 677375131 /nfs/dbraw/zinc/37/51/31/677375131.db2.gz OERKEZCYHJWBJN-CQSZACIVSA-N -2 3 353.396 2.424 20 0 FEADHL Cc1cc(F)ccc1C[C@@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000656716798 677811972 /nfs/dbraw/zinc/81/19/72/677811972.db2.gz IZKHGMKVWQQGLB-SECBINFHSA-N -2 3 358.416 2.198 20 0 FEADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000672787635 679393519 /nfs/dbraw/zinc/39/35/19/679393519.db2.gz AYSCXXKQCKKEHB-BXKDBHETSA-N -2 3 352.334 2.022 20 0 FEADHL CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)OC ZINC000840894617 680850362 /nfs/dbraw/zinc/85/03/62/680850362.db2.gz XFJKFNVLBYTJCI-QPUJVOFHSA-N -2 3 351.371 2.002 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)cc1 ZINC000747876522 679909520 /nfs/dbraw/zinc/90/95/20/679909520.db2.gz GQQZXICGCPMTEO-UHFFFAOYSA-N -2 3 365.363 2.313 20 0 FEADHL CO[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccc(Cl)cc1 ZINC000831519673 679997711 /nfs/dbraw/zinc/99/77/11/679997711.db2.gz PLJVQJFNFSTTHZ-LBPRGKRZSA-N -2 3 359.787 2.297 20 0 FEADHL O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[N-]OCCC1CC1 ZINC000832845477 680182673 /nfs/dbraw/zinc/18/26/73/680182673.db2.gz KVCKMEWCQQMBSU-UHFFFAOYSA-N -2 3 367.254 2.120 20 0 FEADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844790821 681082740 /nfs/dbraw/zinc/08/27/40/681082740.db2.gz WOTYPPXBBQPRJK-BDAKNGLRSA-N -2 3 352.815 2.432 20 0 FEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]C2CCOCC2)c1 ZINC000844892191 681090294 /nfs/dbraw/zinc/09/02/94/681090294.db2.gz DETMGGHHEGYANS-UHFFFAOYSA-N -2 3 354.211 2.149 20 0 FEADHL COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cccc(Cl)c2[O-])cc1 ZINC000775936175 681350895 /nfs/dbraw/zinc/35/08/95/681350895.db2.gz UYQDMROVVIICGN-UHFFFAOYSA-N -2 3 363.753 2.168 20 0 FEADHL C[C@@]1(C(=O)[O-])CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000780688032 681860325 /nfs/dbraw/zinc/86/03/25/681860325.db2.gz VLONZVNVLFQKJP-AWEZNQCLSA-N -2 3 357.204 2.303 20 0 FEADHL CCc1ccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1 ZINC000852734725 682330965 /nfs/dbraw/zinc/33/09/65/682330965.db2.gz CUUSFJHQSIKLCI-KGLIPLIRSA-N -2 3 358.360 2.345 20 0 FEADHL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000853068671 682370807 /nfs/dbraw/zinc/37/08/07/682370807.db2.gz DGXWCLQQYSXSDL-SECBINFHSA-N -2 3 353.293 2.296 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CC=C(C(=O)[O-])C2)s1 ZINC000853070554 682371514 /nfs/dbraw/zinc/37/15/14/682371514.db2.gz XTZVUGBZJSUYQY-MRVPVSSYSA-N -2 3 366.258 2.271 20 0 FEADHL CO[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F)C(F)(F)F ZINC000787250398 682445399 /nfs/dbraw/zinc/44/53/99/682445399.db2.gz VLXVRNZNDYKWQO-NSHDSACASA-N -2 3 373.324 2.078 20 0 FEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C1CC1 ZINC000793986156 682923802 /nfs/dbraw/zinc/92/38/02/682923802.db2.gz RFRTXPSICIKKPX-MRVPVSSYSA-N -2 3 371.308 2.256 20 0 FEADHL C[C@@H](CC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000793986932 682923875 /nfs/dbraw/zinc/92/38/75/682923875.db2.gz TXGGQVFSIZQADD-ZETCQYMHSA-N -2 3 359.297 2.113 20 0 FEADHL O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCc2ccc([O-])c(Br)c2)O1 ZINC000911594137 685230399 /nfs/dbraw/zinc/23/03/99/685230399.db2.gz DALDGSVAHALWDL-GXFFZTMASA-N -2 3 372.215 2.183 20 0 FEADHL O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000890538703 688935991 /nfs/dbraw/zinc/93/59/91/688935991.db2.gz MSJAOGHTALCHBU-SECBINFHSA-N -2 3 369.208 2.203 20 0 FEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1coc2ccccc21)C(F)(F)F ZINC000899924199 690440499 /nfs/dbraw/zinc/44/04/99/690440499.db2.gz RKQCSIFIKADESB-MRVPVSSYSA-N -2 3 351.302 2.364 20 0 FEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CCCC1 ZINC000903026676 690834282 /nfs/dbraw/zinc/83/42/82/690834282.db2.gz RKPFVGUWKVITSG-SNVBAGLBSA-N -2 3 366.361 2.412 20 0 FEADHL Cc1cc2[n-]nc([N-]S(=O)(=O)c3cccc(C(C)C)c3)c2c(=O)n1C ZINC000903161198 690858119 /nfs/dbraw/zinc/85/81/19/690858119.db2.gz DCSUIDABZPUYHQ-UHFFFAOYSA-N -2 3 360.439 2.494 20 0 FEADHL Cc1ccc(OCC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C)c1 ZINC000008029603 539475345 /nfs/dbraw/zinc/47/53/45/539475345.db2.gz JTYXHLXMIGKXQJ-UHFFFAOYSA-N -2 3 367.398 2.498 20 0 FEADHL O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc(-c2cccs2)[n-]n1 ZINC000071925132 541775337 /nfs/dbraw/zinc/77/53/37/541775337.db2.gz VHPCJTSXCFSSAC-UHFFFAOYSA-N -2 3 359.411 2.038 20 0 FEADHL CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000103059389 543089690 /nfs/dbraw/zinc/08/96/90/543089690.db2.gz JUXRJLYIQUHCAE-UHFFFAOYSA-N -2 3 374.382 2.138 20 0 FEADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000133255444 544262242 /nfs/dbraw/zinc/26/22/42/544262242.db2.gz JXUUQAPMJAXGCW-RQJHMYQMSA-N -2 3 370.652 2.490 20 0 FEADHL Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000185055889 327897028 /nfs/dbraw/zinc/89/70/28/327897028.db2.gz ZBECYTXHDLGHPF-UHFFFAOYSA-N -2 3 369.418 2.096 20 0 FEADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1cccc([O-])c1F ZINC000129728667 326545481 /nfs/dbraw/zinc/54/54/81/326545481.db2.gz FJUAIFRBZFYQFJ-UHFFFAOYSA-N -2 3 364.807 2.163 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nc(-c3ccsc3)ns2)co1 ZINC000132945655 326600424 /nfs/dbraw/zinc/60/04/24/326600424.db2.gz OISKBKORBSWHCU-UHFFFAOYSA-N -2 3 370.437 2.020 20 0 FEADHL COc1ccc([O-])c(C(=O)N2CCC(n3ncc(C(=O)[O-])c3C)CC2)c1 ZINC000263194272 328924009 /nfs/dbraw/zinc/92/40/09/328924009.db2.gz MWBOCGRHAGIIHN-UHFFFAOYSA-N -2 3 359.382 2.081 20 0 FEADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000274980939 329999036 /nfs/dbraw/zinc/99/90/36/329999036.db2.gz XREZVFICUTWQDM-UHFFFAOYSA-N -2 3 353.227 2.310 20 0 FEADHL Cc1nc(CC[N-]S(=O)(=O)c2cccc(C)c2F)sc1C(=O)[O-] ZINC000275183500 330019657 /nfs/dbraw/zinc/01/96/57/330019657.db2.gz DQGWIDDHFAMIAM-UHFFFAOYSA-N -2 3 358.416 2.118 20 0 FEADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000554531240 674321964 /nfs/dbraw/zinc/32/19/64/674321964.db2.gz PNNZPXXTOCZCNV-MRVPVSSYSA-N -2 3 354.350 2.268 20 0 FEADHL CCc1n[n-]c([N-]C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)n1 ZINC000479128533 561182080 /nfs/dbraw/zinc/18/20/80/561182080.db2.gz DVTRUNYEWHZXIV-UHFFFAOYSA-N -2 3 369.282 2.358 20 0 FEADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1 ZINC000484528463 561299194 /nfs/dbraw/zinc/29/91/94/561299194.db2.gz JNIPMOJHXXPECQ-UHFFFAOYSA-N -2 3 362.338 2.166 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(F)c2)c(F)c1 ZINC000185003280 547915768 /nfs/dbraw/zinc/91/57/68/547915768.db2.gz IYNNWWJOKAVRPS-TZMCWYRMSA-N -2 3 353.346 2.497 20 0 FEADHL CS(=O)(=O)[N-]c1cc(C(=O)Nc2cccc(C(=O)[O-])c2)ccc1F ZINC000486184022 561340451 /nfs/dbraw/zinc/34/04/51/561340451.db2.gz CDKRFDFAGPSQED-UHFFFAOYSA-N -2 3 352.343 2.148 20 0 FEADHL C[C@@H]1CCCN1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000488258626 561386904 /nfs/dbraw/zinc/38/69/04/561386904.db2.gz FAKPCOMEEMKMHZ-MRVPVSSYSA-N -2 3 368.333 2.424 20 0 FEADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000263050404 549873799 /nfs/dbraw/zinc/87/37/99/549873799.db2.gz DKAXFIKTXWYQKA-VIFPVBQESA-N -2 3 369.361 2.452 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCSC2)c(Cl)cc1F ZINC000280751757 551028188 /nfs/dbraw/zinc/02/81/88/551028188.db2.gz XHHJWNKNPABUSC-ZETCQYMHSA-N -2 3 353.824 2.209 20 0 FEADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccccc1CCCC(=O)[O-] ZINC000287714972 552037362 /nfs/dbraw/zinc/03/73/62/552037362.db2.gz YGIMFWKNUFWPPG-UHFFFAOYSA-N -2 3 357.428 2.035 20 0 FEADHL O=C([O-])CCCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000291909107 552673992 /nfs/dbraw/zinc/67/39/92/552673992.db2.gz RWWSLMWGBRRZRG-UHFFFAOYSA-N -2 3 359.297 2.258 20 0 FEADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000296800059 553213489 /nfs/dbraw/zinc/21/34/89/553213489.db2.gz BOADMBRCTQSAQZ-HTQZYQBOSA-N -2 3 353.227 2.168 20 0 FEADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000503975523 561651082 /nfs/dbraw/zinc/65/10/82/561651082.db2.gz XGWDCKWZCSFDHJ-UHFFFAOYSA-N -2 3 358.358 2.080 20 0 FEADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000503975523 561651083 /nfs/dbraw/zinc/65/10/83/561651083.db2.gz XGWDCKWZCSFDHJ-UHFFFAOYSA-N -2 3 358.358 2.080 20 0 FEADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000503975523 561651084 /nfs/dbraw/zinc/65/10/84/561651084.db2.gz XGWDCKWZCSFDHJ-UHFFFAOYSA-N -2 3 358.358 2.080 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC000530477554 562412615 /nfs/dbraw/zinc/41/26/15/562412615.db2.gz XECVUMJLCFLECQ-GFCCVEGCSA-N -2 3 360.844 2.463 20 0 FEADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000312860653 553756450 /nfs/dbraw/zinc/75/64/50/553756450.db2.gz YHLBEBXJNYZTDV-UHFFFAOYSA-N -2 3 368.224 2.367 20 0 FEADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000314362612 553758916 /nfs/dbraw/zinc/75/89/16/553758916.db2.gz XCJIJDQAUBJPPK-SNVBAGLBSA-N -2 3 350.780 2.026 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)c1nccs1 ZINC000321927079 553767365 /nfs/dbraw/zinc/76/73/65/553767365.db2.gz YGNMFXCHUQEJNN-NSHDSACASA-N -2 3 356.425 2.280 20 0 FEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000326845999 553783526 /nfs/dbraw/zinc/78/35/26/553783526.db2.gz DIKCQORVGJULKM-UHFFFAOYSA-N -3 3 369.326 2.037 20 0 FEADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cc([O-])ccc1C(F)(F)F ZINC000507864540 561743813 /nfs/dbraw/zinc/74/38/13/561743813.db2.gz PZEDQXOLLQDDDK-UHFFFAOYSA-N -2 3 365.271 2.345 20 0 FEADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3c(F)cccc3CO)c1)CCC2 ZINC000508240544 561756275 /nfs/dbraw/zinc/75/62/75/561756275.db2.gz WTMTUIIGLXGDKD-UHFFFAOYSA-N -2 3 365.382 2.306 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cnc2ccccc2c1 ZINC000509202161 561789773 /nfs/dbraw/zinc/78/97/73/561789773.db2.gz HWZQWYGFTGIXTD-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cnc2ccccc2c1 ZINC000509202161 561789774 /nfs/dbraw/zinc/78/97/74/561789774.db2.gz HWZQWYGFTGIXTD-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL CS(=O)(=O)[N-]c1cncc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000350830688 554816831 /nfs/dbraw/zinc/81/68/31/554816831.db2.gz BZSZSZKGQWAHAX-UHFFFAOYSA-N -2 3 350.331 2.015 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000368797807 556415286 /nfs/dbraw/zinc/41/52/86/556415286.db2.gz CUTJYNJZAOQQRB-WFASDCNBSA-N -2 3 371.430 2.215 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2COc3ccccc32)c(F)cc1F ZINC000371851515 557311129 /nfs/dbraw/zinc/31/11/29/557311129.db2.gz GNBJPAAYPJPCBV-LBPRGKRZSA-N -2 3 355.318 2.075 20 0 FEADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1OC ZINC000519363172 562130072 /nfs/dbraw/zinc/13/00/72/562130072.db2.gz NOWNSWYAFVZLKK-UHFFFAOYSA-N -2 3 355.343 2.342 20 0 FEADHL Cc1ccc(-c2cc(=NC(=O)N=c3[n-]nc(-c4nccn4C)s3)[nH][n-]2)o1 ZINC000375408895 558022484 /nfs/dbraw/zinc/02/24/84/558022484.db2.gz NBTZTNJBZUVXEA-UHFFFAOYSA-N -2 3 370.398 2.874 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000521620833 562180450 /nfs/dbraw/zinc/18/04/50/562180450.db2.gz MRDWCSAQXHLBHB-JSGCOSHPSA-N -2 3 373.333 2.065 20 0 FEADHL CCn1ncc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1C(F)(F)F ZINC000410408895 558755343 /nfs/dbraw/zinc/75/53/43/558755343.db2.gz VJTFBUHCAYWFSB-UHFFFAOYSA-N -2 3 365.333 2.437 20 0 FEADHL O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000412323350 559027889 /nfs/dbraw/zinc/02/78/89/559027889.db2.gz IXNVJIHEVUZDRB-SECBINFHSA-N -2 3 373.800 2.025 20 0 FEADHL COC(=O)c1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)[n-]1 ZINC000432873812 559866826 /nfs/dbraw/zinc/86/68/26/559866826.db2.gz CBVXCMONQCLHPZ-UHFFFAOYSA-N -2 3 352.350 2.112 20 0 FEADHL Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(O)cc3C)ccc12 ZINC000436526920 559944186 /nfs/dbraw/zinc/94/41/86/559944186.db2.gz JUIMINAWYFGUBK-UHFFFAOYSA-N -2 3 361.379 2.384 20 0 FEADHL Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(O)cc3C)ccc12 ZINC000436526920 559944187 /nfs/dbraw/zinc/94/41/87/559944187.db2.gz JUIMINAWYFGUBK-UHFFFAOYSA-N -2 3 361.379 2.384 20 0 FEADHL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000442318185 560049065 /nfs/dbraw/zinc/04/90/65/560049065.db2.gz BAUFSRXWFWIZBY-UHFFFAOYSA-N -2 3 366.370 2.027 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)o1 ZINC000530150237 562400123 /nfs/dbraw/zinc/40/01/23/562400123.db2.gz ILELYAAOKXDBPW-DDTOSNHZSA-N -2 3 353.783 2.248 20 0 FEADHL Cc1cc(C([O-])=CS(=O)(=O)c2nc(Cc3ccccc3)n[n-]2)c(C)n1C ZINC000530473435 562412487 /nfs/dbraw/zinc/41/24/87/562412487.db2.gz WMFLBMNLPJUWAI-UHFFFAOYSA-N -2 3 372.450 2.007 20 0 FEADHL Cc1cc(C([O-])=CS(=O)(=O)c2nnc(Cc3ccccc3)[n-]2)c(C)n1C ZINC000530473435 562412488 /nfs/dbraw/zinc/41/24/88/562412488.db2.gz WMFLBMNLPJUWAI-UHFFFAOYSA-N -2 3 372.450 2.007 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000532001684 562463754 /nfs/dbraw/zinc/46/37/54/562463754.db2.gz MJYMJUPBHYYNRK-SNVBAGLBSA-N -2 3 368.436 2.060 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2scnc2C2CC2)ccc1[O-] ZINC000535686765 562564076 /nfs/dbraw/zinc/56/40/76/562564076.db2.gz XKQLMZBDJVPILY-UHFFFAOYSA-N -2 3 353.425 2.485 20 0 FEADHL COC(=O)c1cc(C(=O)N=c2nc(-c3cccc(OC)c3)[n-]s2)c[n-]1 ZINC000556028089 674385290 /nfs/dbraw/zinc/38/52/90/674385290.db2.gz BQIMBNGBTOHKAI-UHFFFAOYSA-N -2 3 358.379 2.003 20 0 FEADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000604305644 568247358 /nfs/dbraw/zinc/24/73/58/568247358.db2.gz MEXREGGVKLTZPS-UHFFFAOYSA-N -2 3 361.431 2.062 20 0 FEADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000604305644 568247359 /nfs/dbraw/zinc/24/73/59/568247359.db2.gz MEXREGGVKLTZPS-UHFFFAOYSA-N -2 3 361.431 2.062 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)cnc1Cl ZINC000822211612 607256065 /nfs/dbraw/zinc/25/60/65/607256065.db2.gz HMKDLSOKNQNFBJ-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820197193 599232634 /nfs/dbraw/zinc/23/26/34/599232634.db2.gz HCHPPWNYXPJNNW-UHFFFAOYSA-N -2 3 350.429 2.247 20 0 FEADHL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820197193 599232637 /nfs/dbraw/zinc/23/26/37/599232637.db2.gz HCHPPWNYXPJNNW-UHFFFAOYSA-N -2 3 350.429 2.247 20 0 FEADHL C[C@@](CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)(C(=O)[O-])c1ccccc1 ZINC000735978052 598617365 /nfs/dbraw/zinc/61/73/65/598617365.db2.gz SWTJPVMWRYFDHU-SFHVURJKSA-N -2 3 369.356 2.377 20 0 FEADHL C[C@@](CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)(C(=O)[O-])c1ccccc1 ZINC000735978052 598617367 /nfs/dbraw/zinc/61/73/67/598617367.db2.gz SWTJPVMWRYFDHU-SFHVURJKSA-N -2 3 369.356 2.377 20 0 FEADHL CC(C)c1ccc(OCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000566180385 599770980 /nfs/dbraw/zinc/77/09/80/599770980.db2.gz HHVKCVJVLZKLIJ-UHFFFAOYSA-N -2 3 353.396 2.459 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)OCc2cccc(C(=O)[O-])c2)c([O-])c1 ZINC000738514940 599789241 /nfs/dbraw/zinc/78/92/41/599789241.db2.gz NYPBOIFIAZLHNE-UHFFFAOYSA-N -2 3 357.362 2.262 20 0 FEADHL COc1ccc([C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)C(=O)[O-])cc1 ZINC000737969168 599799774 /nfs/dbraw/zinc/79/97/74/599799774.db2.gz IWUJBFIPNZDLIU-CYBMUJFWSA-N -2 3 357.334 2.078 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)Nc2ccc(CCC(=O)[O-])cc2)c([O-])c1 ZINC000738514308 599811211 /nfs/dbraw/zinc/81/12/11/599811211.db2.gz APDFVIQALVCNTF-UHFFFAOYSA-N -2 3 370.405 2.476 20 0 FEADHL O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000547916387 600687508 /nfs/dbraw/zinc/68/75/08/600687508.db2.gz VJNDSCWSXYCLFW-ZDUSSCGKSA-N -2 3 359.325 2.078 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2COc3c2ccc(C)c3C)cc1C(=O)[O-] ZINC000572957481 601220292 /nfs/dbraw/zinc/22/02/92/601220292.db2.gz DNODEQPMOPQKOE-CYBMUJFWSA-N -2 3 351.380 2.315 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2)o1 ZINC000833323277 601228011 /nfs/dbraw/zinc/22/80/11/601228011.db2.gz NRFJEMVMOALHJG-LLVKDONJSA-N -2 3 370.814 2.188 20 0 FEADHL CCC1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)(C(=O)OC)CC1 ZINC000829112400 601260729 /nfs/dbraw/zinc/26/07/29/601260729.db2.gz JRWUVHYEUOPZKS-UHFFFAOYSA-N -2 3 373.427 2.077 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1ccco1 ZINC000831660862 601263036 /nfs/dbraw/zinc/26/30/36/601263036.db2.gz RMUJEEJKZYBTAK-DEBLGDTFSA-N -2 3 351.380 2.043 20 0 FEADHL CCc1nc(C2([N-]S(=O)(=O)c3csc(C(=O)[O-])c3)CCCC2)no1 ZINC000567805437 601265277 /nfs/dbraw/zinc/26/52/77/601265277.db2.gz CFXJNLHYJIPWPR-UHFFFAOYSA-N -2 3 371.440 2.140 20 0 FEADHL O=C([O-])c1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000833330646 601294505 /nfs/dbraw/zinc/29/45/05/601294505.db2.gz ZDCFBADOCXFKAG-UHFFFAOYSA-N -2 3 369.377 2.080 20 0 FEADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CC1 ZINC000828106521 601395292 /nfs/dbraw/zinc/39/52/92/601395292.db2.gz ACJSOKGWIWEIRA-UHFFFAOYSA-N -2 3 366.208 2.365 20 0 FEADHL Cc1sc(C(=O)[O-])cc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000833032846 601642313 /nfs/dbraw/zinc/64/23/13/601642313.db2.gz NQAVXGDIBFYVHJ-UHFFFAOYSA-N -2 3 360.435 2.418 20 0 FEADHL CN(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)ccn1 ZINC000830631545 601843708 /nfs/dbraw/zinc/84/37/08/601843708.db2.gz NFSHSLFPFPRKFH-UHFFFAOYSA-N -2 3 355.803 2.300 20 0 FEADHL Cc1nc2cc([N-]S(=O)(=O)c3cccc(C)c3-c3nnn[n-]3)ccc2o1 ZINC000826328902 607534975 /nfs/dbraw/zinc/53/49/75/607534975.db2.gz IWHSPPITKBMSCP-UHFFFAOYSA-N -2 3 370.394 2.426 20 0 FEADHL Cc1nc2cc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)ccc2o1 ZINC000826328902 607534976 /nfs/dbraw/zinc/53/49/76/607534976.db2.gz IWHSPPITKBMSCP-UHFFFAOYSA-N -2 3 370.394 2.426 20 0 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CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825081994 608581887 /nfs/dbraw/zinc/58/18/87/608581887.db2.gz OXQUZZIGYWCURS-SNVBAGLBSA-N -2 3 361.431 2.143 20 0 FEADHL O=C(NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1c([O-])cc(F)cc1F ZINC000826428116 608818056 /nfs/dbraw/zinc/81/80/56/608818056.db2.gz PEBNUKZXEPIVCB-UHFFFAOYSA-N -2 3 357.320 2.270 20 0 FEADHL O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1c([O-])cc(F)cc1F ZINC000826428116 608818059 /nfs/dbraw/zinc/81/80/59/608818059.db2.gz PEBNUKZXEPIVCB-UHFFFAOYSA-N -2 3 357.320 2.270 20 0 FEADHL CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000824024400 609350517 /nfs/dbraw/zinc/35/05/17/609350517.db2.gz CPWYKNDDLNRRSX-LLVKDONJSA-N -2 3 367.365 2.181 20 0 FEADHL CC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000824024400 609350519 /nfs/dbraw/zinc/35/05/19/609350519.db2.gz CPWYKNDDLNRRSX-LLVKDONJSA-N -2 3 367.365 2.181 20 0 FEADHL Cc1onc(CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1-c1nnn[n-]1 ZINC000826348497 609469094 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O=C([N-]N=c1[n-]c(-c2ccncc2)no1)c1ncccc1Br ZINC000193069895 672711699 /nfs/dbraw/zinc/71/16/99/672711699.db2.gz ATADONFLKFDGAQ-UHFFFAOYSA-N -2 3 361.159 2.046 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1F ZINC000427328332 673210698 /nfs/dbraw/zinc/21/06/98/673210698.db2.gz BZIUGTOYMGKFMY-UHFFFAOYSA-N -3 3 357.290 2.162 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])nn1[C@@H](C)C1CC1 ZINC000543163614 673628809 /nfs/dbraw/zinc/62/88/09/673628809.db2.gz PXMKPKBSKHWDIV-JTQLQIEISA-N -3 3 365.411 2.367 20 0 FEADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547548652 673861668 /nfs/dbraw/zinc/86/16/68/673861668.db2.gz NZZRBARWTSIINB-ZANVPECISA-N -2 3 373.814 2.163 20 0 FEADHL O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000547553856 673862397 /nfs/dbraw/zinc/86/23/97/673862397.db2.gz YXAVREMUPMCTLV-UHFFFAOYSA-N -2 3 366.873 2.006 20 0 FEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)c1 ZINC000547614969 673874833 /nfs/dbraw/zinc/87/48/33/673874833.db2.gz JPIHKPPPKWLOGZ-SNVBAGLBSA-N -2 3 363.457 2.093 20 0 FEADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000547639859 673877061 /nfs/dbraw/zinc/87/70/61/673877061.db2.gz FPFKIJYFLMKPEI-QMMMGPOBSA-N -2 3 364.807 2.416 20 0 FEADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000548266157 673945387 /nfs/dbraw/zinc/94/53/87/673945387.db2.gz RIPVXVZPWFZUBF-LBPRGKRZSA-N -2 3 373.814 2.495 20 0 FEADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)n[n-]1 ZINC000548279652 673946903 /nfs/dbraw/zinc/94/69/03/673946903.db2.gz BUKIMEQWUYBQRZ-UHFFFAOYSA-N -2 3 360.395 2.244 20 0 FEADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000548532689 673966604 /nfs/dbraw/zinc/96/66/04/673966604.db2.gz HSIDWBGAELHSQO-UHFFFAOYSA-N -2 3 360.391 2.297 20 0 FEADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000548769130 673994012 /nfs/dbraw/zinc/99/40/12/673994012.db2.gz ASCMNWLAYZGGGM-UHFFFAOYSA-N -2 3 374.340 2.320 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1-c1nn[n-]n1 ZINC000826299339 675685841 /nfs/dbraw/zinc/68/58/41/675685841.db2.gz AEZLFVVVPUHYHA-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1cc(F)cc(Cl)c1 ZINC000826493011 675689637 /nfs/dbraw/zinc/68/96/37/675689637.db2.gz OTZBLYFWSNIYGT-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCOCC2)c1 ZINC000829447021 675879101 /nfs/dbraw/zinc/87/91/01/675879101.db2.gz DYIORSYTWWOJMS-MRXNPFEDSA-N -2 3 365.407 2.424 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)CCC2CC2)c(OCCCCO)c1 ZINC000629328331 676846823 /nfs/dbraw/zinc/84/68/23/676846823.db2.gz GUJWRSMXGNHYLW-UHFFFAOYSA-N -2 3 357.428 2.078 20 0 FEADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000830784665 677060280 /nfs/dbraw/zinc/06/02/80/677060280.db2.gz XRXJETMZEMWFLM-AWEZNQCLSA-N -2 3 364.751 2.258 20 0 FEADHL O=S(=O)([N-]c1ccc(O[C@@H]2CCOC2)cc1)c1cc([O-])cc(F)c1 ZINC000634789522 677082458 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372.443 2.142 20 0 FEADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)C(F)(F)F ZINC000663293311 678717245 /nfs/dbraw/zinc/71/72/45/678717245.db2.gz DMCJXNCZCAKMEQ-ZETCQYMHSA-N -2 3 360.741 2.057 20 0 FEADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)C(F)(F)F ZINC000663293310 678717261 /nfs/dbraw/zinc/71/72/61/678717261.db2.gz DMCJXNCZCAKMEQ-SSDOTTSWSA-N -2 3 360.741 2.057 20 0 FEADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C2CC2)n1 ZINC000663423952 678735768 /nfs/dbraw/zinc/73/57/68/678735768.db2.gz KNYGWCWBUFAUCR-NSHDSACASA-N -2 3 356.425 2.481 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc2c(c1)CCCO2 ZINC000663438595 678741548 /nfs/dbraw/zinc/74/15/48/678741548.db2.gz SOUWGTFRPHQBAV-VIFPVBQESA-N -2 3 368.436 2.206 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)sc1C(=O)[O-] ZINC000765127563 680831969 /nfs/dbraw/zinc/83/19/69/680831969.db2.gz VUAODGYZOWKEOW-UHFFFAOYSA-N -2 3 370.437 2.065 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C(=O)[O-] ZINC000840785416 680842759 /nfs/dbraw/zinc/84/27/59/680842759.db2.gz REUCVMWFNJEQGX-QMMMGPOBSA-N -2 3 368.224 2.286 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl)C(F)F ZINC000840889608 680849497 /nfs/dbraw/zinc/84/94/97/680849497.db2.gz DYMHRTSMXLIRLB-MRVPVSSYSA-N -2 3 357.762 2.369 20 0 FEADHL O=C([O-])[C@@H](CC1CCOCC1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000776603602 681414639 /nfs/dbraw/zinc/41/46/39/681414639.db2.gz YGEYTNKMLUDVNU-GFCCVEGCSA-N -2 3 365.810 2.027 20 0 FEADHL O=C([O-])C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000776609948 681415976 /nfs/dbraw/zinc/41/59/76/681415976.db2.gz FGWJAKKSYSKPDX-CYBMUJFWSA-N -2 3 355.362 2.329 20 0 FEADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776632650 681420464 /nfs/dbraw/zinc/42/04/64/681420464.db2.gz ANJLUFIHCKLYMZ-BXKDBHETSA-N -2 3 353.227 2.310 20 0 FEADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776632656 681420551 /nfs/dbraw/zinc/42/05/51/681420551.db2.gz ANJLUFIHCKLYMZ-JOYOIKCWSA-N -2 3 353.227 2.310 20 0 FEADHL O=C([O-])/C=C/C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000788444764 682530270 /nfs/dbraw/zinc/53/02/70/682530270.db2.gz BBIQBZFQOHJXLZ-OWOJBTEDSA-N -2 3 358.828 2.383 20 0 FEADHL CC(=O)C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000863411233 683718974 /nfs/dbraw/zinc/71/89/74/683718974.db2.gz VGNKYLSWWWHBCH-VIFPVBQESA-N -2 3 354.211 2.012 20 0 FEADHL O=S(=O)([N-]c1cccc([O-])c1Br)c1cn2c(n1)CCCC2 ZINC000882734995 687462488 /nfs/dbraw/zinc/46/24/88/687462488.db2.gz RJFHKKKRABPRAZ-UHFFFAOYSA-N -2 3 372.244 2.488 20 0 FEADHL C[C@]1(C(=O)[O-])C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000906007730 691212313 /nfs/dbraw/zinc/21/23/13/691212313.db2.gz BOEDFGZBWAJLEM-AMIZOPFISA-N -2 3 368.238 2.294 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@](C)(C(=O)[O-])C2)sc1Cl ZINC000906011360 691212919 /nfs/dbraw/zinc/21/29/19/691212919.db2.gz RYINJRVIJJOGON-QPUJVOFHSA-N -2 3 353.849 2.011 20 0 FEADHL O=C([O-])c1cccc(S(=O)(=O)[N-]CC[C@H]2CC2(Cl)Cl)c1F ZINC000907054870 691382447 /nfs/dbraw/zinc/38/24/47/691382447.db2.gz WHJMRRZSXGCMNW-ZETCQYMHSA-N -2 3 356.202 2.386 20 0 FEADHL O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000910243058 691905276 /nfs/dbraw/zinc/90/52/76/691905276.db2.gz NIQPSQOZRFNOSX-DZGCQCFKSA-N -2 3 353.390 2.240 20 0 FEADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000013278596 539586167 /nfs/dbraw/zinc/58/61/67/539586167.db2.gz LASIOPZRSFTYTL-UHFFFAOYSA-N -2 3 367.770 2.009 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1Cl ZINC000103059352 543089674 /nfs/dbraw/zinc/08/96/74/543089674.db2.gz LVYWUOGEHMWRQM-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1Cl ZINC000103059352 543089677 /nfs/dbraw/zinc/08/96/77/543089677.db2.gz LVYWUOGEHMWRQM-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1Cl ZINC000114604720 543525649 /nfs/dbraw/zinc/52/56/49/543525649.db2.gz UHCWMPYEFQGEJN-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1Cl ZINC000114604720 543525652 /nfs/dbraw/zinc/52/56/52/543525652.db2.gz UHCWMPYEFQGEJN-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1cc(F)ccc1Cl ZINC000122927072 543731819 /nfs/dbraw/zinc/73/18/19/543731819.db2.gz MQZKNUBMEFOOAE-UHFFFAOYSA-N -2 3 367.793 2.384 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1cc(F)ccc1Cl ZINC000122927072 543731823 /nfs/dbraw/zinc/73/18/23/543731823.db2.gz MQZKNUBMEFOOAE-UHFFFAOYSA-N -2 3 367.793 2.384 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000128940597 544081827 /nfs/dbraw/zinc/08/18/27/544081827.db2.gz NMMXFMMMDYJLMT-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000128940597 544081829 /nfs/dbraw/zinc/08/18/29/544081829.db2.gz NMMXFMMMDYJLMT-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL CSCC[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000006458352 324351816 /nfs/dbraw/zinc/35/18/16/324351816.db2.gz MKJQBUMAJFWABJ-VIFPVBQESA-N -2 3 357.375 2.190 20 0 FEADHL C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000133433687 326608846 /nfs/dbraw/zinc/60/88/46/326608846.db2.gz BSJLFCXHDWYTLZ-NTSWFWBYSA-N -2 3 354.247 2.143 20 0 FEADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161828707 327010262 /nfs/dbraw/zinc/01/02/62/327010262.db2.gz CRMYWSVEDHXNOU-LBPRGKRZSA-N -2 3 368.224 2.367 20 0 FEADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl)C(=O)[O-] ZINC000262694372 328881522 /nfs/dbraw/zinc/88/15/22/328881522.db2.gz WYXIXFVKFWEFCN-LLVKDONJSA-N -2 3 363.819 2.048 20 0 FEADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000263151866 328920287 /nfs/dbraw/zinc/92/02/87/328920287.db2.gz FLJCDBINEXNOIE-MWLCHTKSSA-N -2 3 371.231 2.407 20 0 FEADHL CC(C)(C)CC[C@@H](NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C(=O)[O-] ZINC000263188073 328923531 /nfs/dbraw/zinc/92/35/31/328923531.db2.gz SJFBFAXMHQEPDG-GFCCVEGCSA-N -2 3 374.434 2.207 20 0 FEADHL CN(C)CCOc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000271212292 329673507 /nfs/dbraw/zinc/67/35/07/329673507.db2.gz MDBJYDFPDPALKW-UHFFFAOYSA-N -2 3 370.452 2.188 20 0 FEADHL C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000273670882 329883076 /nfs/dbraw/zinc/88/30/76/329883076.db2.gz JISUJOOIECBWAQ-NKWVEPMBSA-N -2 3 366.208 2.221 20 0 FEADHL C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CCO1 ZINC000273678392 329883625 /nfs/dbraw/zinc/88/36/25/329883625.db2.gz HEDPCFQKHJNOCJ-IUCAKERBSA-N -2 3 365.810 2.271 20 0 FEADHL COc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])cc1OC ZINC000275180705 330019236 /nfs/dbraw/zinc/01/92/36/330019236.db2.gz KLOROLQMBQKFNW-VIFPVBQESA-N -2 3 363.407 2.011 20 0 FEADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000275181862 330019401 /nfs/dbraw/zinc/01/94/01/330019401.db2.gz KROVYTDPSJHJQB-MRVPVSSYSA-N -2 3 365.249 2.012 20 0 FEADHL COC[C@@H](C)S(=O)(=O)[N-]c1c(C)ccc(Br)c1C(=O)[O-] ZINC000275270608 330028849 /nfs/dbraw/zinc/02/88/49/330028849.db2.gz NCSLZNZDISLVCB-MRVPVSSYSA-N -2 3 366.233 2.232 20 0 FEADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2ccc(Cl)s2)(C(=O)[O-])C1(C)C ZINC000275551784 330062671 /nfs/dbraw/zinc/06/26/71/330062671.db2.gz DTCPZDLFZZFXSG-OQPBUACISA-N -2 3 367.876 2.338 20 0 FEADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCOC1 ZINC000367135137 330221238 /nfs/dbraw/zinc/22/12/38/330221238.db2.gz HVZBFIVIWGHRIS-CYBMUJFWSA-N -2 3 361.828 2.077 20 0 FEADHL CCc1n[n-]c([N-]C(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)n1 ZINC000479058919 561180551 /nfs/dbraw/zinc/18/05/51/561180551.db2.gz UHTARPRJUGRWOZ-UHFFFAOYSA-N -2 3 369.282 2.358 20 0 FEADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000176686138 546476884 /nfs/dbraw/zinc/47/68/84/546476884.db2.gz XHDGFPSGNZKLIV-UHFFFAOYSA-N -2 3 358.416 2.306 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)ccc1[O-] ZINC000481464878 561233337 /nfs/dbraw/zinc/23/33/37/561233337.db2.gz NUOPEAULWBHLEM-UHFFFAOYSA-N -2 3 372.406 2.337 20 0 FEADHL CC[C@H](CNC(=O)c1c([O-])cccc1F)NC(=O)c1c([O-])cccc1F ZINC000185202772 547951200 /nfs/dbraw/zinc/95/12/00/547951200.db2.gz RCUUUCUNMDJERG-SNVBAGLBSA-N -2 3 364.348 2.314 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(-n2ccnn2)c1 ZINC000486487136 561348587 /nfs/dbraw/zinc/34/85/87/561348587.db2.gz BIZVSESHEVIZLY-UHFFFAOYSA-N -2 3 358.379 2.075 20 0 FEADHL C[C@@H](CCC[N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000229517094 548756000 /nfs/dbraw/zinc/75/60/00/548756000.db2.gz RFGIAXWHKCVCTP-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000261620764 549735471 /nfs/dbraw/zinc/73/54/71/549735471.db2.gz CCEUGWGZLZPINY-SNVBAGLBSA-N -2 3 370.652 2.490 20 0 FEADHL CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000262294357 549807272 /nfs/dbraw/zinc/80/72/72/549807272.db2.gz IHRNPZRNCJBBQS-VIFPVBQESA-N -2 3 359.297 2.112 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C)c1ccc(C)o1 ZINC000273643042 550506540 /nfs/dbraw/zinc/50/65/40/550506540.db2.gz FMBVNNFAMDLWOO-CYBMUJFWSA-N -2 3 353.396 2.261 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000276967384 550616442 /nfs/dbraw/zinc/61/64/42/550616442.db2.gz WHEYGOFKOWJMNL-UHFFFAOYSA-N -2 3 370.652 2.492 20 0 FEADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000277110771 550633379 /nfs/dbraw/zinc/63/33/79/550633379.db2.gz DHCMDNJCINZJFR-UHFFFAOYSA-N -2 3 359.283 2.006 20 0 FEADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000282052217 551174707 /nfs/dbraw/zinc/17/47/07/551174707.db2.gz UAUJGEIFPKZVCA-LURJTMIESA-N -2 3 356.625 2.244 20 0 FEADHL C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000285509757 551767352 /nfs/dbraw/zinc/76/73/52/551767352.db2.gz QBXQJCPZTDELGA-IUCAKERBSA-N -2 3 365.810 2.128 20 0 FEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(-c4ncco4)cc3)ccc21 ZINC000499262268 561547131 /nfs/dbraw/zinc/54/71/31/561547131.db2.gz BCXMKWHBBIPULF-UHFFFAOYSA-N -2 3 369.358 2.026 20 0 FEADHL Cc1nc(Cl)ccc1S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F ZINC000287485807 552010313 /nfs/dbraw/zinc/01/03/13/552010313.db2.gz KKCIUUOYLDBARN-MRVPVSSYSA-N -2 3 374.768 2.365 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1c(F)cccc1F ZINC000297027938 553244166 /nfs/dbraw/zinc/24/41/66/553244166.db2.gz SYANSSHBFFHRMW-PRHODGIISA-N -2 3 369.336 2.445 20 0 FEADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000504694425 561661347 /nfs/dbraw/zinc/66/13/47/561661347.db2.gz HXAGIBIBBNDAII-UHFFFAOYSA-N -2 3 363.391 2.276 20 0 FEADHL Cc1nc(C=Cc2ccc3c(c2)sc(=O)n3C)[n-]c(=O)c1CC(=O)[O-] ZINC000504730350 561661734 /nfs/dbraw/zinc/66/17/34/561661734.db2.gz MDUAOEAFZPUULF-GQCTYLIASA-N -2 3 357.391 2.202 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(=O)[O-])c1F ZINC000313236205 553757255 /nfs/dbraw/zinc/75/72/55/553757255.db2.gz JFNGWYVPOWDVCO-AWEZNQCLSA-N -2 3 351.399 2.498 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)c1nccs1 ZINC000325044851 553774698 /nfs/dbraw/zinc/77/46/98/553774698.db2.gz NQGDWJFSUYMFMK-CYBMUJFWSA-N -2 3 370.452 2.426 20 0 FEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)o1 ZINC000325442791 553776256 /nfs/dbraw/zinc/77/62/56/553776256.db2.gz FMZVFOGNURTDSX-UHFFFAOYSA-N -2 3 365.285 2.355 20 0 FEADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1 ZINC000326791688 553783417 /nfs/dbraw/zinc/78/34/17/553783417.db2.gz RDCVTCPLRYQTRD-UHFFFAOYSA-N -2 3 352.343 2.283 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1CO ZINC000327044876 553785926 /nfs/dbraw/zinc/78/59/26/553785926.db2.gz VZIBEORQDHPNBA-UHFFFAOYSA-N -2 3 365.407 2.006 20 0 FEADHL COCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000327608767 553790112 /nfs/dbraw/zinc/79/01/12/553790112.db2.gz IPABEXMYKCPKSV-UHFFFAOYSA-N -2 3 365.407 2.140 20 0 FEADHL CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1C ZINC000327962591 553792503 /nfs/dbraw/zinc/79/25/03/553792503.db2.gz VABRDFCWJDROPI-UHFFFAOYSA-N -2 3 362.407 2.162 20 0 FEADHL CCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)cs1 ZINC000328178416 553793514 /nfs/dbraw/zinc/79/35/14/553793514.db2.gz YOENAYWVKAUHBQ-UHFFFAOYSA-N -2 3 358.416 2.330 20 0 FEADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Br)C1 ZINC000514606502 561969665 /nfs/dbraw/zinc/96/96/65/561969665.db2.gz ARAYVBNNFLNPNW-FKQCQYRASA-N -2 3 368.636 2.244 20 0 FEADHL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000517343618 562085891 /nfs/dbraw/zinc/08/58/91/562085891.db2.gz JHRXWHPPGDYELY-UHFFFAOYSA-N -2 3 366.782 2.033 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000517531671 562091949 /nfs/dbraw/zinc/09/19/49/562091949.db2.gz IGYFAUINYXTPHV-SSDOTTSWSA-N -2 3 358.466 2.431 20 0 FEADHL C[C@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@H]1C(=O)[O-] ZINC000518528170 562113788 /nfs/dbraw/zinc/11/37/88/562113788.db2.gz RMQCQBWMHNMINH-GXSJLCMTSA-N -2 3 371.231 2.407 20 0 FEADHL O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc2n[n-]nc2c1)CC3 ZINC000373941782 557792297 /nfs/dbraw/zinc/79/22/97/557792297.db2.gz UKVKHMHNVJQLEF-UHFFFAOYSA-N -2 3 361.361 2.336 20 0 FEADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(=O)n3[O-])c2)n1 ZINC000374003853 557805755 /nfs/dbraw/zinc/80/57/55/557805755.db2.gz UAFPHAUIMGXWKP-UHFFFAOYSA-N -2 3 352.350 2.063 20 0 FEADHL CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000389954844 558609820 /nfs/dbraw/zinc/60/98/20/558609820.db2.gz DLLHTWIBWMFJGW-UHFFFAOYSA-N -2 3 370.452 2.115 20 0 FEADHL CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CCO1 ZINC000414332823 559156945 /nfs/dbraw/zinc/15/69/45/559156945.db2.gz LXLCDFWGVSTFQP-SMDDNHRTSA-N -2 3 359.419 2.253 20 0 FEADHL CCOC1(C[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)CCCC1 ZINC000414349288 559157836 /nfs/dbraw/zinc/15/78/36/559157836.db2.gz YRRAZPPFEZCCCN-UHFFFAOYSA-N -2 3 359.419 2.460 20 0 FEADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-] ZINC000527052509 562274778 /nfs/dbraw/zinc/27/47/78/562274778.db2.gz XRHZYKRSLAHZFG-SECBINFHSA-N -2 3 364.807 2.348 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2cc(C)nc(C)c2)c1 ZINC000421810659 559554365 /nfs/dbraw/zinc/55/43/65/559554365.db2.gz GEBPFVIUZOCIJM-UHFFFAOYSA-N -2 3 352.387 2.323 20 0 FEADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000527301714 562284429 /nfs/dbraw/zinc/28/44/29/562284429.db2.gz QHJDDCAPMKQSII-LLVKDONJSA-N -2 3 362.379 2.142 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)CCCCC1 ZINC000427317325 559753113 /nfs/dbraw/zinc/75/31/13/559753113.db2.gz VPXVUPPKAMFYGW-UHFFFAOYSA-N -2 3 373.402 2.389 20 0 FEADHL CCc1cccc(S(=O)(=O)[N-]c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000433505698 559883285 /nfs/dbraw/zinc/88/32/85/559883285.db2.gz BSLKIHAVAZRJAR-GOSISDBHSA-N -2 3 373.434 2.104 20 0 FEADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1OC ZINC000433806277 559888046 /nfs/dbraw/zinc/88/80/46/559888046.db2.gz RIPIWCUOBHYDCY-UHFFFAOYSA-N -3 3 367.379 2.217 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(OC)cc1F ZINC000436475984 559942391 /nfs/dbraw/zinc/94/23/91/559942391.db2.gz IEBBGPFDTXLWIS-UHFFFAOYSA-N -2 3 355.343 2.127 20 0 FEADHL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000436662017 559947921 /nfs/dbraw/zinc/94/79/21/559947921.db2.gz AMXLGTZUXKSXLZ-UHFFFAOYSA-N -3 3 369.326 2.037 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000436893661 559955436 /nfs/dbraw/zinc/95/54/36/559955436.db2.gz OPFNYWQVCXMSIB-UHFFFAOYSA-N -4 3 371.754 2.243 20 0 FEADHL CCCCOc1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)c([O-])c1 ZINC000436983795 559958449 /nfs/dbraw/zinc/95/84/49/559958449.db2.gz DHRJBNNYIKJCBF-UHFFFAOYSA-N -2 3 372.421 2.437 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)c1 ZINC000436994017 559959080 /nfs/dbraw/zinc/95/90/80/559959080.db2.gz KDINPWRNVYTXMS-UHFFFAOYSA-N -3 3 373.390 2.136 20 0 FEADHL COc1ccc(OCCS(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1 ZINC000438762633 559983185 /nfs/dbraw/zinc/98/31/85/559983185.db2.gz WLBOBFQUWRCLQV-UHFFFAOYSA-N -2 3 365.407 2.143 20 0 FEADHL CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc(-c4nnn[n-]4)cc3)c2O1 ZINC000443409433 560083212 /nfs/dbraw/zinc/08/32/12/560083212.db2.gz NSOMMJJUKXGMSC-UHFFFAOYSA-N -2 3 371.422 2.381 20 0 FEADHL CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cc3)c2O1 ZINC000443409433 560083213 /nfs/dbraw/zinc/08/32/13/560083213.db2.gz NSOMMJJUKXGMSC-UHFFFAOYSA-N -2 3 371.422 2.381 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1OC(C)C ZINC000447272475 560159163 /nfs/dbraw/zinc/15/91/63/560159163.db2.gz WSEMKERXNTVJLZ-UHFFFAOYSA-N -2 3 374.418 2.467 20 0 FEADHL O=c1[n-]c([C@H]2CCCN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)C2)n[nH]1 ZINC000459542345 560693093 /nfs/dbraw/zinc/69/30/93/560693093.db2.gz XXAKMGAMNQPAPM-ZDUSSCGKSA-N -2 3 352.398 2.053 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1C(N)=O ZINC000471132712 560999089 /nfs/dbraw/zinc/99/90/89/560999089.db2.gz JGZCXOJTBDEFRZ-UHFFFAOYSA-N -2 3 362.407 2.210 20 0 FEADHL Cc1nn(C)c(C)c1-c1cc(C(=O)N=c2nc(C3(C)CC3)[n-]s2)n[n-]1 ZINC000529702962 562381852 /nfs/dbraw/zinc/38/18/52/562381852.db2.gz HOGNDMVFEQPKCZ-UHFFFAOYSA-N -2 3 357.443 2.004 20 0 FEADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000530339601 562407611 /nfs/dbraw/zinc/40/76/11/562407611.db2.gz PKHAGNWKGLVSNF-QMMMGPOBSA-N -2 3 352.846 2.271 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@H](Cc2ccccn2)C(=O)[O-])sc1Cl ZINC000530488345 562413243 /nfs/dbraw/zinc/41/32/43/562413243.db2.gz LMESOBHDTIUQGI-JTQLQIEISA-N -2 3 374.871 2.327 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc1F ZINC000532846071 562490391 /nfs/dbraw/zinc/49/03/91/562490391.db2.gz VIQGVDDCVTWMPR-UHFFFAOYSA-N -2 3 357.334 2.484 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)ccc1OC ZINC000535765854 562567365 /nfs/dbraw/zinc/56/73/65/562567365.db2.gz YFNZHQPUXNKTPF-UHFFFAOYSA-N -2 3 355.343 2.127 20 0 FEADHL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737040818 598843517 /nfs/dbraw/zinc/84/35/17/598843517.db2.gz QMBBUSBQXDPTBM-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737040818 598843518 /nfs/dbraw/zinc/84/35/18/598843518.db2.gz QMBBUSBQXDPTBM-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000737301456 598949540 /nfs/dbraw/zinc/94/95/40/598949540.db2.gz OKTYPPGXNCIFJG-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccnc1OC(C)C ZINC000737226050 598949566 /nfs/dbraw/zinc/94/95/66/598949566.db2.gz ZQDSJIFZKKSSNK-UHFFFAOYSA-N -2 3 374.426 2.158 20 0 FEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccnc1OC(C)C ZINC000737226050 598949567 /nfs/dbraw/zinc/94/95/67/598949567.db2.gz ZQDSJIFZKKSSNK-UHFFFAOYSA-N -2 3 374.426 2.158 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cnc1Cl ZINC000152776368 599227293 /nfs/dbraw/zinc/22/72/93/599227293.db2.gz JSADVCMRVSSPQI-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736437687 599245459 /nfs/dbraw/zinc/24/54/59/599245459.db2.gz JVGXBHVHOVIXPO-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736437687 599245462 /nfs/dbraw/zinc/24/54/62/599245462.db2.gz JVGXBHVHOVIXPO-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL Cc1cccnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737437267 598607231 /nfs/dbraw/zinc/60/72/31/598607231.db2.gz SRBKNBBXKYSPTH-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1cccnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737437267 598607233 /nfs/dbraw/zinc/60/72/33/598607233.db2.gz SRBKNBBXKYSPTH-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)nc1 ZINC000737360722 598607243 /nfs/dbraw/zinc/60/72/43/598607243.db2.gz AYQSQJRPQZPNBG-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)nc1 ZINC000737360722 598607245 /nfs/dbraw/zinc/60/72/45/598607245.db2.gz AYQSQJRPQZPNBG-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL C[C@H](S[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)[O-] ZINC000736188212 598762274 /nfs/dbraw/zinc/76/22/74/598762274.db2.gz JCPPZKZLLXMGCC-BQBZGAKWSA-N -2 3 355.807 2.053 20 0 FEADHL C[C@H](S[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC000736188212 598762276 /nfs/dbraw/zinc/76/22/76/598762276.db2.gz JCPPZKZLLXMGCC-BQBZGAKWSA-N -2 3 355.807 2.053 20 0 FEADHL CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821051020 599619845 /nfs/dbraw/zinc/61/98/45/599619845.db2.gz WVUONLMMQQBLIY-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821051020 599619846 /nfs/dbraw/zinc/61/98/46/599619846.db2.gz WVUONLMMQQBLIY-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL C[C@@H](CCc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736561155 599775355 /nfs/dbraw/zinc/77/53/55/599775355.db2.gz JCUDLLSZIBWYHY-JTQLQIEISA-N -2 3 367.379 2.006 20 0 FEADHL O=C([O-])CSCc1cccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000739871896 599810574 /nfs/dbraw/zinc/81/05/74/599810574.db2.gz RMLJUUOWMKTEAL-UHFFFAOYSA-N -2 3 370.386 2.140 20 0 FEADHL CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000675628874 599907563 /nfs/dbraw/zinc/90/75/63/599907563.db2.gz UANQBSNQJWALSH-UHFFFAOYSA-N -2 3 362.407 2.477 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])cc2)cc1 ZINC000738655380 600102314 /nfs/dbraw/zinc/10/23/14/600102314.db2.gz SHJNADLPCMMTPQ-HOTGVXAUSA-N -2 3 374.418 2.455 20 0 FEADHL Cc1cccc(C[C@@H](CNC(=O)c2cc3c(cc2[O-])OCO3)C(=O)[O-])c1 ZINC000738712119 600104477 /nfs/dbraw/zinc/10/44/77/600104477.db2.gz UHCBTRNYMYUENS-ZDUSSCGKSA-N -2 3 357.362 2.103 20 0 FEADHL C[C@]([N-]S(=O)(=O)c1cc(Br)ccc1F)(C(=O)[O-])C1CC1 ZINC000736665557 600240364 /nfs/dbraw/zinc/24/03/64/600240364.db2.gz WINIDNMCMPUHLB-GFCCVEGCSA-N -2 3 366.208 2.120 20 0 FEADHL O=C([O-])Nc1ccc(CC[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000740025689 600447235 /nfs/dbraw/zinc/44/72/35/600447235.db2.gz TUPWVOKUDOGTLB-UHFFFAOYSA-N -2 3 355.803 2.346 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(-c2nc(-c3cccc(C(=O)[O-])c3)no2)cc1 ZINC000832699325 600698095 /nfs/dbraw/zinc/69/80/95/600698095.db2.gz FMQISVGDOYWOQI-UHFFFAOYSA-N -2 3 359.363 2.473 20 0 FEADHL CC(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000826747186 601265816 /nfs/dbraw/zinc/26/58/16/601265816.db2.gz HWACMRSUZQIWPW-YMTOWFKASA-N -2 3 363.382 2.002 20 0 FEADHL CCc1cccc(C(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1[O-] ZINC000830260109 601291278 /nfs/dbraw/zinc/29/12/78/601291278.db2.gz RECFQFIBODINKH-ZDUSSCGKSA-N -2 3 374.418 2.250 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)ccc1F ZINC000032087778 601321466 /nfs/dbraw/zinc/32/14/66/601321466.db2.gz LJLZMLJDBLKLLU-UHFFFAOYSA-N -2 3 364.354 2.209 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cccnc2OC(C)C)c1-c1nnn[n-]1 ZINC000826303704 607534388 /nfs/dbraw/zinc/53/43/88/607534388.db2.gz ATDAROXNOOVIAV-UHFFFAOYSA-N -2 3 374.426 2.158 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cccnc2OC(C)C)c1-c1nn[n-]n1 ZINC000826303704 607534389 /nfs/dbraw/zinc/53/43/89/607534389.db2.gz ATDAROXNOOVIAV-UHFFFAOYSA-N -2 3 374.426 2.158 20 0 FEADHL O=C([O-])N1CCC(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000740495734 601988262 /nfs/dbraw/zinc/98/82/62/601988262.db2.gz DOXOGBYBYXPBSQ-UHFFFAOYSA-N -2 3 350.799 2.147 20 0 FEADHL CC(C)C[C@@H](NC(=O)[O-])c1noc(-c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000738814938 602407412 /nfs/dbraw/zinc/40/74/12/602407412.db2.gz DPVMTLBTQMVHOW-GFCCVEGCSA-N -2 3 368.415 2.463 20 0 FEADHL O=C([O-])NCC1([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCCC1 ZINC000740620836 602880923 /nfs/dbraw/zinc/88/09/23/602880923.db2.gz SXAVFBQBXMIXAR-UHFFFAOYSA-N -2 3 368.242 2.247 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825503423 603111590 /nfs/dbraw/zinc/11/15/90/603111590.db2.gz TUCUPWVMGMGEKS-RKDXNWHRSA-N -2 3 366.361 2.161 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)CNC(=O)[O-])sc1Br ZINC000830132222 603506137 /nfs/dbraw/zinc/50/61/37/603506137.db2.gz FPADOEURUDQDET-UHFFFAOYSA-N -2 3 371.278 2.144 20 0 FEADHL O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000832358663 603944615 /nfs/dbraw/zinc/94/46/15/603944615.db2.gz KQRQFFHBAFAEMH-KBPBESRZSA-N -2 3 358.402 2.412 20 0 FEADHL O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000832358663 603944620 /nfs/dbraw/zinc/94/46/20/603944620.db2.gz KQRQFFHBAFAEMH-KBPBESRZSA-N -2 3 358.402 2.412 20 0 FEADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccnc2Br)c1 ZINC000229984611 604403466 /nfs/dbraw/zinc/40/34/66/604403466.db2.gz ITSMLEDIBURCDK-UHFFFAOYSA-N -2 3 357.185 2.343 20 0 FEADHL O=C([O-])N[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000740597392 604432711 /nfs/dbraw/zinc/43/27/11/604432711.db2.gz YRFHWBGQFXNQNO-SECBINFHSA-N -2 3 360.395 2.499 20 0 FEADHL C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@H]1C(=O)[O-] ZINC000828361999 604539971 /nfs/dbraw/zinc/53/99/71/604539971.db2.gz NQSRDEOAGROSPL-WCBMZHEXSA-N -2 3 357.204 2.017 20 0 FEADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000833732621 604692568 /nfs/dbraw/zinc/69/25/68/604692568.db2.gz WMVRARGEJGDHGY-ZDUSSCGKSA-N -2 3 359.334 2.075 20 0 FEADHL C[C@@H]1CN(C(=O)[O-])CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000826026442 605189903 /nfs/dbraw/zinc/18/99/03/605189903.db2.gz LEEPALCFYWECBC-SECBINFHSA-N -2 3 372.219 2.048 20 0 FEADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC(C)(C)C ZINC000833482132 605210682 /nfs/dbraw/zinc/21/06/82/605210682.db2.gz CUNGRIPXECAYAE-NSHDSACASA-N -2 3 361.416 2.013 20 0 FEADHL O=C([O-])N1CCc2ccccc2[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000831757115 605687271 /nfs/dbraw/zinc/68/72/71/605687271.db2.gz JXMXCMOLTAAFHD-HNNXBMFYSA-N -2 3 364.365 2.083 20 0 FEADHL O=S(=O)([N-]C1CCCCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573217 606883778 /nfs/dbraw/zinc/88/37/78/606883778.db2.gz SJASFANLLWFKAW-UHFFFAOYSA-N -2 3 357.386 2.146 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC000826289252 608233935 /nfs/dbraw/zinc/23/39/35/608233935.db2.gz SCCWSZWHGRYGQN-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1c(F)cc([O-])cc1F ZINC000826466104 608449056 /nfs/dbraw/zinc/44/90/56/608449056.db2.gz OZDYBDSLLWYSJZ-UHFFFAOYSA-N -2 3 350.256 2.347 20 0 FEADHL O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1c(F)cc([O-])cc1F ZINC000826466104 608449058 /nfs/dbraw/zinc/44/90/58/608449058.db2.gz OZDYBDSLLWYSJZ-UHFFFAOYSA-N -2 3 350.256 2.347 20 0 FEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(F)(F)F ZINC000560417382 674585414 /nfs/dbraw/zinc/58/54/14/674585414.db2.gz OEEYUXPJZGDFQN-ZCFIWIBFSA-N -2 3 363.716 2.411 20 0 FEADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000564548236 675034663 /nfs/dbraw/zinc/03/46/63/675034663.db2.gz RZTVSYWZHORIKW-SFYZADRCSA-N -2 3 371.308 2.256 20 0 FEADHL O=C([N-][N-]S(=O)(=O)c1ccc(F)c2ncccc12)c1ccccc1F ZINC000024578878 670056070 /nfs/dbraw/zinc/05/60/70/670056070.db2.gz KISRBHUPENNZQB-UHFFFAOYSA-N -2 3 363.345 2.136 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)Oc1cccc(F)c1 ZINC000569599184 670584692 /nfs/dbraw/zinc/58/46/92/670584692.db2.gz NXXVSNSSPBNANZ-LBPRGKRZSA-N -2 3 357.359 2.253 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C)c1 ZINC000572501902 671010216 /nfs/dbraw/zinc/01/02/16/671010216.db2.gz CUQOJXRMGUCORD-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000574567289 671255169 /nfs/dbraw/zinc/25/51/69/671255169.db2.gz ZYHIRRYBTRBSII-WPRPVWTQSA-N -2 3 354.350 2.124 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000574570715 671255693 /nfs/dbraw/zinc/25/56/93/671255693.db2.gz MIGMXFQHJMJKCA-OCCSQVGLSA-N -2 3 371.798 2.440 20 0 FEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-] ZINC000581294872 671881935 /nfs/dbraw/zinc/88/19/35/671881935.db2.gz MKPAKWBRQQHBOG-DTWKUNHWSA-N -2 3 371.436 2.075 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(F)cc2F)s1 ZINC000681573847 672674996 /nfs/dbraw/zinc/67/49/96/672674996.db2.gz CEGALBDJLWZJCN-NSHDSACASA-N -2 3 362.379 2.224 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)c1 ZINC000539398027 673488443 /nfs/dbraw/zinc/48/84/43/673488443.db2.gz FPTNNWMGSXLFLS-UHFFFAOYSA-N -2 3 362.407 2.094 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])nn1[C@H](C)C1CC1 ZINC000543163615 673628891 /nfs/dbraw/zinc/62/88/91/673628891.db2.gz PXMKPKBSKHWDIV-SNVBAGLBSA-N -3 3 365.411 2.367 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccccc2)s1 ZINC000547614527 673874433 /nfs/dbraw/zinc/87/44/33/673874433.db2.gz NEFPMADCPTUNPH-LBPRGKRZSA-N -2 3 354.453 2.242 20 0 FEADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(=O)[O-])cc1 ZINC000547882535 673896715 /nfs/dbraw/zinc/89/67/15/673896715.db2.gz SPNDRBJGLDXFDV-UHFFFAOYSA-N -2 3 362.407 2.454 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(C)cc2)C(=O)[O-])s1 ZINC000548220878 673937096 /nfs/dbraw/zinc/93/70/96/673937096.db2.gz LNTRDUFRNDXGFB-CYBMUJFWSA-N -2 3 368.480 2.236 20 0 FEADHL CC(C)[C@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000548268633 673945931 /nfs/dbraw/zinc/94/59/31/673945931.db2.gz FPLYNBJLXGOXMV-LBPRGKRZSA-N -2 3 354.453 2.445 20 0 FEADHL CCCSC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000548565309 673973324 /nfs/dbraw/zinc/97/33/24/673973324.db2.gz MBLJPCLDUHFVCT-NSHDSACASA-N -2 3 353.412 2.148 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC000567804581 675324815 /nfs/dbraw/zinc/32/48/15/675324815.db2.gz OEVYQONJSGZITF-JTQLQIEISA-N -2 3 354.453 2.486 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000567809110 675325426 /nfs/dbraw/zinc/32/54/26/675325426.db2.gz IRFLSEUVBCOFML-DGCLKSJQSA-N -2 3 368.480 2.316 20 0 FEADHL CC(C)(C)C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000821245868 675422670 /nfs/dbraw/zinc/42/26/70/675422670.db2.gz BFUIXMGWUWJAAR-ZYHUDNBSSA-N -2 3 367.826 2.008 20 0 FEADHL CC(C)(C)C[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000821245865 675422795 /nfs/dbraw/zinc/42/27/95/675422795.db2.gz BFUIXMGWUWJAAR-JQWIXIFHSA-N -2 3 367.826 2.008 20 0 FEADHL CCOc1nc([N-]C(=O)c2nc(Br)sc2Cl)n[n-]1 ZINC000830403223 677037638 /nfs/dbraw/zinc/03/76/38/677037638.db2.gz CCGSFINCLGYNLK-UHFFFAOYSA-N -2 3 352.601 2.328 20 0 FEADHL Cn1c2cc([O-])c([N-]S(=O)(=O)CCC3CCCCC3)cc2n(C)c1=O ZINC000634792912 677082837 /nfs/dbraw/zinc/08/28/37/677082837.db2.gz NGAWZIOLNYJXRR-UHFFFAOYSA-N -2 3 367.471 2.295 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CSc3ccccc3O2)o1 ZINC000646057484 677278187 /nfs/dbraw/zinc/27/81/87/677278187.db2.gz BZHZQHNXTKGGDL-SNVBAGLBSA-N -2 3 369.420 2.200 20 0 FEADHL CO[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)CCC(=O)[O-])c1)C(C)C ZINC000647128588 677295775 /nfs/dbraw/zinc/29/57/75/677295775.db2.gz JMLZDRMVRSEPKH-OAHLLOKOSA-N -2 3 357.428 2.147 20 0 FEADHL COc1ccc(F)cc1S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000650419780 677372599 /nfs/dbraw/zinc/37/25/99/677372599.db2.gz VYXJWGDOEOMHDW-QMMMGPOBSA-N -2 3 373.324 2.156 20 0 FEADHL CCc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)on1 ZINC000761289902 680718151 /nfs/dbraw/zinc/71/81/51/680718151.db2.gz WXGHFWZQCMTDKE-UHFFFAOYSA-N -2 3 358.803 2.376 20 0 FEADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000654786089 677603370 /nfs/dbraw/zinc/60/33/70/677603370.db2.gz HNQNGZGKCWNPPH-RQJHMYQMSA-N -2 3 370.652 2.490 20 0 FEADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])s2)cs1 ZINC000656163509 677716710 /nfs/dbraw/zinc/71/67/10/677716710.db2.gz ZQQHOQWKKJVMOO-QMMMGPOBSA-N -2 3 364.445 2.271 20 0 FEADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(C)(C)C ZINC000761320521 680719438 /nfs/dbraw/zinc/71/94/38/680719438.db2.gz SEUAVXFEYBBOJL-LBPRGKRZSA-N -2 3 351.371 2.002 20 0 FEADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-])C1CC1 ZINC000656168115 677718724 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20 0 FEADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)[N-]OCc1ccc(F)cc1 ZINC000186448860 548136826 /nfs/dbraw/zinc/13/68/26/548136826.db2.gz NOZUQUNHQNHLNQ-UHFFFAOYSA-N -2 3 368.368 2.070 20 0 FEADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)[N-]OCc1ccc(F)cc1 ZINC000186460891 548138718 /nfs/dbraw/zinc/13/87/18/548138718.db2.gz HOQAJFLMEITSFO-UHFFFAOYSA-N -2 3 368.368 2.070 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cc(F)c(F)c(F)c1 ZINC000486888910 561359022 /nfs/dbraw/zinc/35/90/22/561359022.db2.gz UNMGDVCMRBNJBE-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cc(F)c(F)c(F)c1 ZINC000486888910 561359023 /nfs/dbraw/zinc/35/90/23/561359023.db2.gz UNMGDVCMRBNJBE-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000230095112 548757940 /nfs/dbraw/zinc/75/79/40/548757940.db2.gz YGDDNHNNHKMBNW-JTQLQIEISA-N -2 3 368.224 2.366 20 0 FEADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)C(=O)[O-] ZINC000262651830 549835163 /nfs/dbraw/zinc/83/51/63/549835163.db2.gz JPXGPGDFRXSBAM-LLVKDONJSA-N -2 3 363.819 2.048 20 0 FEADHL O=C([O-])c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000263576313 549910365 /nfs/dbraw/zinc/91/03/65/549910365.db2.gz QGHMWMZGGBLMEH-MRXNPFEDSA-N -2 3 368.389 2.011 20 0 FEADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274702250 550549881 /nfs/dbraw/zinc/54/98/81/550549881.db2.gz OCCOPEYYTHQTBX-LLVKDONJSA-N -2 3 352.815 2.087 20 0 FEADHL O=C([O-])c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000274906471 550563934 /nfs/dbraw/zinc/56/39/34/550563934.db2.gz JLBVYXOAUCMJMR-MRVPVSSYSA-N -2 3 353.318 2.182 20 0 FEADHL CCCCCC[C@](C)(NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)C(=O)[O-] ZINC000277571539 550686046 /nfs/dbraw/zinc/68/60/46/550686046.db2.gz FATJXBVMWZJTJC-INIZCTEOSA-N -2 3 374.459 2.040 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCC1 ZINC000282933004 551286631 /nfs/dbraw/zinc/28/66/31/551286631.db2.gz UFVWEIOXXIYQAW-UHFFFAOYSA-N -2 3 368.636 2.388 20 0 FEADHL CO[C@](C)(C[N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1)C1CC1 ZINC000292627833 552744184 /nfs/dbraw/zinc/74/41/84/552744184.db2.gz NXKDTHHRQDNKMD-CQSZACIVSA-N -2 3 365.810 2.271 20 0 FEADHL CCn1cc(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)nc1C ZINC000504247512 561654939 /nfs/dbraw/zinc/65/49/39/561654939.db2.gz UIIDXKHFDKLACH-UHFFFAOYSA-N -2 3 373.438 2.071 20 0 FEADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000314362611 553759057 /nfs/dbraw/zinc/75/90/57/553759057.db2.gz XCJIJDQAUBJPPK-JTQLQIEISA-N -2 3 350.780 2.026 20 0 FEADHL COc1ccc([C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C2CC2)cc1 ZINC000326121563 553779164 /nfs/dbraw/zinc/77/91/64/553779164.db2.gz GAAYHDQQICLINW-GFCCVEGCSA-N -2 3 368.436 2.280 20 0 FEADHL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccc1C(=O)[O-] ZINC000507917580 561745935 /nfs/dbraw/zinc/74/59/35/561745935.db2.gz KSWBALJOFVNBNP-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000508231679 561756102 /nfs/dbraw/zinc/75/61/02/561756102.db2.gz IZBRDOFVNYSGPR-UHFFFAOYSA-N -2 3 357.334 2.265 20 0 FEADHL C[C@]1(c2cccc(-c3noc(-c4cc(F)ccc4[O-])n3)c2)NC(=O)[N-]C1=O ZINC000350564351 554798044 /nfs/dbraw/zinc/79/80/44/554798044.db2.gz FJQRMWBVSUNLFT-GOSISDBHSA-N -2 3 368.324 2.303 20 0 FEADHL CS(=O)(=O)[N-]c1cncc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000350843193 554817533 /nfs/dbraw/zinc/81/75/33/554817533.db2.gz QNHZTBGFBTXENZ-UHFFFAOYSA-N -2 3 350.331 2.015 20 0 FEADHL CC(C)OCc1ccccc1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000515839717 562023500 /nfs/dbraw/zinc/02/35/00/562023500.db2.gz PHVILPVDJHHLSC-UHFFFAOYSA-N -2 3 370.452 2.245 20 0 FEADHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000519378285 562130616 /nfs/dbraw/zinc/13/06/16/562130616.db2.gz PZGJKFPAGXPLNH-APPZFPTMSA-N -2 3 367.757 2.249 20 0 FEADHL Cc1cnn(C)c1S(=O)(=O)[N-]c1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000375636014 558060327 /nfs/dbraw/zinc/06/03/27/558060327.db2.gz IORMJGLWOXEFIY-UHFFFAOYSA-N -2 3 359.411 2.000 20 0 FEADHL COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000521869674 562185289 /nfs/dbraw/zinc/18/52/89/562185289.db2.gz LJTVYSBNRHDEMQ-UHFFFAOYSA-N -2 3 353.396 2.243 20 0 FEADHL CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000389944998 558610033 /nfs/dbraw/zinc/61/00/33/558610033.db2.gz LMXRDGMRLHWDKD-UHFFFAOYSA-N -2 3 353.396 2.252 20 0 FEADHL CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000414338562 559157321 /nfs/dbraw/zinc/15/73/21/559157321.db2.gz JBIXCYGAFPWLJR-UHFFFAOYSA-N -2 3 356.375 2.170 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)cc1C(=O)[O-] ZINC000435128289 559916809 /nfs/dbraw/zinc/91/68/09/559916809.db2.gz CKBYQBAOBJUEFJ-CYBMUJFWSA-N -2 3 374.418 2.098 20 0 FEADHL CO[C@H](C)c1nc(=NC2CCN(C(=O)c3ccccc3[O-])CC2)s[n-]1 ZINC000436535606 559944665 /nfs/dbraw/zinc/94/46/65/559944665.db2.gz AVVACKQVYGHQGC-LLVKDONJSA-N -2 3 362.455 2.090 20 0 FEADHL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000436601471 559946424 /nfs/dbraw/zinc/94/64/24/559946424.db2.gz BXXSGYKDJRNGCR-UHFFFAOYSA-N -3 3 365.363 2.190 20 0 FEADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)c1 ZINC000436652573 559947784 /nfs/dbraw/zinc/94/77/84/559947784.db2.gz ONHQHZTXOALMND-UHFFFAOYSA-N -2 3 363.395 2.004 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1C(=O)[O-] ZINC000448076026 560177334 /nfs/dbraw/zinc/17/73/34/560177334.db2.gz DJDOKEIYIIOSMU-UHFFFAOYSA-N -3 3 355.343 2.429 20 0 FEADHL CCCC[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000450963119 560280253 /nfs/dbraw/zinc/28/02/53/560280253.db2.gz CVBRESDCRSZIGI-UHFFFAOYSA-N -2 3 352.453 2.056 20 0 FEADHL CCOc1ncc(C)cc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)OC)c1 ZINC000451073304 560285727 /nfs/dbraw/zinc/28/57/27/560285727.db2.gz QXTZYCNYFOJPIS-UHFFFAOYSA-N -2 3 366.395 2.082 20 0 FEADHL O=c1[n-]c([C@@H]2CCCN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)C2)n[nH]1 ZINC000459542343 560693016 /nfs/dbraw/zinc/69/30/16/560693016.db2.gz XXAKMGAMNQPAPM-CYBMUJFWSA-N -2 3 352.398 2.053 20 0 FEADHL COc1ccc(F)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)c1 ZINC000532290708 562473049 /nfs/dbraw/zinc/47/30/49/562473049.db2.gz AVCAIXVTQVSTQV-UHFFFAOYSA-N -2 3 373.333 2.238 20 0 FEADHL O=C([O-])[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(OC(F)F)cc1 ZINC000537403892 562590460 /nfs/dbraw/zinc/59/04/60/562590460.db2.gz QOBLINWROPTOOS-ZDUSSCGKSA-N -2 3 362.292 2.115 20 0 FEADHL COc1nc([N-]C(=O)c2nccnc2-c2nc3ccccc3s2)n[n-]1 ZINC000540916511 562596889 /nfs/dbraw/zinc/59/68/89/562596889.db2.gz YHBXGCZYVONUJB-UHFFFAOYSA-N -2 3 353.367 2.132 20 0 FEADHL O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738346293 598842877 /nfs/dbraw/zinc/84/28/77/598842877.db2.gz XSPMVDLEIDYPJE-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738346293 598842878 /nfs/dbraw/zinc/84/28/78/598842878.db2.gz XSPMVDLEIDYPJE-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL CSc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)nc1 ZINC000737189078 599029740 /nfs/dbraw/zinc/02/97/40/599029740.db2.gz CYXQJTPZDBVYHJ-UHFFFAOYSA-N -2 3 362.440 2.093 20 0 FEADHL CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819965856 599231829 /nfs/dbraw/zinc/23/18/29/599231829.db2.gz PQQKVHNKJGRPHL-UHFFFAOYSA-N -2 3 364.456 2.422 20 0 FEADHL CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819965856 599231831 /nfs/dbraw/zinc/23/18/31/599231831.db2.gz PQQKVHNKJGRPHL-UHFFFAOYSA-N -2 3 364.456 2.422 20 0 FEADHL CCc1cnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000821499362 599232619 /nfs/dbraw/zinc/23/26/19/599232619.db2.gz ITUCNKMPDRZUCK-UHFFFAOYSA-N -2 3 370.847 2.340 20 0 FEADHL CCc1cnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000821499362 599232620 /nfs/dbraw/zinc/23/26/20/599232620.db2.gz ITUCNKMPDRZUCK-UHFFFAOYSA-N -2 3 370.847 2.340 20 0 FEADHL O=C([O-])c1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000819683823 597313222 /nfs/dbraw/zinc/31/32/22/597313222.db2.gz VKQFSJKNHRTYSZ-INIZCTEOSA-N -2 3 369.373 2.438 20 0 FEADHL O=C([N-]OCc1ccccc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738136585 598580568 /nfs/dbraw/zinc/58/05/68/598580568.db2.gz HAMRFZUCCNIWEC-QGZVFWFLSA-N -2 3 364.409 2.084 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cc(Cl)cc(Cl)c1 ZINC000738346308 598638258 /nfs/dbraw/zinc/63/82/58/598638258.db2.gz YTBNHBYVBIEJDY-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821049529 599619839 /nfs/dbraw/zinc/61/98/39/599619839.db2.gz KSZWBYOBTFNKIZ-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821049529 599619840 /nfs/dbraw/zinc/61/98/40/599619840.db2.gz KSZWBYOBTFNKIZ-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OC(F)(F)F)o1 ZINC000323855723 599767585 /nfs/dbraw/zinc/76/75/85/599767585.db2.gz DNCAPUJUVFCDNA-UHFFFAOYSA-N -2 3 365.285 2.355 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1cc(F)ccc1F ZINC000681567347 599814460 /nfs/dbraw/zinc/81/44/60/599814460.db2.gz WVCZAFNLFINTNL-CYBMUJFWSA-N -2 3 363.288 2.347 20 0 FEADHL O=C([O-])CCN(Cc1ccccc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000739724156 600361396 /nfs/dbraw/zinc/36/13/96/600361396.db2.gz SGUDTJLEVKZVSH-UHFFFAOYSA-N -2 3 351.362 2.453 20 0 FEADHL O=C([O-])Nc1cc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)ccc1F ZINC000740007233 600510393 /nfs/dbraw/zinc/51/03/93/600510393.db2.gz UHANOWJEIVYNDJ-UHFFFAOYSA-N -2 3 365.292 2.015 20 0 FEADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000794915148 600764941 /nfs/dbraw/zinc/76/49/41/600764941.db2.gz QRRSJIUMIJITKK-MRVPVSSYSA-N -2 3 355.243 2.414 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)ccc1C(=O)[O-] ZINC000556792112 600893147 /nfs/dbraw/zinc/89/31/47/600893147.db2.gz QABXHUKSFVHQNJ-UHFFFAOYSA-N -2 3 374.418 2.403 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)c1F ZINC000324657172 601232133 /nfs/dbraw/zinc/23/21/33/601232133.db2.gz BSCPCJLZDAKALO-JQWIXIFHSA-N -2 3 353.346 2.497 20 0 FEADHL CC(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000826747185 601265852 /nfs/dbraw/zinc/26/58/52/601265852.db2.gz HWACMRSUZQIWPW-XPTSAGLGSA-N -2 3 363.382 2.002 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)o1 ZINC000580427770 601269077 /nfs/dbraw/zinc/26/90/77/601269077.db2.gz OQBQDNZIRKTAIP-CYBMUJFWSA-N -2 3 353.421 2.287 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1CO ZINC000327046630 601327235 /nfs/dbraw/zinc/32/72/35/601327235.db2.gz WLLSVUJKCJKWEZ-UHFFFAOYSA-N -2 3 369.370 2.216 20 0 FEADHL Cc1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc(C)c1OCC(=O)[O-] ZINC000832866241 601678847 /nfs/dbraw/zinc/67/88/47/601678847.db2.gz BMFNDBPOIXWMSH-UHFFFAOYSA-N -2 3 367.365 2.199 20 0 FEADHL O=C([O-])N1CCC(N(C(=O)c2cc(=O)c3ccccc3[n-]2)C2CC2)CC1 ZINC000740500263 601854250 /nfs/dbraw/zinc/85/42/50/601854250.db2.gz OCOALYXWKMJCEF-UHFFFAOYSA-N -2 3 355.394 2.275 20 0 FEADHL O=C([O-])N1[C@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)C[C@@H]2CCCC[C@@H]21 ZINC000740477987 601893206 /nfs/dbraw/zinc/89/32/06/601893206.db2.gz LTXVKDWJAVACHG-DRZSPHRISA-N -2 3 356.386 2.116 20 0 FEADHL O=C([O-])N1CCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000740519796 602593279 /nfs/dbraw/zinc/59/32/79/602593279.db2.gz JBHIZWMGHNDWBO-MRVPVSSYSA-N -2 3 353.227 2.414 20 0 FEADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)NC(=O)[O-] ZINC000738795276 602788794 /nfs/dbraw/zinc/78/87/94/602788794.db2.gz VRPAHHKQSBBCGO-SSDOTTSWSA-N -2 3 371.278 2.081 20 0 FEADHL O=C([O-])Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)c([O-])c1 ZINC000740698292 602843850 /nfs/dbraw/zinc/84/38/50/602843850.db2.gz DJFRONWQJITYMM-UHFFFAOYSA-N -2 3 369.421 2.483 20 0 FEADHL C[C@]([N-]S(=O)(=O)c1cc(F)ccc1Br)(C(=O)[O-])C1CC1 ZINC000827756150 604479744 /nfs/dbraw/zinc/47/97/44/604479744.db2.gz WYFYSPXJCGWFFQ-GFCCVEGCSA-N -2 3 366.208 2.120 20 0 FEADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000833732340 604527882 /nfs/dbraw/zinc/52/78/82/604527882.db2.gz MPRQEUUFADARAL-INIZCTEOSA-N -2 3 372.377 2.305 20 0 FEADHL COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C(=O)[O-])c(F)c3)nc21 ZINC000833716822 605059211 /nfs/dbraw/zinc/05/92/11/605059211.db2.gz REGMPYHNNBPTBP-UHFFFAOYSA-N -2 3 357.297 2.439 20 0 FEADHL CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833689603 605167721 /nfs/dbraw/zinc/16/77/21/605167721.db2.gz KEGLXNKMYKKXRS-UHFFFAOYSA-N -2 3 352.387 2.386 20 0 FEADHL C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833594408 605414167 /nfs/dbraw/zinc/41/41/67/605414167.db2.gz CDYFEBRJCAGVOC-VHSXEESVSA-N -2 3 363.382 2.147 20 0 FEADHL O=C([O-])N1CC[C@@H](C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000834078501 605423839 /nfs/dbraw/zinc/42/38/39/605423839.db2.gz QMKZSXHZJYWUNH-NSHDSACASA-N -2 3 367.452 2.088 20 0 FEADHL O=C([O-])NCCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000834245610 606081428 /nfs/dbraw/zinc/08/14/28/606081428.db2.gz NXSZOTNJHGOZPW-UHFFFAOYSA-N -2 3 354.359 2.273 20 0 FEADHL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822327401 606215172 /nfs/dbraw/zinc/21/51/72/606215172.db2.gz HRHMWQYWZOHWJG-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822327401 606215173 /nfs/dbraw/zinc/21/51/73/606215173.db2.gz HRHMWQYWZOHWJG-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C=Cc2ccccc2)n1 ZINC000819972041 606620931 /nfs/dbraw/zinc/62/09/31/606620931.db2.gz YLESQAVYPYYZLJ-KTKRTIGZSA-N -2 3 373.442 2.231 20 0 FEADHL O=C(c1ccc([O-])cc1)C1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826472989 607967017 /nfs/dbraw/zinc/96/70/17/607967017.db2.gz FYERKWZDDYNRQI-UHFFFAOYSA-N -2 3 350.382 2.067 20 0 FEADHL CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1C ZINC000824024505 607982512 /nfs/dbraw/zinc/98/25/12/607982512.db2.gz HSTUINZZGLMBJE-UHFFFAOYSA-N -2 3 371.422 2.487 20 0 FEADHL CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1C ZINC000824024505 607982513 /nfs/dbraw/zinc/98/25/13/607982513.db2.gz HSTUINZZGLMBJE-UHFFFAOYSA-N -2 3 371.422 2.487 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1Cl ZINC000826289155 608307132 /nfs/dbraw/zinc/30/71/32/608307132.db2.gz MPOPRRHEBVGKNP-UHFFFAOYSA-N -2 3 374.213 2.006 20 0 FEADHL Cc1c([N-]S(=O)(=O)c2cncc(Cl)c2)cccc1-c1nn[n-]n1 ZINC000826243166 608528293 /nfs/dbraw/zinc/52/82/93/608528293.db2.gz XJDRSAWXIGGJOG-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826209356 608528560 /nfs/dbraw/zinc/52/85/60/608528560.db2.gz YPSONEQDIFFTIS-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826209356 608528561 /nfs/dbraw/zinc/52/85/61/608528561.db2.gz YPSONEQDIFFTIS-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492809 609531228 /nfs/dbraw/zinc/53/12/28/609531228.db2.gz FLRLNCODXWWGSO-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492809 609531230 /nfs/dbraw/zinc/53/12/30/609531230.db2.gz FLRLNCODXWWGSO-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1 ZINC000562227636 674730657 /nfs/dbraw/zinc/73/06/57/674730657.db2.gz GHWXUZXCFNTKIL-UHFFFAOYSA-N -2 3 363.391 2.210 20 0 FEADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000563645828 674922156 /nfs/dbraw/zinc/92/21/56/674922156.db2.gz MTVXBJWXHVWNNV-VIFPVBQESA-N -2 3 368.224 2.366 20 0 FEADHL O=C(CCC1CCCCC1)[N-][N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000066588593 670444395 /nfs/dbraw/zinc/44/43/95/670444395.db2.gz ODDAQZWKUHFBMO-UHFFFAOYSA-N -2 3 355.416 2.265 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)Oc1cccc(F)c1 ZINC000569599183 670584698 /nfs/dbraw/zinc/58/46/98/670584698.db2.gz NXXVSNSSPBNANZ-GFCCVEGCSA-N -2 3 357.359 2.253 20 0 FEADHL Cc1ccc2cccc(S(=O)(=O)[N-][N-]C(=O)c3ccccc3F)c2n1 ZINC000084920035 670677299 /nfs/dbraw/zinc/67/72/99/670677299.db2.gz BDUGFUXFIURIPH-UHFFFAOYSA-N -2 3 359.382 2.306 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])Oc1cccc(F)c1 ZINC000573320815 671108825 /nfs/dbraw/zinc/10/88/25/671108825.db2.gz MFLSMEVICRTMNE-JTQLQIEISA-N -2 3 374.415 2.116 20 0 FEADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000574951636 671288160 /nfs/dbraw/zinc/28/81/60/671288160.db2.gz WTXPMLFWCQPJAM-JQWIXIFHSA-N -2 3 352.334 2.022 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)o1 ZINC000566173205 675189678 /nfs/dbraw/zinc/18/96/78/675189678.db2.gz HXRGDJVZIJFHRY-SMDDNHRTSA-N -2 3 371.798 2.440 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000575745081 671317485 /nfs/dbraw/zinc/31/74/85/671317485.db2.gz GNIQGCUVTSZNIS-DOMZBBRYSA-N -2 3 365.407 2.424 20 0 FEADHL C[C@]1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000576940070 671405843 /nfs/dbraw/zinc/40/58/43/671405843.db2.gz BNXNMLVFSRYOLK-MFKMUULPSA-N -2 3 366.361 2.412 20 0 FEADHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000579474757 671738902 /nfs/dbraw/zinc/73/89/02/671738902.db2.gz LOMHWJFDOWTXIL-JTQLQIEISA-N -2 3 354.350 2.268 20 0 FEADHL COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000579947682 671772222 /nfs/dbraw/zinc/77/22/22/671772222.db2.gz ZTKCQSXQDROUEC-SNVBAGLBSA-N -2 3 370.452 2.007 20 0 FEADHL COC1(C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C(=O)[O-])CCC1 ZINC000650432193 677373971 /nfs/dbraw/zinc/37/39/71/677373971.db2.gz PWFZZERVCSPNLK-LLVKDONJSA-N -2 3 365.810 2.170 20 0 FEADHL CCc1noc(CC)c1C[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000582000951 671957414 /nfs/dbraw/zinc/95/74/14/671957414.db2.gz NEIHQNXZBZEEBY-UHFFFAOYSA-N -2 3 356.400 2.186 20 0 FEADHL O=C(Nc1cc(I)ccc1[O-])c1ncccc1[O-] ZINC000610490540 675975435 /nfs/dbraw/zinc/97/54/35/675975435.db2.gz RCXBADARDFDXJR-UHFFFAOYSA-N -2 3 356.119 2.350 20 0 FEADHL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1[O-] ZINC000586750574 672239871 /nfs/dbraw/zinc/23/98/71/672239871.db2.gz DLCOETJYTOSYSV-JTQLQIEISA-N -2 3 363.819 2.143 20 0 FEADHL Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cc12 ZINC000182492327 672446569 /nfs/dbraw/zinc/44/65/69/672446569.db2.gz QYYQYSQVVJMZQE-UHFFFAOYSA-N -2 3 352.803 2.437 20 0 FEADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-][N-]C(=O)NCc1ccccc1 ZINC000189124611 672607815 /nfs/dbraw/zinc/60/78/15/672607815.db2.gz DQBDILAGKWXFDT-UHFFFAOYSA-N -2 3 353.831 2.341 20 0 FEADHL O=C([O-])Cc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000681570972 672674140 /nfs/dbraw/zinc/67/41/40/672674140.db2.gz GMRNYTLVXRSIFY-UHFFFAOYSA-N -2 3 355.362 2.113 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(=O)[O-])c(F)cc1F ZINC000681577680 672676710 /nfs/dbraw/zinc/67/67/10/672676710.db2.gz WVLQQIJCKWZRRG-ZDUSSCGKSA-N -2 3 369.389 2.495 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-])sc1Cl ZINC000592449595 672804621 /nfs/dbraw/zinc/80/46/21/672804621.db2.gz KLZRDQJNFFBHHV-MRVPVSSYSA-N -2 3 357.906 2.442 20 0 FEADHL COc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-] ZINC000319039549 673036113 /nfs/dbraw/zinc/03/61/13/673036113.db2.gz CMOLTONIJMETSV-SSDOTTSWSA-N -2 3 361.725 2.033 20 0 FEADHL COc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000685902758 673053584 /nfs/dbraw/zinc/05/35/84/673053584.db2.gz PEYZFQBTRKWDDM-UHFFFAOYSA-N -3 3 359.306 2.178 20 0 FEADHL O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000703517224 673061537 /nfs/dbraw/zinc/06/15/37/673061537.db2.gz IVRZSBDVTNQZRU-KNVOCYPGSA-N -2 3 368.636 2.244 20 0 FEADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000797427757 683249585 /nfs/dbraw/zinc/24/95/85/683249585.db2.gz CFUNEVVXCZAPNO-ZETCQYMHSA-N -2 3 370.652 2.492 20 0 FEADHL O=C([O-])C1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCC1 ZINC000538465672 673441822 /nfs/dbraw/zinc/44/18/22/673441822.db2.gz LNLZOWNOIQTSQQ-UHFFFAOYSA-N -2 3 365.183 2.028 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000547557087 673863114 /nfs/dbraw/zinc/86/31/14/673863114.db2.gz IOFZPCCBGMRVRC-GFCCVEGCSA-N -2 3 372.830 2.167 20 0 FEADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000547567377 673864993 /nfs/dbraw/zinc/86/49/93/673864993.db2.gz FOYFRCHYJUAFRR-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2F)s1 ZINC000547598541 673871258 /nfs/dbraw/zinc/87/12/58/673871258.db2.gz YYJDSGNPIWORFX-LLVKDONJSA-N -2 3 358.416 2.339 20 0 FEADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c(C(=O)[O-])c1 ZINC000548200215 673933359 /nfs/dbraw/zinc/93/33/59/673933359.db2.gz HMOIJTVGVPJBSB-UHFFFAOYSA-N -2 3 362.407 2.282 20 0 FEADHL Nc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])c1 ZINC000548207074 673934754 /nfs/dbraw/zinc/93/47/54/673934754.db2.gz IXNRBNUKBCWUOG-UHFFFAOYSA-N -2 3 361.423 2.368 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC1(Sc2ccccc2)CC1 ZINC000567585095 675304190 /nfs/dbraw/zinc/30/41/90/675304190.db2.gz NZHDEIUBTDYVPB-UHFFFAOYSA-N -2 3 370.477 2.445 20 0 FEADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])cc1Cl ZINC000656162698 677716280 /nfs/dbraw/zinc/71/62/80/677716280.db2.gz GTACTNHQJGYUSO-MRVPVSSYSA-N -2 3 360.190 2.093 20 0 FEADHL CCCc1cnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000825348774 675648075 /nfs/dbraw/zinc/64/80/75/675648075.db2.gz ZXLDFFUEEGUURV-UHFFFAOYSA-N -2 3 350.429 2.077 20 0 FEADHL CCCc1cnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000825348774 675648076 /nfs/dbraw/zinc/64/80/76/675648076.db2.gz ZXLDFFUEEGUURV-UHFFFAOYSA-N -2 3 350.429 2.077 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1-c1nn[n-]n1)c1cccc(Cl)c1 ZINC000826493153 675689570 /nfs/dbraw/zinc/68/95/70/675689570.db2.gz VYRWCHRXRGLOIT-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1ccccc1OC(F)F ZINC000826493088 675689585 /nfs/dbraw/zinc/68/95/85/675689585.db2.gz SQAQFGLKJMVPBW-UHFFFAOYSA-N -2 3 367.337 2.269 20 0 FEADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)Oc1ccccc1 ZINC000761263110 680717192 /nfs/dbraw/zinc/71/71/92/680717192.db2.gz CHPGEZMPYOBLDK-JTQLQIEISA-N -2 3 371.361 2.409 20 0 FEADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)c1ccccc1 ZINC000761272020 680717564 /nfs/dbraw/zinc/71/75/64/680717564.db2.gz GNOWQBBUYUAREF-AWEZNQCLSA-N -2 3 371.361 2.329 20 0 FEADHL O=C([O-])c1sccc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000656181156 677725119 /nfs/dbraw/zinc/72/51/19/677725119.db2.gz PUOYFVPNQNUKAV-APPZFPTMSA-N -2 3 373.374 2.225 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)no2)oc1C(=O)[O-] ZINC000663423633 678735553 /nfs/dbraw/zinc/73/55/53/678735553.db2.gz CXSQHLINGDCHRD-MRVPVSSYSA-N -2 3 357.388 2.006 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c(F)cc1F ZINC000840898871 680851210 /nfs/dbraw/zinc/85/12/10/680851210.db2.gz XMDUZJXPPMEHNK-UHFFFAOYSA-N -2 3 355.309 2.377 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)cc(C(=O)[O-])c1C ZINC000675438275 679549204 /nfs/dbraw/zinc/54/92/04/679549204.db2.gz ONOHQYPVJIGVHK-UHFFFAOYSA-N -2 3 366.370 2.040 20 0 FEADHL Cc1ccc(C[C@H]([N-]S(=O)(=O)c2cccnc2Cl)C(=O)[O-])cc1C ZINC000837293215 680582911 /nfs/dbraw/zinc/58/29/11/680582911.db2.gz FEJADFJDNRCMDN-ZDUSSCGKSA-N -2 3 368.842 2.326 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(F)cc1F ZINC000768049868 680936132 /nfs/dbraw/zinc/93/61/32/680936132.db2.gz ZXXMDDCAJMEHSO-UHFFFAOYSA-N -2 3 361.297 2.397 20 0 FEADHL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000844653086 681071297 /nfs/dbraw/zinc/07/12/97/681071297.db2.gz QTXYESHUMQLIQL-CYBMUJFWSA-N -2 3 357.428 2.475 20 0 FEADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)(CC(=O)[O-])C1 ZINC000844790515 681082601 /nfs/dbraw/zinc/08/26/01/681082601.db2.gz YRBWLVLDQILWFH-OTYXRUKQSA-N -2 3 364.826 2.434 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000776540045 681401341 /nfs/dbraw/zinc/40/13/41/681401341.db2.gz YYQPQTURWFRTDS-SSDOTTSWSA-N -2 3 356.263 2.208 20 0 FEADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776634016 681420525 /nfs/dbraw/zinc/42/05/25/681420525.db2.gz GUTKTVOXHPORBC-UFBFGSQYSA-N -2 3 353.227 2.310 20 0 FEADHL O=C([O-])[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000780688053 681860572 /nfs/dbraw/zinc/86/05/72/681860572.db2.gz WHIVPAVTAVSPES-NSHDSACASA-N -2 3 357.204 2.303 20 0 FEADHL O=C(Nc1ncccc1[O-])c1cccc([N-]S(=O)(=O)C(F)(F)F)c1 ZINC000782851937 682087725 /nfs/dbraw/zinc/08/77/25/682087725.db2.gz XMXZTASZFPFGMC-UHFFFAOYSA-N -2 3 361.301 2.301 20 0 FEADHL O=C([O-])/C=C\C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000790588163 682686586 /nfs/dbraw/zinc/68/65/86/682686586.db2.gz BZEFDIXQDMQYKL-DJWKRKHSSA-N -2 3 354.609 2.022 20 0 FEADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)[C@H]2C[C@H]21 ZINC000926598726 683152180 /nfs/dbraw/zinc/15/21/80/683152180.db2.gz AKUACOABVGKIID-JIOCBJNQSA-N -2 3 350.223 2.381 20 0 FEADHL O=C([N-]CC1CN(Cc2cccc([O-])c2Br)C1)C(F)(F)F ZINC000877776443 686453609 /nfs/dbraw/zinc/45/36/09/686453609.db2.gz KNNDDZGEXBVWOA-UHFFFAOYSA-N -2 3 367.165 2.265 20 0 FEADHL O=C([O-])C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000899945635 690446467 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CCC(CC)S(=O)(=O)[N-]c1c(C(=O)[O-])cc(OC)c(OC)c1OC ZINC000265559196 329138628 /nfs/dbraw/zinc/13/86/28/329138628.db2.gz XWVDZWKLESILMA-UHFFFAOYSA-N -2 3 361.416 2.341 20 0 FEADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000274989132 329999702 /nfs/dbraw/zinc/99/97/02/329999702.db2.gz KPANMODGSBAUDX-VIFPVBQESA-N -2 3 354.211 2.094 20 0 FEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cccc(F)c2F)nc1C1CC1 ZINC000275046777 330005039 /nfs/dbraw/zinc/00/50/39/330005039.db2.gz WJFMNWWFBPJSTG-UHFFFAOYSA-N -2 3 368.361 2.414 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000275087150 330009151 /nfs/dbraw/zinc/00/91/51/330009151.db2.gz ZUPADKRXADNRMJ-LBPRGKRZSA-N -2 3 360.338 2.064 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)c(Cl)c1Cl ZINC000297125194 330194138 /nfs/dbraw/zinc/19/41/38/330194138.db2.gz GWNNVATVKISHJI-UHFFFAOYSA-N -2 3 354.211 2.145 20 0 FEADHL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1C ZINC000480219068 561205244 /nfs/dbraw/zinc/20/52/44/561205244.db2.gz PIAMQUSHQMSKJP-VIFPVBQESA-N -3 3 353.400 2.367 20 0 FEADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1OC ZINC000481966047 561246441 /nfs/dbraw/zinc/24/64/41/561246441.db2.gz OLZKJTYVBJHNAD-UHFFFAOYSA-N -2 3 369.370 2.271 20 0 FEADHL Cc1cccc2c(=O)c(C(=O)Nc3ccc(-c4nc(=O)o[n-]4)cc3)c[n-]c12 ZINC000482968374 561264099 /nfs/dbraw/zinc/26/40/99/561264099.db2.gz YLNUWLZSOYMOIS-UHFFFAOYSA-N -2 3 362.345 2.432 20 0 FEADHL CCc1n[n-]c([N-]C(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)n1 ZINC000182282257 547466916 /nfs/dbraw/zinc/46/69/16/547466916.db2.gz WYZWQXJIWSCDHB-UHFFFAOYSA-N -2 3 371.788 2.315 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(F)c2)c(F)c1 ZINC000185003241 547915776 /nfs/dbraw/zinc/91/57/76/547915776.db2.gz IYNNWWJOKAVRPS-OCCSQVGLSA-N -2 3 353.346 2.497 20 0 FEADHL Cc1cnc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)o1 ZINC000185038052 547921747 /nfs/dbraw/zinc/92/17/47/547921747.db2.gz QALNMXZLYTWZHH-UHFFFAOYSA-N -2 3 364.301 2.179 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)cs1 ZINC000489024206 561401800 /nfs/dbraw/zinc/40/18/00/561401800.db2.gz SCYAORZWEBNFES-UHFFFAOYSA-N -2 3 370.383 2.271 20 0 FEADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000263108615 549878708 /nfs/dbraw/zinc/87/87/08/549878708.db2.gz KXKAGMTUFBGBFP-VIFPVBQESA-N -2 3 355.334 2.205 20 0 FEADHL O=C([O-])[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000263231154 549887460 /nfs/dbraw/zinc/88/74/60/549887460.db2.gz MKFZSRVIWITNET-SNVBAGLBSA-N -2 3 357.204 2.161 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)[C@H]1CCOC1 ZINC000281002960 551053731 /nfs/dbraw/zinc/05/37/31/551053731.db2.gz LYFHDCNDEOEOFG-YUMQZZPRSA-N -2 3 368.238 2.395 20 0 FEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(OCC4CC4)cc3)ccc21 ZINC000497961706 561512440 /nfs/dbraw/zinc/51/24/40/561512440.db2.gz WTCMFYPJWJEKMY-UHFFFAOYSA-N -2 3 372.402 2.160 20 0 FEADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)nc1)C(F)(F)F ZINC000285307055 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Cc1nc(C)c(CCC(=O)Nc2cccc3c2CCN3C(=O)[O-])c(=O)[n-]1 ZINC000830715686 603942118 /nfs/dbraw/zinc/94/21/18/603942118.db2.gz IMPUADACDWUOFJ-UHFFFAOYSA-N -2 3 356.382 2.411 20 0 FEADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C12CCCCC2 ZINC000581546481 605043588 /nfs/dbraw/zinc/04/35/88/605043588.db2.gz QWOJTRLHEKWADW-VXGBXAGGSA-N -2 3 374.484 2.248 20 0 FEADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C12CCCCC2 ZINC000581546479 605043603 /nfs/dbraw/zinc/04/36/03/605043603.db2.gz QWOJTRLHEKWADW-NWDGAFQWSA-N -2 3 374.484 2.248 20 0 FEADHL COC(=O)c1cccc2[n-]c(NC(=O)Cc3cccc(C(=O)[O-])c3)nc21 ZINC000833716454 605061647 /nfs/dbraw/zinc/06/16/47/605061647.db2.gz HMLDRFDXEISFIE-UHFFFAOYSA-N -2 3 353.334 2.229 20 0 FEADHL O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2C(=O)c1nnc2ccccc2c1[O-] ZINC000832235144 605146874 /nfs/dbraw/zinc/14/68/74/605146874.db2.gz XXDYYHJYDCAJMH-YOGCLGLASA-N -2 3 356.382 2.129 20 0 FEADHL CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCO1 ZINC000564653288 605300117 /nfs/dbraw/zinc/30/01/17/605300117.db2.gz BQIODYWOOLWRSD-GHMZBOCLSA-N -2 3 362.473 2.103 20 0 FEADHL O=C([O-])N[C@H]1CCC[C@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000832338292 605881665 /nfs/dbraw/zinc/88/16/65/605881665.db2.gz GUQBMKJZYZRURO-KOLCDFICSA-N -2 3 357.204 2.207 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccccc1Cl ZINC000823583489 606337871 /nfs/dbraw/zinc/33/78/71/606337871.db2.gz RIUZXTKWVQVZRM-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccc(Cl)s1 ZINC000823582973 606338235 /nfs/dbraw/zinc/33/82/35/606338235.db2.gz FLBFENLJTOEYRY-UHFFFAOYSA-N -2 3 357.804 2.088 20 0 FEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000822223727 606628416 /nfs/dbraw/zinc/62/84/16/606628416.db2.gz IENLGEQXFINRQT-UHFFFAOYSA-N -2 3 362.415 2.261 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000822223727 606628418 /nfs/dbraw/zinc/62/84/18/606628418.db2.gz IENLGEQXFINRQT-UHFFFAOYSA-N -2 3 362.415 2.261 20 0 FEADHL CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820870427 606893518 /nfs/dbraw/zinc/89/35/18/606893518.db2.gz SIRLJKTVCCAFSL-IUCAKERBSA-N -2 3 359.402 2.248 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2cn[nH]c2)c1)c1ccccc1-c1nnn[n-]1 ZINC000826492797 608054607 /nfs/dbraw/zinc/05/46/07/608054607.db2.gz DOJLSYTZAOVNNP-UHFFFAOYSA-N -2 3 367.394 2.058 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2cn[nH]c2)c1)c1ccccc1-c1nn[n-]n1 ZINC000826492797 608054608 /nfs/dbraw/zinc/05/46/08/608054608.db2.gz DOJLSYTZAOVNNP-UHFFFAOYSA-N -2 3 367.394 2.058 20 0 FEADHL CC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000824024401 609350413 /nfs/dbraw/zinc/35/04/13/609350413.db2.gz CPWYKNDDLNRRSX-NSHDSACASA-N -2 3 367.365 2.181 20 0 FEADHL CC(=O)c1ccc([O-])c(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000824024401 609350415 /nfs/dbraw/zinc/35/04/15/609350415.db2.gz CPWYKNDDLNRRSX-NSHDSACASA-N -2 3 367.365 2.181 20 0 FEADHL C[C@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000563075509 674845633 /nfs/dbraw/zinc/84/56/33/674845633.db2.gz IJLNJMVDMYZFHU-LLVKDONJSA-N -2 3 351.428 2.143 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)c(Br)c1 ZINC000029048569 670094890 /nfs/dbraw/zinc/09/48/90/670094890.db2.gz YQWZCQULJHQNKN-UHFFFAOYSA-N -2 3 361.261 2.257 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2(c3ccccc3)CCOCC2)c1 ZINC000565301523 675109792 /nfs/dbraw/zinc/10/97/92/675109792.db2.gz WXDUBACYUNPWEC-UHFFFAOYSA-N -2 3 365.407 2.005 20 0 FEADHL O=C([N-][N-]S(=O)(=O)c1csc2ccc(Cl)cc21)NCC1CC1 ZINC000080308940 670621973 /nfs/dbraw/zinc/62/19/73/670621973.db2.gz JTJWJBXSFSWTSW-UHFFFAOYSA-N -2 3 359.860 2.457 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccc(C(=O)[O-])cc3)C2)o1 ZINC000570636271 670744692 /nfs/dbraw/zinc/74/46/92/670744692.db2.gz JISDVQDEQITFGS-AWEZNQCLSA-N -2 3 364.423 2.234 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000575865734 671327245 /nfs/dbraw/zinc/32/72/45/671327245.db2.gz QUUUFOSDVZQAJY-ZFWWWQNUSA-N -2 3 369.370 2.316 20 0 FEADHL COCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)c1ccc(C)o1 ZINC000576462129 671370466 /nfs/dbraw/zinc/37/04/66/671370466.db2.gz VTKKBVOCHFOXQF-LLVKDONJSA-N -2 3 357.384 2.244 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c(F)c1 ZINC000578532928 671672381 /nfs/dbraw/zinc/67/23/81/671672381.db2.gz DWEVQJOPVGJQDI-MRVPVSSYSA-N -2 3 373.324 2.156 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000579349947 671729564 /nfs/dbraw/zinc/72/95/64/671729564.db2.gz TXUHYHITYOGATD-YPMHNXCESA-N -2 3 368.436 2.040 20 0 FEADHL Cc1ccc(CSCC[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000579829433 671763507 /nfs/dbraw/zinc/76/35/07/671763507.db2.gz JMDQWESUFHMLHH-UHFFFAOYSA-N -2 3 372.493 2.361 20 0 FEADHL CC(C)Oc1ccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000579953656 671772901 /nfs/dbraw/zinc/77/29/01/671772901.db2.gz ATMBNGMGUTWZBJ-UHFFFAOYSA-N -2 3 356.425 2.107 20 0 FEADHL COc1ccc2c(c1)CCC[C@H]2C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000580427527 671806462 /nfs/dbraw/zinc/80/64/62/671806462.db2.gz BEICPZAIPQPPGV-LBPRGKRZSA-N -2 3 365.407 2.385 20 0 FEADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCC1 ZINC000581404541 671893062 /nfs/dbraw/zinc/89/30/62/671893062.db2.gz WPVBWKZJRRSVEX-UHFFFAOYSA-N -2 3 352.334 2.024 20 0 FEADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)CC1CCC(C(=O)[O-])CC1 ZINC000582065167 671964649 /nfs/dbraw/zinc/96/46/49/671964649.db2.gz CDTRPGCUSMCXII-UHFFFAOYSA-N -2 3 354.428 2.278 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])CCC1 ZINC000583667415 672115543 /nfs/dbraw/zinc/11/55/43/672115543.db2.gz CWPKKRUSXCJOPF-UHFFFAOYSA-N -2 3 361.803 2.123 20 0 FEADHL CCSCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000302460966 673016078 /nfs/dbraw/zinc/01/60/78/673016078.db2.gz WJJOZGZYFVKJGE-UHFFFAOYSA-N -2 3 372.262 2.162 20 0 FEADHL O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1cc([O-])cc(Br)c1 ZINC000700743789 673056255 /nfs/dbraw/zinc/05/62/55/673056255.db2.gz TYCZZGXQRONSFP-MRVPVSSYSA-N -2 3 356.094 2.290 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)c1 ZINC000547246883 673837638 /nfs/dbraw/zinc/83/76/38/673837638.db2.gz UCZOFGRPOOPYSE-JOCHJYFZSA-N -2 3 355.437 2.080 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)c1 ZINC000547246884 673837812 /nfs/dbraw/zinc/83/78/12/673837812.db2.gz UCZOFGRPOOPYSE-QFIPXVFZSA-N -2 3 355.437 2.080 20 0 FEADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cs1)C(=O)[O-] ZINC000547613115 673874143 /nfs/dbraw/zinc/87/41/43/673874143.db2.gz YDHJVOOJTTUWDD-GXSJLCMTSA-N -2 3 363.457 2.093 20 0 FEADHL CCCSC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC000547912591 673903619 /nfs/dbraw/zinc/90/36/19/673903619.db2.gz SDYVNYPGJRKCSK-NSHDSACASA-N -2 3 353.412 2.148 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])c2)c(F)cc1F ZINC000548241889 673941378 /nfs/dbraw/zinc/94/13/78/673941378.db2.gz SQRNOCABTVDUHE-UHFFFAOYSA-N -2 3 355.362 2.492 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(F)cccc2F)s1 ZINC000548265525 673945330 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FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C1(c2c(F)cccc2F)CCC1 ZINC000629347465 676849946 /nfs/dbraw/zinc/84/99/46/676849946.db2.gz YVRLVFMOMVYXGZ-UHFFFAOYSA-N -2 3 374.390 2.477 20 0 FEADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000650427875 677373407 /nfs/dbraw/zinc/37/34/07/677373407.db2.gz UUCUZCIVFOXAEB-SSDOTTSWSA-N -2 3 371.308 2.256 20 0 FEADHL O=C([O-])c1sccc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000656181157 677724881 /nfs/dbraw/zinc/72/48/81/677724881.db2.gz PUOYFVPNQNUKAV-CBAPKCEASA-N -2 3 373.374 2.225 20 0 FEADHL COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F ZINC000663294732 678718388 /nfs/dbraw/zinc/71/83/88/678718388.db2.gz YYINFSRMIYQUDV-QMMMGPOBSA-N -2 3 373.324 2.156 20 0 FEADHL O=C([N-]CC1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1)C(F)(F)F ZINC000831133577 679929854 /nfs/dbraw/zinc/92/98/54/679929854.db2.gz AFGVZSCAQDNFPM-UHFFFAOYSA-N -2 3 370.249 2.162 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c(Cl)n1 ZINC000844802138 681083851 /nfs/dbraw/zinc/08/38/51/681083851.db2.gz WJFYIJJHRRLWDE-MRVPVSSYSA-N -2 3 374.768 2.365 20 0 FEADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CO1 ZINC000844895143 681090970 /nfs/dbraw/zinc/09/09/70/681090970.db2.gz GRTWRSPJIDAUTM-POYBYMJQSA-N -2 3 354.211 2.147 20 0 FEADHL Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844897010 681091427 /nfs/dbraw/zinc/09/14/27/681091427.db2.gz LBURNPLJJJZKMP-ZETCQYMHSA-N -2 3 374.365 2.350 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)c(C)c1 ZINC000917734428 685534268 /nfs/dbraw/zinc/53/42/68/685534268.db2.gz SHZOQQIOUKZJPB-UHFFFAOYSA-N -2 3 365.363 2.231 20 0 FEADHL CO[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F)C(F)(F)F ZINC000787250397 682445507 /nfs/dbraw/zinc/44/55/07/682445507.db2.gz VLXVRNZNDYKWQO-LLVKDONJSA-N -2 3 373.324 2.078 20 0 FEADHL CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc3sccc3c([O-])c2)s1 ZINC000791333087 682735694 /nfs/dbraw/zinc/73/56/94/682735694.db2.gz UDBVFEDBBGMMCF-UHFFFAOYSA-N -2 3 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558627600 /nfs/dbraw/zinc/62/76/00/558627600.db2.gz VOFJZXYPKBASDB-SECBINFHSA-N -2 3 354.247 2.042 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000405356254 558632305 /nfs/dbraw/zinc/63/23/05/558632305.db2.gz RDEIRDYFJGPTDO-SECBINFHSA-N -2 3 362.791 2.027 20 0 FEADHL COc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)c(Cl)cc1C(=O)[O-] ZINC000414329601 559156694 /nfs/dbraw/zinc/15/66/94/559156694.db2.gz RAEVNOCMCKUYIE-VHSXEESVSA-N -2 3 351.783 2.216 20 0 FEADHL COCC1(C[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)CCCC1 ZINC000414350810 559157889 /nfs/dbraw/zinc/15/78/89/559157889.db2.gz ZMRKKBFWHKTEIF-UHFFFAOYSA-N -2 3 359.419 2.317 20 0 FEADHL CO[C@H](C)CS(=O)(=O)[N-]c1c(C)ccc(Br)c1C(=O)[O-] ZINC000416949323 559339852 /nfs/dbraw/zinc/33/98/52/559339852.db2.gz HBVUPYFKPUUQSX-MRVPVSSYSA-N -2 3 366.233 2.232 20 0 FEADHL C[C@@H](Sc1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1)C(=O)[O-] ZINC000424060246 559653055 /nfs/dbraw/zinc/65/30/55/559653055.db2.gz CPTCNNUPNYCXAI-LLVKDONJSA-N -2 3 359.469 2.420 20 0 FEADHL CC(C)(CC[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000424392291 559662794 /nfs/dbraw/zinc/66/27/94/559662794.db2.gz OYKFKDKMWCJLIA-UHFFFAOYSA-N -2 3 355.334 2.206 20 0 FEADHL COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000436164771 559936660 /nfs/dbraw/zinc/93/66/60/559936660.db2.gz VNKNGRZCDXYBPU-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3nc[nH]n3)ccc2F)cs1 ZINC000436479469 559942734 /nfs/dbraw/zinc/94/27/34/559942734.db2.gz UKYAGDNCPNSLNH-UHFFFAOYSA-N -2 3 368.371 2.171 20 0 FEADHL COc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)ccc1[N-]S(C)(=O)=O ZINC000436533685 559944584 /nfs/dbraw/zinc/94/45/84/559944584.db2.gz UZESMKHGBFTHOF-UHFFFAOYSA-N -2 3 372.349 2.303 20 0 FEADHL COC(=O)CCc1n[n-]c(=NC(=O)c2cc(C(C)C)c([O-])cc2C)s1 ZINC000436604214 559946366 /nfs/dbraw/zinc/94/63/66/559946366.db2.gz NHYHQRTYIDCKDM-UHFFFAOYSA-N -2 3 363.439 3.033 20 0 FEADHL COc1ccc(NC(=O)c2cccc(C)c2[O-])cc1[N-]S(C)(=O)=O ZINC000436758035 559950902 /nfs/dbraw/zinc/95/09/02/559950902.db2.gz KQZFAKZCLDDWCT-UHFFFAOYSA-N -2 3 350.396 2.333 20 0 FEADHL O=C(Nc1ccccc1[O-])c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436779792 559951598 /nfs/dbraw/zinc/95/15/98/559951598.db2.gz YLPXFRSQLGEQIG-UHFFFAOYSA-N -2 3 362.407 2.135 20 0 FEADHL Cc1ccc([O-])c(NC(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)n1 ZINC000447634709 560165787 /nfs/dbraw/zinc/16/57/87/560165787.db2.gz ULXFGSMNRHSUEN-UHFFFAOYSA-N -2 3 355.803 2.373 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@@H]2N(C)CCCC2(C)C)c1 ZINC000448179362 560179866 /nfs/dbraw/zinc/17/98/66/560179866.db2.gz JUUFXUXSWOEUIL-AWEZNQCLSA-N -2 3 372.462 2.231 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C)CC)c(F)c1 ZINC000450957500 560279946 /nfs/dbraw/zinc/27/99/46/560279946.db2.gz KQKHLXBGMUNXDL-JTQLQIEISA-N -2 3 352.453 2.054 20 0 FEADHL Cc1cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)ccc1CN(C)C ZINC000458289366 560613384 /nfs/dbraw/zinc/61/33/84/560613384.db2.gz QMBQMIGKJWUVND-UHFFFAOYSA-N -2 3 367.409 2.367 20 0 FEADHL CCC(CC)(CC)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000462316128 560805611 /nfs/dbraw/zinc/80/56/11/560805611.db2.gz JYFBUJWKFBBUHK-UHFFFAOYSA-N -2 3 366.480 2.444 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H]2COc3ccccc3C2)c1 ZINC000545544944 562628669 /nfs/dbraw/zinc/62/86/69/562628669.db2.gz SXBACHMLWRQCCI-GFCCVEGCSA-N -2 3 365.382 2.114 20 0 FEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccnn1C1CCCC1 ZINC000737225290 598948562 /nfs/dbraw/zinc/94/85/62/598948562.db2.gz BEBZBMCFLYYGED-UHFFFAOYSA-N -2 3 373.442 2.288 20 0 FEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccnn1C1CCCC1 ZINC000737225290 598948563 /nfs/dbraw/zinc/94/85/63/598948563.db2.gz BEBZBMCFLYYGED-UHFFFAOYSA-N -2 3 373.442 2.288 20 0 FEADHL O=S(=O)(C=Cc1ccccc1Cl)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000823557959 599231999 /nfs/dbraw/zinc/23/19/99/599231999.db2.gz WSLJPWJWHQWIOM-BQYQJAHWSA-N -2 3 362.802 2.328 20 0 FEADHL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737611063 598381685 /nfs/dbraw/zinc/38/16/85/598381685.db2.gz BHQASSCPLLBPGE-UHFFFAOYSA-N -2 3 354.395 2.159 20 0 FEADHL CCOc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)ccc1C ZINC000736635362 598451720 /nfs/dbraw/zinc/45/17/20/598451720.db2.gz MRSSUBXXZQMDRF-UHFFFAOYSA-N -2 3 359.411 2.375 20 0 FEADHL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737344322 598594034 /nfs/dbraw/zinc/59/40/34/598594034.db2.gz DMBGUJOYDLPULI-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737344322 598594035 /nfs/dbraw/zinc/59/40/35/598594035.db2.gz DMBGUJOYDLPULI-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821051023 599620863 /nfs/dbraw/zinc/62/08/63/599620863.db2.gz WWRXUDHDQGZWDE-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821051023 599620864 /nfs/dbraw/zinc/62/08/64/599620864.db2.gz WWRXUDHDQGZWDE-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL Cc1c(C(=O)[O-])sc2[n-]c(COc3nc(C(C)C)no3)nc(=O)c12 ZINC000738292564 599705175 /nfs/dbraw/zinc/70/51/75/599705175.db2.gz UQIFTGPKTNRKCJ-UHFFFAOYSA-N -2 3 350.356 2.077 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)O[C@H](C(=O)[O-])c2ccccc2)c([O-])c1 ZINC000738514930 599789071 /nfs/dbraw/zinc/78/90/71/599789071.db2.gz NNJNNZHRAQNUJG-KRWDZBQOSA-N -2 3 357.362 2.190 20 0 FEADHL Cc1cccc(C[C@H](CNC(=O)CCc2c(C)nc(C)[n-]c2=O)C(=O)[O-])c1 ZINC000738702536 600069609 /nfs/dbraw/zinc/06/96/09/600069609.db2.gz JQJVWYXJHXUMDV-MRXNPFEDSA-N -2 3 371.437 2.100 20 0 FEADHL COc1cc(F)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1OC ZINC000737889118 600139262 /nfs/dbraw/zinc/13/92/62/600139262.db2.gz JSFDPSBWWIRNCR-UHFFFAOYSA-N -2 3 355.343 2.342 20 0 FEADHL Cc1ccc([C@@H](CNC(=O)CCc2c(C)nc(C)[n-]c2=O)C(=O)[O-])cc1 ZINC000738554426 600164858 /nfs/dbraw/zinc/16/48/58/600164858.db2.gz ORBYCWUDFFOIPN-MRXNPFEDSA-N -2 3 357.410 2.025 20 0 FEADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000547548247 600578004 /nfs/dbraw/zinc/57/80/04/600578004.db2.gz KBKRTSMCLYJJJW-JTQLQIEISA-N -2 3 368.224 2.366 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000578353501 600800233 /nfs/dbraw/zinc/80/02/33/600800233.db2.gz IEXSTVZCLSJIGO-JTQLQIEISA-N -2 3 367.427 2.034 20 0 FEADHL CCCCOCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000322158144 601227979 /nfs/dbraw/zinc/22/79/79/601227979.db2.gz GMWCSIMBYAMGSR-UHFFFAOYSA-N -2 3 351.371 2.148 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1ccco1 ZINC000831660865 601263028 /nfs/dbraw/zinc/26/30/28/601263028.db2.gz RMUJEEJKZYBTAK-VIIAAUOXSA-N -2 3 351.380 2.043 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccncc1 ZINC000827507638 601269328 /nfs/dbraw/zinc/26/93/28/601269328.db2.gz NHIZESRJABQYCY-SECBINFHSA-N -2 3 356.350 2.140 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000827755416 601523186 /nfs/dbraw/zinc/52/31/86/601523186.db2.gz QAWQXAJDMHEXFM-HFBDOXOYSA-N -2 3 351.380 2.209 20 0 FEADHL Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc(C)c1OCC(=O)[O-] ZINC000832868049 601679008 /nfs/dbraw/zinc/67/90/08/601679008.db2.gz VRABLFMRYNBCJX-UHFFFAOYSA-N -2 3 358.276 2.156 20 0 FEADHL Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc(C)c1OCC(=O)[O-] ZINC000832868049 601679010 /nfs/dbraw/zinc/67/90/10/601679010.db2.gz VRABLFMRYNBCJX-UHFFFAOYSA-N -2 3 358.276 2.156 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]CCOc2ccc(C(=O)[O-])cc2)cc1F ZINC000832887432 601882895 /nfs/dbraw/zinc/88/28/95/601882895.db2.gz ZSKWTJFXROSNBB-UHFFFAOYSA-N -2 3 371.361 2.329 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)c1-c1nnn[n-]1 ZINC000826303732 607536572 /nfs/dbraw/zinc/53/65/72/607536572.db2.gz BZCLPWSXBXREDY-UHFFFAOYSA-N -2 3 368.422 2.468 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)c1-c1nn[n-]n1 ZINC000826303732 607536573 /nfs/dbraw/zinc/53/65/73/607536573.db2.gz BZCLPWSXBXREDY-UHFFFAOYSA-N -2 3 368.422 2.468 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])cc1 ZINC000740716938 602246264 /nfs/dbraw/zinc/24/62/64/602246264.db2.gz QFYNCFDRNZVCGQ-UHFFFAOYSA-N -3 3 362.363 2.226 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(-c2nc(C3(NC(=O)[O-])CCCC3)no2)cc1 ZINC000740002704 602412143 /nfs/dbraw/zinc/41/21/43/602412143.db2.gz SDRONDNXYBFQFK-UHFFFAOYSA-N -2 3 366.399 2.145 20 0 FEADHL O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000740728522 602590330 /nfs/dbraw/zinc/59/03/30/602590330.db2.gz BLMZBLUGPAYJHJ-SWLSCSKDSA-N -2 3 370.409 2.330 20 0 FEADHL CCOCCN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])C[C@H]1CC ZINC000739486122 602867449 /nfs/dbraw/zinc/86/74/49/602867449.db2.gz DYASHFXUOBLNRL-CQSZACIVSA-N -2 3 365.430 2.055 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCC[C@@H]3NC(=O)[O-])cc2)n1 ZINC000740055517 602970937 /nfs/dbraw/zinc/97/09/37/602970937.db2.gz SUTNYPLCJPEEFQ-KBPBESRZSA-N -2 3 356.382 2.120 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3CCN(C(=O)[O-])[C@@H](C)C3)cc2)cc(=O)[n-]1 ZINC000830686787 603284514 /nfs/dbraw/zinc/28/45/14/603284514.db2.gz RLIUCUSYAVYODW-NSHDSACASA-N -2 3 371.397 2.374 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](NC(=O)[O-])[C@H](C)C3)nc2)n1 ZINC000739536018 603405533 /nfs/dbraw/zinc/40/55/33/603405533.db2.gz LONFLJPTSZUNOC-RISCZKNCSA-N -2 3 357.414 2.289 20 0 FEADHL CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)c1 ZINC000823611597 603928536 /nfs/dbraw/zinc/92/85/36/603928536.db2.gz QYTJAKPGPCKNNF-OAHLLOKOSA-N -2 3 357.366 2.089 20 0 FEADHL C[C@H](NC(=O)[O-])[C@H]1CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000825272693 604027495 /nfs/dbraw/zinc/02/74/95/604027495.db2.gz NAFHZGVJKVUCQD-RYUDHWBXSA-N -2 3 362.459 2.328 20 0 FEADHL C[C@@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824711458 604315866 /nfs/dbraw/zinc/31/58/66/604315866.db2.gz WZEHBJILKHEXSF-NWDGAFQWSA-N -2 3 358.402 2.221 20 0 FEADHL CO[C@H](C)c1nc(=NC(=O)c2cnc3c(C)cc(C)cc3c2[O-])s[n-]1 ZINC000559056884 674526088 /nfs/dbraw/zinc/52/60/88/674526088.db2.gz QPKGERMTJDDSPH-SNVBAGLBSA-N -2 3 358.423 2.378 20 0 FEADHL CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1(CC)CC ZINC000577059541 605043498 /nfs/dbraw/zinc/04/34/98/605043498.db2.gz WUGRDPRJQAHFGD-MNOVXSKESA-N -2 3 362.473 2.103 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c(Br)o1 ZINC000236492001 605081963 /nfs/dbraw/zinc/08/19/63/605081963.db2.gz ANWZSRSCAWAGSO-UHFFFAOYSA-N -2 3 364.217 2.209 20 0 FEADHL Cc1nc(C)c(CCC(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c(=O)[n-]1 ZINC000567827034 605083368 /nfs/dbraw/zinc/08/33/68/605083368.db2.gz DCLIATGALLSYEU-MRXNPFEDSA-N -2 3 371.437 2.324 20 0 FEADHL CC(C)(C)C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C(=O)[O-] ZINC000833430798 605236910 /nfs/dbraw/zinc/23/69/10/605236910.db2.gz ZDRLSXTXHRFDPQ-LBPRGKRZSA-N -2 3 361.391 2.243 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c1 ZINC000833733727 605240773 /nfs/dbraw/zinc/24/07/73/605240773.db2.gz NRGDMHDFYYPATF-UHFFFAOYSA-N -3 3 356.331 2.431 20 0 FEADHL O=C(CN1CCC([C@@H]2CCCN2C(=O)[O-])CC1)[N-]OCc1ccccc1 ZINC000834007393 605807147 /nfs/dbraw/zinc/80/71/47/605807147.db2.gz LSIZUMKWKDPCQM-KRWDZBQOSA-N -2 3 361.442 2.089 20 0 FEADHL COc1cc(C(=O)N2CCC3(C2)CCN(C(=O)[O-])CC3)cc(OC)c1[O-] ZINC000833885744 605937175 /nfs/dbraw/zinc/93/71/75/605937175.db2.gz NRHHZTAPVUIORM-UHFFFAOYSA-N -2 3 364.398 2.016 20 0 FEADHL CCc1cccc(CC)c1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000821491947 606212082 /nfs/dbraw/zinc/21/20/82/606212082.db2.gz DMMQXULTOVTBHI-UHFFFAOYSA-N -2 3 373.438 2.498 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccc(Cl)cc1 ZINC000823583568 606336865 /nfs/dbraw/zinc/33/68/65/606336865.db2.gz UQMVIPSUOZIQDY-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)n1 ZINC000822258720 606695786 /nfs/dbraw/zinc/69/57/86/606695786.db2.gz AWFOWBKGQLAKOH-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)n1 ZINC000822258720 606695787 /nfs/dbraw/zinc/69/57/87/606695787.db2.gz AWFOWBKGQLAKOH-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL O=S(=O)([N-]c1cc(Cl)ccn1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823582971 606696170 /nfs/dbraw/zinc/69/61/70/606696170.db2.gz FKGYRJGFMNATRG-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1cc(Cl)ccn1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823582971 606696171 /nfs/dbraw/zinc/69/61/71/606696171.db2.gz FKGYRJGFMNATRG-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000820108549 607025189 /nfs/dbraw/zinc/02/51/89/607025189.db2.gz MQIGMLLDQLKSQP-UHFFFAOYSA-N -2 3 364.456 2.323 20 0 FEADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822240198 607025814 /nfs/dbraw/zinc/02/58/14/607025814.db2.gz WNJHNNGUSSGOLT-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1C ZINC000824024465 607982341 /nfs/dbraw/zinc/98/23/41/607982341.db2.gz GCQPPSFOWIJYAH-UHFFFAOYSA-N -2 3 357.395 2.179 20 0 FEADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1C ZINC000824024465 607982342 /nfs/dbraw/zinc/98/23/42/607982342.db2.gz GCQPPSFOWIJYAH-UHFFFAOYSA-N -2 3 357.395 2.179 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000571203982 670834637 /nfs/dbraw/zinc/83/46/37/670834637.db2.gz DFYRCVINCHIIHG-CZUORRHYSA-N -2 3 365.407 2.342 20 0 FEADHL CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000571204706 670835301 /nfs/dbraw/zinc/83/53/01/670835301.db2.gz RUOONQKWJQVNPW-RKDXNWHRSA-N -2 3 350.487 2.184 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC000573917023 671181227 /nfs/dbraw/zinc/18/12/27/671181227.db2.gz JOTYGDQEOVDHGY-JTQLQIEISA-N -2 3 354.453 2.486 20 0 FEADHL CCCCOc1cccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000575057223 671295908 /nfs/dbraw/zinc/29/59/08/671295908.db2.gz LKTODRFVZKEKFC-UHFFFAOYSA-N -2 3 370.452 2.499 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1)c1ccco1 ZINC000575865312 671326825 /nfs/dbraw/zinc/32/68/25/671326825.db2.gz XWBDMJVTUZBUEI-AWEZNQCLSA-N -2 3 365.407 2.062 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3cc(F)ccc32)o1 ZINC000582298798 671987122 /nfs/dbraw/zinc/98/71/22/671987122.db2.gz DLSHMLBSYWMYJI-NSHDSACASA-N -2 3 355.343 2.309 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-][N-]C(=O)CCc2ccccc2O)c1Cl ZINC000179994295 672407699 /nfs/dbraw/zinc/40/76/99/672407699.db2.gz GUHQZHCYEBLZMY-UHFFFAOYSA-N -2 3 368.842 2.296 20 0 FEADHL Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)ccc21 ZINC000182493111 672446493 /nfs/dbraw/zinc/44/64/93/672446493.db2.gz URKDZVNNYISYEZ-UHFFFAOYSA-N -2 3 354.771 2.291 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(=O)[O-])cc1F ZINC000681577712 672676613 /nfs/dbraw/zinc/67/66/13/672676613.db2.gz XVFBLMUYZNCVRK-CYBMUJFWSA-N -2 3 369.389 2.495 20 0 FEADHL O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1cc([O-])cc(Br)c1 ZINC000713543205 673070613 /nfs/dbraw/zinc/07/06/13/673070613.db2.gz IQXUPHOFNBLHJW-VIFPVBQESA-N -2 3 350.115 2.089 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000547557088 673863184 /nfs/dbraw/zinc/86/31/84/673863184.db2.gz IOFZPCCBGMRVRC-LBPRGKRZSA-N -2 3 372.830 2.167 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C1CCOCC1 ZINC000547581241 673868212 /nfs/dbraw/zinc/86/82/12/673868212.db2.gz MUGLBKLWUONNPT-NSHDSACASA-N -2 3 365.810 2.027 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]C[C@H](Cc2cccc(C)c2)C(=O)[O-])s1 ZINC000547886214 673897527 /nfs/dbraw/zinc/89/75/27/673897527.db2.gz RLMMIEYGLDCNFF-ZDUSSCGKSA-N -2 3 368.480 2.236 20 0 FEADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000547895692 673899634 /nfs/dbraw/zinc/89/96/34/673899634.db2.gz JIDJUHVTXMNFPH-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1 ZINC000548205482 673934088 /nfs/dbraw/zinc/93/40/88/673934088.db2.gz ADWGEZFCWDIREW-UHFFFAOYSA-N -2 3 371.386 2.040 20 0 FEADHL CCc1nc(C[N-]S(=O)(=O)c2cc(F)ccc2F)ccc1C(=O)[O-] ZINC000548215592 673936018 /nfs/dbraw/zinc/93/60/18/673936018.db2.gz HFOGTKBNIOOULA-UHFFFAOYSA-N -2 3 356.350 2.099 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)CC(=O)[O-] ZINC000548259883 673943900 /nfs/dbraw/zinc/94/39/00/673943900.db2.gz FMLYJJSELZQNMW-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000548264850 673945049 /nfs/dbraw/zinc/94/50/49/673945049.db2.gz QEQSDSYDFWHPAF-KOLCDFICSA-N -2 3 370.254 2.194 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)Cc1cccnc1 ZINC000548553141 673970782 /nfs/dbraw/zinc/97/07/82/673970782.db2.gz OPAPRYZQUAVPLQ-LLVKDONJSA-N -2 3 372.805 2.096 20 0 FEADHL COc1cc(OC)c(S(=O)(=O)[N-]c2cccc([O-])c2F)c(OC)c1 ZINC000548611352 673979743 /nfs/dbraw/zinc/97/97/43/673979743.db2.gz HXISPRMQZWRHMH-UHFFFAOYSA-N -2 3 357.359 2.358 20 0 FEADHL Cc1ccc(OCCCC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000566972078 675257214 /nfs/dbraw/zinc/25/72/14/675257214.db2.gz YVCMMXKAJIYMPH-UHFFFAOYSA-N -2 3 353.396 2.424 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])o1 ZINC000568002680 675342914 /nfs/dbraw/zinc/34/29/14/675342914.db2.gz JOJJPVSDWWSVOT-LBPRGKRZSA-N -2 3 357.815 2.463 20 0 FEADHL CC(C)c1cccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000820198181 675342960 /nfs/dbraw/zinc/34/29/60/675342960.db2.gz RSZNNZYKJZSLSK-UHFFFAOYSA-N -2 3 350.429 2.247 20 0 FEADHL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000656165556 677717310 /nfs/dbraw/zinc/71/73/10/677717310.db2.gz VRRMGUTZXGKAQZ-QMMMGPOBSA-N -2 3 374.615 2.194 20 0 FEADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1cnc(Cl)c(Cl)c1 ZINC000826492799 675689468 /nfs/dbraw/zinc/68/94/68/675689468.db2.gz DYALANNCFNHDAT-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCOCC2)c1 ZINC000829447020 675879113 /nfs/dbraw/zinc/87/91/13/675879113.db2.gz DYIORSYTWWOJMS-INIZCTEOSA-N -2 3 365.407 2.424 20 0 FEADHL C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000626754890 676721007 /nfs/dbraw/zinc/72/10/07/676721007.db2.gz ASAFHSVXDKXVPU-KOLCDFICSA-N -2 3 371.231 2.407 20 0 FEADHL COc1cc([N-]S(=O)(=O)[C@H]2COC(C)(C)C2)c(Cl)cc1C(=O)[O-] ZINC000629292161 676841577 /nfs/dbraw/zinc/84/15/77/676841577.db2.gz BRTUECJDYUZZEU-MRVPVSSYSA-N -2 3 363.819 2.356 20 0 FEADHL O=C([O-])[C@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCOC1 ZINC000630433386 676900658 /nfs/dbraw/zinc/90/06/58/676900658.db2.gz SIZIQSXEVFETCP-ZDUSSCGKSA-N -2 3 368.238 2.153 20 0 FEADHL CCO[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000663424207 678735640 /nfs/dbraw/zinc/73/56/40/678735640.db2.gz KMFKNYBQWSRSQN-ZDUSSCGKSA-N -2 3 353.396 2.342 20 0 FEADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000672787638 679393492 /nfs/dbraw/zinc/39/34/92/679393492.db2.gz AYSCXXKQCKKEHB-SKDRFNHKSA-N -2 3 352.334 2.022 20 0 FEADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)(CC(=O)[O-])C1 ZINC000844790517 681082635 /nfs/dbraw/zinc/08/26/35/681082635.db2.gz YRBWLVLDQILWFH-YMTOWFKASA-N -2 3 364.826 2.434 20 0 FEADHL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000775295577 681294757 /nfs/dbraw/zinc/29/47/57/681294757.db2.gz SAYFRTZAPDPBRR-UHFFFAOYSA-N -2 3 366.782 2.033 20 0 FEADHL O=C([O-])C[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000776611899 681416463 /nfs/dbraw/zinc/41/64/63/681416463.db2.gz XMIDPCSFNAGWQP-GFCCVEGCSA-N -2 3 354.815 2.099 20 0 FEADHL CSCC[C@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1nn[n-]n1 ZINC000912858406 685457290 /nfs/dbraw/zinc/45/72/90/685457290.db2.gz OAESVOQJTCVCGZ-JTQLQIEISA-N -2 3 363.340 2.180 20 0 FEADHL CC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000863409240 683717899 /nfs/dbraw/zinc/71/78/99/683717899.db2.gz XVAQBDIDKOEJFY-SECBINFHSA-N -2 3 373.736 2.069 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2cc([O-])cc(F)c2)ccc1N1CCOCC1 ZINC000872362388 684940666 /nfs/dbraw/zinc/94/06/66/684940666.db2.gz PIMKEUWZKPSLTD-UHFFFAOYSA-N -2 3 366.414 2.477 20 0 FEADHL CSc1nc(=O)[n-]c(C)c1C(=O)NCCc1c(F)cc([O-])cc1F ZINC000886266760 688223076 /nfs/dbraw/zinc/22/30/76/688223076.db2.gz XTHVOOJLIGILQF-UHFFFAOYSA-N -2 3 355.366 2.169 20 0 FEADHL O=C([O-])C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000903560579 690924446 /nfs/dbraw/zinc/92/44/46/690924446.db2.gz FJCQONRBORIQKW-BDAKNGLRSA-N -2 3 352.334 2.022 20 0 FEADHL O=C([O-])[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000905999825 691209527 /nfs/dbraw/zinc/20/95/27/691209527.db2.gz FYSKOWPLLMHAMT-PSASIEDQSA-N -2 3 368.238 2.294 20 0 FEADHL C[C@@]1(C(=O)[O-])C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000906007732 691212219 /nfs/dbraw/zinc/21/22/19/691212219.db2.gz BOEDFGZBWAJLEM-OQPBUACISA-N -2 3 368.238 2.294 20 0 FEADHL O=C([O-])[C@H]1CC12CCN(C(=O)c1cc([O-])cc(Br)c1)CC2 ZINC000908651308 691709602 /nfs/dbraw/zinc/70/96/02/691709602.db2.gz BGRPPQSNOLSFDK-GFCCVEGCSA-N -2 3 354.200 2.482 20 0 FEADHL O=C([O-])[C@@H](CC1CC1)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000909159068 691787800 /nfs/dbraw/zinc/78/78/00/691787800.db2.gz IFYGMEMTXLOMNJ-LLVKDONJSA-N -2 3 357.204 2.207 20 0 FEADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC000026527730 539788793 /nfs/dbraw/zinc/78/87/93/539788793.db2.gz AFIJNXRTVHBPQB-UHFFFAOYSA-N -2 3 351.380 2.211 20 0 FEADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000036833104 539994852 /nfs/dbraw/zinc/99/48/52/539994852.db2.gz XYPGDVDIGDAIEZ-UHFFFAOYSA-N -2 3 354.453 2.476 20 0 FEADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000037573971 539997396 /nfs/dbraw/zinc/99/73/96/539997396.db2.gz IFDWNYNTVHCWRO-CPCISQLKSA-N -2 3 368.224 2.366 20 0 FEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc1C(=O)[O-] ZINC000042795232 540078423 /nfs/dbraw/zinc/07/84/23/540078423.db2.gz AWWLUVALGKEISE-UHFFFAOYSA-N -2 3 363.395 2.293 20 0 FEADHL Cc1ccoc1C(=O)[N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000054032085 540565166 /nfs/dbraw/zinc/56/51/66/540565166.db2.gz VIICCKKMTSWIER-UHFFFAOYSA-N -2 3 364.408 2.493 20 0 FEADHL Cc1ccc(C(=O)[N-]c2nnc([N-]S(=O)(=O)c3ccccc3)s2)o1 ZINC000054032091 540565228 /nfs/dbraw/zinc/56/52/28/540565228.db2.gz JGUBFALGRHDCBC-UHFFFAOYSA-N -2 3 364.408 2.493 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1ccc2c(c1)CCCC2 ZINC000122921890 543731625 /nfs/dbraw/zinc/73/16/25/543731625.db2.gz DKNQQQGFWMDRRZ-UHFFFAOYSA-N -2 3 369.450 2.470 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1ccc2c(c1)CCCC2 ZINC000122921890 543731628 /nfs/dbraw/zinc/73/16/28/543731628.db2.gz DKNQQQGFWMDRRZ-UHFFFAOYSA-N -2 3 369.450 2.470 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc([O-])c(Br)c1 ZINC000127256484 543980956 /nfs/dbraw/zinc/98/09/56/543980956.db2.gz QRMMDURZPCHEND-UHFFFAOYSA-N -2 3 361.217 2.238 20 0 FEADHL CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000261570546 328803862 /nfs/dbraw/zinc/80/38/62/328803862.db2.gz OTVVWKBCVMRPGL-VIFPVBQESA-N -2 3 370.652 2.490 20 0 FEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]C[C@@H](C)N2CCC(C)CC2)c1F ZINC000184967187 327892574 /nfs/dbraw/zinc/89/25/74/327892574.db2.gz UKZXNQZBRJGMJB-CYBMUJFWSA-N -2 3 372.462 2.231 20 0 FEADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161792485 327009521 /nfs/dbraw/zinc/00/95/21/327009521.db2.gz MIDYYEKCIRPAIG-CPCISQLKSA-N -2 3 368.224 2.366 20 0 FEADHL CCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000262316210 328858775 /nfs/dbraw/zinc/85/87/75/328858775.db2.gz PLTNOFWXTVXUOP-MRVPVSSYSA-N -2 3 359.297 2.256 20 0 FEADHL O=C([O-])CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000262374309 328861988 /nfs/dbraw/zinc/86/19/88/328861988.db2.gz FWZOFLRMYLZGMK-AWEZNQCLSA-N -2 3 368.842 2.489 20 0 FEADHL CC(C)n1cnc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000262397420 328863304 /nfs/dbraw/zinc/86/33/04/328863304.db2.gz JMVFCFYDZPSIDM-HNNXBMFYSA-N -2 3 365.455 2.218 20 0 FEADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000263050401 328911275 /nfs/dbraw/zinc/91/12/75/328911275.db2.gz DKAXFIKTXWYQKA-SECBINFHSA-N -2 3 369.361 2.452 20 0 FEADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000263151865 328920211 /nfs/dbraw/zinc/92/02/11/328920211.db2.gz FLJCDBINEXNOIE-KOLCDFICSA-N -2 3 371.231 2.407 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1ccc(C)o1 ZINC000273756850 329889249 /nfs/dbraw/zinc/88/92/49/329889249.db2.gz VWGPMGDTUHOYEA-CYBMUJFWSA-N -2 3 353.396 2.261 20 0 FEADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1Cl ZINC000275052009 330005632 /nfs/dbraw/zinc/00/56/32/330005632.db2.gz SLUYXZUDQFRQED-HTQZYQBOSA-N -2 3 366.222 2.310 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000275087147 330009167 /nfs/dbraw/zinc/00/91/67/330009167.db2.gz ZUPADKRXADNRMJ-GFCCVEGCSA-N -2 3 360.338 2.064 20 0 FEADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2c(C)cccc2F)(C(=O)[O-])C1(C)C ZINC000275639278 330073191 /nfs/dbraw/zinc/07/31/91/330073191.db2.gz NAZWHYZWKNJMSJ-MLGOLLRUSA-N -2 3 359.419 2.071 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)co1 ZINC000186262542 548108543 /nfs/dbraw/zinc/10/85/43/548108543.db2.gz ZXTBWTGCWMPEPA-SNVBAGLBSA-N -2 3 350.396 2.047 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cnc2ccsc2c1 ZINC000486770476 561356092 /nfs/dbraw/zinc/35/60/92/561356092.db2.gz JIFHBQLPIKTFIC-UHFFFAOYSA-N -2 3 358.408 2.277 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cnc2ccsc2c1 ZINC000486770476 561356093 /nfs/dbraw/zinc/35/60/93/561356093.db2.gz JIFHBQLPIKTFIC-UHFFFAOYSA-N -2 3 358.408 2.277 20 0 FEADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000230102387 548757999 /nfs/dbraw/zinc/75/79/99/548757999.db2.gz DZNUBBGXMSPPDM-LBPRGKRZSA-N -2 3 368.224 2.367 20 0 FEADHL C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000248863364 549515435 /nfs/dbraw/zinc/51/54/35/549515435.db2.gz GQFYCRXNBTUSTB-UTUOFQBUSA-N -2 3 360.501 2.091 20 0 FEADHL C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CCO1 ZINC000273678396 550507703 /nfs/dbraw/zinc/50/77/03/550507703.db2.gz HEDPCFQKHJNOCJ-RKDXNWHRSA-N -2 3 365.810 2.271 20 0 FEADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CCO1 ZINC000273708419 550508716 /nfs/dbraw/zinc/50/87/16/550508716.db2.gz ORBOPVSOWIGDGX-SFYZADRCSA-N -2 3 351.783 2.023 20 0 FEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-] ZINC000278184548 550758568 /nfs/dbraw/zinc/75/85/68/550758568.db2.gz FOSLVWQZITVVDB-SSDOTTSWSA-N -2 3 361.725 2.033 20 0 FEADHL COc1nc([N-]C(=O)c2cc3sc(N4CCCC4)nc3s2)n[n-]1 ZINC000279727264 550921950 /nfs/dbraw/zinc/92/19/50/550921950.db2.gz AFYHHUJVWUOTAD-UHFFFAOYSA-N -2 3 350.429 2.337 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2(O)CCC2)cc(Cl)c1Cl ZINC000283811586 551431096 /nfs/dbraw/zinc/43/10/96/551431096.db2.gz BPBVARSKZAQSGK-UHFFFAOYSA-N -2 3 368.238 2.275 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])s1 ZINC000285283753 551731773 /nfs/dbraw/zinc/73/17/73/551731773.db2.gz WWALXMSZVXWKCN-VIFPVBQESA-N -2 3 368.274 2.351 20 0 FEADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)cc1 ZINC000504658259 561660792 /nfs/dbraw/zinc/66/07/92/561660792.db2.gz QPRBTTMRVIWGHO-UHFFFAOYSA-N -2 3 365.363 2.070 20 0 FEADHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)cc1C ZINC000325496391 553776873 /nfs/dbraw/zinc/77/68/73/553776873.db2.gz LNKQHGUANXOUCX-UHFFFAOYSA-N -2 3 356.400 2.135 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)ccc1C(=O)[O-] ZINC000506651513 561705087 /nfs/dbraw/zinc/70/50/87/561705087.db2.gz AGUNNVAFEGARRV-QHCPKHFHSA-N -2 3 367.448 2.373 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)ccc1C(=O)[O-] ZINC000506707257 561706568 /nfs/dbraw/zinc/70/65/68/561706568.db2.gz NRLVCRHUUMMORS-UHFFFAOYSA-N -2 3 372.406 2.134 20 0 FEADHL CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2ccsc2)ccc1F ZINC000506707702 561706721 /nfs/dbraw/zinc/70/67/21/561706721.db2.gz NGVZLFUSEZPJJE-UHFFFAOYSA-N -2 3 350.418 2.060 20 0 FEADHL CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(C(=O)[O-])cc2)ccc1F ZINC000506787619 561708599 /nfs/dbraw/zinc/70/85/99/561708599.db2.gz HRIDUCCTXLBRJM-UHFFFAOYSA-N -2 3 352.343 2.148 20 0 FEADHL COC(=O)c1c(C)nc(=O)[n-]c1SCc1nc(=O)c2sccc2[n-]1 ZINC000507294909 561723868 /nfs/dbraw/zinc/72/38/68/561723868.db2.gz JOCLHQVBVVPRSG-UHFFFAOYSA-N -2 3 364.408 2.280 20 0 FEADHL Cn1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cc1C(=O)[O-] ZINC000509397409 561797728 /nfs/dbraw/zinc/79/77/28/561797728.db2.gz TWFAOZLZTHVOMV-UHFFFAOYSA-N -2 3 364.301 2.265 20 0 FEADHL O=c1[n-]n(CCc2nc(-c3ccc([O-])cc3F)no2)c(=O)c2ccccc12 ZINC000350840564 554817159 /nfs/dbraw/zinc/81/71/59/554817159.db2.gz MMVSSCANYRSQHD-UHFFFAOYSA-N -2 3 368.324 2.240 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(-c2nnc[nH]2)c1 ZINC000362668040 554979245 /nfs/dbraw/zinc/97/92/45/554979245.db2.gz PVUSTKZLVDYXLH-UHFFFAOYSA-N -2 3 364.408 2.341 20 0 FEADHL CS(=O)(=O)[N-]c1c[nH]nc1[C@@H]1CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000364863543 555418279 /nfs/dbraw/zinc/41/82/79/555418279.db2.gz SGAOQZJYQACCKU-GFCCVEGCSA-N -2 3 368.434 2.006 20 0 FEADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H]3CCCCCC[C@@H]3C(=O)[O-])cn21 ZINC000515046893 561993545 /nfs/dbraw/zinc/99/35/45/561993545.db2.gz GPWPFACMJZFTGJ-RDBSUJKOSA-N -2 3 369.487 2.482 20 0 FEADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c3cccc(F)c3)cn21 ZINC000515519875 562013848 /nfs/dbraw/zinc/01/38/48/562013848.db2.gz ZRESPAJRLZKIEW-BONVTDFDSA-N -2 3 367.402 2.024 20 0 FEADHL C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000516510408 562045499 /nfs/dbraw/zinc/04/54/99/562045499.db2.gz PDCDBAARDPPQTP-RFAUZJTJSA-N -2 3 351.355 2.324 20 0 FEADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]1CCOC2(CCC2)C1 ZINC000372260195 557423478 /nfs/dbraw/zinc/42/34/78/557423478.db2.gz GXXAQHPJBLHLQB-GXTWGEPZSA-N -2 3 371.430 2.215 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1cc(Br)cc2cccnc21)C(=O)[O-] ZINC000520382403 562155171 /nfs/dbraw/zinc/15/51/71/562155171.db2.gz DNFGHCDXTZKLHT-JTQLQIEISA-N -2 3 373.228 2.139 20 0 FEADHL Cc1cnc(C[N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)o1 ZINC000392192515 558616499 /nfs/dbraw/zinc/61/64/99/558616499.db2.gz HSGKPBJGEUZIQY-UHFFFAOYSA-N -2 3 352.412 2.014 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)cc1 ZINC000392751680 558619137 /nfs/dbraw/zinc/61/91/37/558619137.db2.gz JNMDYYJSXQYKTM-UHFFFAOYSA-N -2 3 364.354 2.209 20 0 FEADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000401313967 558629769 /nfs/dbraw/zinc/62/97/69/558629769.db2.gz QNXSMNBMNPPPOJ-JTQLQIEISA-N -2 3 365.249 2.012 20 0 FEADHL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000408503974 558685388 /nfs/dbraw/zinc/68/53/88/558685388.db2.gz UDQAKVTXGOFFOY-HAQNSBGRSA-N -2 3 350.444 2.225 20 0 FEADHL CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000414331395 559156652 /nfs/dbraw/zinc/15/66/52/559156652.db2.gz FKMZHRADQJZVLJ-UHFFFAOYSA-N -2 3 358.803 2.457 20 0 FEADHL CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CCO1 ZINC000414332820 559156937 /nfs/dbraw/zinc/15/69/37/559156937.db2.gz LXLCDFWGVSTFQP-RISCZKNCSA-N -2 3 359.419 2.253 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2cnc(C)cc2C)c1 ZINC000414346302 559157809 /nfs/dbraw/zinc/15/78/09/559157809.db2.gz ULLBSRKONUFCGO-UHFFFAOYSA-N -2 3 352.387 2.323 20 0 FEADHL CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000431577279 559841763 /nfs/dbraw/zinc/84/17/63/559841763.db2.gz GIJCVQLEXUVBGT-UHFFFAOYSA-N -2 3 366.480 2.300 20 0 FEADHL O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(F)ccc1[O-] ZINC000436542935 559944731 /nfs/dbraw/zinc/94/47/31/559944731.db2.gz BVPKXGPQNYTRPQ-UHFFFAOYSA-N -2 3 358.369 2.272 20 0 FEADHL O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436541739 559944860 /nfs/dbraw/zinc/94/48/60/559944860.db2.gz ZMOAVENMMZOUBG-UHFFFAOYSA-N -2 3 354.210 2.478 20 0 FEADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2CCc3c2cccc3F)c1 ZINC000436574045 559945700 /nfs/dbraw/zinc/94/57/00/559945700.db2.gz KCGJEZWKGCCVRH-UHFFFAOYSA-N -2 3 351.355 2.289 20 0 FEADHL COc1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c([O-])c1 ZINC000436811855 559952905 /nfs/dbraw/zinc/95/29/05/559952905.db2.gz LBCCKUJYKXNSIX-UHFFFAOYSA-N -2 3 354.359 2.164 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000436895969 559955763 /nfs/dbraw/zinc/95/57/63/559955763.db2.gz WOIXKYWJEHKYKG-UHFFFAOYSA-N -3 3 359.306 2.493 20 0 FEADHL COc1cc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc(Cl)c1[O-] ZINC000443217953 560074809 /nfs/dbraw/zinc/07/48/09/560074809.db2.gz QVIDPXRLDSETRD-UHFFFAOYSA-N -2 3 350.684 2.121 20 0 FEADHL COc1cc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc(Cl)c1[O-] ZINC000443217953 560074810 /nfs/dbraw/zinc/07/48/10/560074810.db2.gz QVIDPXRLDSETRD-UHFFFAOYSA-N -2 3 350.684 2.121 20 0 FEADHL CCN(CCNC(=O)c1c([O-])cccc1F)C(=O)c1c([O-])cccc1F ZINC000444350135 560110714 /nfs/dbraw/zinc/11/07/14/560110714.db2.gz GQOZKTBDQNPPPY-UHFFFAOYSA-N -2 3 364.348 2.268 20 0 FEADHL CCC[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1nnn[n-]1 ZINC000447503557 560163359 /nfs/dbraw/zinc/16/33/59/560163359.db2.gz DVQSONULCSJEQK-NSHDSACASA-N -2 3 361.793 2.016 20 0 FEADHL CCC[C@H](NC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1nn[n-]n1 ZINC000447503557 560163360 /nfs/dbraw/zinc/16/33/60/560163360.db2.gz DVQSONULCSJEQK-NSHDSACASA-N -2 3 361.793 2.016 20 0 FEADHL CC(C)(C)CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(=O)[O-] ZINC000449136008 560217578 /nfs/dbraw/zinc/21/75/78/560217578.db2.gz SWYBRUUOYWCXOQ-ZDUSSCGKSA-N -2 3 356.444 2.067 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C)C2CC2)c(F)c1 ZINC000451010075 560282124 /nfs/dbraw/zinc/28/21/24/560282124.db2.gz SMDXCHJKUZLPHX-JTQLQIEISA-N -2 3 364.464 2.054 20 0 FEADHL CC/C=C\C[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451771983 560327770 /nfs/dbraw/zinc/32/77/70/560327770.db2.gz UMDBVNUNAZDSMC-WAYWQWQTSA-N -2 3 364.464 2.222 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000466333714 560884549 /nfs/dbraw/zinc/88/45/49/560884549.db2.gz CJNVZJDWCWYXSI-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)[N-]C4=O)ccc2O1 ZINC000469035182 560945471 /nfs/dbraw/zinc/94/54/71/560945471.db2.gz TVCNTUYUNMXVOH-UHFFFAOYSA-N -2 3 372.402 2.085 20 0 FEADHL COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc(OC)c1OC ZINC000470236718 560977204 /nfs/dbraw/zinc/97/72/04/560977204.db2.gz KNUPJKYSAZULSS-AATRIKPKSA-N -2 3 360.366 2.314 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000530149697 562400095 /nfs/dbraw/zinc/40/00/95/562400095.db2.gz HBNXTQSHNAYUJH-HBNTYKKESA-N -2 3 370.839 2.111 20 0 FEADHL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2[O-])c1 ZINC000531600306 562451263 /nfs/dbraw/zinc/45/12/63/562451263.db2.gz CXFFPGUTWDTBCJ-UHFFFAOYSA-N -3 3 371.392 2.048 20 0 FEADHL Cc1c(Br)cc(-c2nc(=O)c3cc([O-])ccc3[n-]2)c(=O)n1C ZINC000556414542 674401579 /nfs/dbraw/zinc/40/15/79/674401579.db2.gz HUABNPJCJAWGHR-UHFFFAOYSA-N -2 3 362.183 2.478 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c(Cl)c1 ZINC000822266579 599234085 /nfs/dbraw/zinc/23/40/85/599234085.db2.gz DCSUPTZDFIDPMK-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c(Cl)c1 ZINC000822266579 599234087 /nfs/dbraw/zinc/23/40/87/599234087.db2.gz DCSUPTZDFIDPMK-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=S(=O)([N-]c1cc(Cl)ccc1O)c1cccc(-c2nnn[n-]2)c1 ZINC000738344256 598566399 /nfs/dbraw/zinc/56/63/99/598566399.db2.gz DKBKSCHQYVSKDJ-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=S(=O)([N-]c1cc(Cl)ccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000738344256 598566400 /nfs/dbraw/zinc/56/64/00/598566400.db2.gz DKBKSCHQYVSKDJ-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735652175 598636949 /nfs/dbraw/zinc/63/69/49/598636949.db2.gz DCKJCXKGZGNYSX-UHFFFAOYSA-N -2 3 358.427 2.360 20 0 FEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000821765810 599302006 /nfs/dbraw/zinc/30/20/06/599302006.db2.gz LNGLJTWJUFUACV-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL CC(=CC(=O)N=c1[n-]c(C)nn1-c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000819765340 599631600 /nfs/dbraw/zinc/63/16/00/599631600.db2.gz OSADFYHNHOTQGZ-ZHACJKMWSA-N -2 3 366.429 2.109 20 0 FEADHL CC(=CC(=O)N=c1[n-]c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000819765340 599631601 /nfs/dbraw/zinc/63/16/01/599631601.db2.gz OSADFYHNHOTQGZ-ZHACJKMWSA-N -2 3 366.429 2.109 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccccn2)o1 ZINC000740173395 599767081 /nfs/dbraw/zinc/76/70/81/599767081.db2.gz LRFUDLCOYGOLOR-MRXNPFEDSA-N -2 3 358.375 2.441 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)o1 ZINC000570043501 599773259 /nfs/dbraw/zinc/77/32/59/599773259.db2.gz YWKNGMKFVSIBEI-SWLSCSKDSA-N -2 3 369.370 2.316 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2c2ccccc2)o1 ZINC000579829420 599774325 /nfs/dbraw/zinc/77/43/25/599774325.db2.gz JBLNETZJAJDUEJ-CZUORRHYSA-N -2 3 365.407 2.424 20 0 FEADHL O=C([O-])c1ccc(OCC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000740167915 599940259 /nfs/dbraw/zinc/94/02/59/599940259.db2.gz MAOYKCJFTYBDMH-UHFFFAOYSA-N -2 3 357.334 2.020 20 0 FEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)o1 ZINC000740132959 600445098 /nfs/dbraw/zinc/44/50/98/600445098.db2.gz PKFFBWCWXNLTPM-UHFFFAOYSA-N -2 3 351.167 2.158 20 0 FEADHL C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736764506 600632608 /nfs/dbraw/zinc/63/26/08/600632608.db2.gz GCURFTAUQBTYHQ-BQBZGAKWSA-N -2 3 366.208 2.221 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000046171468 600810148 /nfs/dbraw/zinc/81/01/48/600810148.db2.gz QVNRUHLNIWPBKV-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)COc2cccc(F)c2)cc1C(=O)[O-] ZINC000584289372 601217477 /nfs/dbraw/zinc/21/74/77/601217477.db2.gz GOWAHMJQMUMHLA-VIFPVBQESA-N -2 3 357.359 2.171 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)COc2cccc(C)c2)cc1C(=O)[O-] ZINC000582299280 601217562 /nfs/dbraw/zinc/21/75/62/601217562.db2.gz FHVGATYHOKZETC-NSHDSACASA-N -2 3 353.396 2.340 20 0 FEADHL COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000577059029 601221175 /nfs/dbraw/zinc/22/11/75/601221175.db2.gz CFHHIPDBYDYRQQ-SNVBAGLBSA-N -2 3 353.396 2.204 20 0 FEADHL CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1(C)C ZINC000831526518 601239713 /nfs/dbraw/zinc/23/97/13/601239713.db2.gz HKLZNLZOQFINSK-BMIGLBTASA-N -2 3 363.382 2.145 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)ccc1F ZINC000747604510 601320294 /nfs/dbraw/zinc/32/02/94/601320294.db2.gz MXOXNPLQSXHQDY-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)o1 ZINC000833323411 601406274 /nfs/dbraw/zinc/40/62/74/601406274.db2.gz QJXZNMDBCCCMMJ-UHFFFAOYSA-N -2 3 353.249 2.013 20 0 FEADHL Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)s1 ZINC000322256220 601441402 /nfs/dbraw/zinc/44/14/02/601441402.db2.gz AHNUACRIHFYBCJ-SSDOTTSWSA-N -2 3 362.379 2.467 20 0 FEADHL CCc1cnc(C[N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)s1 ZINC000830295383 601582001 /nfs/dbraw/zinc/58/20/01/601582001.db2.gz KSMNOAUOTRJESS-UHFFFAOYSA-N -2 3 362.379 2.160 20 0 FEADHL C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000237684818 601608287 /nfs/dbraw/zinc/60/82/87/601608287.db2.gz QSZAQADEIOKHLA-IAQYHMDHSA-N -2 3 351.362 2.115 20 0 FEADHL O=C([O-])C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(Cl)cc1 ZINC000833264912 601733606 /nfs/dbraw/zinc/73/36/06/601733606.db2.gz KZPCZPSXSFQYKN-AWEZNQCLSA-N -2 3 372.764 2.169 20 0 FEADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000833319730 601833888 /nfs/dbraw/zinc/83/38/88/601833888.db2.gz QWDWGKDJJUEFIG-UHFFFAOYSA-N -3 3 374.733 2.071 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)[O-])cc1F ZINC000548246766 601882346 /nfs/dbraw/zinc/88/23/46/601882346.db2.gz JQPMXIYTNKRRGF-AWEZNQCLSA-N -2 3 355.362 2.247 20 0 FEADHL O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000833158292 601885956 /nfs/dbraw/zinc/88/59/56/601885956.db2.gz XUUKDCIUXVUDDM-GXTWGEPZSA-N -2 3 359.382 2.115 20 0 FEADHL O=C([O-])N1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000740515644 601984579 /nfs/dbraw/zinc/98/45/79/601984579.db2.gz JOWMIHIATPVPCQ-QMMMGPOBSA-N -2 3 368.242 2.199 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@@H]2C(=O)[O-])oc1C ZINC000547937589 601991536 /nfs/dbraw/zinc/99/15/36/601991536.db2.gz BHUPSUJXEFUESW-WCQYABFASA-N -2 3 373.427 2.077 20 0 FEADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1ccc(NC(=O)[O-])nc1 ZINC000740276020 602036813 /nfs/dbraw/zinc/03/68/13/602036813.db2.gz LOAHCQSCJIIMIM-UHFFFAOYSA-N -2 3 368.353 2.289 20 0 FEADHL CCc1cc(=O)[n-]c(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)n1 ZINC000652474255 602236374 /nfs/dbraw/zinc/23/63/74/602236374.db2.gz ZQHWKEPIDNLLDY-UHFFFAOYSA-N -2 3 351.353 2.500 20 0 FEADHL C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823716060 602806305 /nfs/dbraw/zinc/80/63/05/602806305.db2.gz WIRZGSLVDSHLSH-ABAIWWIYSA-N -2 3 366.381 2.450 20 0 FEADHL O=C([O-])NC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000740610841 603070845 /nfs/dbraw/zinc/07/08/45/603070845.db2.gz CGDHFDYCQJJRCD-SECBINFHSA-N -2 3 353.227 2.318 20 0 FEADHL C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000825442714 603189592 /nfs/dbraw/zinc/18/95/92/603189592.db2.gz NQUDBRPFJKOCOO-VIFPVBQESA-N -2 3 353.334 2.151 20 0 FEADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H]3CC[C@H](NC(=O)[O-])C3)c2)n1 ZINC000829893271 603473851 /nfs/dbraw/zinc/47/38/51/603473851.db2.gz FGIAODHJKDJPKQ-STQMWFEESA-N -2 3 357.366 2.499 20 0 FEADHL C[C@H](NC(=O)[O-])c1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000825422298 604002867 /nfs/dbraw/zinc/00/28/67/604002867.db2.gz HHADBNLNJBAHKP-NSHDSACASA-N -2 3 357.366 2.089 20 0 FEADHL Cc1nc(C)c(CC(=O)NCCN(C(=O)[O-])C2CCCCCC2)c(=O)[n-]1 ZINC000830715810 604267793 /nfs/dbraw/zinc/26/77/93/604267793.db2.gz JREZTAYXTBTMFB-UHFFFAOYSA-N -2 3 364.446 2.161 20 0 FEADHL C[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824697162 604295351 /nfs/dbraw/zinc/29/53/51/604295351.db2.gz ZSEFIAWHOUYEHS-WCQYABFASA-N -2 3 358.402 2.221 20 0 FEADHL C[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824697162 604295354 /nfs/dbraw/zinc/29/53/54/604295354.db2.gz ZSEFIAWHOUYEHS-WCQYABFASA-N -2 3 358.402 2.221 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ncccc1C(C)C ZINC000826279870 607695652 /nfs/dbraw/zinc/69/56/52/607695652.db2.gz FSLAOXBSDOVDFV-UHFFFAOYSA-N -2 3 358.427 2.494 20 0 FEADHL Cc1nc(C)c(CCC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c(=O)[n-]1 ZINC000833754655 604860881 /nfs/dbraw/zinc/86/08/81/604860881.db2.gz AKIBGUONOSZUOU-HNNXBMFYSA-N -2 3 355.394 2.337 20 0 FEADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c(Cl)c1 ZINC000833699982 605008242 /nfs/dbraw/zinc/00/82/42/605008242.db2.gz FTJPUBGXZXWTKO-UHFFFAOYSA-N -2 3 372.786 2.100 20 0 FEADHL Cc1sc2[n-]c([C@H](C)OC(=O)c3cnc(C(=O)[O-])cn3)nc(=O)c2c1C ZINC000833758633 605641878 /nfs/dbraw/zinc/64/18/78/605641878.db2.gz ITQFTPSAOKCZMI-ZETCQYMHSA-N -2 3 374.378 2.420 20 0 FEADHL CCOc1ccc(C[C@@H](CNC(=O)c2ccc(O)cc2[O-])C(=O)[O-])cc1 ZINC000833664669 605754343 /nfs/dbraw/zinc/75/43/43/605754343.db2.gz WBYPTRRXYPISBT-ZDUSSCGKSA-N -2 3 359.378 2.170 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589066 606865393 /nfs/dbraw/zinc/86/53/93/606865393.db2.gz LBFSSCAMJSDJKC-UHFFFAOYSA-N -2 3 373.291 2.224 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589066 606865395 /nfs/dbraw/zinc/86/53/95/606865395.db2.gz LBFSSCAMJSDJKC-UHFFFAOYSA-N -2 3 373.291 2.224 20 0 FEADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822202233 607026655 /nfs/dbraw/zinc/02/66/55/607026655.db2.gz RGFDZUHMJUZVAP-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826492817 607817418 /nfs/dbraw/zinc/81/74/18/607817418.db2.gz FYCPCPXZWYPYGD-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826492817 607817419 /nfs/dbraw/zinc/81/74/19/607817419.db2.gz FYCPCPXZWYPYGD-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825083045 608582189 /nfs/dbraw/zinc/58/21/89/608582189.db2.gz WXYFLGARNJCUKT-SNVBAGLBSA-N -2 3 361.431 2.143 20 0 FEADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825083045 608582190 /nfs/dbraw/zinc/58/21/90/608582190.db2.gz WXYFLGARNJCUKT-SNVBAGLBSA-N -2 3 361.431 2.143 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826299713 609264576 /nfs/dbraw/zinc/26/45/76/609264576.db2.gz REAJNJODHKIKQF-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826299713 609264578 /nfs/dbraw/zinc/26/45/78/609264578.db2.gz REAJNJODHKIKQF-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL COc1ccc(-c2nc(SC[C@H](C)OC)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000826181603 609448944 /nfs/dbraw/zinc/44/89/44/609448944.db2.gz GONCAVLUQJWOIU-VIFPVBQESA-N -2 3 374.426 2.165 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nn1[C@H](C)C1CC1 ZINC000826271306 609469357 /nfs/dbraw/zinc/46/93/57/609469357.db2.gz MLKDGVQQKLSCQZ-LLVKDONJSA-N -2 3 373.442 2.143 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nn1[C@H](C)C1CC1 ZINC000826271306 609469359 /nfs/dbraw/zinc/46/93/59/609469359.db2.gz MLKDGVQQKLSCQZ-LLVKDONJSA-N -2 3 373.442 2.143 20 0 FEADHL O=S(=O)([N-]c1ccccc1O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492816 609525285 /nfs/dbraw/zinc/52/52/85/609525285.db2.gz FXGSSCLVDFXVHA-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=S(=O)([N-]c1ccccc1O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492816 609525287 /nfs/dbraw/zinc/52/52/87/609525287.db2.gz FXGSSCLVDFXVHA-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL CCOc1cc([N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)c(C(=O)[O-])cc1OCC ZINC000563226992 674861553 /nfs/dbraw/zinc/86/15/53/674861553.db2.gz PCYJIPBJOSPMOK-MEBBXXQBSA-N -2 3 373.427 2.101 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2nccn2)cc1 ZINC000042791914 670169145 /nfs/dbraw/zinc/16/91/45/670169145.db2.gz GOHRYQDYFYLCAJ-UHFFFAOYSA-N -2 3 358.379 2.075 20 0 FEADHL Cc1c2cccc(F)c2oc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000047293476 670238384 /nfs/dbraw/zinc/23/83/84/670238384.db2.gz AFPJPRYSOFEOBU-UHFFFAOYSA-N -2 3 370.387 2.356 20 0 FEADHL Cc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2[O-])c([O-])c1 ZINC000066047837 670437236 /nfs/dbraw/zinc/43/72/36/670437236.db2.gz RSFGEDMWYOLVIL-UHFFFAOYSA-N -2 3 365.183 2.244 20 0 FEADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000569876029 670626425 /nfs/dbraw/zinc/62/64/25/670626425.db2.gz VQIPJTAPNYXCPC-YPMHNXCESA-N -2 3 366.361 2.412 20 0 FEADHL Cc1[n-][nH]c(=O)c1CCN=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1 ZINC000570001962 670646982 /nfs/dbraw/zinc/64/69/82/670646982.db2.gz MECTVEMEKGHYBG-LLVKDONJSA-N -2 3 354.197 2.389 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C1(c2ccc(F)cc2F)CCC1 ZINC000571638776 670904802 /nfs/dbraw/zinc/90/48/02/670904802.db2.gz YJZFPQLDZJNHJA-UHFFFAOYSA-N -2 3 374.390 2.477 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])Oc1cccc(C)c1 ZINC000574570742 671255805 /nfs/dbraw/zinc/25/58/05/671255805.db2.gz OEYPYNPWIYUPSL-LLVKDONJSA-N -2 3 370.452 2.286 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000576224550 671353250 /nfs/dbraw/zinc/35/32/50/671353250.db2.gz XBHDPKQXWCNLQR-NWDGAFQWSA-N -2 3 368.436 2.040 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-])c(F)cc1Br ZINC000578845936 671693459 /nfs/dbraw/zinc/69/34/59/671693459.db2.gz RCFOSCIFVWPAOS-SFYZADRCSA-N -2 3 368.224 2.284 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000579705815 671754861 /nfs/dbraw/zinc/75/48/61/671754861.db2.gz QHGUHCVGDKCUAL-GFCCVEGCSA-N -2 3 354.453 2.161 20 0 FEADHL CC[C@H](CC[N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000584764915 672213447 /nfs/dbraw/zinc/21/34/47/672213447.db2.gz OIKJSLWRWKZMGI-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)c[n-]1 ZINC000585730908 672227742 /nfs/dbraw/zinc/22/77/42/672227742.db2.gz PCPRWQBYFFKWEL-UHFFFAOYSA-N -2 3 367.427 2.422 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2ccccc2F)c(F)cc1F ZINC000184883406 672510305 /nfs/dbraw/zinc/51/03/05/672510305.db2.gz MHPNUGCPBCTMRM-UHFFFAOYSA-N -2 3 359.325 2.323 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)c[n-]1 ZINC000589976781 672551473 /nfs/dbraw/zinc/55/14/73/672551473.db2.gz LUIWKHNBWLUSOF-UHFFFAOYSA-N -2 3 366.424 2.305 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000681573052 672674532 /nfs/dbraw/zinc/67/45/32/672674532.db2.gz XKOBDXYVFLFPSL-LBPRGKRZSA-N -2 3 372.830 2.482 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)Cc1ccccc1 ZINC000681576601 672675991 /nfs/dbraw/zinc/67/59/91/672675991.db2.gz ALTPHCOJTHKQGD-GFCCVEGCSA-N -2 3 355.362 2.187 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCSC[C@@H](C)C(=O)[O-])c(F)cc1F ZINC000592449600 672804555 /nfs/dbraw/zinc/80/45/55/672804555.db2.gz KMQIJSJHODQNRM-SECBINFHSA-N -2 3 353.412 2.005 20 0 FEADHL Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)s1 ZINC000324311078 673045401 /nfs/dbraw/zinc/04/54/01/673045401.db2.gz MRIZDXLRZTYXJA-UHFFFAOYSA-N -2 3 362.379 2.215 20 0 FEADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(C)cc(F)c2C(=O)[O-])CC1 ZINC000596028749 673350637 /nfs/dbraw/zinc/35/06/37/673350637.db2.gz NRGJBSPPRZQNDB-UHFFFAOYSA-N -2 3 359.375 2.060 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(C)c2)c1 ZINC000538298893 673432564 /nfs/dbraw/zinc/43/25/64/673432564.db2.gz QWLCBKXLPHTMAR-UHFFFAOYSA-N -2 3 364.423 2.212 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-n3cnnc3C)c2)c1 ZINC000540496778 673543267 /nfs/dbraw/zinc/54/32/67/673543267.db2.gz TZDSNZNGPOJEEE-UHFFFAOYSA-N -2 3 360.395 2.091 20 0 FEADHL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)N1CCC(C)CC1 ZINC000547937775 673907268 /nfs/dbraw/zinc/90/72/68/673907268.db2.gz FJDLRXQOXXZDLG-UHFFFAOYSA-N -2 3 360.407 2.311 20 0 FEADHL COc1cc(OC)c([N-]S(=O)(=O)CCCC(F)(F)F)c(C(=O)[O-])c1 ZINC000548210276 673935132 /nfs/dbraw/zinc/93/51/32/673935132.db2.gz IWOZXAVAEANKMH-UHFFFAOYSA-N -2 3 371.333 2.486 20 0 FEADHL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)N1CCCC[C@@H]1C ZINC000548265589 673945235 /nfs/dbraw/zinc/94/52/35/673945235.db2.gz DSPZXJQJHAEAKA-JTQLQIEISA-N -2 3 360.407 2.454 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(O)cc2)c(F)cc1F ZINC000548533271 673966892 /nfs/dbraw/zinc/96/68/92/673966892.db2.gz GSVLDHDIYGGGPG-CQSZACIVSA-N -2 3 357.334 2.083 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])c(C)n2)c(F)cc1F ZINC000548540481 673968108 /nfs/dbraw/zinc/96/81/08/673968108.db2.gz PCVSOCFJDUYIIL-UHFFFAOYSA-N -2 3 356.350 2.153 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](Cc2cccc(Cl)c2)C(=O)[O-])s1 ZINC000548590862 673977270 /nfs/dbraw/zinc/97/72/70/673977270.db2.gz CDJWQMFTKVVBKB-LLVKDONJSA-N -2 3 374.871 2.333 20 0 FEADHL CCc1nc(SCC2=Nc3ccccc3S(=O)(=O)[N-]2)[n-]c(=O)c1C ZINC000566498975 675219488 /nfs/dbraw/zinc/21/94/88/675219488.db2.gz KWGRPDQWVGTUHF-UHFFFAOYSA-N -2 3 364.452 2.167 20 0 FEADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000819088317 675259412 /nfs/dbraw/zinc/25/94/12/675259412.db2.gz GHABKQNDQUKMMO-XVKPBYJWSA-N -2 3 355.243 2.412 20 0 FEADHL CCCOC1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCCCC1 ZINC000567382751 675289291 /nfs/dbraw/zinc/28/92/91/675289291.db2.gz WTTXUXKIYLFSDO-UHFFFAOYSA-N -2 3 362.473 2.249 20 0 FEADHL CC1(c2ccccc2)CC([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000567794058 675323569 /nfs/dbraw/zinc/32/35/69/675323569.db2.gz MUKGKIBJPILVFP-UHFFFAOYSA-N -2 3 352.437 2.240 20 0 FEADHL CC(F)(F)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000567864359 675330586 /nfs/dbraw/zinc/33/05/86/675330586.db2.gz DKBPYBNZEVMWHA-UHFFFAOYSA-N -2 3 358.160 2.081 20 0 FEADHL CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825266699 675644340 /nfs/dbraw/zinc/64/43/40/675644340.db2.gz GPIRGTBWYFJZQT-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825266699 675644341 /nfs/dbraw/zinc/64/43/41/675644341.db2.gz GPIRGTBWYFJZQT-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1-c1nn[n-]n1 ZINC000826289903 675685304 /nfs/dbraw/zinc/68/53/04/675685304.db2.gz RAKZMRXKNGAIFK-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL CCOC(=O)c1ncc(NC(=O)c2ccc(Br)cc2[O-])[n-]1 ZINC000618919885 676356774 /nfs/dbraw/zinc/35/67/74/676356774.db2.gz ZKOXRWRRCQEFEF-UHFFFAOYSA-N -2 3 354.160 2.307 20 0 FEADHL CCOC(=O)c1nc(NC(=O)c2ccc(Br)cc2[O-])c[n-]1 ZINC000618919885 676356775 /nfs/dbraw/zinc/35/67/75/676356775.db2.gz ZKOXRWRRCQEFEF-UHFFFAOYSA-N -2 3 354.160 2.307 20 0 FEADHL COC1(C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C(=O)[O-])CCC1 ZINC000650432919 677374045 /nfs/dbraw/zinc/37/40/45/677374045.db2.gz LOZWTNXFPGRQRR-LLVKDONJSA-N -2 3 365.810 2.170 20 0 FEADHL COCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761287883 680718108 /nfs/dbraw/zinc/71/81/08/680718108.db2.gz ONEYSLRQBPDCJK-SSDOTTSWSA-N -2 3 356.227 2.395 20 0 FEADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-])C1CC1 ZINC000656167900 677718702 /nfs/dbraw/zinc/71/87/02/677718702.db2.gz NUGVNECCYZSREV-RYUDHWBXSA-N -2 3 365.810 2.026 20 0 FEADHL CC[C@@H](C)CO[N-]C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000832727829 680170642 /nfs/dbraw/zinc/17/06/42/680170642.db2.gz YMQZHDRNOBDRSA-SECBINFHSA-N -2 3 369.270 2.366 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)cc1C(=O)[O-] ZINC000833026792 680187096 /nfs/dbraw/zinc/18/70/96/680187096.db2.gz KZCFWJHDPMEUBU-UHFFFAOYSA-N -2 3 361.322 2.366 20 0 FEADHL O=C(Nc1ncccc1[O-])c1cccc(I)c1[O-] ZINC000756203505 680466345 /nfs/dbraw/zinc/46/63/45/680466345.db2.gz KREBXTIFDXKMET-UHFFFAOYSA-N -2 3 356.119 2.350 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)CC1CC1 ZINC000844822718 681085563 /nfs/dbraw/zinc/08/55/63/681085563.db2.gz ZSTWYRWYKHGQRD-QMMMGPOBSA-N -2 3 353.227 2.168 20 0 FEADHL COC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC000775671831 681322980 /nfs/dbraw/zinc/32/29/80/681322980.db2.gz CEFFPZKRRNYCHC-UHFFFAOYSA-N -2 3 352.368 2.380 20 0 FEADHL O=C([O-])[C@@H](CCCc1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000776549834 681403219 /nfs/dbraw/zinc/40/32/19/681403219.db2.gz WUZUYSDMTRFPIC-CYBMUJFWSA-N -2 3 368.842 2.489 20 0 FEADHL COC[C@@](C)([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(=O)[O-] ZINC000851600787 682092651 /nfs/dbraw/zinc/09/26/51/682092651.db2.gz OACOPDSLUWBKQE-GFCCVEGCSA-N -2 3 366.158 2.147 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2)s1 ZINC000917729176 685534135 /nfs/dbraw/zinc/53/41/35/685534135.db2.gz AKADADLHXYWVAZ-LLVKDONJSA-N -2 3 369.420 2.029 20 0 FEADHL C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc(Cl)ccc2[O-])C1=O ZINC000785645193 682314441 /nfs/dbraw/zinc/31/44/41/682314441.db2.gz GKJFWSRYDFCYQQ-QGZVFWFLSA-N -2 3 359.769 2.158 20 0 FEADHL COc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])cc1F ZINC000926475479 683129784 /nfs/dbraw/zinc/12/97/84/683129784.db2.gz UGDBJSWUCJDJNQ-MRVPVSSYSA-N -2 3 351.371 2.141 20 0 FEADHL CC(C)OC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000863419020 683720805 /nfs/dbraw/zinc/72/08/05/683720805.db2.gz OMNDISYXLKKFLH-JTQLQIEISA-N -2 3 356.227 2.150 20 0 FEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC1(C)CC(F)(F)C1 ZINC000902986858 690827252 /nfs/dbraw/zinc/82/72/52/690827252.db2.gz AGAWQXAVSWROAW-UHFFFAOYSA-N -2 3 355.384 2.169 20 0 FEADHL CC(C)(C)c1nc([N-][C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)no1 ZINC000515003324 816059091 /nfs/dbraw/zinc/05/90/91/816059091.db2.gz JUVLVDVOKZVZMJ-QWHCGFSZSA-N -2 3 358.398 2.206 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc([O-])c(C(=O)NC(C)C)c2)cc1 ZINC000014048208 539593097 /nfs/dbraw/zinc/59/30/97/539593097.db2.gz WVMALPDHDAEUOX-UHFFFAOYSA-N -2 3 364.423 2.340 20 0 FEADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000041868125 540036706 /nfs/dbraw/zinc/03/67/06/540036706.db2.gz FWYGICHAXAFNHO-UHFFFAOYSA-N -2 3 366.402 2.098 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1[N-]S(C)(=O)=O ZINC000044259366 540121594 /nfs/dbraw/zinc/12/15/94/540121594.db2.gz NMFRFGUXHYYQLF-UHFFFAOYSA-N -2 3 370.452 2.176 20 0 FEADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000054333833 540583474 /nfs/dbraw/zinc/58/34/74/540583474.db2.gz KYAVDJSBLAUAEL-LURJTMIESA-N -2 3 356.625 2.102 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCC1 ZINC000551996935 674180032 /nfs/dbraw/zinc/18/00/32/674180032.db2.gz AMXKGZMCLFBWTJ-UHFFFAOYSA-N -2 3 352.437 2.343 20 0 FEADHL CS(=O)(=O)c1nc([N-]C(=O)c2sc3cc(F)ccc3c2Cl)n[n-]1 ZINC000116614558 543611775 /nfs/dbraw/zinc/61/17/75/543611775.db2.gz CGDDWJDOXUXROX-UHFFFAOYSA-N -2 3 374.806 2.468 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)sc1Br ZINC000126280284 543927961 /nfs/dbraw/zinc/92/79/61/543927961.db2.gz IRGJASWRROHOLW-YUMQZZPRSA-N -2 3 366.258 2.127 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@H](C)C(=O)[O-] ZINC000133254842 544261890 /nfs/dbraw/zinc/26/18/90/544261890.db2.gz JXUUQAPMJAXGCW-NKWVEPMBSA-N -2 3 370.652 2.490 20 0 FEADHL C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H](C)N1C(=O)c1ccccc1[O-] ZINC000187974414 328057665 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FEADHL CC(C)Oc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC000820161020 607365683 /nfs/dbraw/zinc/36/56/83/607365683.db2.gz SDZBXCXAZXFBNV-QWHCGFSZSA-N -2 3 371.397 2.259 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OC3CCCC3)nc2)o1 ZINC000740176469 599772797 /nfs/dbraw/zinc/77/27/97/599772797.db2.gz GRANOEMORUOZCK-UHFFFAOYSA-N -2 3 366.395 2.173 20 0 FEADHL CCN(CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1C ZINC000737103432 599773082 /nfs/dbraw/zinc/77/30/82/599773082.db2.gz JOPNESJAJJERDW-UHFFFAOYSA-N -2 3 352.412 2.091 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(=O)Nc2cccc3ccccc32)o1 ZINC000739307777 599777215 /nfs/dbraw/zinc/77/72/15/599777215.db2.gz BXBWHPYXKYGDJS-UHFFFAOYSA-N -2 3 374.374 2.048 20 0 FEADHL COc1cc(F)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1OC ZINC000737889066 600139240 /nfs/dbraw/zinc/13/92/40/600139240.db2.gz IUJMMIIWAJYULI-UHFFFAOYSA-N -2 3 361.372 2.403 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccncc2)o1 ZINC000740173358 600341778 /nfs/dbraw/zinc/34/17/78/600341778.db2.gz KDHFXOCTPLZGAP-MRXNPFEDSA-N -2 3 358.375 2.441 20 0 FEADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000737957346 600359722 /nfs/dbraw/zinc/35/97/22/600359722.db2.gz JVCTULYWONAPAF-OAHLLOKOSA-N -2 3 367.361 2.290 20 0 FEADHL C[C@@H](CN(Cc1ccccc1)C(=O)c1nnc2ccccc2c1[O-])C(=O)[O-] ZINC000237494967 600484085 /nfs/dbraw/zinc/48/40/85/600484085.db2.gz UMIIHDSWPVXROD-ZDUSSCGKSA-N -2 3 365.389 2.286 20 0 FEADHL O=C([O-])c1cc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)ccc1Cl ZINC000738500131 600509895 /nfs/dbraw/zinc/50/98/95/600509895.db2.gz DTULQMJOWBJPIL-UHFFFAOYSA-N -2 3 366.732 2.138 20 0 FEADHL CC(C)COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccco1 ZINC000826900354 600777579 /nfs/dbraw/zinc/77/75/79/600777579.db2.gz ARDPMDKWVNBCSU-ZDUSSCGKSA-N -2 3 370.427 2.009 20 0 FEADHL CCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)cn1 ZINC000547912148 600831021 /nfs/dbraw/zinc/83/10/21/600831021.db2.gz IYDUPYKQCGABAF-UHFFFAOYSA-N -2 3 374.216 2.165 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2)c1F ZINC000323999837 600990719 /nfs/dbraw/zinc/99/07/19/600990719.db2.gz FKQFOOLHIUZMFZ-UHFFFAOYSA-N -2 3 359.325 2.323 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)COc2cccc(C)c2)cc1C(=O)[O-] ZINC000582299279 601217515 /nfs/dbraw/zinc/21/75/15/601217515.db2.gz FHVGATYHOKZETC-LLVKDONJSA-N -2 3 353.396 2.340 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)cc1C(=O)[O-] ZINC000573798792 601219824 /nfs/dbraw/zinc/21/98/24/601219824.db2.gz MJZRKSKDEZHPON-ZBFHGGJFSA-N -2 3 365.407 2.485 20 0 FEADHL Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833019925 601237245 /nfs/dbraw/zinc/23/72/45/601237245.db2.gz HROBURUSKNOXAS-SSDOTTSWSA-N -2 3 374.365 2.177 20 0 FEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1 ZINC000833259813 601361902 /nfs/dbraw/zinc/36/19/02/601361902.db2.gz ZRSDDUGAGAKGAQ-UHFFFAOYSA-N -2 3 373.390 2.341 20 0 FEADHL CCCCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000829341648 601403740 /nfs/dbraw/zinc/40/37/40/601403740.db2.gz ZVSNYPSFIFLDSZ-SNVBAGLBSA-N -2 3 365.249 2.156 20 0 FEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c(F)c1 ZINC000831435304 601860994 /nfs/dbraw/zinc/86/09/94/601860994.db2.gz UNIJMDBKTBPDBL-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL O=C([O-])N1CCc2nc(NC(=O)c3nnc4ccccc4c3[O-])sc2C1 ZINC000740477211 602437155 /nfs/dbraw/zinc/43/71/55/602437155.db2.gz QXIKAHCIRGPRFF-UHFFFAOYSA-N -2 3 371.378 2.080 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCN(C(=O)[O-])C2)c1Cl ZINC000740133270 602569125 /nfs/dbraw/zinc/56/91/25/602569125.db2.gz PTKMFJWHFBQDME-QMMMGPOBSA-N -2 3 353.227 2.332 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)NC[C@H]3CCCN3C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000740211048 602595168 /nfs/dbraw/zinc/59/51/68/602595168.db2.gz XCIPQZDNFOHJND-CQSZACIVSA-N -2 3 371.397 2.422 20 0 FEADHL O=C([O-])Nc1ccc(C(=O)NCCN2CCc3ccccc3C2)c([O-])c1 ZINC000740697221 602847300 /nfs/dbraw/zinc/84/73/00/602847300.db2.gz AFHMHGZJJCMVSU-UHFFFAOYSA-N -2 3 355.394 2.270 20 0 FEADHL CCOC(=O)c1ccc(NC(=O)CC2CCN(C(=O)[O-])CC2)c([O-])c1 ZINC000739477227 603157551 /nfs/dbraw/zinc/15/75/51/603157551.db2.gz DEVQEPAEGPJUMY-UHFFFAOYSA-N -2 3 350.371 2.288 20 0 FEADHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000739928884 603239255 /nfs/dbraw/zinc/23/92/55/603239255.db2.gz YXAODWCFOFGISB-MRVPVSSYSA-N -2 3 353.227 2.414 20 0 FEADHL O=C([O-])N1CCC(n2cc(C(=O)[N-]c3c(F)cc(F)cc3F)nn2)CC1 ZINC000831753627 603546800 /nfs/dbraw/zinc/54/68/00/603546800.db2.gz VNPGUHPJJAWXOY-UHFFFAOYSA-N -2 3 369.303 2.263 20 0 FEADHL CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[C@@H](NC(=O)[O-])C2)c([O-])c1 ZINC000827344382 603625688 /nfs/dbraw/zinc/62/56/88/603625688.db2.gz XJKSSWVQTVYJBX-ZYHUDNBSSA-N -2 3 350.371 2.334 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CC[C@H](NC(=O)[O-])C3)cc2)n1 ZINC000829894595 603957861 /nfs/dbraw/zinc/95/78/61/603957861.db2.gz USXIALMMTPNICV-OCCSQVGLSA-N -2 3 356.382 2.120 20 0 FEADHL O=C([O-])c1cc(C(=O)NCc2ccc([O-])c(Br)c2)ccn1 ZINC000833145184 604372414 /nfs/dbraw/zinc/37/24/14/604372414.db2.gz GQYBYPVZLAUPHI-UHFFFAOYSA-N -2 3 351.156 2.178 20 0 FEADHL O=C([O-])C1(O)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000833785586 604750748 /nfs/dbraw/zinc/75/07/48/604750748.db2.gz GEVPNWZYRLSGES-UHFFFAOYSA-N -2 3 357.362 2.236 20 0 FEADHL Cc1cnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])o1 ZINC000833754041 605042980 /nfs/dbraw/zinc/04/29/80/605042980.db2.gz MKDYNINDNBZFCQ-UHFFFAOYSA-N -2 3 364.301 2.179 20 0 FEADHL Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833756058 605192959 /nfs/dbraw/zinc/19/29/59/605192959.db2.gz IWJQLSAYEPRUMB-UHFFFAOYSA-N -2 3 363.395 2.005 20 0 FEADHL C[C@@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833548425 605198478 /nfs/dbraw/zinc/19/84/78/605198478.db2.gz KAICXPLHHMXQIC-SWLSCSKDSA-N -2 3 364.423 2.092 20 0 FEADHL CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000833462024 605211013 /nfs/dbraw/zinc/21/10/13/605211013.db2.gz RNVDSJMDIBZGBX-CQSZACIVSA-N -2 3 367.423 2.058 20 0 FEADHL O=C([O-])N1CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000834077381 605425995 /nfs/dbraw/zinc/42/59/95/605425995.db2.gz IATZBCHQKUHLER-QMMMGPOBSA-N -2 3 353.227 2.272 20 0 FEADHL O=C([O-])Nc1cccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000834268608 605607776 /nfs/dbraw/zinc/60/77/76/605607776.db2.gz KEGRRUIGKYUROM-UHFFFAOYSA-N -2 3 355.394 2.440 20 0 FEADHL O=C([O-])N[C@H](CC(F)F)C(=O)Nc1ccc(Br)cc1[O-] ZINC000834136490 606012586 /nfs/dbraw/zinc/01/25/86/606012586.db2.gz UWPGGOXFNBBJKQ-SSDOTTSWSA-N -2 3 353.119 2.385 20 0 FEADHL O=C([O-])Nc1cnc(C(=O)[N-]c2nnc(C=Cc3ccco3)s2)cn1 ZINC000834279835 606039589 /nfs/dbraw/zinc/03/95/89/606039589.db2.gz ZEEHMVLGPBJLBT-ONEGZZNKSA-N -2 3 358.339 2.434 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Oc1ccccc1 ZINC000559152192 674530415 /nfs/dbraw/zinc/53/04/15/674530415.db2.gz IKDCTTCGIMBSSC-ZDUSSCGKSA-N -2 3 373.789 2.290 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c(C)s1 ZINC000822211627 606212233 /nfs/dbraw/zinc/21/22/33/606212233.db2.gz IDACYNKWUHVTKP-UHFFFAOYSA-N -2 3 351.413 2.051 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cccc2c1CCCC2 ZINC000823583445 606212400 /nfs/dbraw/zinc/21/24/00/606212400.db2.gz QRGSLGHULKGHDA-UHFFFAOYSA-N -2 3 371.422 2.252 20 0 FEADHL O=S(=O)([N-]c1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823583591 606637660 /nfs/dbraw/zinc/63/76/60/606637660.db2.gz VLGBTXQUOSTSJD-UHFFFAOYSA-N -2 3 368.378 2.323 20 0 FEADHL O=S(=O)([N-]c1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823583591 606637661 /nfs/dbraw/zinc/63/76/61/606637661.db2.gz VLGBTXQUOSTSJD-UHFFFAOYSA-N -2 3 368.378 2.323 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cnc1Cl ZINC000822210875 606638183 /nfs/dbraw/zinc/63/81/83/606638183.db2.gz UOFDLCYFDJFNJE-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cnc1Cl ZINC000822210875 606638184 /nfs/dbraw/zinc/63/81/84/606638184.db2.gz UOFDLCYFDJFNJE-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(C)n1 ZINC000822259474 606695969 /nfs/dbraw/zinc/69/59/69/606695969.db2.gz YAVZPPDKMSAMKK-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c(C)n1 ZINC000822259474 606695970 /nfs/dbraw/zinc/69/59/70/606695970.db2.gz YAVZPPDKMSAMKK-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000820698012 606886094 /nfs/dbraw/zinc/88/60/94/606886094.db2.gz PBJWRBYUXLXXRE-SCZZXKLOSA-N -2 3 357.386 2.002 20 0 FEADHL O=C([O-])c1cc(Cl)cc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823036722 607111048 /nfs/dbraw/zinc/11/10/48/607111048.db2.gz JKGYWLLQJTYUJS-UHFFFAOYSA-N -2 3 373.756 2.236 20 0 FEADHL CCCc1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000825351748 608489916 /nfs/dbraw/zinc/48/99/16/608489916.db2.gz IGHWJRTVNBICJB-UHFFFAOYSA-N -2 3 368.419 2.216 20 0 FEADHL CCCc1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000825351748 608489917 /nfs/dbraw/zinc/48/99/17/608489917.db2.gz IGHWJRTVNBICJB-UHFFFAOYSA-N -2 3 368.419 2.216 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2cccc(-c3nnn[n-]3)c2)c(C(=O)[O-])c1 ZINC000825565853 608666718 /nfs/dbraw/zinc/66/67/18/608666718.db2.gz YYTVNQYJBUIECO-VOTSOKGWSA-N -2 3 365.349 2.307 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2cccc(-c3nn[n-]n3)c2)c(C(=O)[O-])c1 ZINC000825565853 608666720 /nfs/dbraw/zinc/66/67/20/608666720.db2.gz YYTVNQYJBUIECO-VOTSOKGWSA-N -2 3 365.349 2.307 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(O)c1 ZINC000826291502 608885538 /nfs/dbraw/zinc/88/55/38/608885538.db2.gz JELZOVFZWDUGSW-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(O)c1 ZINC000826291502 608885541 /nfs/dbraw/zinc/88/55/41/608885541.db2.gz JELZOVFZWDUGSW-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824515059 609268001 /nfs/dbraw/zinc/26/80/01/609268001.db2.gz RTSQMZGEIKECKM-SSDOTTSWSA-N -2 3 363.299 2.481 20 0 FEADHL C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824515059 609268003 /nfs/dbraw/zinc/26/80/03/609268003.db2.gz RTSQMZGEIKECKM-SSDOTTSWSA-N -2 3 363.299 2.481 20 0 FEADHL COCc1ccccc1S(=O)(=O)[N-]c1cccc(C)c1-c1nn[n-]n1 ZINC000826165085 609448760 /nfs/dbraw/zinc/44/87/60/609448760.db2.gz FAKAIMSWRLAIEH-UHFFFAOYSA-N -2 3 359.411 2.122 20 0 FEADHL O=C(CCOc1ccccc1)[N-][N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000060838608 670389745 /nfs/dbraw/zinc/38/97/45/670389745.db2.gz BKAILGHQFJOIQQ-UHFFFAOYSA-N -2 3 372.805 2.258 20 0 FEADHL COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000565597312 675135368 /nfs/dbraw/zinc/13/53/68/675135368.db2.gz LQBDPISGVBMRQK-SNVBAGLBSA-N -2 3 370.452 2.007 20 0 FEADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)CCCCC2)no1 ZINC000574274766 671221228 /nfs/dbraw/zinc/22/12/28/671221228.db2.gz RRBDGLHTZSIULU-UHFFFAOYSA-N -2 3 371.440 2.276 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3c(F)cccc32)o1 ZINC000574914332 671285700 /nfs/dbraw/zinc/28/57/00/671285700.db2.gz JOLNZWXUNPVTJY-LLVKDONJSA-N -2 3 355.343 2.309 20 0 FEADHL Cc1cccc(C)c1OCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000566180303 675191045 /nfs/dbraw/zinc/19/10/45/675191045.db2.gz BRJSFEQYSHNESF-UHFFFAOYSA-N -2 3 353.396 2.342 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@](CC)(C(=O)[O-])c2ccccc2)s1 ZINC000577106640 671417260 /nfs/dbraw/zinc/41/72/60/671417260.db2.gz USBOWTHWGFSZBU-HNNXBMFYSA-N -2 3 354.453 2.374 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCCOc2c(F)cccc21 ZINC000583022150 672056098 /nfs/dbraw/zinc/05/60/98/672056098.db2.gz WGEUEYRSZQYYJN-JTQLQIEISA-N -2 3 372.399 2.173 20 0 FEADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000584101960 672155903 /nfs/dbraw/zinc/15/59/03/672155903.db2.gz WPUDVPPBSXMDOK-APPZFPTMSA-N -2 3 366.208 2.120 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Cc1ccccc1 ZINC000681577125 672676035 /nfs/dbraw/zinc/67/60/35/672676035.db2.gz LVHLNXHHLHQGDC-NSHDSACASA-N -2 3 373.352 2.326 20 0 FEADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000682896915 672797139 /nfs/dbraw/zinc/79/71/39/672797139.db2.gz XYDPRFWIGSQHJH-UHFFFAOYSA-N -2 3 374.340 2.320 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C1CCC1 ZINC000548234883 673939727 /nfs/dbraw/zinc/93/97/27/673939727.db2.gz FAHVMFROONXZCF-NSHDSACASA-N -2 3 366.208 2.120 20 0 FEADHL COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000548262138 673944431 /nfs/dbraw/zinc/94/44/31/673944431.db2.gz NYQNFSRSUSAGCX-UHFFFAOYSA-N -2 3 373.333 2.481 20 0 FEADHL COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1c(C)ccc(F)c1C(=O)[O-] ZINC000548534136 673966919 /nfs/dbraw/zinc/96/69/19/673966919.db2.gz IGDDTVUVGGWKRI-JQWIXIFHSA-N -2 3 373.402 2.306 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CCC1 ZINC000548560079 673972163 /nfs/dbraw/zinc/97/21/63/673972163.db2.gz PNLFYGGEDPCODC-NSHDSACASA-N -2 3 355.309 2.376 20 0 FEADHL C[C@@H]1CCC[C@@]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)(C(=O)[O-])C1 ZINC000548836903 674000170 /nfs/dbraw/zinc/00/01/70/674000170.db2.gz AVUHMGUFPKFEGT-RNCFNFMXSA-N -2 3 366.361 2.412 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1Cl ZINC000821910570 675459357 /nfs/dbraw/zinc/45/93/57/675459357.db2.gz DBVFVIPASGDARU-UHFFFAOYSA-N -2 3 371.831 2.391 20 0 FEADHL CCOC(=O)c1ncc(NC(=O)c2cccc(Br)c2[O-])[n-]1 ZINC000619446708 676376593 /nfs/dbraw/zinc/37/65/93/676376593.db2.gz UYTPBCFFUZVWOB-UHFFFAOYSA-N -2 3 354.160 2.307 20 0 FEADHL CCOC(=O)c1nc(NC(=O)c2cccc(Br)c2[O-])c[n-]1 ZINC000619446708 676376596 /nfs/dbraw/zinc/37/65/96/676376596.db2.gz UYTPBCFFUZVWOB-UHFFFAOYSA-N -2 3 354.160 2.307 20 0 FEADHL COCCOc1cc([N-]S(=O)(=O)c2cc([O-])cc(F)c2)ccc1OC ZINC000634786797 677082140 /nfs/dbraw/zinc/08/21/40/677082140.db2.gz WFCTWBYBMZXXCL-UHFFFAOYSA-N -2 3 371.386 2.366 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCC1 ZINC000645958315 677275870 /nfs/dbraw/zinc/27/58/70/677275870.db2.gz FJRTWFZKCBTTGT-UHFFFAOYSA-N -2 3 356.400 2.338 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC[C@@H]2CSc3ccccc3O2)c1 ZINC000646058092 677278211 /nfs/dbraw/zinc/27/82/11/677278211.db2.gz YYAJARZEEBBJOT-LLVKDONJSA-N -2 3 369.420 2.200 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)c2ccccc2)s1 ZINC000656518887 677763980 /nfs/dbraw/zinc/76/39/80/677763980.db2.gz BASQQZSSXBOTAJ-YGRLFVJLSA-N -2 3 354.453 2.241 20 0 FEADHL O=C([O-])C1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000659398984 678172428 /nfs/dbraw/zinc/17/24/28/678172428.db2.gz ZCFQUVCFVZNEMT-UHFFFAOYSA-N -2 3 357.204 2.209 20 0 FEADHL CC1(C)C[C@]1([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1 ZINC000663436111 678740711 /nfs/dbraw/zinc/74/07/11/678740711.db2.gz DFZWEUYXWWTOOW-HNNXBMFYSA-N -2 3 352.437 2.445 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)c(C)c1C(=O)[O-] ZINC000677124105 679655341 /nfs/dbraw/zinc/65/53/41/679655341.db2.gz MVDUXKGXNKTQRH-UHFFFAOYSA-N -2 3 366.370 2.040 20 0 FEADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)c(F)c1 ZINC000844686504 681073975 /nfs/dbraw/zinc/07/39/75/681073975.db2.gz BTXUVSGGSCUNDT-UHFFFAOYSA-N -2 3 373.402 2.068 20 0 FEADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000844787546 681082397 /nfs/dbraw/zinc/08/23/97/681082397.db2.gz WIRDSYRXUVSHCM-KYZUINATSA-N -2 3 350.799 2.043 20 0 FEADHL CCCSC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000776482837 681395310 /nfs/dbraw/zinc/39/53/10/681395310.db2.gz AKHBZZZAJBOYDN-ZETCQYMHSA-N -2 3 373.283 2.263 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCCC1 ZINC000776542247 681402247 /nfs/dbraw/zinc/40/22/47/681402247.db2.gz QKCJVVMUXQURIA-UHFFFAOYSA-N -2 3 353.227 2.312 20 0 FEADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)[N-]OC1CCCCC1 ZINC000779322585 681704506 /nfs/dbraw/zinc/70/45/06/681704506.db2.gz RLFZWCKVRGWOOS-UHFFFAOYSA-N -2 3 352.865 2.060 20 0 FEADHL O=C([O-])/C=C/C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000790588165 682686390 /nfs/dbraw/zinc/68/63/90/682686390.db2.gz BZEFDIXQDMQYKL-GORDUTHDSA-N -2 3 354.609 2.022 20 0 FEADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000793412624 682887521 /nfs/dbraw/zinc/88/75/21/682887521.db2.gz RNZQPIWEJZQYSR-UHFFFAOYSA-N -3 3 371.317 2.470 20 0 FEADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000793989788 682923855 /nfs/dbraw/zinc/92/38/55/682923855.db2.gz QWYMWEWXHUXZGW-MRVPVSSYSA-N -2 3 371.308 2.256 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)cc1C(=O)[O-] ZINC000794840643 682998504 /nfs/dbraw/zinc/99/85/04/682998504.db2.gz JRYQGWIJFPDLPL-UHFFFAOYSA-N -2 3 355.309 2.453 20 0 FEADHL CC(C)OC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000863418917 683720968 /nfs/dbraw/zinc/72/09/68/683720968.db2.gz KLZSIZIIQAAHDU-JTQLQIEISA-N -2 3 373.324 2.001 20 0 FEADHL COc1cc(S(=O)(=O)[N-]CCC(F)(F)F)c(Cl)cc1C(=O)[O-] ZINC000871896825 684876339 /nfs/dbraw/zinc/87/63/39/684876339.db2.gz CDYMKJDMMFXDCS-UHFFFAOYSA-N -2 3 361.725 2.278 20 0 FEADHL O=C(c1cc(Br)c(F)cc1[O-])N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898222351 690146492 /nfs/dbraw/zinc/14/64/92/690146492.db2.gz TXDVSHHTKAJCFG-ZETCQYMHSA-N -2 3 370.178 2.352 20 0 FEADHL O=C([O-])CC1CC([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000899932035 690442980 /nfs/dbraw/zinc/44/29/80/690442980.db2.gz YEVDPMLKSMCGEC-UHFFFAOYSA-N -2 3 371.308 2.256 20 0 FEADHL C[C@@]1(C(=O)[O-])C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCO1 ZINC000906007733 691212249 /nfs/dbraw/zinc/21/22/49/691212249.db2.gz BOEDFGZBWAJLEM-SDBXPKJASA-N -2 3 368.238 2.294 20 0 FEADHL COC[C@](C)([N-]C(=O)C(F)(F)c1cccc(Br)c1)C(=O)[O-] ZINC000907609305 691525878 /nfs/dbraw/zinc/52/58/78/691525878.db2.gz AKMPSGRKVPTYDJ-LBPRGKRZSA-N -2 3 366.158 2.147 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@H](Oc2ccccc2)C(=O)[O-])c(F)cc1F ZINC000549551121 674048922 /nfs/dbraw/zinc/04/89/22/674048922.db2.gz KSQGXUPJOUYFOV-AWEZNQCLSA-N -2 3 371.361 2.084 20 0 FEADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000024432852 539731352 /nfs/dbraw/zinc/73/13/52/539731352.db2.gz UXLOFVBUMUPEGI-UHFFFAOYSA-N -2 3 353.327 2.096 20 0 FEADHL COc1ccc(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)c([O-])c1 ZINC000029817228 539865058 /nfs/dbraw/zinc/86/50/58/539865058.db2.gz CMBDWTJMBKFOFF-UHFFFAOYSA-N -2 3 366.395 2.033 20 0 FEADHL O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000043764391 540108577 /nfs/dbraw/zinc/10/85/77/540108577.db2.gz XJPKCYKGNCTMCQ-UHFFFAOYSA-N -2 3 360.797 2.349 20 0 FEADHL Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000063878090 541190825 /nfs/dbraw/zinc/19/08/25/541190825.db2.gz AONPQZGOEJFGQF-UHFFFAOYSA-N -2 3 362.407 2.210 20 0 FEADHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000077383529 542375370 /nfs/dbraw/zinc/37/53/70/542375370.db2.gz XDIUKLWDIBHFBR-WDEREUQCSA-N -2 3 364.464 2.054 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)c(C)o1 ZINC000553662687 674277800 /nfs/dbraw/zinc/27/78/00/674277800.db2.gz WUKNCAOHPMHXEA-UHFFFAOYSA-N -2 3 362.766 2.247 20 0 FEADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)cc1 ZINC000189509795 328152172 /nfs/dbraw/zinc/15/21/72/328152172.db2.gz KVEAWCNPXCSOTH-UHFFFAOYSA-N -2 3 373.438 2.054 20 0 FEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000090932954 325369021 /nfs/dbraw/zinc/36/90/21/325369021.db2.gz LHUBZNZLIPWSNX-UHFFFAOYSA-N -2 3 350.780 2.112 20 0 FEADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2)c1 ZINC000237964149 328535833 /nfs/dbraw/zinc/53/58/33/328535833.db2.gz INLYRXLDFRQJRR-UHFFFAOYSA-N -2 3 363.420 2.111 20 0 FEADHL O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1ccc2n[n-]nc2c1 ZINC000119040950 326121002 /nfs/dbraw/zinc/12/10/02/326121002.db2.gz LIQKTELGBKHKQM-UHFFFAOYSA-N -2 3 360.320 2.353 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCSC2)cc(F)c1Cl ZINC000169172573 327088078 /nfs/dbraw/zinc/08/80/78/327088078.db2.gz LKCDSYLYGLYVJS-ZETCQYMHSA-N -2 3 353.824 2.351 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c(C)c1 ZINC000178218045 327572775 /nfs/dbraw/zinc/57/27/75/327572775.db2.gz FDESTCOCRPKUTJ-UHFFFAOYSA-N -2 3 373.438 2.298 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)[C@@H]2CCCOC2)c(SCCC(=O)[O-])c1 ZINC000274935024 329994296 /nfs/dbraw/zinc/99/42/96/329994296.db2.gz FASFKDXIKMIVCC-GFCCVEGCSA-N -2 3 359.469 2.483 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)[C@H]2CCCOC2)c(SCCC(=O)[O-])c1 ZINC000274935027 329994348 /nfs/dbraw/zinc/99/43/48/329994348.db2.gz FASFKDXIKMIVCC-LBPRGKRZSA-N -2 3 359.469 2.483 20 0 FEADHL C[C@H](CCC[N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000274955543 329996383 /nfs/dbraw/zinc/99/63/83/329996383.db2.gz INAXSJAMAFKYEW-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)cc1Cl ZINC000275052012 330005647 /nfs/dbraw/zinc/00/56/47/330005647.db2.gz SLUYXZUDQFRQED-JGVFFNPUSA-N -2 3 366.222 2.310 20 0 FEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000275064082 330006847 /nfs/dbraw/zinc/00/68/47/330006847.db2.gz VEGUZQFJHOIOIZ-SKDRFNHKSA-N -2 3 371.846 2.122 20 0 FEADHL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)[C@H]2CCCOC2)c1 ZINC000275282286 330030273 /nfs/dbraw/zinc/03/02/73/330030273.db2.gz OJCMQNZJKUOLGU-NSHDSACASA-N -2 3 364.217 2.068 20 0 FEADHL O=C([N-]c1n[n-]c(SCCO)n1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000155389866 545520523 /nfs/dbraw/zinc/52/05/23/545520523.db2.gz NPNRZAFLBCGUPG-UHFFFAOYSA-N -2 3 365.802 2.450 20 0 FEADHL CSc1nc(C)c(CCC(=O)N2CCCc3cccc([O-])c32)c(=O)[n-]1 ZINC000155627753 545550833 /nfs/dbraw/zinc/55/08/33/545550833.db2.gz RCXREZKQHIGSPX-UHFFFAOYSA-N -2 3 359.451 2.418 20 0 FEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000477408212 561144288 /nfs/dbraw/zinc/14/42/88/561144288.db2.gz VFTYASXUBNJXQK-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1F ZINC000479545967 561191679 /nfs/dbraw/zinc/19/16/79/561191679.db2.gz STKVMPXCKNSAKD-UHFFFAOYSA-N -3 3 355.343 2.347 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1F ZINC000481454322 561233060 /nfs/dbraw/zinc/23/30/60/561233060.db2.gz XUDXSICXAVKVAS-UHFFFAOYSA-N -2 3 354.359 2.299 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)ccc1[O-] ZINC000481564594 561236191 /nfs/dbraw/zinc/23/61/91/561236191.db2.gz GNIWECFACMZBSD-UHFFFAOYSA-N -2 3 374.378 2.201 20 0 FEADHL CCOC(=O)c1cc(NC(=O)c2ccc(Br)cc2[O-])n[n-]1 ZINC000180923266 547210374 /nfs/dbraw/zinc/21/03/74/547210374.db2.gz KGYMXPGPSUFADO-UHFFFAOYSA-N -2 3 354.160 2.307 20 0 FEADHL CCOC(=O)c1cc(NC(=O)c2ccc(Br)cc2[O-])[n-]n1 ZINC000180923266 547210379 /nfs/dbraw/zinc/21/03/79/547210379.db2.gz KGYMXPGPSUFADO-UHFFFAOYSA-N -2 3 354.160 2.307 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(F)c1 ZINC000484538321 561299312 /nfs/dbraw/zinc/29/93/12/561299312.db2.gz JZHIJVNYBYGFOD-UHFFFAOYSA-N -2 3 352.299 2.172 20 0 FEADHL CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)c1cccs1 ZINC000184872898 547891413 /nfs/dbraw/zinc/89/14/13/547891413.db2.gz HAKGXZRFOHLNLZ-GFCCVEGCSA-N -2 3 372.443 2.167 20 0 FEADHL CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(F)c([O-])c(F)c2)ccc1F ZINC000186443723 548136715 /nfs/dbraw/zinc/13/67/15/548136715.db2.gz YTJPMCTTYOKEQW-UHFFFAOYSA-N -2 3 360.313 2.433 20 0 FEADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000211117963 548667019 /nfs/dbraw/zinc/66/70/19/548667019.db2.gz PCZHFXQBOOJIPX-LBPRGKRZSA-N -2 3 368.224 2.367 20 0 FEADHL O=C([O-])CCN1CC[C@@H](c2ccc(F)cc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000262292426 549807397 /nfs/dbraw/zinc/80/73/97/549807397.db2.gz HRTXGNCOYDDGCR-QWHCGFSZSA-N -2 3 362.323 2.137 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]CCCCCC(=O)[O-])c(Cl)c1 ZINC000270408536 550270206 /nfs/dbraw/zinc/27/02/06/550270206.db2.gz BSWMUXPMWQMGML-UHFFFAOYSA-N -2 3 363.819 2.050 20 0 FEADHL COc1ccc2c(c1)C=C(S(=O)(=O)[N-]c1n[n-]c(SC)n1)CC2 ZINC000273358294 550495536 /nfs/dbraw/zinc/49/55/36/550495536.db2.gz DYDLUBKAWHJZNS-UHFFFAOYSA-N -2 3 352.441 2.264 20 0 FEADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc(C3CC3)cnc2Cl)s1 ZINC000280702047 551023266 /nfs/dbraw/zinc/02/32/66/551023266.db2.gz WKVDOFNMMSJAPC-UHFFFAOYSA-N -2 3 373.847 2.088 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1)[C@H]1CCOC1 ZINC000280993959 551052837 /nfs/dbraw/zinc/05/28/37/551052837.db2.gz LBVSRNHKDVAIIG-YUMQZZPRSA-N -2 3 368.238 2.395 20 0 FEADHL C[C@@H](CC[N-]S(=O)(=O)c1cccc(Br)c1F)CC(=O)[O-] ZINC000281757584 551139913 /nfs/dbraw/zinc/13/99/13/551139913.db2.gz FZMLHAZTFNWFDQ-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000282020150 551170403 /nfs/dbraw/zinc/17/04/03/551170403.db2.gz QHAQYQFMPTYQQB-SNVBAGLBSA-N -2 3 354.211 2.094 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c(Cl)c1Cl ZINC000282775090 551269081 /nfs/dbraw/zinc/26/90/81/551269081.db2.gz ICMYGTRJFPHUKH-UHFFFAOYSA-N -2 3 354.211 2.288 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000282940065 551287454 /nfs/dbraw/zinc/28/74/54/551287454.db2.gz IPTUPJNYYIPBNI-ZCFIWIBFSA-N -2 3 356.625 2.102 20 0 FEADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000285175455 551715801 /nfs/dbraw/zinc/71/58/01/551715801.db2.gz QCEFOEMMMJGJLA-NSHDSACASA-N -2 3 353.799 2.026 20 0 FEADHL Cc1cccc(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC000285485559 551763942 /nfs/dbraw/zinc/76/39/42/551763942.db2.gz OSBIKHZPVQJVGX-UHFFFAOYSA-N -2 3 352.387 2.138 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000287159767 551970976 /nfs/dbraw/zinc/97/09/76/551970976.db2.gz ITWYMMMBQZDXKF-UHFFFAOYSA-N -2 3 359.297 2.113 20 0 FEADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000290910229 552560214 /nfs/dbraw/zinc/56/02/14/552560214.db2.gz GGCLTSRBBUVGMD-SCSAIBSYSA-N -2 3 371.280 2.451 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000296880944 553224296 /nfs/dbraw/zinc/22/42/96/553224296.db2.gz FKZRPIYBSPQPKX-UHFFFAOYSA-N -2 3 368.636 2.246 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(C)c1OCC(=O)[O-] ZINC000504261653 561655254 /nfs/dbraw/zinc/65/52/54/561655254.db2.gz YAZNHJWJFPCJKM-UHFFFAOYSA-N -3 3 369.370 2.412 20 0 FEADHL Cc1nc(C[N-]S(=O)(=O)c2cccc3c2N=S=N3)sc1C(=O)[O-] ZINC000320526704 553765282 /nfs/dbraw/zinc/76/52/82/553765282.db2.gz BPFFXLYDGYOYRJ-UHFFFAOYSA-N -2 3 370.437 2.355 20 0 FEADHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)cc1C ZINC000324122454 553771160 /nfs/dbraw/zinc/77/11/60/553771160.db2.gz GYQWNYVWYRRTML-UHFFFAOYSA-N -2 3 356.400 2.277 20 0 FEADHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000325212485 553775225 /nfs/dbraw/zinc/77/52/25/553775225.db2.gz LNEFTVKMEYACHN-ZDUSSCGKSA-N -2 3 364.810 2.358 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)ccc1OCC(=O)[O-] ZINC000507003855 561713543 /nfs/dbraw/zinc/71/35/43/561713543.db2.gz ZJARUOWJNLHZPF-UHFFFAOYSA-N -2 3 363.391 2.289 20 0 FEADHL CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000331183204 554226948 /nfs/dbraw/zinc/22/69/48/554226948.db2.gz IEORSNIGTOLFFW-CYBMUJFWSA-N -2 3 364.464 2.054 20 0 FEADHL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000509187331 561789065 /nfs/dbraw/zinc/78/90/65/561789065.db2.gz WICWAUZOEZFVSV-UHFFFAOYSA-N -2 3 371.784 2.488 20 0 FEADHL CCCCCc1n[n-]c(=NC(=O)N=c2cc(OC(F)F)n(C)[n-]2)s1 ZINC000516638650 562052193 /nfs/dbraw/zinc/05/21/93/562052193.db2.gz VCWQNRWIJQCYRS-UHFFFAOYSA-N -2 3 360.390 2.094 20 0 FEADHL Cc1cc(C[N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)on1 ZINC000517379027 562087671 /nfs/dbraw/zinc/08/76/71/562087671.db2.gz PIQMCYNQUMSZRL-UHFFFAOYSA-N -2 3 368.411 2.014 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cncc(F)c1)C(C1CCC1)C1CCC1 ZINC000518580826 562114738 /nfs/dbraw/zinc/11/47/38/562114738.db2.gz YCXQRJMNYSZQCP-OAHLLOKOSA-N -2 3 356.419 2.169 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(F)cc1 ZINC000519149892 562126009 /nfs/dbraw/zinc/12/60/09/562126009.db2.gz OAZVZWBDYINVFF-UHFFFAOYSA-N -2 3 358.416 2.237 20 0 FEADHL O=C([O-])c1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000391959457 558615787 /nfs/dbraw/zinc/61/57/87/558615787.db2.gz YBZGFCOVLSJPSW-UHFFFAOYSA-N -2 3 370.770 2.425 20 0 FEADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000392126727 558615860 /nfs/dbraw/zinc/61/58/60/558615860.db2.gz XNJVJFUZMAZWOW-PELKAZGASA-N -2 3 367.826 2.414 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1OC ZINC000410380530 558753951 /nfs/dbraw/zinc/75/39/51/558753951.db2.gz IYJPATLFHJEQFA-UHFFFAOYSA-N -2 3 355.343 2.127 20 0 FEADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cnc2ccsc2c1)C(=O)[O-] ZINC000526061224 562265554 /nfs/dbraw/zinc/26/55/54/562265554.db2.gz AADDERVHMWQVGE-LLVKDONJSA-N -2 3 369.449 2.165 20 0 FEADHL CCCc1ncc(C[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)o1 ZINC000414327077 559156589 /nfs/dbraw/zinc/15/65/89/559156589.db2.gz BDPFZLWXGCHEHV-UHFFFAOYSA-N -2 3 356.375 2.251 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CC(C)(C)OCC2CC2)c1 ZINC000414401669 559161843 /nfs/dbraw/zinc/16/18/43/559161843.db2.gz ZSUZUSQSGNBPGI-UHFFFAOYSA-N -2 3 359.419 2.316 20 0 FEADHL Cc1cc(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)ccc1C(=O)[O-] ZINC000431674179 559843832 /nfs/dbraw/zinc/84/38/32/559843832.db2.gz CUGTVHCZLGUNNX-IBGZPJMESA-N -2 3 367.361 2.000 20 0 FEADHL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000433512699 559883376 /nfs/dbraw/zinc/88/33/76/559883376.db2.gz XBNCSNRHKXJBRF-UHFFFAOYSA-N -3 3 364.379 2.240 20 0 FEADHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000433598564 559884690 /nfs/dbraw/zinc/88/46/90/559884690.db2.gz GPDNRGGPRSNPIE-UHFFFAOYSA-N -2 3 374.415 2.012 20 0 FEADHL O=c1[nH]cc(S(=O)(=O)[N-]c2cc(Br)ccc2[O-])s1 ZINC000436479119 559942641 /nfs/dbraw/zinc/94/26/41/559942641.db2.gz UDBHFSKYDQRBKN-UHFFFAOYSA-N -2 3 351.203 2.118 20 0 FEADHL O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)cc1[O-] ZINC000436541449 559944910 /nfs/dbraw/zinc/94/49/10/559944910.db2.gz VHNRDWVLWQESIF-UHFFFAOYSA-N -2 3 365.109 2.222 20 0 FEADHL O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc(Br)cc1[O-] ZINC000436541449 559944911 /nfs/dbraw/zinc/94/49/11/559944911.db2.gz VHNRDWVLWQESIF-UHFFFAOYSA-N -2 3 365.109 2.222 20 0 FEADHL COc1ccc(C(=O)Nc2cc(C)ccc2[N-]S(C)(=O)=O)c([O-])c1 ZINC000436589082 559945898 /nfs/dbraw/zinc/94/58/98/559945898.db2.gz JRXFFKBFIAPPSF-UHFFFAOYSA-N -2 3 350.396 2.333 20 0 FEADHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccc2c(c1[O-])CCCC2 ZINC000436594944 559946259 /nfs/dbraw/zinc/94/62/59/559946259.db2.gz KPBNSXKDGXQMDN-UHFFFAOYSA-N -2 3 351.366 2.205 20 0 FEADHL C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(Cl)cc2[O-])ccc1F ZINC000436828805 559953484 /nfs/dbraw/zinc/95/34/84/559953484.db2.gz NIZIJSUCXVYBJI-UHFFFAOYSA-N -2 3 358.778 2.345 20 0 FEADHL O=C(NCc1ccc([O-])c(Br)c1)C(=O)c1ccc([O-])cc1 ZINC000436964084 559957617 /nfs/dbraw/zinc/95/76/17/559957617.db2.gz PFDHANKPECOTOQ-UHFFFAOYSA-N -2 3 350.168 2.359 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(N)=O)c2)cc1C(=O)[O-] ZINC000440825521 560019214 /nfs/dbraw/zinc/01/92/14/560019214.db2.gz WGKDIVIYIOIKLA-UHFFFAOYSA-N -2 3 362.407 2.155 20 0 FEADHL Cc1nc(C=Cc2ccc(OCC(=O)[O-])cc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443445172 560084288 /nfs/dbraw/zinc/08/42/88/560084288.db2.gz QKRFFURZIYPCJD-YWEYNIOJSA-N -3 3 358.350 2.142 20 0 FEADHL C[C@H]1CCN(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)C1 ZINC000471969216 561015186 /nfs/dbraw/zinc/01/51/86/561015186.db2.gz IFKXSKRFKDVIDF-QMMMGPOBSA-N -2 3 368.333 2.282 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000530153761 562400340 /nfs/dbraw/zinc/40/03/40/562400340.db2.gz PAXKDIHVIDMLAJ-JMJZKYOTSA-N -2 3 370.839 2.111 20 0 FEADHL O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000535766405 562567315 /nfs/dbraw/zinc/56/73/15/562567315.db2.gz OIVXZWHNQSJCTR-UHFFFAOYSA-N -2 3 350.371 2.224 20 0 FEADHL O=c1[n-]c(Oc2ccccc2-c2nnn[n-]2)nc2c1cnn2-c1ccccc1 ZINC000738373792 599254449 /nfs/dbraw/zinc/25/44/49/599254449.db2.gz HAFQHDOHCGQFOS-UHFFFAOYSA-N -2 3 372.348 2.494 20 0 FEADHL O=C([O-])c1ccc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000821545892 597411294 /nfs/dbraw/zinc/41/12/94/597411294.db2.gz WHNOKTHHLDEQJE-DEOSSOPVSA-N -2 3 360.313 2.348 20 0 FEADHL O=C([O-])c1ccc(C[S@@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000821545893 597411504 /nfs/dbraw/zinc/41/15/04/597411504.db2.gz WHNOKTHHLDEQJE-XMMPIXPASA-N -2 3 360.313 2.348 20 0 FEADHL O=S(=O)([N-]c1cccc2cccnc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738342139 598513766 /nfs/dbraw/zinc/51/37/66/598513766.db2.gz MEFDLUKKPGMCAD-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1c(F)cccc1F ZINC000738343335 598596051 /nfs/dbraw/zinc/59/60/51/598596051.db2.gz XMGUMLSZYOLUCP-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1c(F)cccc1F ZINC000738343335 598596052 /nfs/dbraw/zinc/59/60/52/598596052.db2.gz XMGUMLSZYOLUCP-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1cc(-c2cccs2)[nH]n1)c1cccc(-c2nn[n-]n2)c1 ZINC000738344864 598638354 /nfs/dbraw/zinc/63/83/54/598638354.db2.gz KKCYHRQUKKPAAZ-UHFFFAOYSA-N -2 3 373.423 2.119 20 0 FEADHL CC(C)Oc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC000820161018 607367038 /nfs/dbraw/zinc/36/70/38/607367038.db2.gz SDZBXCXAZXFBNV-OLZOCXBDSA-N -2 3 371.397 2.259 20 0 FEADHL CC(C)Oc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC000820161018 607367040 /nfs/dbraw/zinc/36/70/40/607367040.db2.gz SDZBXCXAZXFBNV-OLZOCXBDSA-N -2 3 371.397 2.259 20 0 FEADHL C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322993 599299098 /nfs/dbraw/zinc/29/90/98/599299098.db2.gz VOMJEFWZHPHBMM-GFCCVEGCSA-N -2 3 357.414 2.469 20 0 FEADHL C[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322993 599299100 /nfs/dbraw/zinc/29/91/00/599299100.db2.gz VOMJEFWZHPHBMM-GFCCVEGCSA-N -2 3 357.414 2.469 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2N2CCCC2)o1 ZINC000740176457 599773806 /nfs/dbraw/zinc/77/38/06/599773806.db2.gz FHWOROMWRZWVHI-UHFFFAOYSA-N -2 3 350.396 2.057 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)o1 ZINC000570798050 599777839 /nfs/dbraw/zinc/77/78/39/599777839.db2.gz QJDWFAQZDCQJSB-DOMZBBRYSA-N -2 3 351.380 2.176 20 0 FEADHL CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC000736343953 600245742 /nfs/dbraw/zinc/24/57/42/600245742.db2.gz LZYNDMCQYWYUTA-UHFFFAOYSA-N -2 3 365.407 2.335 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC000738690206 600678917 /nfs/dbraw/zinc/67/89/17/600678917.db2.gz SJQYNUFECZRMQK-UHFFFAOYSA-N -3 3 357.290 2.162 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000577219226 600798992 /nfs/dbraw/zinc/79/89/92/600798992.db2.gz XLUMMACSTBNGKU-SECBINFHSA-N -2 3 353.400 2.105 20 0 FEADHL Cc1nc(C)c(CC(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)c(=O)[n-]1 ZINC000832994036 600803523 /nfs/dbraw/zinc/80/35/23/600803523.db2.gz ABJBMEAXIKQMGR-CQSZACIVSA-N -2 3 363.801 2.327 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)cc1C(=O)[O-] ZINC000573798785 601219675 /nfs/dbraw/zinc/21/96/75/601219675.db2.gz MJZRKSKDEZHPON-GDBMZVCRSA-N -2 3 365.407 2.485 20 0 FEADHL Cc1cccc(OCC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000392178155 601229019 /nfs/dbraw/zinc/22/90/19/601229019.db2.gz YXODBPCELAFVLG-UHFFFAOYSA-N -2 3 371.361 2.329 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c1F ZINC000391960425 601231503 /nfs/dbraw/zinc/23/15/03/601231503.db2.gz YUWICOQVWPPLDV-SNVBAGLBSA-N -2 3 353.346 2.281 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)c1F ZINC000324657171 601232312 /nfs/dbraw/zinc/23/23/12/601232312.db2.gz BSCPCJLZDAKALO-CMPLNLGQSA-N -2 3 353.346 2.497 20 0 FEADHL CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000318653029 601238958 /nfs/dbraw/zinc/23/89/58/601238958.db2.gz XUEHUFHCAICVLD-JGVFFNPUSA-N -2 3 351.396 2.225 20 0 FEADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000831584494 601266136 /nfs/dbraw/zinc/26/61/36/601266136.db2.gz GNCIYARTCIVRMP-ZDUSSCGKSA-N -2 3 370.254 2.460 20 0 FEADHL C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000826037913 601603490 /nfs/dbraw/zinc/60/34/90/601603490.db2.gz BUYYPFCDEKWKFL-MEBBXXQBSA-N -2 3 367.361 2.154 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Oc1cccc(F)c1 ZINC000570678941 601835902 /nfs/dbraw/zinc/83/59/02/601835902.db2.gz KFBIBARIBZMNCH-LLVKDONJSA-N -2 3 357.359 2.253 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c1-c1nnn[n-]1 ZINC000826303818 607534708 /nfs/dbraw/zinc/53/47/08/607534708.db2.gz HCYKCYUACCUFKS-UHFFFAOYSA-N -2 3 368.422 2.468 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c1-c1nn[n-]n1 ZINC000826303818 607534710 /nfs/dbraw/zinc/53/47/10/607534710.db2.gz HCYKCYUACCUFKS-UHFFFAOYSA-N -2 3 368.422 2.468 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1-c1nnn[n-]1 ZINC000826304114 607535297 /nfs/dbraw/zinc/53/52/97/607535297.db2.gz WXAVWFCCUZIZAG-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1-c1nn[n-]n1 ZINC000826304114 607535299 /nfs/dbraw/zinc/53/52/99/607535299.db2.gz WXAVWFCCUZIZAG-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000576751759 602162927 /nfs/dbraw/zinc/16/29/27/602162927.db2.gz NIJHBMWMAXFUOU-OAHLLOKOSA-N -2 3 359.375 2.038 20 0 FEADHL Cc1cc(=O)[n-]c(CN[C@@](C)(C(=O)[O-])c2cccc(Br)c2)n1 ZINC000832899395 602311924 /nfs/dbraw/zinc/31/19/24/602311924.db2.gz NVSUNBFRDDWOLB-OAHLLOKOSA-N -2 3 366.215 2.343 20 0 FEADHL O=C([O-])N1CCC[C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000740512932 602316385 /nfs/dbraw/zinc/31/63/85/602316385.db2.gz REOJPMWGDPUART-VIFPVBQESA-N -2 3 350.799 2.147 20 0 FEADHL O=C([O-])NC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C1CC1 ZINC000740611800 603068655 /nfs/dbraw/zinc/06/86/55/603068655.db2.gz GUEDSMLBLAVBOB-GFCCVEGCSA-N -2 3 367.452 2.135 20 0 FEADHL O=C([O-])NC1CCC([N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000740559832 603087356 /nfs/dbraw/zinc/08/73/56/603087356.db2.gz NACJASXLUVOQJO-UHFFFAOYSA-N -2 3 350.799 2.336 20 0 FEADHL O=C([O-])N[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000740534559 603297423 /nfs/dbraw/zinc/29/74/23/603297423.db2.gz UCZWIDKWOFQTTQ-CYBMUJFWSA-N -2 3 372.772 2.468 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(CNC(=O)[O-])o3)cc2)n1 ZINC000829893534 603410837 /nfs/dbraw/zinc/41/08/37/603410837.db2.gz HHOFMOVGFORXIQ-UHFFFAOYSA-N -2 3 368.349 2.358 20 0 FEADHL Cc1ccc2c(n1)[n-]cc(C(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C)c2=O ZINC000830440416 603609314 /nfs/dbraw/zinc/60/93/14/603609314.db2.gz YMXUKQOTDJFKQF-AWEZNQCLSA-N -2 3 360.414 2.398 20 0 FEADHL Cn1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)C(=O)[O-])nc1Cl ZINC000833054062 604410782 /nfs/dbraw/zinc/41/07/82/604410782.db2.gz QMESVBDGYQVYMK-GFCCVEGCSA-N -2 3 371.846 2.204 20 0 FEADHL CC(C)(C)OC(=O)C1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000833431765 604702441 /nfs/dbraw/zinc/70/24/41/604702441.db2.gz CLTBTVLVVBIERO-UHFFFAOYSA-N -2 3 373.427 2.157 20 0 FEADHL COc1cc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(C)cc2)cc(OC)c1[O-] ZINC000833726443 605043423 /nfs/dbraw/zinc/04/34/23/605043423.db2.gz ATNYCHTWJWUQCB-CQSZACIVSA-N -2 3 359.378 2.316 20 0 FEADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1(CC)CC ZINC000577059543 605043643 /nfs/dbraw/zinc/04/36/43/605043643.db2.gz WUGRDPRJQAHFGD-WDEREUQCSA-N -2 3 362.473 2.103 20 0 FEADHL CC(C)[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)NC(=O)[O-] ZINC000824115742 605176196 /nfs/dbraw/zinc/17/61/96/605176196.db2.gz DYOMFWODOSZMMA-NSHDSACASA-N -2 3 374.235 2.246 20 0 FEADHL C[C@]1(C(=O)NCc2ccc([O-])c(Br)c2)CCN(C(=O)[O-])C1 ZINC000825673313 605413212 /nfs/dbraw/zinc/41/32/12/605413212.db2.gz OXCYXFPOSOZMRQ-AWEZNQCLSA-N -2 3 357.204 2.161 20 0 FEADHL O=C([O-])N1CCc2ncc(NC(=O)c3nnc4ccccc4c3[O-])cc2C1 ZINC000834057013 605916213 /nfs/dbraw/zinc/91/62/13/605916213.db2.gz BUGJTMLSRTWFGX-UHFFFAOYSA-N -2 3 365.349 2.019 20 0 FEADHL O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1c(F)cc([O-])cc1F ZINC000823426840 606130322 /nfs/dbraw/zinc/13/03/22/606130322.db2.gz NXFAZFWXMYAVOY-UHFFFAOYSA-N -2 3 350.256 2.347 20 0 FEADHL O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1c(F)cc([O-])cc1F ZINC000823426840 606130323 /nfs/dbraw/zinc/13/03/23/606130323.db2.gz NXFAZFWXMYAVOY-UHFFFAOYSA-N -2 3 350.256 2.347 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822328418 606864821 /nfs/dbraw/zinc/86/48/21/606864821.db2.gz PKSCHCIRSIXSDK-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822328418 606864822 /nfs/dbraw/zinc/86/48/22/606864822.db2.gz PKSCHCIRSIXSDK-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1c(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822066386 607251262 /nfs/dbraw/zinc/25/12/62/607251262.db2.gz DZLATJSCMKGHTR-AWEZNQCLSA-N -2 3 351.366 2.372 20 0 FEADHL Cc1c(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822066386 607251263 /nfs/dbraw/zinc/25/12/63/607251263.db2.gz DZLATJSCMKGHTR-AWEZNQCLSA-N -2 3 351.366 2.372 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2cc(-c3nnn[n-]3)cs2)c(C(=O)[O-])c1 ZINC000825565516 608386473 /nfs/dbraw/zinc/38/64/73/608386473.db2.gz UHOJRJLALOPHDT-ARJAWSKDSA-N -2 3 371.378 2.369 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2cc(-c3nn[n-]n3)cs2)c(C(=O)[O-])c1 ZINC000825565516 608386474 /nfs/dbraw/zinc/38/64/74/608386474.db2.gz UHOJRJLALOPHDT-ARJAWSKDSA-N -2 3 371.378 2.369 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2cc(-c3nnn[n-]3)cs2)c(C(=O)[O-])c1 ZINC000825565518 608386501 /nfs/dbraw/zinc/38/65/01/608386501.db2.gz UHOJRJLALOPHDT-ONEGZZNKSA-N -2 3 371.378 2.369 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2cc(-c3nn[n-]n3)cs2)c(C(=O)[O-])c1 ZINC000825565518 608386503 /nfs/dbraw/zinc/38/65/03/608386503.db2.gz UHOJRJLALOPHDT-ONEGZZNKSA-N -2 3 371.378 2.369 20 0 FEADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825081993 608582057 /nfs/dbraw/zinc/58/20/57/608582057.db2.gz OXQUZZIGYWCURS-JTQLQIEISA-N -2 3 361.431 2.143 20 0 FEADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825081993 608582059 /nfs/dbraw/zinc/58/20/59/608582059.db2.gz OXQUZZIGYWCURS-JTQLQIEISA-N -2 3 361.431 2.143 20 0 FEADHL O=S(=O)([N-]c1cnoc1-c1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826492935 609156618 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O=C([O-])c1nscc1S(=O)(=O)[N-]CC1(c2ccccc2)CCC1 ZINC000563075312 674845604 /nfs/dbraw/zinc/84/56/04/674845604.db2.gz QYFAGCGGNFZLSV-UHFFFAOYSA-N -2 3 352.437 2.242 20 0 FEADHL O=C([O-])COc1ccc(C=C2SC(=O)[N-]C2=O)cc1Br ZINC000106692178 670813092 /nfs/dbraw/zinc/81/30/92/670813092.db2.gz CRROFCAJRAVIET-WTKPLQERSA-N -2 3 358.169 2.236 20 0 FEADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000574905761 671285233 /nfs/dbraw/zinc/28/52/33/671285233.db2.gz DZZGFQOGJLXVLS-APPZFPTMSA-N -2 3 366.208 2.120 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2F)CC1 ZINC000566174680 675189943 /nfs/dbraw/zinc/18/99/43/675189943.db2.gz VYWYUEFUVZKWBJ-UHFFFAOYSA-N -2 3 374.390 2.130 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CC1(c2ccccc2)CCC1 ZINC000579706740 671754871 /nfs/dbraw/zinc/75/48/71/671754871.db2.gz XQVOCGMYADFCDD-UHFFFAOYSA-N -2 3 352.437 2.242 20 0 FEADHL COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000580190288 671789226 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CC(C)(C)OCc1cc(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)no1 ZINC000275190702 330020298 /nfs/dbraw/zinc/02/02/98/330020298.db2.gz XTDQCTORGGXFON-UHFFFAOYSA-N -2 3 368.411 2.166 20 0 FEADHL COC(=O)c1csc(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])c1 ZINC000275244726 330026006 /nfs/dbraw/zinc/02/60/06/330026006.db2.gz KPYLKCRBMHPSNH-UHFFFAOYSA-N -2 3 363.457 2.238 20 0 FEADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2ccc(C)cc2F)(C(=O)[O-])C1(C)C ZINC000275661881 330075692 /nfs/dbraw/zinc/07/56/92/330075692.db2.gz PCFOZCPVVKWQNK-CJNGLKHVSA-N -2 3 359.419 2.071 20 0 FEADHL CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(C(=O)[O-])s2)ccc1F ZINC000477632712 561149886 /nfs/dbraw/zinc/14/98/86/561149886.db2.gz BCOCVMROAWDPSI-UHFFFAOYSA-N -2 3 358.372 2.209 20 0 FEADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000159974376 545996920 /nfs/dbraw/zinc/99/69/20/545996920.db2.gz KIBRSYKAKHXSJE-UHFFFAOYSA-N -2 3 357.395 2.260 20 0 FEADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000159974376 545996923 /nfs/dbraw/zinc/99/69/23/545996923.db2.gz KIBRSYKAKHXSJE-UHFFFAOYSA-N -2 3 357.395 2.260 20 0 FEADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1F ZINC000479538421 561191628 /nfs/dbraw/zinc/19/16/28/561191628.db2.gz BNWRVUJOFPKNQM-UHFFFAOYSA-N -2 3 369.370 2.407 20 0 FEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc4ccc(O)cc43)ccc21 ZINC000484713413 561303892 /nfs/dbraw/zinc/30/38/92/561303892.db2.gz JDEULZJEKWNQFT-UHFFFAOYSA-N -2 3 368.370 2.230 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@@H](C)N2CCC(C)CC2)c1 ZINC000184967280 547909463 /nfs/dbraw/zinc/90/94/63/547909463.db2.gz KZGWUBKKJKLCHZ-CYBMUJFWSA-N -2 3 372.462 2.231 20 0 FEADHL Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)C2CC2)n1 ZINC000185065360 547926595 /nfs/dbraw/zinc/92/65/95/547926595.db2.gz UWVXYDQRXAXLJD-GFCCVEGCSA-N -2 3 356.425 2.481 20 0 FEADHL Cc1ccc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cc1C(=O)[O-] ZINC000486289743 561343448 /nfs/dbraw/zinc/34/34/48/561343448.db2.gz FLTPEIRWYNIRBH-UHFFFAOYSA-N -2 3 367.361 2.138 20 0 FEADHL O=C([O-])CCN1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000262292430 549807292 /nfs/dbraw/zinc/80/72/92/549807292.db2.gz HRTXGNCOYDDGCR-STQMWFEESA-N -2 3 362.323 2.137 20 0 FEADHL C[C@H](C(=O)[O-])N1CC[C@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000263571883 549909742 /nfs/dbraw/zinc/90/97/42/549909742.db2.gz KAPBGMYAIGPAJF-WQAKAFBOSA-N -2 3 362.323 2.135 20 0 FEADHL Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)s1 ZINC000273684629 550507896 /nfs/dbraw/zinc/50/78/96/550507896.db2.gz HXIVDWCCGGUNSV-UHFFFAOYSA-N -2 3 358.416 2.384 20 0 FEADHL C[C@@H]1C[C@@H](C(=O)Nc2ncccc2[O-])[C@@H](C(=O)Nc2ncccc2[O-])C1 ZINC000274936203 550565861 /nfs/dbraw/zinc/56/58/61/550565861.db2.gz ZMJHOXGELMOMBS-CNDDSTCGSA-N -2 3 356.382 2.127 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])c(Cl)c1 ZINC000274961748 550567914 /nfs/dbraw/zinc/56/79/14/550567914.db2.gz JEUVQYZUUKRXHA-SECBINFHSA-N -2 3 363.819 2.048 20 0 FEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2F)nc1C1CC1 ZINC000274980681 550569070 /nfs/dbraw/zinc/56/90/70/550569070.db2.gz LMXLMRKLWXGOIA-UHFFFAOYSA-N -2 3 368.361 2.414 20 0 FEADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000285044755 551695734 /nfs/dbraw/zinc/69/57/34/551695734.db2.gz JGQFGNYVOUOKQK-JTQLQIEISA-N -2 3 369.361 2.252 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2=CCCOC2)cc(Cl)c1Cl ZINC000287310937 551988193 /nfs/dbraw/zinc/98/81/93/551988193.db2.gz UJXZSNWVYXARDJ-UHFFFAOYSA-N -2 3 366.222 2.317 20 0 FEADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000287587502 552022103 /nfs/dbraw/zinc/02/21/03/552022103.db2.gz QEGRHMMPZDDRMO-QMMMGPOBSA-N -2 3 354.350 2.268 20 0 FEADHL CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000290760279 552533496 /nfs/dbraw/zinc/53/34/96/552533496.db2.gz ZIDBAOYREHNZJD-RQJHMYQMSA-N -2 3 356.227 2.393 20 0 FEADHL COc1ccc(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000293927616 552868555 /nfs/dbraw/zinc/86/85/55/552868555.db2.gz QDBBMEBDBLLODC-BXKDBHETSA-N -2 3 360.332 2.072 20 0 FEADHL COc1cc(OC)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(OC)c1 ZINC000504734558 561661744 /nfs/dbraw/zinc/66/17/44/561661744.db2.gz ZJPGWQOGKAWFKH-WAYWQWQTSA-N -2 3 360.366 2.314 20 0 FEADHL Cc1nc(C=Cc2cn(C)nc2-c2ccncc2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728550 561661771 /nfs/dbraw/zinc/66/17/71/561661771.db2.gz DQTZXZAHICUDIQ-ONEGZZNKSA-N -2 3 351.366 2.084 20 0 FEADHL COC(=O)[C@H](C)Oc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1 ZINC000504728613 561661805 /nfs/dbraw/zinc/66/18/05/561661805.db2.gz FJYWZGXXVLVMSF-PWWFUAJNSA-N -2 3 372.377 2.228 20 0 FEADHL O=C([O-])[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000325975895 553778822 /nfs/dbraw/zinc/77/88/22/553778822.db2.gz XKJTYAUKWSZPMA-ZDUSSCGKSA-N -2 3 373.789 2.159 20 0 FEADHL CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000327954805 553792456 /nfs/dbraw/zinc/79/24/56/553792456.db2.gz SQLMJGGWXWMKOX-UHFFFAOYSA-N -2 3 362.407 2.162 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cccc([C@@H]3CNC(=O)C3)c2)ccc1C(=O)[O-] ZINC000507932271 561746323 /nfs/dbraw/zinc/74/63/23/561746323.db2.gz CQIWCIQPJWUWAV-ZDUSSCGKSA-N -2 3 374.418 2.098 20 0 FEADHL C[C@]1(c2cccc(-c3noc(-c4ccc([O-])cc4F)n3)c2)NC(=O)[N-]C1=O ZINC000350573453 554798833 /nfs/dbraw/zinc/79/88/33/554798833.db2.gz GPPANJAPBGRKRW-GOSISDBHSA-N -2 3 368.324 2.303 20 0 FEADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)[N-]OCc1ccccc1 ZINC000377441291 558341234 /nfs/dbraw/zinc/34/12/34/558341234.db2.gz JDIYJGZZAASXHQ-UHFFFAOYSA-N -2 3 350.378 2.343 20 0 FEADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000392149256 558616085 /nfs/dbraw/zinc/61/60/85/558616085.db2.gz JNMKPUFSYHIYOE-UHFFFAOYSA-N -2 3 353.327 2.111 20 0 FEADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F)C(=O)[O-] ZINC000392447652 558617909 /nfs/dbraw/zinc/61/79/09/558617909.db2.gz BCTWILDEJWKQSX-UHFFFAOYSA-N -2 3 363.407 2.012 20 0 FEADHL O=C(Nc1ccncc1[O-])c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000409456294 558693396 /nfs/dbraw/zinc/69/33/96/558693396.db2.gz XOIOGTHHYDDEIV-UHFFFAOYSA-N -2 3 369.402 2.262 20 0 FEADHL NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000410377996 558753875 /nfs/dbraw/zinc/75/38/75/558753875.db2.gz ASVFUQBPWOQKNJ-UHFFFAOYSA-N -2 3 372.761 2.077 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1ccc2ncccc2c1 ZINC000525017978 562239433 /nfs/dbraw/zinc/23/94/33/562239433.db2.gz QXQHPYJYYNUJEV-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc2ncccc2c1 ZINC000525017978 562239434 /nfs/dbraw/zinc/23/94/34/562239434.db2.gz QXQHPYJYYNUJEV-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)ccc1Cl ZINC000432643909 559862386 /nfs/dbraw/zinc/86/23/86/559862386.db2.gz JBKCEYXURUBMQF-UHFFFAOYSA-N -2 3 366.782 2.033 20 0 FEADHL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433526814 559883663 /nfs/dbraw/zinc/88/36/63/559883663.db2.gz XDPRMMCLNZPVMB-UHFFFAOYSA-N -3 3 367.379 2.299 20 0 FEADHL COc1cc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)ccc1F ZINC000436150091 559936151 /nfs/dbraw/zinc/93/61/51/559936151.db2.gz IYSYCNCOSPPJOC-UHFFFAOYSA-N -2 3 354.359 2.299 20 0 FEADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000436679873 559948569 /nfs/dbraw/zinc/94/85/69/559948569.db2.gz MNGZNNCPVCCFHL-UHFFFAOYSA-N -3 3 365.363 2.206 20 0 FEADHL C[C@]1(c2ccc(CNC(=O)c3cc(Cl)ccc3[O-])cc2)NC(=O)[N-]C1=O ZINC000436700483 559949147 /nfs/dbraw/zinc/94/91/47/559949147.db2.gz WGAGYHSKBWCLDJ-GOSISDBHSA-N -2 3 373.796 2.030 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c(c2)OC(F)(F)O3)c1 ZINC000436892539 559955506 /nfs/dbraw/zinc/95/55/06/559955506.db2.gz KMFSRMMNMDYXEV-UHFFFAOYSA-N -3 3 373.289 2.213 20 0 FEADHL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc([O-])cc(Br)c1 ZINC000451109784 560287714 /nfs/dbraw/zinc/28/77/14/560287714.db2.gz ZDLKJHVWPKEYIC-LBPRGKRZSA-N -2 3 350.234 2.466 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ncc(C)cc2[O-])cc1OC ZINC000460191386 560737586 /nfs/dbraw/zinc/73/75/86/560737586.db2.gz ICOBBZQHEVLGDT-UHFFFAOYSA-N -2 3 365.411 2.118 20 0 FEADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1F ZINC000467923714 560919798 /nfs/dbraw/zinc/91/97/98/560919798.db2.gz ZQTLJEDJUYQIOS-UHFFFAOYSA-N -2 3 373.333 2.481 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)o1 ZINC000530153208 562400288 /nfs/dbraw/zinc/40/02/88/562400288.db2.gz MSFXTXQCSDIIQV-CUOATXAZSA-N -2 3 353.783 2.248 20 0 FEADHL CO[C@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)CC(=O)[O-] ZINC000530435263 562411172 /nfs/dbraw/zinc/41/11/72/562411172.db2.gz MBHNFKIXHVKTPT-JTQLQIEISA-N -2 3 363.844 2.323 20 0 FEADHL CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)cc21 ZINC000532286550 562472899 /nfs/dbraw/zinc/47/28/99/562472899.db2.gz LDTXLPLHWWNICL-UHFFFAOYSA-N -2 3 360.391 2.415 20 0 FEADHL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000533691313 562516225 /nfs/dbraw/zinc/51/62/25/562516225.db2.gz GOIYIMKZJHYKBX-AOOOYVTPSA-N -2 3 360.407 2.167 20 0 FEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1C(=O)[O-] ZINC000536392140 562574648 /nfs/dbraw/zinc/57/46/48/562574648.db2.gz VSSPCWCLAANMTP-UHFFFAOYSA-N -4 3 369.326 2.037 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CC1 ZINC000806636458 674384723 /nfs/dbraw/zinc/38/47/23/674384723.db2.gz OMEONCVGGCEELR-VIFPVBQESA-N -2 3 371.308 2.256 20 0 FEADHL CC(C)COc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000735844044 599196365 /nfs/dbraw/zinc/19/63/65/599196365.db2.gz FTQXDOUWSILDNM-UHFFFAOYSA-N -2 3 374.426 2.097 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC000822266926 599231015 /nfs/dbraw/zinc/23/10/15/599231015.db2.gz KKKZGDSBWKPHSM-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=S(=O)(C=Cc1ccccc1Cl)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000823557960 599232174 /nfs/dbraw/zinc/23/21/74/599232174.db2.gz WSLJPWJWHQWIOM-FPLPWBNLSA-N -2 3 362.802 2.328 20 0 FEADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000542935887 597717488 /nfs/dbraw/zinc/71/74/88/597717488.db2.gz CVEMWPYJLFCZDS-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL CCCC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736418325 598414969 /nfs/dbraw/zinc/41/49/69/598414969.db2.gz CLVXIMDZQTZSNB-VQHVLOKHSA-N -2 3 369.834 2.071 20 0 FEADHL CCCC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736418325 598414971 /nfs/dbraw/zinc/41/49/71/598414971.db2.gz CLVXIMDZQTZSNB-VQHVLOKHSA-N -2 3 369.834 2.071 20 0 FEADHL C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736188215 598762025 /nfs/dbraw/zinc/76/20/25/598762025.db2.gz JCPPZKZLLXMGCC-RQJHMYQMSA-N -2 3 355.807 2.053 20 0 FEADHL C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736188215 598762027 /nfs/dbraw/zinc/76/20/27/598762027.db2.gz JCPPZKZLLXMGCC-RQJHMYQMSA-N -2 3 355.807 2.053 20 0 FEADHL O=C(CCCC1CCCC1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822954998 599620984 /nfs/dbraw/zinc/62/09/84/599620984.db2.gz HVLHTHQLXQMYCJ-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL O=C(CCCC1CCCC1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822954998 599620985 /nfs/dbraw/zinc/62/09/85/599620985.db2.gz HVLHTHQLXQMYCJ-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL O=C([O-])c1cccn2cc(COC(=O)c3cc(-c4ccco4)[n-]n3)nc12 ZINC000740297617 599988228 /nfs/dbraw/zinc/98/82/28/599988228.db2.gz UIWYVGPBZZCQNQ-UHFFFAOYSA-N -2 3 352.306 2.373 20 0 FEADHL O=C([O-])c1cccn2cc(COC(=O)c3cc(-c4ccco4)n[n-]3)nc12 ZINC000740297617 599988232 /nfs/dbraw/zinc/98/82/32/599988232.db2.gz UIWYVGPBZZCQNQ-UHFFFAOYSA-N -2 3 352.306 2.373 20 0 FEADHL Cc1nc(C)c(CC(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c(=O)[n-]1 ZINC000738847037 600325698 /nfs/dbraw/zinc/32/56/98/600325698.db2.gz IOHDPNOSRVYSQF-AWEZNQCLSA-N -2 3 350.758 2.364 20 0 FEADHL O=C([O-])[C@H](CNC(=O)c1nnc2ccccc2c1[O-])Cc1cccc(F)c1 ZINC000739402978 600363255 /nfs/dbraw/zinc/36/32/55/600363255.db2.gz NTWBZZKMSHJGSF-LBPRGKRZSA-N -2 3 369.352 2.148 20 0 FEADHL COc1cc(-c2ccccc2)sc1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000737840500 600533688 /nfs/dbraw/zinc/53/36/88/600533688.db2.gz WRGIEXRZNWAJRD-UHFFFAOYSA-N -2 3 358.379 2.421 20 0 FEADHL O=C([O-])CCCOc1ccc(CNC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000739687365 600537186 /nfs/dbraw/zinc/53/71/86/600537186.db2.gz ZMCOJBTXJGINSP-UHFFFAOYSA-N -2 3 373.361 2.295 20 0 FEADHL Cc1csc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)CCCC2)n1 ZINC000582724355 600543392 /nfs/dbraw/zinc/54/33/92/600543392.db2.gz OUZNCGRPBYCXTR-UHFFFAOYSA-N -2 3 356.425 2.491 20 0 FEADHL COC(=O)c1sc2[n-]c(CS[C@H](C)CC(=O)[O-])nc(=O)c2c1C ZINC000737722758 600593263 /nfs/dbraw/zinc/59/32/63/600593263.db2.gz BQJKWWUSIMDFSY-ZCFIWIBFSA-N -2 3 356.425 2.176 20 0 FEADHL COc1cc(C=CC(=O)[O-])ccc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000737880539 600765166 /nfs/dbraw/zinc/76/51/66/600765166.db2.gz ZYFOHPWMGOSUQG-FNORWQNLSA-N -2 3 366.395 2.407 20 0 FEADHL O=C([O-])C[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(Cl)c1 ZINC000833200482 600804912 /nfs/dbraw/zinc/80/49/12/600804912.db2.gz PFNIONTYSLJBDH-CQSZACIVSA-N -2 3 372.764 2.169 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)cc1C(=O)[O-] ZINC000645960868 601219550 /nfs/dbraw/zinc/21/95/50/601219550.db2.gz SNVKLCIPAJBOJP-CYBMUJFWSA-N -2 3 351.380 2.478 20 0 FEADHL CCCC[C@H](COC)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000829286412 601237249 /nfs/dbraw/zinc/23/72/49/601237249.db2.gz TYDPMOGTUSBEJV-SECBINFHSA-N -2 3 351.371 2.147 20 0 FEADHL C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827428465 601239442 /nfs/dbraw/zinc/23/94/42/601239442.db2.gz WTIWFRXTQYVUSO-SNVBAGLBSA-N -2 3 372.393 2.301 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1ccc(C)o1 ZINC000831660468 601262480 /nfs/dbraw/zinc/26/24/80/601262480.db2.gz IUZUNVXJYYLGOZ-WGPYJDKQSA-N -2 3 365.407 2.352 20 0 FEADHL CCc1nc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)CCCC2)no1 ZINC000580889950 601265058 /nfs/dbraw/zinc/26/50/58/601265058.db2.gz CYVFEABEIBBCEH-UHFFFAOYSA-N -2 3 371.440 2.140 20 0 FEADHL Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)s1 ZINC000322335979 601441346 /nfs/dbraw/zinc/44/13/46/601441346.db2.gz AHNUACRIHFYBCJ-ZETCQYMHSA-N -2 3 362.379 2.467 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]Cc2cccc(OCC(=O)[O-])c2)cc1F ZINC000832887286 601882994 /nfs/dbraw/zinc/88/29/94/601882994.db2.gz NAULQIZXBLKDSL-UHFFFAOYSA-N -2 3 371.361 2.215 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1-c1nnn[n-]1 ZINC000826303943 607534613 /nfs/dbraw/zinc/53/46/13/607534613.db2.gz NRMIZWUXHJQPSH-UHFFFAOYSA-N -2 3 354.395 2.457 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1-c1nn[n-]n1 ZINC000826303943 607534614 /nfs/dbraw/zinc/53/46/14/607534614.db2.gz NRMIZWUXHJQPSH-UHFFFAOYSA-N -2 3 354.395 2.457 20 0 FEADHL CCc1ncsc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825755200 607535484 /nfs/dbraw/zinc/53/54/84/607535484.db2.gz SADISPFEPZJCGX-UHFFFAOYSA-N -2 3 370.847 2.340 20 0 FEADHL Cc1cc(=O)[n-]c(CS[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)n1 ZINC000832898890 601957972 /nfs/dbraw/zinc/95/79/72/601957972.db2.gz FVHOYSCQIUJZSS-JTQLQIEISA-N -2 3 365.436 2.289 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2ccccc2)c(Br)o1 ZINC000055313020 602139426 /nfs/dbraw/zinc/13/94/26/602139426.db2.gz SODZLVWSPJRFHU-UHFFFAOYSA-N -2 3 374.212 2.261 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(C)C ZINC000055329767 602148224 /nfs/dbraw/zinc/14/82/24/602148224.db2.gz UHCWPQRKVKAGDZ-ZETCQYMHSA-N -2 3 354.222 2.453 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CCCN(C(=O)[O-])C1 ZINC000832855824 602152893 /nfs/dbraw/zinc/15/28/93/602152893.db2.gz FAELKEPJMFPVSU-NSHDSACASA-N -2 3 356.375 2.301 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c(Br)o1 ZINC000088747499 602156053 /nfs/dbraw/zinc/15/60/53/602156053.db2.gz DIRKIKURPVRSPQ-SSDOTTSWSA-N -2 3 350.190 2.127 20 0 FEADHL CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000081043123 602157575 /nfs/dbraw/zinc/15/75/75/602157575.db2.gz PDRWCIIQISXXSJ-ZETCQYMHSA-N -2 3 354.222 2.311 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1 ZINC000563954351 602162861 /nfs/dbraw/zinc/16/28/61/602162861.db2.gz BLSVDYXNMSNRDC-UHFFFAOYSA-N -2 3 371.386 2.183 20 0 FEADHL C[C@@H](CC(=O)[O-])C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000827247516 602299781 /nfs/dbraw/zinc/29/97/81/602299781.db2.gz NNTKSHLHGLXBMH-JTQLQIEISA-N -2 3 368.817 2.334 20 0 FEADHL O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000740458577 602469832 /nfs/dbraw/zinc/46/98/32/602469832.db2.gz FOWHEHATUXYTAO-BNOWGMLFSA-N -2 3 356.386 2.116 20 0 FEADHL C[C@H](CC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)NC(=O)[O-] ZINC000738906254 602538869 /nfs/dbraw/zinc/53/88/69/602538869.db2.gz OXVLBSULMYXKTK-SNVBAGLBSA-N -2 3 355.441 2.135 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N[C@H]3CCN(C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000740207721 602573397 /nfs/dbraw/zinc/57/33/97/602573397.db2.gz JELUGPNBDACJLM-ZDUSSCGKSA-N -2 3 357.370 2.031 20 0 FEADHL O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000740517263 603057862 /nfs/dbraw/zinc/05/78/62/603057862.db2.gz OFAXSKIYTWLYKX-LSDHHAIUSA-N -2 3 370.409 2.473 20 0 FEADHL O=C([O-])NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000832483347 603130782 /nfs/dbraw/zinc/13/07/82/603130782.db2.gz RLUBRYXPNNTSNW-SFYZADRCSA-N -2 3 368.242 2.103 20 0 FEADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H]3CSCN3C(=O)[O-])c2)n1 ZINC000829894584 603473746 /nfs/dbraw/zinc/47/37/46/603473746.db2.gz URELMSUWLBKGJA-GFCCVEGCSA-N -2 3 361.379 2.116 20 0 FEADHL Cc1ccc2c(n1)[n-]cc(C(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)c2=O ZINC000830440417 603609335 /nfs/dbraw/zinc/60/93/35/603609335.db2.gz YMXUKQOTDJFKQF-CQSZACIVSA-N -2 3 360.414 2.398 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CC[C@H](NC(=O)[O-])C3)cc2)n1 ZINC000829894593 603957700 /nfs/dbraw/zinc/95/77/00/603957700.db2.gz USXIALMMTPNICV-JSGCOSHPSA-N -2 3 356.382 2.120 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c(C)o1 ZINC000831033906 604597309 /nfs/dbraw/zinc/59/73/09/604597309.db2.gz GMOMQWHBLXORHE-VIFPVBQESA-N -2 3 371.367 2.014 20 0 FEADHL CO[C@@H](C)c1nc(=NC(=O)c2cnc3c(C)cc(C)cc3c2[O-])s[n-]1 ZINC000559056882 674526026 /nfs/dbraw/zinc/52/60/26/674526026.db2.gz QPKGERMTJDDSPH-JTQLQIEISA-N -2 3 358.423 2.378 20 0 FEADHL COc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc(OC)c1[O-] ZINC000833727101 605040147 /nfs/dbraw/zinc/04/01/47/605040147.db2.gz PBUPFZWBUGCYFO-ZDUSSCGKSA-N -2 3 363.341 2.494 20 0 FEADHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1 ZINC000323069557 605302054 /nfs/dbraw/zinc/30/20/54/605302054.db2.gz OZGDJMISOLHELR-UHFFFAOYSA-N -2 3 356.787 2.389 20 0 FEADHL O=C([O-])Nc1cc2c(cc1NC(=O)c1cc3c(cc1[O-])OCO3)OCO2 ZINC000834256580 605655869 /nfs/dbraw/zinc/65/58/69/605655869.db2.gz NJRHILLUSPHSNU-UHFFFAOYSA-N -2 3 360.278 2.192 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1O ZINC000822328921 606656012 /nfs/dbraw/zinc/65/60/12/606656012.db2.gz VIOWYXHZBUOKIS-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1O ZINC000822328921 606656013 /nfs/dbraw/zinc/65/60/13/606656013.db2.gz VIOWYXHZBUOKIS-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cc1 ZINC000822266959 606751098 /nfs/dbraw/zinc/75/10/98/606751098.db2.gz LEGLDQBHCBNOBJ-UHFFFAOYSA-N -2 3 358.427 2.042 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589009 606865594 /nfs/dbraw/zinc/86/55/94/606865594.db2.gz HUAYABCQQXAMLZ-UHFFFAOYSA-N -2 3 373.291 2.224 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589009 606865596 /nfs/dbraw/zinc/86/55/96/606865596.db2.gz HUAYABCQQXAMLZ-UHFFFAOYSA-N -2 3 373.291 2.224 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1CC ZINC000825717967 607932826 /nfs/dbraw/zinc/93/28/26/607932826.db2.gz SCILIFDDHFOUAL-UHFFFAOYSA-N -2 3 364.456 2.249 20 0 FEADHL COc1ccc(CO[N-]C(=O)C(C)(C)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826206568 607972807 /nfs/dbraw/zinc/97/28/07/607972807.db2.gz ARZUURAEGCHDPT-UHFFFAOYSA-N -2 3 367.409 2.401 20 0 FEADHL COc1ccc(CO[N-]C(=O)C(C)(C)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826206568 607972808 /nfs/dbraw/zinc/97/28/08/607972808.db2.gz ARZUURAEGCHDPT-UHFFFAOYSA-N -2 3 367.409 2.401 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2scnc2C2CC2)c1-c1nnn[n-]1 ZINC000826303932 608095222 /nfs/dbraw/zinc/09/52/22/608095222.db2.gz MZZITNSKXFMLIW-UHFFFAOYSA-N -2 3 362.440 2.310 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2scnc2C2CC2)c1-c1nn[n-]n1 ZINC000826303932 608095223 /nfs/dbraw/zinc/09/52/23/608095223.db2.gz MZZITNSKXFMLIW-UHFFFAOYSA-N -2 3 362.440 2.310 20 0 FEADHL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000824371736 608107501 /nfs/dbraw/zinc/10/75/01/608107501.db2.gz QCWFMLXPEMFDBF-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL CC(C)n1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000824371736 608107502 /nfs/dbraw/zinc/10/75/02/608107502.db2.gz QCWFMLXPEMFDBF-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL CCC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)C(C)C ZINC000825225071 608185399 /nfs/dbraw/zinc/18/53/99/608185399.db2.gz KNJMMVZNOWANRH-CYBMUJFWSA-N -2 3 365.459 2.052 20 0 FEADHL CCC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(C)C ZINC000825225071 608185401 /nfs/dbraw/zinc/18/54/01/608185401.db2.gz KNJMMVZNOWANRH-CYBMUJFWSA-N -2 3 365.459 2.052 20 0 FEADHL Cc1nc(SCC(=O)[N-]OC2CCCC2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327400 608569098 /nfs/dbraw/zinc/56/90/98/608569098.db2.gz GFOLFDPIIHRBGL-UHFFFAOYSA-N -2 3 362.459 2.269 20 0 FEADHL Cc1nc(SCC(=O)[N-]OC2CCCC2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327400 608569100 /nfs/dbraw/zinc/56/91/00/608569100.db2.gz GFOLFDPIIHRBGL-UHFFFAOYSA-N -2 3 362.459 2.269 20 0 FEADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C3CCCCC3)s2)o1 ZINC000030571848 670112140 /nfs/dbraw/zinc/11/21/40/670112140.db2.gz RMAXBAJFTJSUAL-UHFFFAOYSA-N -2 3 370.456 2.339 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-]CCC[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000570992117 670798568 /nfs/dbraw/zinc/79/85/68/670798568.db2.gz ATEZGCSPZCHWOW-CQSZACIVSA-N -2 3 368.480 2.454 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)Oc1cccc(C)c1 ZINC000571281286 670848735 /nfs/dbraw/zinc/84/87/35/670848735.db2.gz PBHYZKDSIOPVOE-CYBMUJFWSA-N -2 3 353.396 2.422 20 0 FEADHL C[C@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000565949776 675163416 /nfs/dbraw/zinc/16/34/16/675163416.db2.gz XMOIFKPNLGLUQZ-ZANVPECISA-N -2 3 352.437 2.443 20 0 FEADHL C[C@@H](COC1CCCC1)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000566071201 675177962 /nfs/dbraw/zinc/17/79/62/675177962.db2.gz SBSKCEXNBOEYCA-NSHDSACASA-N -2 3 357.428 2.427 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2cccc(F)c2)C(=O)[O-])s1 ZINC000574396813 671235163 /nfs/dbraw/zinc/23/51/63/671235163.db2.gz ISTNPUUXQIRTMY-LLVKDONJSA-N -2 3 372.443 2.066 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2cccc(C(C)=O)c2[O-])CCCCC1 ZINC000574400345 671235892 /nfs/dbraw/zinc/23/58/92/671235892.db2.gz OSJCMKLHMFUVNR-UHFFFAOYSA-N -2 3 369.439 2.460 20 0 FEADHL CCc1cc(=O)[n-]c(CN(CCC(=O)[O-])Cc2cccc(F)c2F)n1 ZINC000576709869 671388963 /nfs/dbraw/zinc/38/89/63/671388963.db2.gz YUQWXAJROVBSIK-UHFFFAOYSA-N -2 3 351.353 2.500 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-])c(F)cc1Br ZINC000578845937 671693482 /nfs/dbraw/zinc/69/34/82/671693482.db2.gz RCFOSCIFVWPAOS-YUMQZZPRSA-N -2 3 368.224 2.284 20 0 FEADHL COc1ccc2c(c1)CCC[C@@H]2C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000580427526 671806471 /nfs/dbraw/zinc/80/64/71/671806471.db2.gz BEICPZAIPQPPGV-GFCCVEGCSA-N -2 3 365.407 2.385 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)cc1C(=O)[O-] ZINC000581724140 671930257 /nfs/dbraw/zinc/93/02/57/671930257.db2.gz PRRHVPCMASILOE-LBPRGKRZSA-N -2 3 355.343 2.227 20 0 FEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C1CC1 ZINC000161830233 672300038 /nfs/dbraw/zinc/30/00/38/672300038.db2.gz OOUQTWINDDAXLP-SNVBAGLBSA-N -2 3 366.208 2.120 20 0 FEADHL COc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1[N-]S(C)(=O)=O ZINC000681017169 672621517 /nfs/dbraw/zinc/62/15/17/672621517.db2.gz WXFJOQWZKICJIR-UHFFFAOYSA-N -2 3 354.359 2.164 20 0 FEADHL C=CCN(CC(=O)[O-])C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000191263557 672662660 /nfs/dbraw/zinc/66/26/60/672662660.db2.gz NQLNQCFBWVMDJM-UHFFFAOYSA-N -2 3 365.183 2.003 20 0 FEADHL Cc1nc(Cl)ccc1NC(=O)C(=O)[N-]N=c1cnc2ccccc2[n-]1 ZINC000193307568 672719321 /nfs/dbraw/zinc/71/93/21/672719321.db2.gz YWMROQWHECZEAY-UHFFFAOYSA-N -2 3 356.773 2.068 20 0 FEADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000312457193 673028773 /nfs/dbraw/zinc/02/87/73/673028773.db2.gz YDDNDQUDWHQFSJ-JTQLQIEISA-N -2 3 366.208 2.120 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2C)c1 ZINC000539399873 673488475 /nfs/dbraw/zinc/48/84/75/673488475.db2.gz HQEPGBBMXUNLNW-UHFFFAOYSA-N -2 3 350.396 2.468 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c(O)c1 ZINC000539941139 673514892 /nfs/dbraw/zinc/51/48/92/673514892.db2.gz LEQLOEFYFUIUSO-UHFFFAOYSA-N -2 3 374.415 2.012 20 0 FEADHL O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000547559150 673863400 /nfs/dbraw/zinc/86/34/00/673863400.db2.gz YFZQALLSXLKACF-SCZZXKLOSA-N -2 3 368.238 2.152 20 0 FEADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cs1)C(=O)[O-] ZINC000547613116 673874234 /nfs/dbraw/zinc/87/42/34/673874234.db2.gz YDHJVOOJTTUWDD-KOLCDFICSA-N -2 3 363.457 2.093 20 0 FEADHL O=C([O-])c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000547869462 673894980 /nfs/dbraw/zinc/89/49/80/673894980.db2.gz JQXJLFAJOSYDPL-VIFPVBQESA-N -2 3 353.318 2.324 20 0 FEADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000547914480 673903722 /nfs/dbraw/zinc/90/37/22/673903722.db2.gz GGATXJBAGNKGPG-VXGBXAGGSA-N -2 3 350.421 2.118 20 0 FEADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000548268632 673945788 /nfs/dbraw/zinc/94/57/88/673945788.db2.gz FPLYNBJLXGOXMV-GFCCVEGCSA-N -2 3 354.453 2.445 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000548537456 673967690 /nfs/dbraw/zinc/96/76/90/673967690.db2.gz XRZCQCPYIKTNGO-GFCCVEGCSA-N -2 3 372.830 2.167 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2ccc(F)cc2)C(=O)[O-])c(F)cc1F ZINC000548554871 673970761 /nfs/dbraw/zinc/97/07/61/673970761.db2.gz CXBGEEIUQWRQQS-AWEZNQCLSA-N -2 3 373.352 2.387 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCC1 ZINC000548771231 673994379 /nfs/dbraw/zinc/99/43/79/673994379.db2.gz PWRIKQPSEXYNMY-UHFFFAOYSA-N -2 3 368.636 2.388 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@]1(CC(=O)[O-])CCCOC1 ZINC000819107944 675261045 /nfs/dbraw/zinc/26/10/45/675261045.db2.gz RZHXWTJEFSTTTE-INIZCTEOSA-N -2 3 371.386 2.183 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000567104288 675267057 /nfs/dbraw/zinc/26/70/57/675267057.db2.gz JZANQCUEXRTRGA-QMTHXVAHSA-N -2 3 371.386 2.038 20 0 FEADHL O=C([O-])c1ccn(-c2ccccc2[N-]S(=O)(=O)CCC(F)(F)F)n1 ZINC000568334062 675366413 /nfs/dbraw/zinc/36/64/13/675366413.db2.gz RLVJEZPAPKBCEO-UHFFFAOYSA-N -2 3 363.317 2.265 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000825642880 675662015 /nfs/dbraw/zinc/66/20/15/675662015.db2.gz CQDDAXGWXSXEQD-UHFFFAOYSA-N -2 3 359.411 2.375 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1-c1nn[n-]n1 ZINC000826299586 675685783 /nfs/dbraw/zinc/68/57/83/675685783.db2.gz LWINFKHYFBZXJN-UHFFFAOYSA-N -2 3 355.423 2.465 20 0 FEADHL O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccc(F)cc1-c1nn[n-]n1 ZINC000826486503 675689069 /nfs/dbraw/zinc/68/90/69/675689069.db2.gz FIQJNVIUSYFKRN-UHFFFAOYSA-N -2 3 369.328 2.226 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c[n-]1 ZINC000618906958 676356240 /nfs/dbraw/zinc/35/62/40/676356240.db2.gz CNQCPWAVLIXTQM-UHFFFAOYSA-N -2 3 363.317 2.406 20 0 FEADHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000630434175 676900798 /nfs/dbraw/zinc/90/07/98/676900798.db2.gz JLUJXNIJGQUTAX-KYZUINATSA-N -2 3 352.334 2.022 20 0 FEADHL CCc1cc(C[N-]S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)on1 ZINC000761289917 680718117 /nfs/dbraw/zinc/71/81/17/680718117.db2.gz WZUWTEUQLIUYDY-UHFFFAOYSA-N -2 3 362.766 2.206 20 0 FEADHL O=C([O-])c1sccc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000656181158 677724925 /nfs/dbraw/zinc/72/49/25/677724925.db2.gz PUOYFVPNQNUKAV-IONNQARKSA-N -2 3 373.374 2.225 20 0 FEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])[C@H]1CCOC1 ZINC000656625152 677790960 /nfs/dbraw/zinc/79/09/60/677790960.db2.gz XELWXHGESAIMKM-ZANVPECISA-N -2 3 369.361 2.204 20 0 FEADHL Cc1nc(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)c(-c2ccccc2)s1 ZINC000663285230 678713639 /nfs/dbraw/zinc/71/36/39/678713639.db2.gz DPFAOWNBEUCBSV-CHWSQXEVSA-N -2 3 364.448 2.426 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)c1F ZINC000663293552 678717768 /nfs/dbraw/zinc/71/77/68/678717768.db2.gz JLJDNTJCFSTMNV-VIFPVBQESA-N -2 3 357.325 2.456 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)(C)C)oc1C(=O)[O-] ZINC000663422897 678735146 /nfs/dbraw/zinc/73/51/46/678735146.db2.gz IIZOSXUTERYLPP-SMDDNHRTSA-N -2 3 359.444 2.406 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)oc1C(=O)[O-] ZINC000663422765 678735400 /nfs/dbraw/zinc/73/54/00/678735400.db2.gz LKXSOUBJOOEZPQ-ZFWWWQNUSA-N -2 3 365.407 2.485 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000663425358 678736192 /nfs/dbraw/zinc/73/61/92/678736192.db2.gz RYPFSIATXQKMON-KGLIPLIRSA-N -2 3 365.407 2.485 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CC[C@H](C)C(=O)[O-])c(F)cc1Br ZINC000840785184 680842825 /nfs/dbraw/zinc/84/28/25/680842825.db2.gz NHRHBTTVBGUUEU-ZETCQYMHSA-N -2 3 368.224 2.286 20 0 FEADHL CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000840892088 680850063 /nfs/dbraw/zinc/85/00/63/680850063.db2.gz XXLPSVRBBLJKPB-UHFFFAOYSA-N -2 3 356.375 2.170 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc3c2CCN3C(C)=O)c1 ZINC000768886782 680963497 /nfs/dbraw/zinc/96/34/97/680963497.db2.gz MYJZGGRXSYHOOL-UHFFFAOYSA-N -2 3 362.407 2.111 20 0 FEADHL COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000846767086 681286644 /nfs/dbraw/zinc/28/66/44/681286644.db2.gz CZGMPTJTGKMOST-SECBINFHSA-N -2 3 365.398 2.393 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])Cc2ccccc2)s1 ZINC000776613138 681416941 /nfs/dbraw/zinc/41/69/41/681416941.db2.gz HYEOEUXRQXTBIU-GFCCVEGCSA-N -2 3 354.453 2.070 20 0 FEADHL CC(C)C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-] ZINC000780687690 681860397 /nfs/dbraw/zinc/86/03/97/681860397.db2.gz HUQNABQEQQYVLV-NSHDSACASA-N -2 3 359.220 2.453 20 0 FEADHL Cc1nc2cc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)[N-]C4=O)ccc2s1 ZINC000781116830 681903198 /nfs/dbraw/zinc/90/31/98/681903198.db2.gz JNYRHTIWWSISBY-UHFFFAOYSA-N -2 3 373.415 2.289 20 0 FEADHL CC(C)=CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000790247498 682662397 /nfs/dbraw/zinc/66/23/97/682662397.db2.gz JQRVYDYMQKPOGX-UHFFFAOYSA-N -2 3 354.247 2.453 20 0 FEADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000793348778 682883813 /nfs/dbraw/zinc/88/38/13/682883813.db2.gz DURJOJHKIQCDNX-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000794916997 683002952 /nfs/dbraw/zinc/00/29/52/683002952.db2.gz RVFFIMMPBRQHJX-MRVPVSSYSA-N -2 3 353.227 2.310 20 0 FEADHL COc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])cc1F ZINC000926455315 683127253 /nfs/dbraw/zinc/12/72/53/683127253.db2.gz GOHZZYXLSDIFJI-SECBINFHSA-N -2 3 351.371 2.285 20 0 FEADHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC000864443300 683853727 /nfs/dbraw/zinc/85/37/27/683853727.db2.gz XREZVFICUTWQDM-ZKCHVHJHSA-N -2 3 353.227 2.310 20 0 FEADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000871995490 684907638 /nfs/dbraw/zinc/90/76/38/684907638.db2.gz ZDZLPCRDYCVBBY-KGYLQXTDSA-N -2 3 353.783 2.248 20 0 FEADHL O=C(c1ccc(Br)cc1[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898213615 690145275 /nfs/dbraw/zinc/14/52/75/690145275.db2.gz XMMXYHAVYWLEST-MRVPVSSYSA-N -2 3 352.188 2.213 20 0 FEADHL O=C([O-])C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000899946034 690446567 /nfs/dbraw/zinc/44/65/67/690446567.db2.gz ZPLZLAVOKWTCGG-SCZZXKLOSA-N -2 3 368.238 2.152 20 0 FEADHL CCOCc1nc(C)cc(=N[N-]S(=O)(=O)c2cc(Cl)ccc2F)[n-]1 ZINC000901739396 690686071 /nfs/dbraw/zinc/68/60/71/690686071.db2.gz ONDORCUZPLDISF-UHFFFAOYSA-N -2 3 374.825 2.419 20 0 FEADHL O=C([O-])CC1CC([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000903042832 690838320 /nfs/dbraw/zinc/83/83/20/690838320.db2.gz JBWKYIGMYPPAQY-UHFFFAOYSA-N -2 3 352.437 2.342 20 0 FEADHL O=C([O-])C[C@H](NCc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC000904053161 690998660 /nfs/dbraw/zinc/99/86/60/690998660.db2.gz FCUPTGYJUSIZHI-VIFPVBQESA-N -2 3 368.130 2.068 20 0 FEADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000906987393 691361822 /nfs/dbraw/zinc/36/18/22/691361822.db2.gz PUBFQYFVDSQSAM-NSHDSACASA-N -2 3 353.318 2.013 20 0 FEADHL O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000910237491 691904860 /nfs/dbraw/zinc/90/48/60/691904860.db2.gz UKEKUMAECPWPKI-TVQRCGJNSA-N -2 3 361.316 2.411 20 0 FEADHL O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000910243065 691905152 /nfs/dbraw/zinc/90/51/52/691905152.db2.gz NIQPSQOZRFNOSX-UKRRQHHQSA-N -2 3 353.390 2.240 20 0 FEADHL O=C(Nc1ncccc1[O-])c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000028869075 539838550 /nfs/dbraw/zinc/83/85/50/539838550.db2.gz KLKDKPFACOJDEW-UHFFFAOYSA-N -2 3 370.390 2.235 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1F ZINC000055678349 540670100 /nfs/dbraw/zinc/67/01/00/540670100.db2.gz HERBRYWNHVXRMV-UHFFFAOYSA-N -2 3 369.370 2.489 20 0 FEADHL CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000068216222 541564081 /nfs/dbraw/zinc/56/40/81/541564081.db2.gz MABFEZPAWOBGRC-UHFFFAOYSA-N -2 3 374.418 2.406 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551241300 674133627 /nfs/dbraw/zinc/13/36/27/674133627.db2.gz JWBOKQYTEUJNCJ-SSDOTTSWSA-N -2 3 356.625 2.244 20 0 FEADHL O=C(c1cccc([O-])c1)N1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000101679277 543041371 /nfs/dbraw/zinc/04/13/71/543041371.db2.gz OEOYEHDYZPACPG-UHFFFAOYSA-N -2 3 360.797 2.349 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1cccc2ncccc21 ZINC000122937183 543732424 /nfs/dbraw/zinc/73/24/24/543732424.db2.gz NPGIMFJUZGGIJL-UHFFFAOYSA-N -2 3 366.406 2.140 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1cccc2ncccc21 ZINC000122937183 543732427 /nfs/dbraw/zinc/73/24/27/543732427.db2.gz NPGIMFJUZGGIJL-UHFFFAOYSA-N -2 3 366.406 2.140 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)sc1Br ZINC000126253633 543926206 /nfs/dbraw/zinc/92/62/06/543926206.db2.gz VRJGIBKIKKKEQH-UHFFFAOYSA-N -2 3 368.274 2.495 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCC1 ZINC000150231765 544461892 /nfs/dbraw/zinc/46/18/92/544461892.db2.gz RLXMSGPXDQJHPX-UHFFFAOYSA-N -2 3 368.636 2.388 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)N(C)c1ccccc1 ZINC000237602129 328521649 /nfs/dbraw/zinc/52/16/49/328521649.db2.gz XFMCECMNWKUOHM-LLVKDONJSA-N -2 3 354.453 2.250 20 0 FEADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000131902878 326583940 /nfs/dbraw/zinc/58/39/40/326583940.db2.gz VQXHCDANDXHHTI-ZETCQYMHSA-N -2 3 356.263 2.432 20 0 FEADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)cc1C ZINC000164342786 327068868 /nfs/dbraw/zinc/06/88/68/327068868.db2.gz YEPLMKHYBDMKAE-UHFFFAOYSA-N -2 3 373.438 2.217 20 0 FEADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)cc1C ZINC000164342786 327068869 /nfs/dbraw/zinc/06/88/69/327068869.db2.gz YEPLMKHYBDMKAE-UHFFFAOYSA-N -2 3 373.438 2.217 20 0 FEADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)CCOC(C)C)c2)n1 ZINC000176463747 327457609 /nfs/dbraw/zinc/45/76/09/327457609.db2.gz WJIDOBCQAOLPNU-UHFFFAOYSA-N -2 3 365.455 2.166 20 0 FEADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3C=C[C@H](C(=O)[O-])C3)s2)cs1 ZINC000274927279 329993543 /nfs/dbraw/zinc/99/35/43/329993543.db2.gz BUUYHGLVKIJIMY-VHSXEESVSA-N -2 3 370.477 2.488 20 0 FEADHL C[C@H](CC[N-]S(=O)(=O)c1cc(F)ccc1Br)CC(=O)[O-] ZINC000274943959 329995109 /nfs/dbraw/zinc/99/51/09/329995109.db2.gz FMNWNIMJFMONNH-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(C)c1C ZINC000275056161 330005996 /nfs/dbraw/zinc/00/59/96/330005996.db2.gz HSMYTRGHPGKFTI-ZDUSSCGKSA-N -2 3 355.437 2.478 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])c(Cl)c1Cl ZINC000275363027 330039848 /nfs/dbraw/zinc/03/98/48/330039848.db2.gz XTVSGBLSKFUMNX-UHFFFAOYSA-N -2 3 356.227 2.391 20 0 FEADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000230094704 517599746 /nfs/dbraw/zinc/59/97/46/517599746.db2.gz MKKITPHNYLDEFE-SNVBAGLBSA-N -2 3 354.197 2.120 20 0 FEADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000160111906 546008530 /nfs/dbraw/zinc/00/85/30/546008530.db2.gz TYQCCKVWTQLOSR-UHFFFAOYSA-N -2 3 371.422 2.184 20 0 FEADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000160111906 546008534 /nfs/dbraw/zinc/00/85/34/546008534.db2.gz TYQCCKVWTQLOSR-UHFFFAOYSA-N -2 3 371.422 2.184 20 0 FEADHL CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1 ZINC000481431993 561232731 /nfs/dbraw/zinc/23/27/31/561232731.db2.gz FNMVGWHQVPXHPU-UHFFFAOYSA-N -2 3 363.395 2.110 20 0 FEADHL COCc1cccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1 ZINC000481466563 561233308 /nfs/dbraw/zinc/23/33/08/561233308.db2.gz NBJHVLNQLPDFNH-UHFFFAOYSA-N -2 3 350.396 2.298 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1OC ZINC000481473816 561233513 /nfs/dbraw/zinc/23/35/13/561233513.db2.gz GHKHFSWMOCKGDP-UHFFFAOYSA-N -2 3 366.395 2.169 20 0 FEADHL CC[C@H](CNC(=O)c1ccc([O-])cc1F)NC(=O)c1ccc([O-])cc1F ZINC000181952964 547412212 /nfs/dbraw/zinc/41/22/12/547412212.db2.gz KMHDCSDDSDATLB-SNVBAGLBSA-N -2 3 364.348 2.314 20 0 FEADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000485265571 561315928 /nfs/dbraw/zinc/31/59/28/561315928.db2.gz BAWSDLIMHKDLOY-UHFFFAOYSA-N -3 3 371.317 2.470 20 0 FEADHL C[C@H]1CCN(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)C1 ZINC000488314882 561387789 /nfs/dbraw/zinc/38/77/89/561387789.db2.gz DAVKSWYZVHSHQS-QMMMGPOBSA-N -2 3 368.333 2.282 20 0 FEADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000262308578 549809337 /nfs/dbraw/zinc/80/93/37/549809337.db2.gz NFXHEGPMNPINIQ-SECBINFHSA-N -2 3 354.350 2.126 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cn(C)nc2C(C)C)ccc1[O-] ZINC000281289970 551081648 /nfs/dbraw/zinc/08/16/48/551081648.db2.gz XZBQIFHZCBCDLW-UHFFFAOYSA-N -2 3 352.416 2.008 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c(F)c1 ZINC000285303170 551734966 /nfs/dbraw/zinc/73/49/66/551734966.db2.gz YHTDRIIUMAVKLW-SECBINFHSA-N -2 3 357.325 2.456 20 0 FEADHL COC(=O)CCCc1nnc([N-]C(=O)c2c(F)ccc([O-])c2F)s1 ZINC000289343888 552304173 /nfs/dbraw/zinc/30/41/73/552304173.db2.gz IFQDRLQMUYWABI-UHFFFAOYSA-N -2 3 357.338 2.270 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)CCCCC1 ZINC000291855348 552668861 /nfs/dbraw/zinc/66/88/61/552668861.db2.gz GCILTCWVIBQMRH-UHFFFAOYSA-N -2 3 369.439 2.179 20 0 FEADHL COC(=O)c1c(C)[nH]c(C([O-])=C(C)S(=O)(=O)c2ccc([O-])cc2)c1C ZINC000295825545 553064390 /nfs/dbraw/zinc/06/43/90/553064390.db2.gz GUSSGCJLWXSZSD-NSHDSACASA-N -2 3 365.407 2.169 20 0 FEADHL O=C([O-])c1c[nH]c(=O)c2cc([N-]S(=O)(=O)CC3CC(F)(F)C3)ccc12 ZINC000296799832 553213514 /nfs/dbraw/zinc/21/35/14/553213514.db2.gz BMIMBANBQXLDLT-UHFFFAOYSA-N -2 3 372.349 2.426 20 0 FEADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000297234036 553267085 /nfs/dbraw/zinc/26/70/85/553267085.db2.gz PFVOWQSRPJLXRT-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL COCc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000504703113 561661572 /nfs/dbraw/zinc/66/15/72/561661572.db2.gz MRNXAWRJZLZJSZ-UHFFFAOYSA-N -2 3 365.407 2.487 20 0 FEADHL COCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OC ZINC000504721338 561661683 /nfs/dbraw/zinc/66/16/83/561661683.db2.gz OSBLXXWILXKNDG-FNORWQNLSA-N -2 3 374.393 2.322 20 0 FEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000326539414 553781053 /nfs/dbraw/zinc/78/10/53/553781053.db2.gz AGDMGRWJXPPIIO-UHFFFAOYSA-N -3 3 365.363 2.206 20 0 FEADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000327905435 553792050 /nfs/dbraw/zinc/79/20/50/553792050.db2.gz YAEHYVRPNQUQEW-UHFFFAOYSA-N -2 3 369.370 2.350 20 0 FEADHL CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000507570908 561733796 /nfs/dbraw/zinc/73/37/96/561733796.db2.gz UKSZTSMQPLASPV-UHFFFAOYSA-N -2 3 372.443 2.097 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)ccc1C(=O)[O-] ZINC000507642491 561736505 /nfs/dbraw/zinc/73/65/05/561736505.db2.gz COMPOQSTODQYNH-UHFFFAOYSA-N -2 3 365.407 2.255 20 0 FEADHL COC(=O)[C@H](CS(=O)(=O)[N-]c1ccc(OC)cc1[O-])c1ccccc1 ZINC000507888469 561744737 /nfs/dbraw/zinc/74/47/37/561744737.db2.gz BYUQULKPPULPAK-CQSZACIVSA-N -2 3 365.407 2.099 20 0 FEADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)NC2CC2)c1 ZINC000509293853 561794092 /nfs/dbraw/zinc/79/40/92/561794092.db2.gz LUZRJBZVHHMGCN-UHFFFAOYSA-N -2 3 362.407 2.094 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCC1 ZINC000514822922 561981494 /nfs/dbraw/zinc/98/14/94/561981494.db2.gz WBKPRDFHPWTRCU-UHFFFAOYSA-N -2 3 357.281 2.010 20 0 FEADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000518024928 562102759 /nfs/dbraw/zinc/10/27/59/562102759.db2.gz DCYPPKZFLGSTDA-UHFFFAOYSA-N -2 3 360.391 2.158 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2COc3ccccc32)c(F)cc1F ZINC000371851512 557311355 /nfs/dbraw/zinc/31/13/55/557311355.db2.gz GNBJPAAYPJPCBV-GFCCVEGCSA-N -2 3 355.318 2.075 20 0 FEADHL CCOc1ccncc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccsc1 ZINC000518383487 562110260 /nfs/dbraw/zinc/11/02/60/562110260.db2.gz LZQAGBVSZDXUEM-NSHDSACASA-N -2 3 356.425 2.036 20 0 FEADHL CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc21 ZINC000519216744 562127523 /nfs/dbraw/zinc/12/75/23/562127523.db2.gz XJUSDDNCFHCLAY-UHFFFAOYSA-N -2 3 360.391 2.095 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc[nH]2)cs1 ZINC000372856108 557576137 /nfs/dbraw/zinc/57/61/37/557576137.db2.gz HTPFOKAOZHEANQ-UHFFFAOYSA-N -2 3 350.381 2.032 20 0 FEADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-] ZINC000374230540 557847190 /nfs/dbraw/zinc/84/71/90/557847190.db2.gz OGPPFNVTPRPBJN-CYBMUJFWSA-N -2 3 357.476 2.169 20 0 FEADHL CCSCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000389365798 558609428 /nfs/dbraw/zinc/60/94/28/558609428.db2.gz VXOMJHCPNWOFDE-UHFFFAOYSA-N -2 3 367.876 2.468 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)ccc1C ZINC000427301856 559752755 /nfs/dbraw/zinc/75/27/55/559752755.db2.gz LVWNRKDPOGNWOY-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL O=C(Nc1cc([O-])c(Br)cc1Br)c1c[n-]nn1 ZINC000431453251 559839540 /nfs/dbraw/zinc/83/95/40/559839540.db2.gz SBQWGCGTBLPUGH-UHFFFAOYSA-N -2 3 361.981 2.288 20 0 FEADHL O=C(Nc1cc([O-])c(Br)cc1Br)c1cn[n-]n1 ZINC000431453251 559839541 /nfs/dbraw/zinc/83/95/41/559839541.db2.gz SBQWGCGTBLPUGH-UHFFFAOYSA-N -2 3 361.981 2.288 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)ccc1C(=O)[O-] ZINC000431181036 559835589 /nfs/dbraw/zinc/83/55/89/559835589.db2.gz JCTLEHAPFBMZGX-UHFFFAOYSA-N -2 3 367.358 2.124 20 0 FEADHL O=C(Nc1cc([O-])c(Br)cc1Br)c1cnn[n-]1 ZINC000431453251 559839539 /nfs/dbraw/zinc/83/95/39/559839539.db2.gz SBQWGCGTBLPUGH-UHFFFAOYSA-N -2 3 361.981 2.288 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCN2CCCC(C)(C)C2)c1 ZINC000435468866 559923763 /nfs/dbraw/zinc/92/37/63/559923763.db2.gz GFWCAJLJJXNZAW-UHFFFAOYSA-N -2 3 372.462 2.233 20 0 FEADHL COc1ccc(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)c([O-])c1 ZINC000436542115 559944734 /nfs/dbraw/zinc/94/47/34/559944734.db2.gz DCVUSOSVIIWBAK-UHFFFAOYSA-N -2 3 370.405 2.141 20 0 FEADHL COc1cccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1[O-] ZINC000436593126 559946160 /nfs/dbraw/zinc/94/61/60/559946160.db2.gz AOIBJJYMPNSQBA-UHFFFAOYSA-N -2 3 362.183 3.063 20 0 FEADHL CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000436716660 559949869 /nfs/dbraw/zinc/94/98/69/559949869.db2.gz UQPAVPXIOJOZIS-UHFFFAOYSA-N -2 3 351.380 2.378 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)ccc1[O-] ZINC000436830147 559953435 /nfs/dbraw/zinc/95/34/35/559953435.db2.gz URJOQMUECVVYMD-UHFFFAOYSA-N -2 3 367.427 2.291 20 0 FEADHL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000442329346 560049358 /nfs/dbraw/zinc/04/93/58/560049358.db2.gz VBNYIEKFDUJYGA-UHFFFAOYSA-N -2 3 366.370 2.027 20 0 FEADHL Cc1nc(C=Cc2cccc(OCC(=O)[O-])c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443455872 560084530 /nfs/dbraw/zinc/08/45/30/560084530.db2.gz QWRAZJBGXVFXFC-ALCCZGGFSA-N -3 3 358.350 2.142 20 0 FEADHL Cc1nnsc1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000451572074 560315361 /nfs/dbraw/zinc/31/53/61/560315361.db2.gz FFFYIEGPYYMYAW-UHFFFAOYSA-N -2 3 353.347 2.049 20 0 FEADHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000474405200 561073352 /nfs/dbraw/zinc/07/33/52/561073352.db2.gz AXPMJPMUUFGJPK-UHFFFAOYSA-N -2 3 366.786 2.419 20 0 FEADHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000474405200 561073353 /nfs/dbraw/zinc/07/33/53/561073353.db2.gz AXPMJPMUUFGJPK-UHFFFAOYSA-N -2 3 366.786 2.419 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)c1 ZINC000530154274 562400409 /nfs/dbraw/zinc/40/04/09/562400409.db2.gz SFBKUTVZESEGDY-ZLKJLUDKSA-N -2 3 353.783 2.248 20 0 FEADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c1 ZINC000531769063 562456038 /nfs/dbraw/zinc/45/60/38/562456038.db2.gz UKGIEXIYQMNCOH-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC000535402113 562557772 /nfs/dbraw/zinc/55/77/72/562557772.db2.gz LSRAUZYGVGBMHN-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000738340983 598843931 /nfs/dbraw/zinc/84/39/31/598843931.db2.gz ASJKBBMIUGAFGA-UHFFFAOYSA-N -2 3 358.358 2.288 20 0 FEADHL O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000738340983 598843933 /nfs/dbraw/zinc/84/39/33/598843933.db2.gz ASJKBBMIUGAFGA-UHFFFAOYSA-N -2 3 358.358 2.288 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1F ZINC000737281317 598845286 /nfs/dbraw/zinc/84/52/86/598845286.db2.gz UFOGJEYYNHGUNT-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1F ZINC000737281317 598845287 /nfs/dbraw/zinc/84/52/87/598845287.db2.gz UFOGJEYYNHGUNT-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1c([N-]S(=O)(=O)c2cc(F)c(F)cc2F)cccc1-c1nn[n-]n1 ZINC000822122893 607255809 /nfs/dbraw/zinc/25/58/09/607255809.db2.gz RMLCAPLPLGAYLF-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000823387829 599301152 /nfs/dbraw/zinc/30/11/52/599301152.db2.gz ZPYWQRSXCVMADE-ZJUUUORDSA-N -2 3 373.438 2.413 20 0 FEADHL O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000823387829 599301155 /nfs/dbraw/zinc/30/11/55/599301155.db2.gz ZPYWQRSXCVMADE-ZJUUUORDSA-N -2 3 373.438 2.413 20 0 FEADHL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1O ZINC000737263358 599314399 /nfs/dbraw/zinc/31/43/99/599314399.db2.gz IFUHBZQUIVYQJC-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000737263358 599314402 /nfs/dbraw/zinc/31/44/02/599314402.db2.gz IFUHBZQUIVYQJC-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL COc1ccc([C@H]([N-]S(=O)(=O)c2c(F)cccc2F)C(=O)[O-])cc1 ZINC000737969172 599799712 /nfs/dbraw/zinc/79/97/12/599799712.db2.gz IWUJBFIPNZDLIU-ZDUSSCGKSA-N -2 3 357.334 2.078 20 0 FEADHL O=C([O-])[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)Cc1cccc(F)c1 ZINC000739406569 599948554 /nfs/dbraw/zinc/94/85/54/599948554.db2.gz AXJHDHLOOZANQE-ZDUSSCGKSA-N -2 3 368.364 2.341 20 0 FEADHL O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(O)cc1[O-] ZINC000739719970 600204700 /nfs/dbraw/zinc/20/47/00/600204700.db2.gz CELIDRQGPURYCW-UHFFFAOYSA-N -2 3 351.305 2.493 20 0 FEADHL Cc1[nH]c(C(=O)CO[N-]C(=O)CCOc2ccccc2)c(C)c1C(=O)[O-] ZINC000738246055 600284335 /nfs/dbraw/zinc/28/43/35/600284335.db2.gz PEHNTJATFWEALU-UHFFFAOYSA-N -2 3 360.366 2.029 20 0 FEADHL Cc1nc(C)c(CC(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c(=O)[n-]1 ZINC000738847043 600325490 /nfs/dbraw/zinc/32/54/90/600325490.db2.gz IOHDPNOSRVYSQF-CQSZACIVSA-N -2 3 350.758 2.364 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(OCCCC(=O)[O-])cc1 ZINC000573680942 600518953 /nfs/dbraw/zinc/51/89/53/600518953.db2.gz LKHYBOXZUXDQHY-UHFFFAOYSA-N -2 3 368.411 2.014 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000067659986 600544141 /nfs/dbraw/zinc/54/41/41/600544141.db2.gz AUQJAXYKAHCZFL-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736999332 600631727 /nfs/dbraw/zinc/63/17/27/600631727.db2.gz XFKNOEXTOGXGDC-UHFFFAOYSA-N -2 3 354.197 2.365 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CCC2)c(F)cc1Br ZINC000740087050 600633150 /nfs/dbraw/zinc/63/31/50/600633150.db2.gz GQAXHAWSUBDVRN-UHFFFAOYSA-N -2 3 366.208 2.365 20 0 FEADHL CN1CCc2c(cccc2[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)C1 ZINC000830963230 600678873 /nfs/dbraw/zinc/67/88/73/600678873.db2.gz ADGDSCXVMSIRPX-UHFFFAOYSA-N -2 3 352.437 2.235 20 0 FEADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)o1 ZINC000563073096 600762585 /nfs/dbraw/zinc/76/25/85/600762585.db2.gz QRIUQIPSDFVIEP-OAHLLOKOSA-N -2 3 367.423 2.347 20 0 FEADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Oc1cccc(Cl)c1 ZINC000827507154 600780053 /nfs/dbraw/zinc/78/00/53/600780053.db2.gz AQJGPGYALOVNEO-VIFPVBQESA-N -2 3 359.787 2.377 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Oc1ccccc1F ZINC000576820263 601218081 /nfs/dbraw/zinc/21/80/81/601218081.db2.gz RBHRHASJMBYCIZ-SNVBAGLBSA-N -2 3 357.359 2.253 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)ccc23)o1 ZINC000833323402 601240953 /nfs/dbraw/zinc/24/09/53/601240953.db2.gz PVKWADKHLBHEEG-UHFFFAOYSA-N -2 3 352.343 2.119 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000827760171 601256415 /nfs/dbraw/zinc/25/64/15/601256415.db2.gz FKBHDCQJSCSXPO-QMMMGPOBSA-N -2 3 371.390 2.244 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1)c1ccco1 ZINC000831660863 601262820 /nfs/dbraw/zinc/26/28/20/601262820.db2.gz RMUJEEJKZYBTAK-MRZGDXHCSA-N -2 3 351.380 2.043 20 0 FEADHL CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C12CCCCC2 ZINC000645983057 601268681 /nfs/dbraw/zinc/26/86/81/601268681.db2.gz MVYVTVDJUXJVBE-OLZOCXBDSA-N -2 3 357.428 2.384 20 0 FEADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000026238816 601319935 /nfs/dbraw/zinc/31/99/35/601319935.db2.gz LSXIISLIZPHPRW-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCCc3[nH]ccc32)c1F ZINC000833294382 601442557 /nfs/dbraw/zinc/44/25/57/601442557.db2.gz BSBHBPFOGOEANZ-LLVKDONJSA-N -2 3 356.350 2.347 20 0 FEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C1CC1 ZINC000776577606 601611884 /nfs/dbraw/zinc/61/18/84/601611884.db2.gz OTPULMUESKJJGL-GFCCVEGCSA-N -2 3 352.437 2.342 20 0 FEADHL O=C([O-])C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCO1 ZINC000833218530 601760290 /nfs/dbraw/zinc/76/02/90/601760290.db2.gz ZCDKPYMSSOIWSS-MRXNPFEDSA-N -2 3 355.390 2.299 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1 ZINC000832869076 601863082 /nfs/dbraw/zinc/86/30/82/601863082.db2.gz XJEGEKXXEYVDKY-UHFFFAOYSA-N -3 3 364.379 2.262 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)cc1C(=O)[O-] ZINC000833026672 602007150 /nfs/dbraw/zinc/00/71/50/602007150.db2.gz HCARSJPNSHLCHQ-UHFFFAOYSA-N -2 3 368.392 2.481 20 0 FEADHL O=C([O-])N1CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)ccc21 ZINC000740530520 602246707 /nfs/dbraw/zinc/24/67/07/602246707.db2.gz ZSMXGJKKHGSCPT-UHFFFAOYSA-N -2 3 360.391 2.463 20 0 FEADHL O=C([O-])N1CC[C@H](CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000740496455 602456235 /nfs/dbraw/zinc/45/62/35/602456235.db2.gz DPBLGVPNRLAWGP-VIFPVBQESA-N -2 3 350.799 2.147 20 0 FEADHL CC(C)C[C@@H](CNC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000738812246 602566992 /nfs/dbraw/zinc/56/69/92/602566992.db2.gz QEJIPEUTGFARTN-JTQLQIEISA-N -2 3 352.815 2.440 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)NC[C@@H]3CCCN3C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000740211045 602595064 /nfs/dbraw/zinc/59/50/64/602595064.db2.gz XCIPQZDNFOHJND-AWEZNQCLSA-N -2 3 371.397 2.422 20 0 FEADHL C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823716062 602806312 /nfs/dbraw/zinc/80/63/12/602806312.db2.gz WIRZGSLVDSHLSH-NHYWBVRUSA-N -2 3 366.381 2.450 20 0 FEADHL CCOC[C@@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000558642808 674508243 /nfs/dbraw/zinc/50/82/43/674508243.db2.gz MTTGIRHFBUMIQS-LLVKDONJSA-N -2 3 361.803 2.163 20 0 FEADHL Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1NC(=O)[O-] ZINC000830219785 602887509 /nfs/dbraw/zinc/88/75/09/602887509.db2.gz IQHKYTBZWAYNNX-UHFFFAOYSA-N -2 3 352.354 2.195 20 0 FEADHL Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1NC(=O)[O-] ZINC000830219785 602887511 /nfs/dbraw/zinc/88/75/11/602887511.db2.gz IQHKYTBZWAYNNX-UHFFFAOYSA-N -2 3 352.354 2.195 20 0 FEADHL O=C([O-])NC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000740612420 603068309 /nfs/dbraw/zinc/06/83/09/603068309.db2.gz JRMUMPSPJIILJJ-SNVBAGLBSA-N -2 3 370.324 2.169 20 0 FEADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000558862036 674518280 /nfs/dbraw/zinc/51/82/80/674518280.db2.gz BDOKXYJDQRAYCH-JTQLQIEISA-N -2 3 368.224 2.366 20 0 FEADHL C[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823724708 603389773 /nfs/dbraw/zinc/38/97/73/603389773.db2.gz SOKVSTZVBWHNJM-VXNVDRBHSA-N -2 3 357.292 2.407 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](NC(=O)[O-])[C@H](C)C3)nc2)n1 ZINC000739536016 603405418 /nfs/dbraw/zinc/40/54/18/603405418.db2.gz LONFLJPTSZUNOC-BXUZGUMPSA-N -2 3 357.414 2.289 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]CC(C)(C)NC(=O)[O-])s1 ZINC000829899695 603472684 /nfs/dbraw/zinc/47/26/84/603472684.db2.gz KPJGVTIJRQNFHI-UHFFFAOYSA-N -2 3 371.278 2.144 20 0 FEADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC3CN(C(=O)[O-])C3)c2)n1 ZINC000827557968 603564704 /nfs/dbraw/zinc/56/47/04/603564704.db2.gz XTNFVNAXXVYKAF-UHFFFAOYSA-N -2 3 356.382 2.350 20 0 FEADHL Cc1ccc2c(=O)c(C(=O)NC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])c[n-]c2n1 ZINC000830439739 603923967 /nfs/dbraw/zinc/92/39/67/603923967.db2.gz QXSZWYKZYRTYGT-YOGCLGLASA-N -2 3 356.382 2.047 20 0 FEADHL CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)c1C ZINC000829869588 604353773 /nfs/dbraw/zinc/35/37/73/604353773.db2.gz AUULXPZFOJLGRP-UHFFFAOYSA-N -2 3 367.379 2.274 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1C(=O)[O-] ZINC000677234779 604504260 /nfs/dbraw/zinc/50/42/60/604504260.db2.gz KHUFUBOPWPNOKA-UHFFFAOYSA-N -3 3 369.326 2.032 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)c1F ZINC000833295709 604665251 /nfs/dbraw/zinc/66/52/51/604665251.db2.gz YXBBCRKKAJMLST-VIFPVBQESA-N -2 3 361.366 2.043 20 0 FEADHL COC[C@@](C)(NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)[O-] ZINC000833720756 604731141 /nfs/dbraw/zinc/73/11/41/604731141.db2.gz FZIQLWIWYFMEIR-HXUWFJFHSA-N -2 3 357.406 2.397 20 0 FEADHL Cc1nc(C)c(CCC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c(=O)[n-]1 ZINC000567827033 605083318 /nfs/dbraw/zinc/08/33/18/605083318.db2.gz DCLIATGALLSYEU-INIZCTEOSA-N -2 3 371.437 2.324 20 0 FEADHL C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000833623011 605183910 /nfs/dbraw/zinc/18/39/10/605183910.db2.gz CSNXGQNPLJXFMV-JTQLQIEISA-N -2 3 360.332 2.032 20 0 FEADHL C[C@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833548423 605198260 /nfs/dbraw/zinc/19/82/60/605198260.db2.gz KAICXPLHHMXQIC-DOMZBBRYSA-N -2 3 364.423 2.092 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC(=O)Nc2cccc3ccccc32)c1 ZINC000833764397 605201259 /nfs/dbraw/zinc/20/12/59/605201259.db2.gz FJKNFFBDRGNXJY-UHFFFAOYSA-N -2 3 374.374 2.048 20 0 FEADHL O=C([O-])NC1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCC1 ZINC000834154588 605407605 /nfs/dbraw/zinc/40/76/05/605407605.db2.gz BMRRGRLPOBCCKT-UHFFFAOYSA-N -2 3 370.324 2.313 20 0 FEADHL Cc1nc(C)c(CCC(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c(=O)[n-]1 ZINC000833754984 605623189 /nfs/dbraw/zinc/62/31/89/605623189.db2.gz SLJHNKBYSSHCCH-UHFFFAOYSA-N -2 3 370.409 2.019 20 0 FEADHL O=C([O-])N1CCC2(CCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C2)CC1 ZINC000834089420 605906463 /nfs/dbraw/zinc/90/64/63/605906463.db2.gz AEAPSXBBYXREQN-UHFFFAOYSA-N -2 3 355.394 2.134 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Oc1ccccc1 ZINC000559151524 674530455 /nfs/dbraw/zinc/53/04/55/674530455.db2.gz LUTFRGNXVLPWOL-JTQLQIEISA-N -2 3 361.828 2.212 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1Cl ZINC000822267304 606337559 /nfs/dbraw/zinc/33/75/59/606337559.db2.gz RTYJNSREHRXJFF-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccs1 ZINC000821309260 606600101 /nfs/dbraw/zinc/60/01/01/606600101.db2.gz LRNBWJJBGUTZNH-UHFFFAOYSA-N -2 3 350.429 2.161 20 0 FEADHL CSc1ccncc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821990443 606637751 /nfs/dbraw/zinc/63/77/51/606637751.db2.gz SIBUKRSFZFTAKX-UHFFFAOYSA-N -2 3 362.440 2.093 20 0 FEADHL O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1c(F)cc([O-])cc1F ZINC000823422392 607000772 /nfs/dbraw/zinc/00/07/72/607000772.db2.gz TWWOQCZHGLTMAH-UHFFFAOYSA-N -2 3 350.256 2.347 20 0 FEADHL O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1c(F)cc([O-])cc1F ZINC000823422392 607000773 /nfs/dbraw/zinc/00/07/73/607000773.db2.gz TWWOQCZHGLTMAH-UHFFFAOYSA-N -2 3 350.256 2.347 20 0 FEADHL O=S(=O)(C=Cc1ccc(Cl)cc1)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000823557971 607026350 /nfs/dbraw/zinc/02/63/50/607026350.db2.gz XHIIBGAQFCCIPZ-AATRIKPKSA-N -2 3 368.831 2.389 20 0 FEADHL O=C([O-])[C@@]1(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCSC1 ZINC000822935901 607120993 /nfs/dbraw/zinc/12/09/93/607120993.db2.gz PLPHZXBIRHGFHB-CQSZACIVSA-N -2 3 367.818 2.057 20 0 FEADHL O=C([O-])[C@@]1(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCSC1 ZINC000822935901 607120994 /nfs/dbraw/zinc/12/09/94/607120994.db2.gz PLPHZXBIRHGFHB-CQSZACIVSA-N -2 3 367.818 2.057 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1Cl ZINC000821911507 607155522 /nfs/dbraw/zinc/15/55/22/607155522.db2.gz VPJJZNJGBRNNBX-UHFFFAOYSA-N -2 3 371.831 2.391 20 0 FEADHL O=S(=O)([N-]c1cncc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000826493163 607982997 /nfs/dbraw/zinc/98/29/97/607982997.db2.gz WLPKLPPLOKQNRA-UHFFFAOYSA-N -2 3 370.369 2.355 20 0 FEADHL COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1c(F)cc([O-])cc1F ZINC000826172254 608360476 /nfs/dbraw/zinc/36/04/76/608360476.db2.gz VVTRQZDCGHMBDO-UHFFFAOYSA-N -2 3 362.292 2.216 20 0 FEADHL COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1c(F)cc([O-])cc1F ZINC000826172254 608360478 /nfs/dbraw/zinc/36/04/78/608360478.db2.gz VVTRQZDCGHMBDO-UHFFFAOYSA-N -2 3 362.292 2.216 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)nc1 ZINC000543860332 609452049 /nfs/dbraw/zinc/45/20/49/609452049.db2.gz VTXPAMXBYKIYAH-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL O=S(=O)([N-]c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492771 609524781 /nfs/dbraw/zinc/52/47/81/609524781.db2.gz CILOHRKRTSPSPE-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492771 609524783 /nfs/dbraw/zinc/52/47/83/609524783.db2.gz CILOHRKRTSPSPE-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL CCCc1cc(=O)[n-]c(SCC2=Nc3ccccc3S(=O)(=O)[N-]2)n1 ZINC000562470670 674759984 /nfs/dbraw/zinc/75/99/84/674759984.db2.gz RERROVCONJXKKZ-UHFFFAOYSA-N -2 3 364.452 2.249 20 0 FEADHL CCOc1cc([N-]S(=O)(=O)[C@H]2CCO[C@H]2C)c(C(=O)[O-])cc1OCC ZINC000563226991 674861563 /nfs/dbraw/zinc/86/15/63/674861563.db2.gz PCYJIPBJOSPMOK-BONVTDFDSA-N -2 3 373.427 2.101 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1 ZINC000572510004 671010869 /nfs/dbraw/zinc/01/08/69/671010869.db2.gz HEOQCPSVMJPTLX-NSHDSACASA-N -2 3 374.340 2.247 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](Cc2ccc(C)c(C)c2)C(=O)[O-])s1 ZINC000572698086 671033202 /nfs/dbraw/zinc/03/32/02/671033202.db2.gz WQQFAQZXXJCZTE-CYBMUJFWSA-N -2 3 368.480 2.297 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](Cc2ccc(C)c(C)c2)C(=O)[O-])s1 ZINC000572698087 671033224 /nfs/dbraw/zinc/03/32/24/671033224.db2.gz WQQFAQZXXJCZTE-ZDUSSCGKSA-N -2 3 368.480 2.297 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCCOc2cc(F)ccc21 ZINC000566173824 675189474 /nfs/dbraw/zinc/18/94/74/675189474.db2.gz MAPYKEUIJYXZGE-JTQLQIEISA-N -2 3 372.399 2.173 20 0 FEADHL Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)no1 ZINC000566175648 675190190 /nfs/dbraw/zinc/19/01/90/675190190.db2.gz BIAXZORDJNDJGI-UHFFFAOYSA-N -2 3 373.818 2.252 20 0 FEADHL Cc1oc(C)c(S(=O)(=O)[N-][C@H]2COc3ccc(C)cc32)c1C(=O)[O-] ZINC000576820180 671397115 /nfs/dbraw/zinc/39/71/15/671397115.db2.gz PRIZHTKBVMAOAV-LBPRGKRZSA-N -2 3 351.380 2.315 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])c(Cl)cc1F ZINC000578288850 671654208 /nfs/dbraw/zinc/65/42/08/671654208.db2.gz SGFHADVJDRGULY-MRVPVSSYSA-N -2 3 363.716 2.471 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccc(F)cc1 ZINC000578319238 671656522 /nfs/dbraw/zinc/65/65/22/671656522.db2.gz APFYQGFKRZKHDC-UHFFFAOYSA-N -2 3 358.416 2.237 20 0 FEADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000579941247 671771826 /nfs/dbraw/zinc/77/18/26/671771826.db2.gz DEKYZZXAIZTXGI-JTQLQIEISA-N -2 3 364.807 2.348 20 0 FEADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000579941248 671771955 /nfs/dbraw/zinc/77/19/55/671771955.db2.gz DEKYZZXAIZTXGI-SNVBAGLBSA-N -2 3 364.807 2.348 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CC[C@H](C)C(=O)[O-])sc1Br ZINC000129245617 672059625 /nfs/dbraw/zinc/05/96/25/672059625.db2.gz RANBTQIPVLCHEQ-LURJTMIESA-N -2 3 356.263 2.208 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c[n-]1 ZINC000586754228 672240304 /nfs/dbraw/zinc/24/03/04/672240304.db2.gz IELAUNKVFHXTCK-UHFFFAOYSA-N -2 3 357.819 2.224 20 0 FEADHL O=C([O-])C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C(F)(F)F ZINC000700724719 673056351 /nfs/dbraw/zinc/05/63/51/673056351.db2.gz OBCPUUMAECGOCH-MRVPVSSYSA-N -2 3 356.094 2.290 20 0 FEADHL CC1(C)CC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000701707057 673056913 /nfs/dbraw/zinc/05/69/13/673056913.db2.gz VQMKVELAKTVOKN-UHFFFAOYSA-N -2 3 366.233 2.455 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)c1 ZINC000538299538 673432696 /nfs/dbraw/zinc/43/26/96/673432696.db2.gz YEHISQCMBHRIQK-UHFFFAOYSA-N -2 3 364.423 2.340 20 0 FEADHL COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000540496937 673543484 /nfs/dbraw/zinc/54/34/84/673543484.db2.gz RRRBXOVQJIBFNP-UHFFFAOYSA-N -2 3 351.380 2.297 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]CCSC[C@H](C)C(=O)[O-])c(F)c1F ZINC000600657477 673786872 /nfs/dbraw/zinc/78/68/72/673786872.db2.gz KLRTYMNSHLLGJI-VIFPVBQESA-N -2 3 353.412 2.005 20 0 FEADHL CCn1nccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Br ZINC000547590162 673869778 /nfs/dbraw/zinc/86/97/78/673869778.db2.gz JGZDWUMYZHNXIA-UHFFFAOYSA-N -2 3 374.216 2.165 20 0 FEADHL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)N(CC)CC1CC1 ZINC000547932325 673906118 /nfs/dbraw/zinc/90/61/18/673906118.db2.gz CKVHGNQASWHDFD-UHFFFAOYSA-N -2 3 360.407 2.311 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cn1 ZINC000548525372 673965364 /nfs/dbraw/zinc/96/53/64/673965364.db2.gz AWTVEKNWQBRXGV-UHFFFAOYSA-N -2 3 370.770 2.021 20 0 FEADHL COCc1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(=O)[O-])c1 ZINC000548533440 673966832 /nfs/dbraw/zinc/96/68/32/673966832.db2.gz ILQCFICYZUHXDI-UHFFFAOYSA-N -2 3 364.423 2.398 20 0 FEADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1[O-] ZINC000567241284 675278344 /nfs/dbraw/zinc/27/83/44/675278344.db2.gz UZLUKQRNUKNJRM-UHFFFAOYSA-N -2 3 371.333 2.232 20 0 FEADHL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000656165713 677717342 /nfs/dbraw/zinc/71/73/42/677717342.db2.gz YXGMMBKDFAOBMC-ZETCQYMHSA-N -2 3 374.615 2.194 20 0 FEADHL O=S(=O)(C=Cc1ccccc1Cl)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000823556938 675559914 /nfs/dbraw/zinc/55/99/14/675559914.db2.gz CAKFKZVGKWEPBC-WAYWQWQTSA-N -2 3 368.831 2.389 20 0 FEADHL COCCOCc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC000629327969 676846708 /nfs/dbraw/zinc/84/67/08/676846708.db2.gz HYDCKEWBICBLBM-UHFFFAOYSA-N -2 3 367.423 2.365 20 0 FEADHL COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000645960190 677275896 /nfs/dbraw/zinc/27/58/96/677275896.db2.gz PTJXLPJVBBNIRH-UHFFFAOYSA-N -2 3 370.452 2.106 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2CSc3ccccc3O2)cc1C(=O)[O-] ZINC000646056505 677278145 /nfs/dbraw/zinc/27/81/45/677278145.db2.gz HCUIMEXYCDJCAD-SNVBAGLBSA-N -2 3 369.420 2.118 20 0 FEADHL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)cc1 ZINC000647923569 677308653 /nfs/dbraw/zinc/30/86/53/677308653.db2.gz LVFMMKQQWXULND-UHFFFAOYSA-N -2 3 363.317 2.086 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cc(Cl)ccn2)c(F)cc1F ZINC000761308200 680718763 /nfs/dbraw/zinc/71/87/63/680718763.db2.gz DXONOXDAOXZRNT-UHFFFAOYSA-N -2 3 362.741 2.190 20 0 FEADHL Cc1ocnc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761306174 680718534 /nfs/dbraw/zinc/71/85/34/680718534.db2.gz BBOQAUSINVPMAM-UHFFFAOYSA-N -2 3 365.194 2.467 20 0 FEADHL CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000840890265 680849658 /nfs/dbraw/zinc/84/96/58/680849658.db2.gz LTDQDTOWTGCPFL-UHFFFAOYSA-N -2 3 356.375 2.170 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCOCC2CCCC2)c(F)cc1F ZINC000840897417 680851058 /nfs/dbraw/zinc/85/10/58/680851058.db2.gz PEYNPBMFZHCWAW-UHFFFAOYSA-N -2 3 363.382 2.148 20 0 FEADHL CCCn1cc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)ccc1=O ZINC000753775606 680313893 /nfs/dbraw/zinc/31/38/93/680313893.db2.gz YDPQXNNTSWAGEC-UHFFFAOYSA-N -2 3 368.386 2.205 20 0 FEADHL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1c(C)cc(C)cc1C(=O)[O-] ZINC000844653087 681071312 /nfs/dbraw/zinc/07/13/12/681071312.db2.gz QTXYESHUMQLIQL-ZDUSSCGKSA-N -2 3 357.428 2.475 20 0 FEADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844785163 681082124 /nfs/dbraw/zinc/08/21/24/681082124.db2.gz JTEULLJBKZPSLJ-QMMMGPOBSA-N -2 3 352.815 2.432 20 0 FEADHL CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c1 ZINC000844786836 681082420 /nfs/dbraw/zinc/08/24/20/681082420.db2.gz ZLBQQFWEEGMXFV-VIFPVBQESA-N -2 3 369.773 2.319 20 0 FEADHL CSCC[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1nn[n-]n1 ZINC000912861565 685460388 /nfs/dbraw/zinc/46/03/88/685460388.db2.gz QAGSCMZJJQXFGA-VIFPVBQESA-N -2 3 363.340 2.180 20 0 FEADHL Cc1nc([C@@H](C)NC(=O)c2nnc3ccccc3c2[O-])sc1C(=O)[O-] ZINC000779443840 681716304 /nfs/dbraw/zinc/71/63/04/681716304.db2.gz PSLWJSKCWLZNNC-MRVPVSSYSA-N -2 3 358.379 2.290 20 0 FEADHL COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)s1 ZINC000788063779 682500293 /nfs/dbraw/zinc/50/02/93/682500293.db2.gz YQBCSVZBLZOKCJ-UHFFFAOYSA-N -2 3 374.415 2.292 20 0 FEADHL O=C([O-])[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000905999826 691209675 /nfs/dbraw/zinc/20/96/75/691209675.db2.gz FYSKOWPLLMHAMT-SCZZXKLOSA-N -2 3 368.238 2.294 20 0 FEADHL O=C([O-])C1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCOCC1 ZINC000663143991 939858781 /nfs/dbraw/zinc/85/87/81/939858781.db2.gz NNWNYGOXRSYRRQ-UHFFFAOYSA-N -2 3 355.390 2.347 20 0 FEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000042005298 540045388 /nfs/dbraw/zinc/04/53/88/540045388.db2.gz RDDHOIFZEJKNGW-UHFFFAOYSA-N -2 3 373.390 2.341 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1C(=O)[O-] ZINC000042795300 540078864 /nfs/dbraw/zinc/07/88/64/540078864.db2.gz ODIUMPDFLXNCSY-UHFFFAOYSA-N -3 3 369.326 2.032 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000047905768 540333393 /nfs/dbraw/zinc/33/33/93/540333393.db2.gz MTCMKBFSQILOAA-UHFFFAOYSA-N -2 3 354.453 2.421 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1CO ZINC000059371588 540864227 /nfs/dbraw/zinc/86/42/27/540864227.db2.gz BAHYQAUENJWZAA-UHFFFAOYSA-N -2 3 351.380 2.077 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000068074858 541544498 /nfs/dbraw/zinc/54/44/98/541544498.db2.gz SOAQLMIESWMYIR-UHFFFAOYSA-N -3 3 365.363 2.283 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1ccc2c(c1)CCC2 ZINC000122922303 543731785 /nfs/dbraw/zinc/73/17/85/543731785.db2.gz VVBBVQNTBWIXEY-UHFFFAOYSA-N -2 3 355.423 2.080 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1ccc2c(c1)CCC2 ZINC000122922303 543731787 /nfs/dbraw/zinc/73/17/87/543731787.db2.gz VVBBVQNTBWIXEY-UHFFFAOYSA-N -2 3 355.423 2.080 20 0 FEADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])cc2F)o1 ZINC000124646337 543834639 /nfs/dbraw/zinc/83/46/39/543834639.db2.gz IFRXGBDESCJVHL-UHFFFAOYSA-N -2 3 356.375 2.453 20 0 FEADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000136732623 544378418 /nfs/dbraw/zinc/37/84/18/544378418.db2.gz ZEUQEWQJCPXZDW-SNVBAGLBSA-N -2 3 365.249 2.012 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000150868690 544480957 /nfs/dbraw/zinc/48/09/57/544480957.db2.gz JEISQDYFGXDMKQ-UHFFFAOYSA-N -2 3 370.427 2.067 20 0 FEADHL CCOC(=O)c1cc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)n[n-]1 ZINC000194689415 328435357 /nfs/dbraw/zinc/43/53/57/328435357.db2.gz BSVYCODRIOFOOP-UHFFFAOYSA-N -2 3 361.782 2.321 20 0 FEADHL CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000237180208 328507561 /nfs/dbraw/zinc/50/75/61/328507561.db2.gz YKPGUNLWOAHBSP-ZDUSSCGKSA-N -2 3 354.453 2.028 20 0 FEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)SC ZINC000162538077 327028179 /nfs/dbraw/zinc/02/81/79/327028179.db2.gz LGSMNTSRYXYSEZ-ZETCQYMHSA-N -2 3 353.849 2.077 20 0 FEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000275029887 330003589 /nfs/dbraw/zinc/00/35/89/330003589.db2.gz PVOOOMDBRNVVTH-MNOVXSKESA-N -2 3 363.867 2.084 20 0 FEADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000554531006 674321931 /nfs/dbraw/zinc/32/19/31/674321931.db2.gz DDEGJDYPQMOAOI-GXFFZTMASA-N -2 3 366.361 2.412 20 0 FEADHL O=C(NCCCNC(=O)c1cc(F)cc(Cl)c1[O-])c1cccc([O-])c1 ZINC000177135705 546552043 /nfs/dbraw/zinc/55/20/43/546552043.db2.gz JHIKHGZKAOHDDL-UHFFFAOYSA-N -2 3 366.776 2.440 20 0 FEADHL O=S(=O)([N-]Cc1ncccc1[O-])c1cc(F)ccc1Br ZINC000480745872 561215816 /nfs/dbraw/zinc/21/58/16/561215816.db2.gz PIFKQGPUVIILBV-UHFFFAOYSA-N -2 3 361.192 2.167 20 0 FEADHL O=C1Cc2cc(S(=O)(=O)[N-]c3cccc([O-])c3F)cc3c2N1CCC3 ZINC000184898905 547896146 /nfs/dbraw/zinc/89/61/46/547896146.db2.gz ARHRGXGAJWCDKJ-UHFFFAOYSA-N -2 3 362.382 2.167 20 0 FEADHL CCc1cnc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)s1 ZINC000185090808 547930801 /nfs/dbraw/zinc/93/08/01/547930801.db2.gz QVUVTDOMRXHXPA-UHFFFAOYSA-N -2 3 358.416 2.064 20 0 FEADHL C[C@H](CCC[N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000229517104 548755644 /nfs/dbraw/zinc/75/56/44/548755644.db2.gz RFGIAXWHKCVCTP-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235101566 548766282 /nfs/dbraw/zinc/76/62/82/548766282.db2.gz JGDCKFHKCWXBGA-LURJTMIESA-N -2 3 356.625 2.244 20 0 FEADHL CC(C)(CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000236714766 548774658 /nfs/dbraw/zinc/77/46/58/548774658.db2.gz DRIRNVILDUZMDF-UHFFFAOYSA-N -2 3 367.199 2.131 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000261570544 549732295 /nfs/dbraw/zinc/73/22/95/549732295.db2.gz OTVVWKBCVMRPGL-SECBINFHSA-N -2 3 370.652 2.490 20 0 FEADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000270533105 550281322 /nfs/dbraw/zinc/28/13/22/550281322.db2.gz VOUWCBSQCACTOJ-ZCFIWIBFSA-N -2 3 356.625 2.244 20 0 FEADHL COc1ccc(OC)c(C[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000273693193 550507976 /nfs/dbraw/zinc/50/79/76/550507976.db2.gz BVTWPBGEBGWQPX-UHFFFAOYSA-N -2 3 369.395 2.090 20 0 FEADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000274943884 550566636 /nfs/dbraw/zinc/56/66/36/550566636.db2.gz FLNGOUJBSUWNRP-CBAPKCEASA-N -2 3 353.293 2.152 20 0 FEADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000277203574 550643091 /nfs/dbraw/zinc/64/30/91/550643091.db2.gz FVIQTJAIRRMUHD-SSDOTTSWSA-N -2 3 365.251 2.231 20 0 FEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCC2(O)CCC2)c1 ZINC000284087686 551481220 /nfs/dbraw/zinc/48/12/20/551481220.db2.gz RNBZDWWZIIWIRL-UHFFFAOYSA-N -2 3 368.238 2.275 20 0 FEADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1cncc(Cl)c1)C(F)(F)F ZINC000285004498 551687804 /nfs/dbraw/zinc/68/78/04/551687804.db2.gz HDUGWDCMUNCOGP-ZETCQYMHSA-N -2 3 360.741 2.057 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)CCC1 ZINC000290897161 552557871 /nfs/dbraw/zinc/55/78/71/552557871.db2.gz DPJMMUSBZUMIGP-UHFFFAOYSA-N -2 3 361.803 2.123 20 0 FEADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)o1 ZINC000291899354 552672959 /nfs/dbraw/zinc/67/29/59/552672959.db2.gz KQMIKVVIXDUMKC-UHFFFAOYSA-N -2 3 356.375 2.170 20 0 FEADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000291919470 552674894 /nfs/dbraw/zinc/67/48/94/552674894.db2.gz UQKUDFCCOGLUDH-YUMQZZPRSA-N -2 3 369.292 2.032 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1c(F)cccc1F ZINC000297027932 553244159 /nfs/dbraw/zinc/24/41/59/553244159.db2.gz SYANSSHBFFHRMW-PELKAZGASA-N -2 3 369.336 2.445 20 0 FEADHL Cc1nc(C=Cc2ccc3c(c2)sc(=O)n3C)[n-]c(=O)c1CC(=O)[O-] ZINC000504730351 561661700 /nfs/dbraw/zinc/66/17/00/561661700.db2.gz MDUAOEAFZPUULF-XQRVVYSFSA-N -2 3 357.391 2.202 20 0 FEADHL COc1ccc(F)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000325441873 553776261 /nfs/dbraw/zinc/77/62/61/553776261.db2.gz CTAVPKXOMLWWRI-UHFFFAOYSA-N -2 3 355.343 2.099 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c(C(=O)[O-])c1 ZINC000326937038 553784336 /nfs/dbraw/zinc/78/43/36/553784336.db2.gz ACYZPLYXSJOKEY-UHFFFAOYSA-N -2 3 367.379 2.211 20 0 FEADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000506622225 561704152 /nfs/dbraw/zinc/70/41/52/561704152.db2.gz BELHENQWDJDNHU-UHFFFAOYSA-N -2 3 362.415 2.094 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(C(=O)[O-])c1 ZINC000507607265 561734899 /nfs/dbraw/zinc/73/48/99/561734899.db2.gz SQMXTXZDOLAQBT-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(C(=O)N=c2[n-]nc(C3CC3)n2C)cc1 ZINC000617288939 555414504 /nfs/dbraw/zinc/41/45/04/555414504.db2.gz WTSRRNSVYKGBRV-UHFFFAOYSA-N -2 3 363.443 2.097 20 0 FEADHL Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000514677579 561973592 /nfs/dbraw/zinc/97/35/92/561973592.db2.gz WLYVHJBTDNMPJF-QMMMGPOBSA-N -2 3 356.375 2.038 20 0 FEADHL COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000514789586 561979813 /nfs/dbraw/zinc/97/98/13/561979813.db2.gz LIMOZYHOLPLLBB-JTQLQIEISA-N -2 3 371.436 2.201 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2COc3ccccc32)cc(F)c1F ZINC000371853196 557312048 /nfs/dbraw/zinc/31/20/48/557312048.db2.gz PNLDNXIKXNAKFX-LBPRGKRZSA-N -2 3 355.318 2.075 20 0 FEADHL Cc1cc(C)cc([C@@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C(=O)[O-])c1 ZINC000518882640 562120120 /nfs/dbraw/zinc/12/01/20/562120120.db2.gz GUUBJYPAQJCMRI-OAHLLOKOSA-N -2 3 367.361 2.134 20 0 FEADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]CC2(c3ccccn3)CCC2)c1 ZINC000375652334 558062566 /nfs/dbraw/zinc/06/25/66/558062566.db2.gz KVFVGKUMVZTPAU-UHFFFAOYSA-N -2 3 364.398 2.319 20 0 FEADHL CN1CCC(n2ccc([N-]S(=O)(=O)c3cccc(Cl)c3[O-])n2)CC1 ZINC000521544942 562178529 /nfs/dbraw/zinc/17/85/29/562178529.db2.gz PORDQJJTHORIGM-UHFFFAOYSA-N -2 3 370.862 2.310 20 0 FEADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(F)cc1Br)CC(=O)[O-] ZINC000392834693 558618901 /nfs/dbraw/zinc/61/89/01/558618901.db2.gz KDIPCSLRMLZKSC-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL COCC1(CC[N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)CCC1 ZINC000414338894 559157346 /nfs/dbraw/zinc/15/73/46/559157346.db2.gz KXHOPBTVAIQXIM-UHFFFAOYSA-N -2 3 359.419 2.317 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])c1csnn1 ZINC000416625983 559325923 /nfs/dbraw/zinc/32/59/23/559325923.db2.gz CKKKYVLHWKUYIA-ZCFIWIBFSA-N -2 3 353.347 2.302 20 0 FEADHL CCC(CC)(C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000424368036 559662118 /nfs/dbraw/zinc/66/21/18/559662118.db2.gz OMJSKCCOEYXDHI-UHFFFAOYSA-N -2 3 354.350 2.270 20 0 FEADHL NC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436480419 559942580 /nfs/dbraw/zinc/94/25/80/559942580.db2.gz WBLDZQPEDLVRSP-UHFFFAOYSA-N -2 3 360.313 2.311 20 0 FEADHL O=C(Nc1ncccc1[O-])c1cc(I)ccc1[O-] ZINC000436762905 559951192 /nfs/dbraw/zinc/95/11/92/559951192.db2.gz DVOAWXIGMGQVPC-UHFFFAOYSA-N -2 3 356.119 2.350 20 0 FEADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1F ZINC000436783147 559951912 /nfs/dbraw/zinc/95/19/12/559951912.db2.gz FLKVGDHBSHHNSJ-UHFFFAOYSA-N -2 3 373.333 2.486 20 0 FEADHL O=C(NC[C@H]1CSCCN1C(=O)c1ccccc1[O-])c1ccccc1[O-] ZINC000436907835 559956088 /nfs/dbraw/zinc/95/60/88/559956088.db2.gz TYZWEMNTJVMMDT-ZDUSSCGKSA-N -2 3 372.446 2.085 20 0 FEADHL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000436944159 559957015 /nfs/dbraw/zinc/95/70/15/559957015.db2.gz OXTJDMXPNFIVCS-UHFFFAOYSA-N -2 3 351.380 2.000 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1 ZINC000436993444 559959033 /nfs/dbraw/zinc/95/90/33/559959033.db2.gz CEEULGAQOQDKAS-UHFFFAOYSA-N -3 3 361.375 2.410 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC000436998939 559959131 /nfs/dbraw/zinc/95/91/31/559959131.db2.gz ZYGKACSPUKXCBC-UHFFFAOYSA-N -3 3 359.306 2.493 20 0 FEADHL CC(C)C(C)(C)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000445736850 560134491 /nfs/dbraw/zinc/13/44/91/560134491.db2.gz YJQNJYIGICITGT-UHFFFAOYSA-N -2 3 366.480 2.158 20 0 FEADHL Cc1noc(=NC([O-])=CSc2nnc(-c3ccccc3Cl)o2)[n-]1 ZINC000532634583 562484021 /nfs/dbraw/zinc/48/40/21/562484021.db2.gz UMDJPRHLVWYNGH-UHFFFAOYSA-N -2 3 351.775 2.234 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000533625983 562514675 /nfs/dbraw/zinc/51/46/75/562514675.db2.gz ZCWJUOCGHJYXEE-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(=O)[O-] ZINC000534798185 562542604 /nfs/dbraw/zinc/54/26/04/562542604.db2.gz FVIIUSZMQLKERS-GFCCVEGCSA-N -2 3 374.846 2.002 20 0 FEADHL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000541307841 562608498 /nfs/dbraw/zinc/60/84/98/562608498.db2.gz SYBHKVLAZJSSIY-UHFFFAOYSA-N -3 3 373.390 2.385 20 0 FEADHL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC000541804113 562620071 /nfs/dbraw/zinc/62/00/71/562620071.db2.gz AWEWUBSGYAWAQQ-NSHDSACASA-N -3 3 363.391 2.449 20 0 FEADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000822202073 599230888 /nfs/dbraw/zinc/23/08/88/599230888.db2.gz JRUBBBHDTRWNMY-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1c(C(=O)[O-])sc2[n-]c(COc3nc(C(C)(C)C)no3)nc(=O)c12 ZINC000738293290 599705157 /nfs/dbraw/zinc/70/51/57/599705157.db2.gz YPJPNRFFGZKGRH-UHFFFAOYSA-N -2 3 364.383 2.251 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)o1 ZINC000570043500 599773098 /nfs/dbraw/zinc/77/30/98/599773098.db2.gz YWKNGMKFVSIBEI-IUODEOHRSA-N -2 3 369.370 2.316 20 0 FEADHL CN(CCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000737438386 599773359 /nfs/dbraw/zinc/77/33/59/599773359.db2.gz NXJXJVLFDUTXAB-UHFFFAOYSA-N -2 3 352.412 2.173 20 0 FEADHL C[C@H](COc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736617907 599774469 /nfs/dbraw/zinc/77/44/69/599774469.db2.gz XXTTVVSZWAKHCI-MRVPVSSYSA-N -2 3 361.322 2.002 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2Br)o1 ZINC000048820914 599774792 /nfs/dbraw/zinc/77/47/92/599774792.db2.gz BFTXZERSERBZFW-UHFFFAOYSA-N -2 3 360.185 2.219 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)Nc3ccn(CC(=O)[O-])n3)cc2)cc(=O)[n-]1 ZINC000738830097 599781155 /nfs/dbraw/zinc/78/11/55/599781155.db2.gz VQRVPOZJFDKOAL-UHFFFAOYSA-N -2 3 368.353 2.083 20 0 FEADHL O=C([O-])Nc1cccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000740029708 599989713 /nfs/dbraw/zinc/98/97/13/599989713.db2.gz UUZUDWKMDJGOCI-UHFFFAOYSA-N -2 3 369.377 2.080 20 0 FEADHL O=C([O-])c1coc(C(=O)COC(=O)c2cccc(Br)c2[O-])c1 ZINC000740257429 600110131 /nfs/dbraw/zinc/11/01/31/600110131.db2.gz IHNOMRDCHSASLI-UHFFFAOYSA-N -2 3 369.123 2.486 20 0 FEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c(F)c1 ZINC000737700840 600170115 /nfs/dbraw/zinc/17/01/15/600170115.db2.gz ZASUZEZYRNFOET-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL O=C([O-])Nc1ccc(CCNC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000740020780 600395503 /nfs/dbraw/zinc/39/55/03/600395503.db2.gz UBKFTAMXXBYCLK-WJDWOHSUSA-N -2 3 351.362 2.220 20 0 FEADHL COC(=O)c1sc2[n-]c(CS[C@@H](C)CC(=O)[O-])nc(=O)c2c1C ZINC000737722752 600593229 /nfs/dbraw/zinc/59/32/29/600593229.db2.gz BQJKWWUSIMDFSY-LURJTMIESA-N -2 3 356.425 2.176 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)cc1C(=O)[O-] ZINC000833026668 601215320 /nfs/dbraw/zinc/21/53/20/601215320.db2.gz GZMAWMZTSCJEIE-UHFFFAOYSA-N -2 3 368.392 2.481 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)cc1C(=O)[O-] ZINC000567799338 601221945 /nfs/dbraw/zinc/22/19/45/601221945.db2.gz LTTOCMLQPTUIMF-UHFFFAOYSA-N -2 3 356.425 2.491 20 0 FEADHL CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C12CCCC2 ZINC000567730465 601223773 /nfs/dbraw/zinc/22/37/73/601223773.db2.gz CAUWQDOEISHDJZ-OLZOCXBDSA-N -2 3 357.428 2.302 20 0 FEADHL Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)n1 ZINC000321897827 601234158 /nfs/dbraw/zinc/23/41/58/601234158.db2.gz SZXIQGOCDJAXAR-SSDOTTSWSA-N -2 3 362.379 2.467 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000743267036 601334572 /nfs/dbraw/zinc/33/45/72/601334572.db2.gz XQJQJQNIWSNXPZ-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1-c1nnn[n-]1 ZINC000826304125 607536931 /nfs/dbraw/zinc/53/69/31/607536931.db2.gz XKCKPUZJBXDUTO-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1-c1nn[n-]n1 ZINC000826304125 607536933 /nfs/dbraw/zinc/53/69/33/607536933.db2.gz XKCKPUZJBXDUTO-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)NCCN(C(=O)[O-])C3CC3)cc2)cc(=O)[n-]1 ZINC000740206754 602056381 /nfs/dbraw/zinc/05/63/81/602056381.db2.gz DMFCPBABKWGPHI-UHFFFAOYSA-N -2 3 371.397 2.422 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccs2)c(Br)o1 ZINC000055313326 602140268 /nfs/dbraw/zinc/14/02/68/602140268.db2.gz WZANZAWZYNDPEA-UHFFFAOYSA-N -2 3 366.214 2.280 20 0 FEADHL O=C([O-])N1CCC([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 ZINC000738640970 602314468 /nfs/dbraw/zinc/31/44/68/602314468.db2.gz RZIFBUAJDVFBTH-UHFFFAOYSA-N -2 3 370.324 2.265 20 0 FEADHL NC(=O)c1oc2ccccc2c1[N-]C(=O)c1csc(CNC(=O)[O-])n1 ZINC000740340543 602696497 /nfs/dbraw/zinc/69/64/97/602696497.db2.gz FBXREBHZYBTSQA-UHFFFAOYSA-N -2 3 360.351 2.008 20 0 FEADHL C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(NC(=O)[O-])cc2[O-])C[C@@H](C)O1 ZINC000739172287 602842413 /nfs/dbraw/zinc/84/24/13/602842413.db2.gz DEUQPWATOKGBAV-VXGBXAGGSA-N -2 3 365.430 2.100 20 0 FEADHL O=C([O-])N1CCCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000740517358 602878844 /nfs/dbraw/zinc/87/88/44/602878844.db2.gz WPMMCXCGBJKPSX-QMMMGPOBSA-N -2 3 368.242 2.199 20 0 FEADHL C[C@]1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCCc2ccccc21 ZINC000583021258 605023531 /nfs/dbraw/zinc/02/35/31/605023531.db2.gz BJVOEVROILEIMZ-HNNXBMFYSA-N -2 3 352.437 2.371 20 0 FEADHL CN(C)c1cc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)ccn1 ZINC000833691678 605135476 /nfs/dbraw/zinc/13/54/76/605135476.db2.gz SXXFLIGJUSPSJC-UHFFFAOYSA-N -2 3 361.423 2.065 20 0 FEADHL COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000581427490 605197555 /nfs/dbraw/zinc/19/75/55/605197555.db2.gz UVZCGDSIGMVGJS-LLVKDONJSA-N -2 3 353.396 2.286 20 0 FEADHL CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C12CCCCC2 ZINC000583991874 605209001 /nfs/dbraw/zinc/20/90/01/605209001.db2.gz AOZDXLXPULZALO-OLZOCXBDSA-N -2 3 357.428 2.384 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000833733772 605240633 /nfs/dbraw/zinc/24/06/33/605240633.db2.gz PMFHAMSTCOKYLG-UHFFFAOYSA-N -3 3 366.395 2.311 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1 ZINC000833733988 605240643 /nfs/dbraw/zinc/24/06/43/605240643.db2.gz YBWHEMANCVXAOH-UHFFFAOYSA-N -3 3 351.380 2.219 20 0 FEADHL CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCO1 ZINC000564653290 605300244 /nfs/dbraw/zinc/30/02/44/605300244.db2.gz BQIODYWOOLWRSD-QWRGUYRKSA-N -2 3 362.473 2.103 20 0 FEADHL O=C([O-])N[C@@H]1CCC[C@H]2CN(Cn3[n-]c(-c4ccccn4)nc3=S)C[C@@H]21 ZINC000834186158 605330527 /nfs/dbraw/zinc/33/05/27/605330527.db2.gz VJNRYNZCMOXPFD-RWMBFGLXSA-N -2 3 374.470 2.328 20 0 FEADHL O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000834161824 605992966 /nfs/dbraw/zinc/99/29/66/605992966.db2.gz ICPIKGYRFUAFKZ-HCXFRLDVSA-N -2 3 369.421 2.102 20 0 FEADHL CCCCC[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821050853 606884827 /nfs/dbraw/zinc/88/48/27/606884827.db2.gz UTBYYXQTNHGBSC-SECBINFHSA-N -2 3 359.402 2.392 20 0 FEADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000822202019 606980952 /nfs/dbraw/zinc/98/09/52/606980952.db2.gz HMBDUKCPCCNNRO-UHFFFAOYSA-N -2 3 368.781 2.163 20 0 FEADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000822202019 606980953 /nfs/dbraw/zinc/98/09/53/606980953.db2.gz HMBDUKCPCCNNRO-UHFFFAOYSA-N -2 3 368.781 2.163 20 0 FEADHL CC1(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000824819154 607806352 /nfs/dbraw/zinc/80/63/52/607806352.db2.gz XWTAAZNUBJPWQF-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL CC1(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000824819154 607806353 /nfs/dbraw/zinc/80/63/53/607806353.db2.gz XWTAAZNUBJPWQF-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL CCCC(CCC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825242118 607806423 /nfs/dbraw/zinc/80/64/23/607806423.db2.gz INTGIEDUVNMWDA-UHFFFAOYSA-N -2 3 365.459 2.029 20 0 FEADHL CCCC(CCC)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825242118 607806424 /nfs/dbraw/zinc/80/64/24/607806424.db2.gz INTGIEDUVNMWDA-UHFFFAOYSA-N -2 3 365.459 2.029 20 0 FEADHL CCCS(=O)(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825341719 609161083 /nfs/dbraw/zinc/16/10/83/609161083.db2.gz JBGSIXSETBPSSF-UHFFFAOYSA-N -2 3 364.456 2.066 20 0 FEADHL C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824515062 609267813 /nfs/dbraw/zinc/26/78/13/609267813.db2.gz RTSQMZGEIKECKM-ZETCQYMHSA-N -2 3 363.299 2.481 20 0 FEADHL C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824515062 609267814 /nfs/dbraw/zinc/26/78/14/609267814.db2.gz RTSQMZGEIKECKM-ZETCQYMHSA-N -2 3 363.299 2.481 20 0 FEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(F)(F)F ZINC000560417469 674585437 /nfs/dbraw/zinc/58/54/37/674585437.db2.gz WNNDEWLLJLAGEE-ZCFIWIBFSA-N -2 3 363.716 2.411 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCc2nccs2)c(F)cc1F ZINC000811682378 674620303 /nfs/dbraw/zinc/62/03/03/674620303.db2.gz YRSAXAHVWNBLKQ-UHFFFAOYSA-N -2 3 362.379 2.031 20 0 FEADHL O=c1cc(C2CC2)nc(SCC2=Nc3ccccc3S(=O)(=O)[N-]2)[n-]1 ZINC000564034776 674966433 /nfs/dbraw/zinc/96/64/33/674966433.db2.gz KWVIWMMAMHVJAB-UHFFFAOYSA-N -2 3 362.436 2.174 20 0 FEADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c1 ZINC000007055406 669963459 /nfs/dbraw/zinc/96/34/59/669963459.db2.gz QTNBVNAPBGFDLU-UHFFFAOYSA-N -2 3 362.407 2.022 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@]1(C(=O)[O-])CCSC1 ZINC000570089083 670658871 /nfs/dbraw/zinc/65/88/71/670658871.db2.gz VYULQUSLSIJQOX-CQSZACIVSA-N -2 3 359.400 2.119 20 0 FEADHL COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000575284402 671307946 /nfs/dbraw/zinc/30/79/46/671307946.db2.gz PGRFMAMKTHYDRZ-LLVKDONJSA-N -2 3 353.396 2.459 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H](C)C(=O)[O-] ZINC000576561457 671377230 /nfs/dbraw/zinc/37/72/30/671377230.db2.gz PPDSCBLNUULKPY-NKWVEPMBSA-N -2 3 370.652 2.490 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C1CC1 ZINC000578201914 671648359 /nfs/dbraw/zinc/64/83/59/671648359.db2.gz CIXPPLJLYGHPRW-SNVBAGLBSA-N -2 3 368.636 2.244 20 0 FEADHL O=C([O-])[C@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1ccco1 ZINC000582395189 671997892 /nfs/dbraw/zinc/99/78/92/671997892.db2.gz OWXVQJBGYSXFOC-NSHDSACASA-N -2 3 374.212 2.016 20 0 FEADHL CC(C)(C)OCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000582723981 672028719 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FEADHL Cc1cc(S(=O)(=O)[N-]CCSC[C@H](C)C(=O)[O-])sc1Cl ZINC000592449597 672804666 /nfs/dbraw/zinc/80/46/66/672804666.db2.gz KLZRDQJNFFBHHV-QMMMGPOBSA-N -2 3 357.906 2.442 20 0 FEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]CC(C)(F)F)c1Br ZINC000700081692 673055672 /nfs/dbraw/zinc/05/56/72/673055672.db2.gz OZDCZQNIGYCZKU-UHFFFAOYSA-N -2 3 372.187 2.389 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C)ccc2NC(C)=O)c1 ZINC000539399615 673488416 /nfs/dbraw/zinc/48/84/16/673488416.db2.gz UOKBDYAUPSWHID-UHFFFAOYSA-N -2 3 350.396 2.468 20 0 FEADHL COC(=O)c1ccccc1CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000547544278 673860868 /nfs/dbraw/zinc/86/08/68/673860868.db2.gz LBAYOXNKTAXGTE-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL CSCC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000548534345 673967105 /nfs/dbraw/zinc/96/71/05/673967105.db2.gz RNSBEOXSEPEMGT-LLVKDONJSA-N -2 3 372.493 2.295 20 0 FEADHL CC(C)(C)C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000821245804 675422739 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Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(Cc2nnn[n-]2)cc1 ZINC000485389174 561317999 /nfs/dbraw/zinc/31/79/99/561317999.db2.gz NVPHOSRNHUXJHR-UHFFFAOYSA-N -2 3 361.402 2.347 20 0 FEADHL C[C@H](CCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000230102274 548757530 /nfs/dbraw/zinc/75/75/30/548757530.db2.gz GZCTZDRUVFZZLC-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000274931368 550565609 /nfs/dbraw/zinc/56/56/09/550565609.db2.gz OZRDGDAIIMGBCP-SECBINFHSA-N -2 3 364.217 2.068 20 0 FEADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000274955544 550567398 /nfs/dbraw/zinc/56/73/98/550567398.db2.gz INAXSJAMAFKYEW-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL CSCC[C@@H]([N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl)C(=O)[O-] ZINC000274942880 550566270 /nfs/dbraw/zinc/56/62/70/550566270.db2.gz RFWPNYABEFNIJT-LLVKDONJSA-N -2 3 365.860 2.027 20 0 FEADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)nc1)C(F)(F)F ZINC000285307058 551735558 /nfs/dbraw/zinc/73/55/58/551735558.db2.gz YTHZNYRAJHFBCE-ZETCQYMHSA-N -2 3 360.741 2.057 20 0 FEADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000287598591 552023798 /nfs/dbraw/zinc/02/37/98/552023798.db2.gz QZBKHELGGCCRMR-YUMQZZPRSA-N -2 3 369.292 2.032 20 0 FEADHL CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000289995698 552411241 /nfs/dbraw/zinc/41/12/41/552411241.db2.gz UHJXBTRBLKCKOZ-UHFFFAOYSA-N -2 3 351.371 2.004 20 0 FEADHL C[C@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)OCCc2sccc21 ZINC000290694451 552520867 /nfs/dbraw/zinc/52/08/67/552520867.db2.gz RLGVUTVCAMMPBF-CQSZACIVSA-N -2 3 373.477 2.274 20 0 FEADHL O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc(F)cc2[n-]nnc21 ZINC000503342611 561639760 /nfs/dbraw/zinc/63/97/60/561639760.db2.gz GMOBPCMSRQSWLQ-UHFFFAOYSA-N -2 3 354.370 2.214 20 0 FEADHL O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc(F)cc2nn[n-]c21 ZINC000503342611 561639761 /nfs/dbraw/zinc/63/97/61/561639761.db2.gz GMOBPCMSRQSWLQ-UHFFFAOYSA-N -2 3 354.370 2.214 20 0 FEADHL O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cc(F)cc2n[n-]nc21 ZINC000503342611 561639762 /nfs/dbraw/zinc/63/97/62/561639762.db2.gz GMOBPCMSRQSWLQ-UHFFFAOYSA-N -2 3 354.370 2.214 20 0 FEADHL Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000504292932 561655636 /nfs/dbraw/zinc/65/56/36/561655636.db2.gz GVQOXXQVEQAABS-UHFFFAOYSA-N -2 3 373.427 2.352 20 0 FEADHL Cc1nc(C=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000504720047 561661651 /nfs/dbraw/zinc/66/16/51/561661651.db2.gz GVFKCWFTRPKTMH-AYLMVEPYSA-N -3 3 358.350 2.140 20 0 FEADHL CCOC(=O)COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1 ZINC000504713724 561661655 /nfs/dbraw/zinc/66/16/55/561661655.db2.gz YMYRZXKZQHCCAI-RMKNXTFCSA-N -2 3 372.377 2.230 20 0 FEADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000314278288 553758985 /nfs/dbraw/zinc/75/89/85/553758985.db2.gz KQQSMKCOJCFEQS-SNVBAGLBSA-N -2 3 350.780 2.026 20 0 FEADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000316820060 553761721 /nfs/dbraw/zinc/76/17/21/553761721.db2.gz OCRYVWZUKQROFK-VIFPVBQESA-N -2 3 350.780 2.026 20 0 FEADHL O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000322617564 553768616 /nfs/dbraw/zinc/76/86/16/553768616.db2.gz USBXCJLADXYGAL-ZDUSSCGKSA-N -2 3 357.790 2.453 20 0 FEADHL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)ccc1F ZINC000325819377 553778285 /nfs/dbraw/zinc/77/82/85/553778285.db2.gz MQYRNNJJHYFOIX-UHFFFAOYSA-N -2 3 355.343 2.347 20 0 FEADHL CCC1CCC(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)(C(=O)[O-])CC1 ZINC000326670706 553782688 /nfs/dbraw/zinc/78/26/88/553782688.db2.gz JCEXMAMELWQDRY-UHFFFAOYSA-N -2 3 368.455 2.212 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)ccc1C(=O)[O-] ZINC000507934676 561746695 /nfs/dbraw/zinc/74/66/95/561746695.db2.gz LPZQTFJWLCBTTL-UHFFFAOYSA-N -2 3 360.391 2.231 20 0 FEADHL CC(C)(CCC[N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000515574998 562015797 /nfs/dbraw/zinc/01/57/97/562015797.db2.gz BWTHANZTOJGGPL-UHFFFAOYSA-N -2 3 365.249 2.013 20 0 FEADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1nc(C)cs1 ZINC000517366190 562087007 /nfs/dbraw/zinc/08/70/07/562087007.db2.gz XFLQLPCSJBJVJQ-MRVPVSSYSA-N -2 3 374.415 2.337 20 0 FEADHL Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000517930873 562101034 /nfs/dbraw/zinc/10/10/34/562101034.db2.gz PMBJIICHNMVCHA-JTQLQIEISA-N -2 3 355.416 2.277 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N2CCC2=O)cc1 ZINC000410419245 558756373 /nfs/dbraw/zinc/75/63/73/558756373.db2.gz PHUDMCREIDNEGV-UHFFFAOYSA-N -2 3 360.391 2.231 20 0 FEADHL CO[C@](C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000414333491 559156906 /nfs/dbraw/zinc/15/69/06/559156906.db2.gz MJJNGOFJCZEULT-OAHLLOKOSA-N -2 3 355.437 2.286 20 0 FEADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2cc(C(C)C)ccc2Cl)[n-]1 ZINC000414456770 559165253 /nfs/dbraw/zinc/16/52/53/559165253.db2.gz QZCAVOGKDGRAAG-UHFFFAOYSA-N -2 3 372.834 2.098 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@H](C)CC)c(F)c1 ZINC000420703706 559499312 /nfs/dbraw/zinc/49/93/12/559499312.db2.gz HSOSFYKYXWIHHW-LLVKDONJSA-N -2 3 366.480 2.302 20 0 FEADHL CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000421160870 559527810 /nfs/dbraw/zinc/52/78/10/559527810.db2.gz WKQWRDQDXMSDGP-KRWDZBQOSA-N -2 3 363.435 2.313 20 0 FEADHL Cc1cc(F)cc2c(=O)c(C(=O)N3CCC(c4n[n-]c(=O)o4)CC3)c[n-]c12 ZINC000425316159 559696203 /nfs/dbraw/zinc/69/62/03/559696203.db2.gz CNVDBYCTYWIFNT-UHFFFAOYSA-N -2 3 372.356 2.084 20 0 FEADHL COc1cccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000433608304 559885070 /nfs/dbraw/zinc/88/50/70/559885070.db2.gz NERUNAIRJOHARV-UHFFFAOYSA-N -2 3 374.415 2.007 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)c(F)c1 ZINC000435956885 559933161 /nfs/dbraw/zinc/93/31/61/559933161.db2.gz WYYXPBHTWOYWDL-CYBMUJFWSA-N -2 3 369.345 2.465 20 0 FEADHL Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000436173814 559936771 /nfs/dbraw/zinc/93/67/71/559936771.db2.gz CHFJYGQUPQUKDB-UHFFFAOYSA-N -2 3 355.375 2.161 20 0 FEADHL C[C@@]1(c2ccc(CNC(=O)c3cc(Cl)ccc3[O-])cc2)NC(=O)[N-]C1=O ZINC000436700484 559949104 /nfs/dbraw/zinc/94/91/04/559949104.db2.gz WGAGYHSKBWCLDJ-SFHVURJKSA-N -2 3 373.796 2.030 20 0 FEADHL COc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1[N-]S(C)(=O)=O ZINC000436754102 559950988 /nfs/dbraw/zinc/95/09/88/559950988.db2.gz HGZCLXKNRGJHNX-UHFFFAOYSA-N -2 3 354.359 2.164 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2OC)ccc1[O-] ZINC000436844419 559953851 /nfs/dbraw/zinc/95/38/51/559953851.db2.gz FVXCGAPJAKGWNS-UHFFFAOYSA-N -2 3 373.333 2.266 20 0 FEADHL COc1ccc2c(c1)CCN2S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1[O-] ZINC000436879303 559955039 /nfs/dbraw/zinc/95/50/39/559955039.db2.gz GARLGWCAAPQOEA-UHFFFAOYSA-N -2 3 363.391 2.159 20 0 FEADHL COc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1[N-]S(C)(=O)=O ZINC000438764847 559983138 /nfs/dbraw/zinc/98/31/38/559983138.db2.gz GOOOMBPVODJVKA-UHFFFAOYSA-N -2 3 372.349 2.303 20 0 FEADHL CCc1ncc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])o1 ZINC000451956317 560340397 /nfs/dbraw/zinc/34/03/97/560340397.db2.gz HHESHEFKEJBZGI-UHFFFAOYSA-N -2 3 350.318 2.440 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000466282683 560883345 /nfs/dbraw/zinc/88/33/45/560883345.db2.gz HFNVBESXJOALAO-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1F ZINC000467940486 560920013 /nfs/dbraw/zinc/92/00/13/560920013.db2.gz ZGWUOBNRBUXZEC-UHFFFAOYSA-N -2 3 373.333 2.238 20 0 FEADHL CCC[C@@H]([N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F)C(=O)[O-] ZINC000530135962 562399355 /nfs/dbraw/zinc/39/93/55/562399355.db2.gz BZKIZQVAIFSOMI-MRVPVSSYSA-N -2 3 371.333 2.125 20 0 FEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C(=O)[O-] ZINC000532279585 562472663 /nfs/dbraw/zinc/47/26/63/562472663.db2.gz PICKXTXOAMTNRZ-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000535401170 562557748 /nfs/dbraw/zinc/55/77/48/562557748.db2.gz QXJGAMQSQADETN-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000545829538 562630892 /nfs/dbraw/zinc/63/08/92/562630892.db2.gz KHQKNMWATYMJDP-UHFFFAOYSA-N -3 3 363.391 2.430 20 0 FEADHL O=S(=O)([N-]c1cccc2cccnc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000738342208 598842070 /nfs/dbraw/zinc/84/20/70/598842070.db2.gz OPRLMAVWILUCOU-UHFFFAOYSA-N -2 3 370.369 2.355 20 0 FEADHL O=S(=O)([N-]c1cccc2cccnc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000738342208 598842071 /nfs/dbraw/zinc/84/20/71/598842071.db2.gz OPRLMAVWILUCOU-UHFFFAOYSA-N -2 3 370.369 2.355 20 0 FEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCCC(C)(C)C ZINC000737297933 598976148 /nfs/dbraw/zinc/97/61/48/598976148.db2.gz GEMFFFIVCXKHAQ-UHFFFAOYSA-N -2 3 365.459 2.196 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCCC(C)(C)C ZINC000737297933 598976149 /nfs/dbraw/zinc/97/61/49/598976149.db2.gz GEMFFFIVCXKHAQ-UHFFFAOYSA-N -2 3 365.459 2.196 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)s1 ZINC000776576455 601613155 /nfs/dbraw/zinc/61/31/55/601613155.db2.gz BGFRQUZXMDOFES-SECBINFHSA-N -2 3 368.274 2.351 20 0 FEADHL CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000232945459 602154690 /nfs/dbraw/zinc/15/46/90/602154690.db2.gz QEZSTYWYADLMLV-ZCFIWIBFSA-N -2 3 352.206 2.065 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000737400606 599193617 /nfs/dbraw/zinc/19/36/17/599193617.db2.gz WWUFOZWNOBOUIO-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000737400606 599193620 /nfs/dbraw/zinc/19/36/20/599193620.db2.gz WWUFOZWNOBOUIO-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(F)c1F ZINC000738341687 598594362 /nfs/dbraw/zinc/59/43/62/598594362.db2.gz JYJNKOIWICUZKA-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(F)c1F ZINC000738341687 598594363 /nfs/dbraw/zinc/59/43/63/598594363.db2.gz JYJNKOIWICUZKA-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL C[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322454 599299370 /nfs/dbraw/zinc/29/93/70/599299370.db2.gz STJFDNSAFMMELA-MLGOLLRUSA-N -2 3 365.393 2.302 20 0 FEADHL C[C@@H](NC(=O)C[C@@H](C(=O)[O-])c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322454 599299372 /nfs/dbraw/zinc/29/93/72/599299372.db2.gz STJFDNSAFMMELA-MLGOLLRUSA-N -2 3 365.393 2.302 20 0 FEADHL Cc1cc(COC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)oc1C(=O)[O-] ZINC000738395727 599749145 /nfs/dbraw/zinc/74/91/45/599749145.db2.gz WLQBQXAJGAZTSX-UHFFFAOYSA-N -2 3 371.342 2.154 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1nc(C2CC2)no1 ZINC000565418975 599775140 /nfs/dbraw/zinc/77/51/40/599775140.db2.gz FJURGQCLIFRYTD-CYBMUJFWSA-N -2 3 365.411 2.321 20 0 FEADHL Cc1oc(CN(C)C(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1C(=O)[O-] ZINC000738514879 599815813 /nfs/dbraw/zinc/81/58/13/599815813.db2.gz LGSCHZYTNJWKFI-UHFFFAOYSA-N -2 3 374.393 2.079 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3CCC(C(=O)[O-])CC3)cc2)cc(=O)[n-]1 ZINC000738828664 599957506 /nfs/dbraw/zinc/95/75/06/599957506.db2.gz BFWCQRWWGKCZQJ-UHFFFAOYSA-N -2 3 356.382 2.486 20 0 FEADHL C[C@@]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)(C(=O)[O-])C1CC1 ZINC000736663867 600239950 /nfs/dbraw/zinc/23/99/50/600239950.db2.gz GKXDIAAYFRGKOJ-LBPRGKRZSA-N -2 3 355.309 2.376 20 0 FEADHL O=C([O-])CC[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000139444927 600362590 /nfs/dbraw/zinc/36/25/90/600362590.db2.gz GQALHGGAMHXNCK-CQSZACIVSA-N -2 3 351.362 2.259 20 0 FEADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)c1 ZINC000809226045 674488386 /nfs/dbraw/zinc/48/83/86/674488386.db2.gz KTCUYCOMDTYJDC-VIFPVBQESA-N -2 3 369.773 2.177 20 0 FEADHL Cc1c(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)nnn1-c1ccc(C)cc1 ZINC000738500754 600630811 /nfs/dbraw/zinc/63/08/11/600630811.db2.gz VTZUJIZEXUOCQD-UHFFFAOYSA-N -2 3 372.410 2.005 20 0 FEADHL O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1ccc(O)cc1[O-] ZINC000833234046 600981201 /nfs/dbraw/zinc/98/12/01/600981201.db2.gz NHDKBLAACWRLCT-UHFFFAOYSA-N -2 3 351.305 2.493 20 0 FEADHL CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccco1 ZINC000829666675 601219035 /nfs/dbraw/zinc/21/90/35/601219035.db2.gz OUHQWWMPUSWRGZ-ZDUSSCGKSA-N -2 3 370.427 2.241 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]CCc2nc3c(s2)CCCC3)cc1C(=O)[O-] ZINC000563075993 601219719 /nfs/dbraw/zinc/21/97/19/601219719.db2.gz WVTURRILYUFYJR-UHFFFAOYSA-N -2 3 370.452 2.143 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(Cl)nc2)c1F ZINC000833294242 601231856 /nfs/dbraw/zinc/23/18/56/601231856.db2.gz OMFNESJGDOCUTH-UHFFFAOYSA-N -2 3 362.741 2.190 20 0 FEADHL CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C1 ZINC000738023341 601327069 /nfs/dbraw/zinc/32/70/69/601327069.db2.gz WWBODITXPHXMCL-UHFFFAOYSA-N -2 3 364.398 2.313 20 0 FEADHL CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cs1 ZINC000831500660 601523898 /nfs/dbraw/zinc/52/38/98/601523898.db2.gz LFJBLWFDLZTUNP-QMMMGPOBSA-N -2 3 374.415 2.166 20 0 FEADHL C[C@H](C(=O)[O-])[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000826037912 601603354 /nfs/dbraw/zinc/60/33/54/601603354.db2.gz BUYYPFCDEKWKFL-BONVTDFDSA-N -2 3 367.361 2.154 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C1CC1 ZINC000137199111 601612853 /nfs/dbraw/zinc/61/28/53/601612853.db2.gz GEZOUUJLOUNAIQ-ZETCQYMHSA-N -2 3 354.247 2.042 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1F ZINC000547870297 601810560 /nfs/dbraw/zinc/81/05/60/601810560.db2.gz NOPJRHVINAJNRA-ZDUSSCGKSA-N -2 3 363.288 2.347 20 0 FEADHL CCc1cc(=O)[n-]c(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)n1 ZINC000830223978 601904534 /nfs/dbraw/zinc/90/45/34/601904534.db2.gz CLBVIJAHBPBABR-OAHLLOKOSA-N -2 3 355.316 2.420 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CC=CC2)c(F)cc1Br ZINC000833303042 601965217 /nfs/dbraw/zinc/96/52/17/601965217.db2.gz FFVNXFZAYVBDKG-UHFFFAOYSA-N -2 3 364.192 2.283 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c(Br)o1 ZINC000380317619 602009124 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CCN(CCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000739420460 602877926 /nfs/dbraw/zinc/87/79/26/602877926.db2.gz CXZMJUANOAPWMU-UHFFFAOYSA-N -2 3 356.231 2.057 20 0 FEADHL CC(C)[C@](C)(CNC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000738774815 603085196 /nfs/dbraw/zinc/08/51/96/603085196.db2.gz YETLIYDOYKWGBS-ZDUSSCGKSA-N -2 3 352.815 2.440 20 0 FEADHL O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000832349830 603985181 /nfs/dbraw/zinc/98/51/81/603985181.db2.gz JSSXVZUTNDHOFJ-LSDHHAIUSA-N -2 3 372.429 2.090 20 0 FEADHL O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)Nc1ccc(-c3nnn[n-]3)cc1)C2 ZINC000831307902 603995870 /nfs/dbraw/zinc/99/58/70/603995870.db2.gz JNKSMSBJFVZCTK-FTNCPSPGSA-N -2 3 356.386 2.116 20 0 FEADHL O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)Nc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000831307902 603995875 /nfs/dbraw/zinc/99/58/75/603995875.db2.gz JNKSMSBJFVZCTK-FTNCPSPGSA-N -2 3 356.386 2.116 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C1CC1 ZINC000776576769 604486220 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2.420 20 0 FEADHL CC(C)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc([O-])c(Br)c1 ZINC000824210448 605413254 /nfs/dbraw/zinc/41/32/54/605413254.db2.gz GRBXNCKSOMMZFS-LLVKDONJSA-N -2 3 359.220 2.453 20 0 FEADHL O=C([O-])Nc1cnc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)cn1 ZINC000834277317 606014501 /nfs/dbraw/zinc/01/45/01/606014501.db2.gz ARWFTOYCAGXYLI-UHFFFAOYSA-N -2 3 356.367 2.261 20 0 FEADHL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000822432065 606214689 /nfs/dbraw/zinc/21/46/89/606214689.db2.gz VFJUBYLGSSNXMX-UHFFFAOYSA-N -2 3 370.847 2.394 20 0 FEADHL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000822432065 606214690 /nfs/dbraw/zinc/21/46/90/606214690.db2.gz VFJUBYLGSSNXMX-UHFFFAOYSA-N -2 3 370.847 2.394 20 0 FEADHL O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)c([O-])c(F)c1 ZINC000823422163 606311670 /nfs/dbraw/zinc/31/16/70/606311670.db2.gz PAUDOUMKJGSXBA-UHFFFAOYSA-N -2 3 350.256 2.347 20 0 FEADHL O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)c([O-])c(F)c1 ZINC000823422163 606311671 /nfs/dbraw/zinc/31/16/71/606311671.db2.gz PAUDOUMKJGSXBA-UHFFFAOYSA-N -2 3 350.256 2.347 20 0 FEADHL CCCc1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825351826 608489496 /nfs/dbraw/zinc/48/94/96/608489496.db2.gz JMQMOUNGZGMLQM-UHFFFAOYSA-N -2 3 350.429 2.077 20 0 FEADHL CCCc1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825351826 608489498 /nfs/dbraw/zinc/48/94/98/608489498.db2.gz JMQMOUNGZGMLQM-UHFFFAOYSA-N -2 3 350.429 2.077 20 0 FEADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825083044 608581836 /nfs/dbraw/zinc/58/18/36/608581836.db2.gz WXYFLGARNJCUKT-JTQLQIEISA-N -2 3 361.431 2.143 20 0 FEADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825083044 608581837 /nfs/dbraw/zinc/58/18/37/608581837.db2.gz WXYFLGARNJCUKT-JTQLQIEISA-N -2 3 361.431 2.143 20 0 FEADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1C ZINC000825080728 608582179 /nfs/dbraw/zinc/58/21/79/608582179.db2.gz BSCQOJIBQWNCTO-SNVBAGLBSA-N -2 3 361.431 2.143 20 0 FEADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1C ZINC000825080728 608582181 /nfs/dbraw/zinc/58/21/81/608582181.db2.gz BSCQOJIBQWNCTO-SNVBAGLBSA-N -2 3 361.431 2.143 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)c(F)cc1Br ZINC000562737384 674799147 /nfs/dbraw/zinc/79/91/47/674799147.db2.gz QZYAHXUJGHQAGG-NSHDSACASA-N -2 3 366.208 2.038 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C1(Cc2cccc(F)c2)CCC1 ZINC000563070286 674844106 /nfs/dbraw/zinc/84/41/06/674844106.db2.gz VZRQJPWBSCGIAS-UHFFFAOYSA-N -2 3 370.427 2.424 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)c1 ZINC000563070264 674844115 /nfs/dbraw/zinc/84/41/15/674844115.db2.gz ZJTUPYVVCINFLP-CYBMUJFWSA-N -2 3 353.421 2.287 20 0 FEADHL CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n1 ZINC000563073488 674845064 /nfs/dbraw/zinc/84/50/64/674845064.db2.gz YERDKTSFHFJPNB-UHFFFAOYSA-N -2 3 358.441 2.253 20 0 FEADHL COc1ccc2c(c1)CCC[C@@H]2C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000564917439 675076539 /nfs/dbraw/zinc/07/65/39/675076539.db2.gz TUVWEVJWKGYYAX-GFCCVEGCSA-N -2 3 365.407 2.385 20 0 FEADHL C[C@]1([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000569358721 670549377 /nfs/dbraw/zinc/54/93/77/670549377.db2.gz JGUULNWTVHASPD-RNCFNFMXSA-N -2 3 366.361 2.412 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCCCOc2ccc(F)cc2)c1 ZINC000565715356 675146003 /nfs/dbraw/zinc/14/60/03/675146003.db2.gz VNGVZEHRZCXVJY-UHFFFAOYSA-N -2 3 357.359 2.254 20 0 FEADHL Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000572637144 671026193 /nfs/dbraw/zinc/02/61/93/671026193.db2.gz QWJCGPXRFINJCG-GOEBONIOSA-N -2 3 365.407 2.485 20 0 FEADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C(=O)[O-] ZINC000574858495 671281764 /nfs/dbraw/zinc/28/17/64/671281764.db2.gz ONMGGAORIRNSBO-SNVBAGLBSA-N -2 3 368.224 2.428 20 0 FEADHL CCO[C@H](CC[N-]S(=O)(=O)c1csnc1C(=O)[O-])C1CCCC1 ZINC000566174594 675189868 /nfs/dbraw/zinc/18/98/68/675189868.db2.gz SBVSGRWGSZBBSS-LLVKDONJSA-N -2 3 362.473 2.105 20 0 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/nfs/dbraw/zinc/67/32/60/672673260.db2.gz CYSFCODWUBYXAT-LBPRGKRZSA-N -2 3 362.379 2.088 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)CCCc2cccs2)c(Cl)n1 ZINC000193327211 672720183 /nfs/dbraw/zinc/72/01/83/672720183.db2.gz XLUDSPBTMIVNGG-UHFFFAOYSA-N -2 3 373.887 2.437 20 0 FEADHL C[C@H](CSCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000592447649 672804040 /nfs/dbraw/zinc/80/40/40/672804040.db2.gz GADTYVNWIPRQAP-MRVPVSSYSA-N -2 3 355.840 2.211 20 0 FEADHL C[C@H](CSCC[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000592448535 672804412 /nfs/dbraw/zinc/80/44/12/672804412.db2.gz MDVQPYLNRZMVJT-MRVPVSSYSA-N -2 3 355.840 2.211 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C2(C(=O)OC(C)(C)C)CCCC2)oc1C(=O)[O-] ZINC000596087141 673357399 /nfs/dbraw/zinc/35/73/99/673357399.db2.gz GLHWIGIAALKYGB-UHFFFAOYSA-N -2 3 373.427 2.219 20 0 FEADHL CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000538299462 673432687 /nfs/dbraw/zinc/43/26/87/673432687.db2.gz ZXNUGLIRFMMGPE-UHFFFAOYSA-N -2 3 364.423 2.260 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cncc(C)c2)cc1F ZINC000539473839 673492142 /nfs/dbraw/zinc/49/21/42/673492142.db2.gz AWZWDJATVFZXBO-UHFFFAOYSA-N -2 3 373.431 2.092 20 0 FEADHL COc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc(Cl)c1[O-] ZINC000614387103 676173044 /nfs/dbraw/zinc/17/30/44/676173044.db2.gz LKOXDTWXAJMPAY-MRVPVSSYSA-N -2 3 353.762 2.163 20 0 FEADHL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1 ZINC000547911379 673903257 /nfs/dbraw/zinc/90/32/57/673903257.db2.gz LNIBWXAXJYPVAF-UHFFFAOYSA-N -2 3 366.370 2.307 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cccc(F)c1 ZINC000547917399 673904300 /nfs/dbraw/zinc/90/43/00/673904300.db2.gz IBOPJFPWGAUGJC-CYBMUJFWSA-N -2 3 363.288 2.347 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(O)cc2)cc1F ZINC000548199779 673933216 /nfs/dbraw/zinc/93/32/16/673933216.db2.gz JEDJWDAAMDBLKE-CQSZACIVSA-N -2 3 357.334 2.083 20 0 FEADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548212507 673935355 /nfs/dbraw/zinc/93/53/55/673935355.db2.gz NKXPCWJSQQBCPM-BXUZGUMPSA-N -2 3 351.346 2.416 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(Br)c2F)CCCC1 ZINC000548771423 673994193 /nfs/dbraw/zinc/99/41/93/673994193.db2.gz BULMRBGMHKSSPR-UHFFFAOYSA-N -2 3 366.208 2.264 20 0 FEADHL Cc1nc(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)sc1C(=O)[O-] ZINC000548530039 673966313 /nfs/dbraw/zinc/96/63/13/673966313.db2.gz PQBNKEGTKBBGFQ-UHFFFAOYSA-N -2 3 366.342 2.046 20 0 FEADHL COc1ccc([C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C2CC2)cc1 ZINC000566853257 675248114 /nfs/dbraw/zinc/24/81/14/675248114.db2.gz INVSWIMCBNXOKM-ZDUSSCGKSA-N -2 3 368.436 2.280 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCCOC1 ZINC000819107945 675261118 /nfs/dbraw/zinc/26/11/18/675261118.db2.gz RZHXWTJEFSTTTE-MRXNPFEDSA-N -2 3 371.386 2.183 20 0 FEADHL COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000567793781 675323350 /nfs/dbraw/zinc/32/33/50/675323350.db2.gz FWALIVGMZPGACQ-UHFFFAOYSA-N -2 3 353.396 2.286 20 0 FEADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)o1 ZINC000567797942 675324350 /nfs/dbraw/zinc/32/43/50/675324350.db2.gz FRMUUNKAEYYKEO-OAHLLOKOSA-N -2 3 367.423 2.135 20 0 FEADHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000630434261 676900906 /nfs/dbraw/zinc/90/09/06/676900906.db2.gz MRLDGJUFZVEGSC-KYZUINATSA-N -2 3 352.334 2.022 20 0 FEADHL COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000645959288 677275862 /nfs/dbraw/zinc/27/58/62/677275862.db2.gz AIKLSUVVNAVJDG-UHFFFAOYSA-N -2 3 370.452 2.106 20 0 FEADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000650426644 677373255 /nfs/dbraw/zinc/37/32/55/677373255.db2.gz POGSNTWAUWTUSL-SSDOTTSWSA-N -2 3 355.309 2.376 20 0 FEADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000650426788 677373287 /nfs/dbraw/zinc/37/32/87/677373287.db2.gz ULNPYLASOGNPOO-JTQLQIEISA-N -2 3 352.437 2.342 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)cs1 ZINC000656181791 677725426 /nfs/dbraw/zinc/72/54/26/677725426.db2.gz WINZJZANZKRDQD-GMSGAONNSA-N -2 3 373.374 2.225 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2cccc(OC3CC3)c2F)c1 ZINC000656719768 677813350 /nfs/dbraw/zinc/81/33/50/677813350.db2.gz NVKJQBJPDZOQDL-UHFFFAOYSA-N -2 3 355.343 2.137 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc(C(=O)[O-])c1F ZINC000762473223 680750861 /nfs/dbraw/zinc/75/08/61/680750861.db2.gz HFNVUAKUAUROEU-UHFFFAOYSA-N -2 3 357.334 2.265 20 0 FEADHL Cc1nc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c(-c2ccccc2)s1 ZINC000663289886 678715374 /nfs/dbraw/zinc/71/53/74/678715374.db2.gz ILIHQIQUOGWJEI-UHFFFAOYSA-N -2 3 352.437 2.404 20 0 FEADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F ZINC000663293385 678717232 /nfs/dbraw/zinc/71/72/32/678717232.db2.gz FUPQZHDQUJXTHL-SECBINFHSA-N -2 3 357.325 2.456 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1C(=O)[O-] ZINC000663431673 678738925 /nfs/dbraw/zinc/73/89/25/678738925.db2.gz MUOFXBXDLBNDLW-NWANDNLSSA-N -2 3 351.355 2.042 20 0 FEADHL CO[C@H](C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000840892480 680850046 /nfs/dbraw/zinc/85/00/46/680850046.db2.gz UHGZPAWGEZSCOK-SSDOTTSWSA-N -2 3 356.227 2.395 20 0 FEADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844785161 681082173 /nfs/dbraw/zinc/08/21/73/681082173.db2.gz JTEULLJBKZPSLJ-MRVPVSSYSA-N -2 3 352.815 2.432 20 0 FEADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CO1 ZINC000844895145 681091035 /nfs/dbraw/zinc/09/10/35/681091035.db2.gz GRTWRSPJIDAUTM-XPUUQOCRSA-N -2 3 354.211 2.147 20 0 FEADHL O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2cccc(Cl)c2[O-])CC1 ZINC000775774044 681333800 /nfs/dbraw/zinc/33/38/00/681333800.db2.gz OMVXWFBMFDFZEL-UHFFFAOYSA-N -2 3 360.797 2.349 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1OCCO ZINC000782266601 682023015 /nfs/dbraw/zinc/02/30/15/682023015.db2.gz LGAKEBORZHRMCR-UHFFFAOYSA-N -2 3 369.370 2.004 20 0 FEADHL CCc1ccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])cc1 ZINC000852734723 682331301 /nfs/dbraw/zinc/33/13/01/682331301.db2.gz CUUSFJHQSIKLCI-KBPBESRZSA-N -2 3 358.360 2.345 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2c(C)onc2OC(F)F)c1 ZINC000788130543 682505788 /nfs/dbraw/zinc/50/57/88/682505788.db2.gz HGHSKSQSUVZHKJ-UHFFFAOYSA-N -2 3 350.299 2.099 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]Cc2cccc(CCC(=O)[O-])c2)s1 ZINC000863418877 683720849 /nfs/dbraw/zinc/72/08/49/683720849.db2.gz IUMRJLALMCDGHJ-UHFFFAOYSA-N -2 3 354.453 2.201 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]Cc2nc(CC(=O)[O-])cs2)sc1Cl ZINC000871768989 684853257 /nfs/dbraw/zinc/85/32/57/684853257.db2.gz BMUDZPWCYVHOKY-UHFFFAOYSA-N -2 3 366.873 2.272 20 0 FEADHL C[C@@H]1CC[C@H](C(=O)[O-])C[C@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000871768874 684853390 /nfs/dbraw/zinc/85/33/90/684853390.db2.gz BSGXRHQBZKRXPB-KXUCPTDWSA-N -2 3 366.361 2.268 20 0 FEADHL O=C([O-])CC1CC([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000899933269 690443435 /nfs/dbraw/zinc/44/34/35/690443435.db2.gz NDUBZDXXWANFFZ-UHFFFAOYSA-N -2 3 366.208 2.120 20 0 FEADHL CCOCc1nc(C)cc(=N[N-]S(=O)(=O)c2cccc(Cl)c2F)[n-]1 ZINC000901739441 690686221 /nfs/dbraw/zinc/68/62/21/690686221.db2.gz QENVIRBGOUNOFW-UHFFFAOYSA-N -2 3 374.825 2.419 20 0 FEADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc([O-])cc(Br)c1 ZINC000909677438 691845102 /nfs/dbraw/zinc/84/51/02/691845102.db2.gz MVFSEAYPOFPHCZ-JCOFBHIZSA-N -2 3 354.200 2.480 20 0 FEADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000235507185 548765962 /nfs/dbraw/zinc/76/59/62/548765962.db2.gz AEVJCEMNDFKJLZ-RQJHMYQMSA-N -2 3 370.652 2.490 20 0 FEADHL COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000031668908 539915714 /nfs/dbraw/zinc/91/57/14/539915714.db2.gz OHOLUNQBYIYIBY-UHFFFAOYSA-N -2 3 351.380 2.346 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cc1C(=O)[O-] ZINC000032087615 539928200 /nfs/dbraw/zinc/92/82/00/539928200.db2.gz HCQGREKEBGVCNT-UHFFFAOYSA-N -2 3 360.391 2.379 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000035085771 539979188 /nfs/dbraw/zinc/97/91/88/539979188.db2.gz SGPRXDGMIOIJDE-MRVPVSSYSA-N -2 3 356.625 2.244 20 0 FEADHL C[C@]1(c2cccc(NC(=O)c3ccc([O-])c(Cl)c3)c2)NC(=O)[N-]C1=O ZINC000047168090 540293815 /nfs/dbraw/zinc/29/38/15/540293815.db2.gz RQUGHKGHKSEXAH-QGZVFWFLSA-N -2 3 359.769 2.353 20 0 FEADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC000057124257 540769967 /nfs/dbraw/zinc/76/99/67/540769967.db2.gz PABCVSOGOGKISG-UHFFFAOYSA-N -2 3 369.370 2.350 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cnc(C(C)(C)C)nc2)ccc1[O-] ZINC000063849955 541188397 /nfs/dbraw/zinc/18/83/97/541188397.db2.gz KUESULDPQDKSPV-UHFFFAOYSA-N -2 3 365.411 2.067 20 0 FEADHL C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077383464 542375263 /nfs/dbraw/zinc/37/52/63/542375263.db2.gz PFZMTXPXAHYSHD-MFKMUULPSA-N -2 3 364.464 2.054 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])sc1Br ZINC000137483334 544390407 /nfs/dbraw/zinc/39/04/07/544390407.db2.gz NXTHIVQPPPSXTD-UHFFFAOYSA-N -2 3 356.263 2.208 20 0 FEADHL O=C(NCc1ccc([O-])c(Br)c1)c1nc2ccccc2c(=O)[n-]1 ZINC000153777673 544821825 /nfs/dbraw/zinc/82/18/25/544821825.db2.gz JDPMKXFUDZIMOJ-UHFFFAOYSA-N -2 3 374.194 2.321 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2N(C)C(C)=O)c1 ZINC000553150828 674241781 /nfs/dbraw/zinc/24/17/81/674241781.db2.gz HNLPOGCVISNIDT-UHFFFAOYSA-N -2 3 350.396 2.184 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Cl ZINC000121123366 326314974 /nfs/dbraw/zinc/31/49/74/326314974.db2.gz DAULKPVJZNBANF-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1Cl ZINC000121123366 326314976 /nfs/dbraw/zinc/31/49/76/326314976.db2.gz DAULKPVJZNBANF-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=C(CC[N-]S(=O)(=O)c1ccccc1F)Nc1ccc(Cl)cc1[O-] ZINC000153466255 326733653 /nfs/dbraw/zinc/73/36/53/326733653.db2.gz NIMZCDTXPAEEOJ-UHFFFAOYSA-N -2 3 372.805 2.492 20 0 FEADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161810887 327010019 /nfs/dbraw/zinc/01/00/19/327010019.db2.gz QAOOSHJFDWSLLK-SSDOTTSWSA-N -2 3 354.197 2.120 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])c(Cl)c1 ZINC000261666388 328809979 /nfs/dbraw/zinc/80/99/79/328809979.db2.gz JUYJECIFJQVRTO-UHFFFAOYSA-N -2 3 363.819 2.048 20 0 FEADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000262160648 328846995 /nfs/dbraw/zinc/84/69/95/328846995.db2.gz BZFCKWFFEARJFW-VIFPVBQESA-N -2 3 368.224 2.366 20 0 FEADHL CCOc1cc([N-]S(=O)(=O)C[C@@H]2CCCO2)c(C(=O)[O-])cc1OCC ZINC000265437281 329126801 /nfs/dbraw/zinc/12/68/01/329126801.db2.gz UTFGBDVXECKZEJ-NSHDSACASA-N -2 3 373.427 2.103 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c(SCCC(=O)[O-])c1 ZINC000274987939 329999691 /nfs/dbraw/zinc/99/96/91/329999691.db2.gz YPTYNAGLFZIQIK-LBPRGKRZSA-N -2 3 359.469 2.483 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-]C[C@@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000275049876 330005418 /nfs/dbraw/zinc/00/54/18/330005418.db2.gz SHIUEQLBCSQFOO-CYBMUJFWSA-N -2 3 369.464 2.287 20 0 FEADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2c(C)cccc2F)(C(=O)[O-])C1(C)C ZINC000275639276 330073390 /nfs/dbraw/zinc/07/33/90/330073390.db2.gz NAZWHYZWKNJMSJ-LRDDRELGSA-N -2 3 359.419 2.071 20 0 FEADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2ccc(C)cc2F)(C(=O)[O-])C1(C)C ZINC000275661889 330075639 /nfs/dbraw/zinc/07/56/39/330075639.db2.gz PCFOZCPVVKWQNK-XJKSGUPXSA-N -2 3 359.419 2.071 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@H](C)C(=O)[O-] ZINC000311613962 553754606 /nfs/dbraw/zinc/75/46/06/553754606.db2.gz FYLOXTRJAMOVLB-BQBZGAKWSA-N -2 3 370.652 2.490 20 0 FEADHL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccc([O-])c(C(=O)OC)c2)c1C ZINC000480195036 561204582 /nfs/dbraw/zinc/20/45/82/561204582.db2.gz JCRIWMHLVMJFBK-JTQLQIEISA-N -2 3 367.427 2.456 20 0 FEADHL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1C ZINC000481454441 561233120 /nfs/dbraw/zinc/23/31/20/561233120.db2.gz IVNOMQCTVFOWHK-UHFFFAOYSA-N -3 3 364.379 2.158 20 0 FEADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc2c(c(C(=O)[O-])c1)OCCO2 ZINC000484974766 561309666 /nfs/dbraw/zinc/30/96/66/561309666.db2.gz WVTNSELBGGXVOR-UHFFFAOYSA-N -2 3 367.354 2.404 20 0 FEADHL O=C1Cc2cc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)cc3c2N1CCC3 ZINC000184898634 547896014 /nfs/dbraw/zinc/89/60/14/547896014.db2.gz SFGHKCZIRXJYBY-UHFFFAOYSA-N -2 3 362.382 2.167 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@@H](C)N2CCC[C@H](C)C2)c1 ZINC000184916064 547898632 /nfs/dbraw/zinc/89/86/32/547898632.db2.gz PDGPRGPCWUTEGD-WCQYABFASA-N -2 3 372.462 2.231 20 0 FEADHL COc1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)c(Cl)cc1C(=O)[O-] ZINC000487261536 561366818 /nfs/dbraw/zinc/36/68/18/561366818.db2.gz AHVAYSKWYRWDJJ-SFYZADRCSA-N -2 3 351.783 2.216 20 0 FEADHL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cn1 ZINC000488375071 561388854 /nfs/dbraw/zinc/38/88/54/561388854.db2.gz ZUGBASAIWHLMEZ-VIFPVBQESA-N -3 3 351.384 2.059 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1 ZINC000489476918 561412311 /nfs/dbraw/zinc/41/23/11/561412311.db2.gz OIZWGJMWCKYLRF-NSHDSACASA-N -2 3 360.313 2.205 20 0 FEADHL O=C([O-])CCN1CC[C@H](c2ccc(F)cc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000262292406 549807443 /nfs/dbraw/zinc/80/74/43/549807443.db2.gz HRTXGNCOYDDGCR-CHWSQXEVSA-N -2 3 362.323 2.137 20 0 FEADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000263151864 549881841 /nfs/dbraw/zinc/88/18/41/549881841.db2.gz FLJCDBINEXNOIE-GXSJLCMTSA-N -2 3 371.231 2.407 20 0 FEADHL CN(C)CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000271229695 550355548 /nfs/dbraw/zinc/35/55/48/550355548.db2.gz SZDUZSFQUMAMMO-UHFFFAOYSA-N -2 3 370.452 2.188 20 0 FEADHL COc1ccc(CN[C@]2(C(=O)[O-])CCSC2)c(Br)c1[O-] ZINC000283783239 551426462 /nfs/dbraw/zinc/42/64/62/551426462.db2.gz DQDMYOJVICKAKS-CYBMUJFWSA-N -2 3 362.245 2.213 20 0 FEADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000283881307 551443351 /nfs/dbraw/zinc/44/33/51/551443351.db2.gz JCGJTPPUWPVYEH-KRTXAFLBSA-N -2 3 369.361 2.039 20 0 FEADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000284101789 551483975 /nfs/dbraw/zinc/48/39/75/551483975.db2.gz WFCLRPJQPGMXKA-PELKAZGASA-N -2 3 367.826 2.414 20 0 FEADHL Cc1cc(F)cc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000285178183 551716342 /nfs/dbraw/zinc/71/63/42/551716342.db2.gz QEBSZYPTTXLUIO-VIFPVBQESA-N -2 3 357.325 2.456 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000310681836 553753139 /nfs/dbraw/zinc/75/31/39/553753139.db2.gz SEWRFRLWMOYBJU-MRVPVSSYSA-N -2 3 356.625 2.244 20 0 FEADHL CCOc1nc2ccc(C(=O)N3CCCC[C@H]3c3n[nH]c(=O)[n-]3)cc2[n-]1 ZINC000329430780 553945273 /nfs/dbraw/zinc/94/52/73/553945273.db2.gz KITONVYWOOXPMC-ZDUSSCGKSA-N -2 3 356.386 2.153 20 0 FEADHL CCOc1nc2cc(C(=O)N3CCCC[C@H]3c3n[nH]c(=O)[n-]3)ccc2[n-]1 ZINC000329430780 553945275 /nfs/dbraw/zinc/94/52/75/553945275.db2.gz KITONVYWOOXPMC-ZDUSSCGKSA-N -2 3 356.386 2.153 20 0 FEADHL COC(=O)[C@H](CS(=O)(=O)[N-]c1cc([O-])cc(F)c1)c1ccccc1 ZINC000507937028 561746547 /nfs/dbraw/zinc/74/65/47/561746547.db2.gz NWZKRMHJXFTSTD-OAHLLOKOSA-N -2 3 353.371 2.230 20 0 FEADHL CCOc1cccc([C@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000515643456 562018007 /nfs/dbraw/zinc/01/80/07/562018007.db2.gz UCCJPSKTDLKPFS-VIFPVBQESA-N -2 3 356.425 2.280 20 0 FEADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])CC1 ZINC000517089324 562075411 /nfs/dbraw/zinc/07/54/11/562075411.db2.gz PSTYBTNQDIUQHM-UHFFFAOYSA-N -2 3 361.803 2.266 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1Cl ZINC000521604740 562179977 /nfs/dbraw/zinc/17/99/77/562179977.db2.gz BGVXMXJBGJPWIK-UHFFFAOYSA-N -2 3 366.782 2.033 20 0 FEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000390404231 558611089 /nfs/dbraw/zinc/61/10/89/558611089.db2.gz UPOJKLFTTOWCQI-UHFFFAOYSA-N -2 3 366.342 2.339 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC)c1nccs1 ZINC000391469490 558614388 /nfs/dbraw/zinc/61/43/88/558614388.db2.gz KYVMDPCVEKQXTO-JTQLQIEISA-N -2 3 356.425 2.280 20 0 FEADHL COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000393172323 558620506 /nfs/dbraw/zinc/62/05/06/558620506.db2.gz PBCCOMJCUILALE-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)CC(C)(C)C1 ZINC000408492995 558683598 /nfs/dbraw/zinc/68/35/98/558683598.db2.gz AVDRGBRXJXNUGO-WDEREUQCSA-N -2 3 350.444 2.225 20 0 FEADHL O=c1cc(CSc2n[n-]c(=NC[C@H]3CCCO3)s2)nc(C2CC2)[n-]1 ZINC000412993060 559069321 /nfs/dbraw/zinc/06/93/21/559069321.db2.gz WTPQOAWINXFYOX-LLVKDONJSA-N -2 3 365.484 2.794 20 0 FEADHL COC(=O)c1ccc(C)c([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1[O-] ZINC000421152159 559527067 /nfs/dbraw/zinc/52/70/67/559527067.db2.gz KIXJUOVVRXJSPX-LBPRGKRZSA-N -2 3 359.444 2.290 20 0 FEADHL CC(C)(CC[N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000424393275 559662878 /nfs/dbraw/zinc/66/28/78/559662878.db2.gz RERUVYAGBPOBAI-UHFFFAOYSA-N -2 3 368.224 2.367 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c[nH]1 ZINC000432077161 559851348 /nfs/dbraw/zinc/85/13/48/559851348.db2.gz GDECDUJKQZIUFT-UHFFFAOYSA-N -2 3 354.771 2.296 20 0 FEADHL O=C1NCc2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])cc21 ZINC000436475576 559942346 /nfs/dbraw/zinc/94/23/46/559942346.db2.gz GSLDNWQVGWJGPL-UHFFFAOYSA-N -2 3 372.324 2.455 20 0 FEADHL O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)c1ccc([O-])c(Cl)c1 ZINC000436647707 559947496 /nfs/dbraw/zinc/94/74/96/559947496.db2.gz NEENEOAYTYDEJB-CYBMUJFWSA-N -2 3 359.769 2.048 20 0 FEADHL NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436727717 559950103 /nfs/dbraw/zinc/95/01/03/559950103.db2.gz BTIMDRQYAFWAIA-UHFFFAOYSA-N -2 3 358.375 2.151 20 0 FEADHL COc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1[N-]S(C)(=O)=O ZINC000436756157 559951013 /nfs/dbraw/zinc/95/10/13/559951013.db2.gz PTLVXNCEWRWQBI-UHFFFAOYSA-N -2 3 354.359 2.164 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1 ZINC000436820186 559953103 /nfs/dbraw/zinc/95/31/03/559953103.db2.gz LBVTWZPHWYMMEW-UHFFFAOYSA-N -3 3 355.343 2.240 20 0 FEADHL COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1O ZINC000436897378 559955726 /nfs/dbraw/zinc/95/57/26/559955726.db2.gz YAIZIXKBYORFNE-UHFFFAOYSA-N -2 3 367.379 2.002 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-c3cncnc3)cc2)c1 ZINC000436994016 559959071 /nfs/dbraw/zinc/95/90/71/559959071.db2.gz KCWUQOFNUPZDOH-UHFFFAOYSA-N -3 3 371.374 2.348 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(C)(C)CC)c(F)c1 ZINC000450969104 560280529 /nfs/dbraw/zinc/28/05/29/560280529.db2.gz KVPVHWCYJIFEFI-UHFFFAOYSA-N -2 3 366.480 2.444 20 0 FEADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc([O-])cc(Br)c1 ZINC000451102825 560287321 /nfs/dbraw/zinc/28/73/21/560287321.db2.gz FALHQNBQIYHBKD-UHFFFAOYSA-N -2 3 366.233 2.096 20 0 FEADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])n1 ZINC000451143307 560289702 /nfs/dbraw/zinc/28/97/02/560289702.db2.gz DXMVDQOVKLSWEO-ZCFIWIBFSA-N -2 3 351.306 2.142 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC[C@@H](C)F)c(F)c1 ZINC000451577171 560315743 /nfs/dbraw/zinc/31/57/43/560315743.db2.gz AFVSDRUYMGMGEE-SNVBAGLBSA-N -2 3 370.443 2.004 20 0 FEADHL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc([O-])c(C(=O)OC)c2)c1 ZINC000470510100 560983725 /nfs/dbraw/zinc/98/37/25/560983725.db2.gz UCAVTIQGGNDCMR-UHFFFAOYSA-N -2 3 351.380 2.248 20 0 FEADHL Cc1cc(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)ccc1C(=O)[O-] ZINC000532256048 562471719 /nfs/dbraw/zinc/47/17/19/562471719.db2.gz DXMZOIPAUJCAOV-UHFFFAOYSA-N -2 3 366.370 2.456 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC000822258846 607258998 /nfs/dbraw/zinc/25/89/98/607258998.db2.gz FAOUSIKOZFENOJ-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC000822258846 607258999 /nfs/dbraw/zinc/25/89/99/607258999.db2.gz FAOUSIKOZFENOJ-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL CN(CCC(=O)[O-])C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000820579953 597655824 /nfs/dbraw/zinc/65/58/24/597655824.db2.gz OBEBWIHUCLPUMF-KRWDZBQOSA-N -2 3 370.405 2.187 20 0 FEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000737062437 598307457 /nfs/dbraw/zinc/30/74/57/598307457.db2.gz MFHRASSBJQNJBA-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000737296220 598307829 /nfs/dbraw/zinc/30/78/29/598307829.db2.gz FHYBXBHXAVIYBM-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL C[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322998 599298931 /nfs/dbraw/zinc/29/89/31/599298931.db2.gz VPZKGRDGOZATGY-LBPRGKRZSA-N -2 3 357.414 2.469 20 0 FEADHL C[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322998 599298934 /nfs/dbraw/zinc/29/89/34/599298934.db2.gz VPZKGRDGOZATGY-LBPRGKRZSA-N -2 3 357.414 2.469 20 0 FEADHL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821049528 599619920 /nfs/dbraw/zinc/61/99/20/599619920.db2.gz KSZWBYOBTFNKIZ-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821049528 599619921 /nfs/dbraw/zinc/61/99/21/599619921.db2.gz KSZWBYOBTFNKIZ-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)(F)F)cc2)o1 ZINC000391780621 599767443 /nfs/dbraw/zinc/76/74/43/599767443.db2.gz YEWMQWLGCGYBLA-UHFFFAOYSA-N -2 3 365.285 2.355 20 0 FEADHL O=C([O-])CC[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccc1 ZINC000739662401 599938799 /nfs/dbraw/zinc/93/87/99/599938799.db2.gz BUDPTPATPAGSBN-TXQCQQFXSA-N -2 3 350.374 2.493 20 0 FEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(F)c1 ZINC000737698854 600236453 /nfs/dbraw/zinc/23/64/53/600236453.db2.gz DNDLRBZOIAQSNO-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)c1cc(F)ccc1F ZINC000739511530 600444998 /nfs/dbraw/zinc/44/49/98/600444998.db2.gz HWISKKUIWVOOIO-NSHDSACASA-N -2 3 362.741 2.117 20 0 FEADHL C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000809150551 674485481 /nfs/dbraw/zinc/48/54/81/674485481.db2.gz IJKKCECHRPCMDY-PSLIRLAXSA-N -2 3 351.355 2.324 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)c(F)cc1F ZINC000809151294 674485703 /nfs/dbraw/zinc/48/57/03/674485703.db2.gz WQEDTWOZXBAXNR-SECBINFHSA-N -2 3 369.345 2.118 20 0 FEADHL C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736764508 600632743 /nfs/dbraw/zinc/63/27/43/600632743.db2.gz GCURFTAUQBTYHQ-NKWVEPMBSA-N -2 3 366.208 2.221 20 0 FEADHL COC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1C(=O)[O-] ZINC000831434756 600689551 /nfs/dbraw/zinc/68/95/51/600689551.db2.gz BGNHPAAUZIENBE-UHFFFAOYSA-N -2 3 363.391 2.156 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000555771574 600775689 /nfs/dbraw/zinc/77/56/89/600775689.db2.gz IEROYOMAUOZIBW-NSHDSACASA-N -2 3 359.325 2.251 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2CC2)c(F)cc1Br ZINC000833305014 600785493 /nfs/dbraw/zinc/78/54/93/600785493.db2.gz RZZQLIAVJNOODG-UHFFFAOYSA-N -2 3 366.208 2.365 20 0 FEADHL CO[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC000831519179 600797563 /nfs/dbraw/zinc/79/75/63/600797563.db2.gz LXWBGACZOUIQQI-LBPRGKRZSA-N -2 3 359.787 2.297 20 0 FEADHL NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c(F)c1 ZINC000833086708 600831724 /nfs/dbraw/zinc/83/17/24/600831724.db2.gz RERKTBKBXYWPNR-UHFFFAOYSA-N -2 3 372.761 2.077 20 0 FEADHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1 ZINC000739739112 601117243 /nfs/dbraw/zinc/11/72/43/601117243.db2.gz MEXIURMMCZFVCT-UHFFFAOYSA-N -2 3 355.343 2.186 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)cc1O ZINC000325867749 601117591 /nfs/dbraw/zinc/11/75/91/601117591.db2.gz HVIFRSJQUZBPBA-UHFFFAOYSA-N -2 3 351.380 2.355 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)cc1C(=O)[O-] ZINC000833027880 601217174 /nfs/dbraw/zinc/21/71/74/601217174.db2.gz ZIURKUAAXOXWHQ-UHFFFAOYSA-N -2 3 362.363 2.420 20 0 FEADHL Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc(C)c1OCC(=O)[O-] ZINC000832864960 601675208 /nfs/dbraw/zinc/67/52/08/601675208.db2.gz IRRUNDQIQLVRBD-UHFFFAOYSA-N -2 3 367.365 2.199 20 0 FEADHL Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc(C)c1OCC(=O)[O-] ZINC000832864960 601675210 /nfs/dbraw/zinc/67/52/10/601675210.db2.gz IRRUNDQIQLVRBD-UHFFFAOYSA-N -2 3 367.365 2.199 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c2n[nH]cc21 ZINC000826304146 607536959 /nfs/dbraw/zinc/53/69/59/607536959.db2.gz YJJXLFCJXNRVGV-UHFFFAOYSA-N -2 3 369.410 2.161 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c2n[nH]cc21 ZINC000826304146 607536961 /nfs/dbraw/zinc/53/69/61/607536961.db2.gz YJJXLFCJXNRVGV-UHFFFAOYSA-N -2 3 369.410 2.161 20 0 FEADHL O=C([O-])N(CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000740488907 602045342 /nfs/dbraw/zinc/04/53/42/602045342.db2.gz RXEDMQQOSUUGQS-UHFFFAOYSA-N -2 3 353.227 2.414 20 0 FEADHL C[C@H](CC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000827303557 602150273 /nfs/dbraw/zinc/15/02/73/602150273.db2.gz GYXSXXDYZMYGNN-SSDOTTSWSA-N -2 3 368.333 2.126 20 0 FEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000677235058 602323225 /nfs/dbraw/zinc/32/32/25/602323225.db2.gz WDWKXNWJEMUHQP-UHFFFAOYSA-N -3 3 369.326 2.037 20 0 FEADHL CC(C)N(CCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000824347225 603112534 /nfs/dbraw/zinc/11/25/34/603112534.db2.gz WCTTWNUHCOFEHM-UHFFFAOYSA-N -2 3 354.350 2.161 20 0 FEADHL O=C([O-])NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000832493191 603129458 /nfs/dbraw/zinc/12/94/58/603129458.db2.gz ZQLSYTUSKWCPKD-SCZZXKLOSA-N -2 3 350.799 2.194 20 0 FEADHL C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823711930 603262296 /nfs/dbraw/zinc/26/22/96/603262296.db2.gz GNTOEEVWGBLEDQ-IAQYHMDHSA-N -2 3 366.381 2.450 20 0 FEADHL C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823711930 603262298 /nfs/dbraw/zinc/26/22/98/603262298.db2.gz GNTOEEVWGBLEDQ-IAQYHMDHSA-N -2 3 366.381 2.450 20 0 FEADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H]3CCCN(C(=O)[O-])C3)c2)n1 ZINC000829893897 603473760 /nfs/dbraw/zinc/47/37/60/603473760.db2.gz KRVUZQCTDLFXPU-ZDUSSCGKSA-N -2 3 357.366 2.453 20 0 FEADHL O=C([O-])NCc1nnc(-c2ccc(NC(=O)c3cc(F)ccc3[O-])cc2)[nH]1 ZINC000832730250 603473947 /nfs/dbraw/zinc/47/39/47/603473947.db2.gz POXREYFSQSMELH-UHFFFAOYSA-N -2 3 371.328 2.336 20 0 FEADHL O=C([O-])N[C@@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)Cc1ccccc1 ZINC000832114115 603484649 /nfs/dbraw/zinc/48/46/49/603484649.db2.gz SLUJWBGNZNEWEJ-CYBMUJFWSA-N -2 3 366.381 2.074 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)NC(C)(C)CNC(=O)[O-])cc2)cc(=O)[n-]1 ZINC000830687118 603644994 /nfs/dbraw/zinc/64/49/94/603644994.db2.gz SNTYAMYPKVBBRE-UHFFFAOYSA-N -2 3 359.386 2.325 20 0 FEADHL CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](NC(=O)[O-])c2ccccc2)c1 ZINC000823611596 603928445 /nfs/dbraw/zinc/92/84/45/603928445.db2.gz QYTJAKPGPCKNNF-HNNXBMFYSA-N -2 3 357.366 2.089 20 0 FEADHL O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000832358667 603944596 /nfs/dbraw/zinc/94/45/96/603944596.db2.gz KQRQFFHBAFAEMH-UONOGXRCSA-N -2 3 358.402 2.412 20 0 FEADHL O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000832358667 603944599 /nfs/dbraw/zinc/94/45/99/603944599.db2.gz KQRQFFHBAFAEMH-UONOGXRCSA-N -2 3 358.402 2.412 20 0 FEADHL Cc1cc(C(=O)[O-])c2c(n1)nc(S[C@@H](C)c1nc(C)cc(=O)[n-]1)[nH]c2=O ZINC000832899641 604716249 /nfs/dbraw/zinc/71/62/49/604716249.db2.gz QYCAKLNVKMYCEW-QMMMGPOBSA-N -2 3 373.394 2.394 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(OC)c1C(=O)[O-] ZINC000833734640 604859323 /nfs/dbraw/zinc/85/93/23/604859323.db2.gz QQZRXHZDHUFJDM-UHFFFAOYSA-N -2 3 373.333 2.481 20 0 FEADHL CC(C)(CO)[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000833461783 605051899 /nfs/dbraw/zinc/05/18/99/605051899.db2.gz KXLOIUQCYZBCKU-CYBMUJFWSA-N -2 3 367.423 2.058 20 0 FEADHL O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000834161826 605992956 /nfs/dbraw/zinc/99/29/56/605992956.db2.gz ICPIKGYRFUAFKZ-OUUZPPNRSA-N -2 3 369.421 2.102 20 0 FEADHL O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1c(F)cc([O-])cc1F ZINC000823414355 606130376 /nfs/dbraw/zinc/13/03/76/606130376.db2.gz VOVUKQIPFGTNLA-UHFFFAOYSA-N -2 3 350.256 2.347 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nnn[n-]2)ccc1O)c1cc2ccccc2o1 ZINC000823583167 606633061 /nfs/dbraw/zinc/63/30/61/606633061.db2.gz JXMHCQQLDAJHKY-UHFFFAOYSA-N -2 3 357.351 2.119 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cc2ccccc2o1 ZINC000823583167 606633062 /nfs/dbraw/zinc/63/30/62/606633062.db2.gz JXMHCQQLDAJHKY-UHFFFAOYSA-N -2 3 357.351 2.119 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cnc1Cl ZINC000822209347 606638283 /nfs/dbraw/zinc/63/82/83/606638283.db2.gz DUGDUVXPCYFMEO-UHFFFAOYSA-N -2 3 368.781 2.163 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cnc1Cl ZINC000822209347 606638284 /nfs/dbraw/zinc/63/82/84/606638284.db2.gz DUGDUVXPCYFMEO-UHFFFAOYSA-N -2 3 368.781 2.163 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589187 606865271 /nfs/dbraw/zinc/86/52/71/606865271.db2.gz RRENBTGQTCMYHS-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589187 606865273 /nfs/dbraw/zinc/86/52/73/606865273.db2.gz RRENBTGQTCMYHS-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCCC1 ZINC000820438758 606891605 /nfs/dbraw/zinc/89/16/05/606891605.db2.gz WGBXKEGOIZOWHZ-MRVPVSSYSA-N -2 3 357.386 2.002 20 0 FEADHL O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000823108751 607220244 /nfs/dbraw/zinc/22/02/44/607220244.db2.gz RFJKCSJBZAWUKM-UHFFFAOYSA-N -2 3 352.379 2.478 20 0 FEADHL O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000823108751 607220245 /nfs/dbraw/zinc/22/02/45/607220245.db2.gz RFJKCSJBZAWUKM-UHFFFAOYSA-N -2 3 352.379 2.478 20 0 FEADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000823078607 607221359 /nfs/dbraw/zinc/22/13/59/607221359.db2.gz OWTXTGPGZIKVPU-UHFFFAOYSA-N -2 3 352.379 2.478 20 0 FEADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000823078607 607221360 /nfs/dbraw/zinc/22/13/60/607221360.db2.gz OWTXTGPGZIKVPU-UHFFFAOYSA-N -2 3 352.379 2.478 20 0 FEADHL O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)c(F)c([O-])c1F ZINC000826441419 609269284 /nfs/dbraw/zinc/26/92/84/609269284.db2.gz CRQTWCRZHYDOKM-UHFFFAOYSA-N -2 3 367.262 2.059 20 0 FEADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)c(F)c([O-])c1F ZINC000826441419 609269286 /nfs/dbraw/zinc/26/92/86/609269286.db2.gz CRQTWCRZHYDOKM-UHFFFAOYSA-N -2 3 367.262 2.059 20 0 FEADHL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826299988 609529215 /nfs/dbraw/zinc/52/92/15/609529215.db2.gz CUMBIKKTEUJUGS-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826299988 609529216 /nfs/dbraw/zinc/52/92/16/609529216.db2.gz CUMBIKKTEUJUGS-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826324579 609531103 /nfs/dbraw/zinc/53/11/03/609531103.db2.gz WZJPEDPMEDDZRD-UHFFFAOYSA-N -2 3 370.847 2.394 20 0 FEADHL Cc1nc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826324579 609531105 /nfs/dbraw/zinc/53/11/05/609531105.db2.gz WZJPEDPMEDDZRD-UHFFFAOYSA-N -2 3 370.847 2.394 20 0 FEADHL C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000563927809 674954557 /nfs/dbraw/zinc/95/45/57/674954557.db2.gz KJHKEQQIFIKNIE-CPCISQLKSA-N -2 3 353.318 2.323 20 0 FEADHL C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000563927814 674954785 /nfs/dbraw/zinc/95/47/85/674954785.db2.gz KJHKEQQIFIKNIE-HQJQHLMTSA-N -2 3 353.318 2.323 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCCC1 ZINC000564780780 675061107 /nfs/dbraw/zinc/06/11/07/675061107.db2.gz IIXNDUGIQAWBPR-UHFFFAOYSA-N -2 3 352.334 2.024 20 0 FEADHL O=C([N-][N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1F ZINC000047521734 670244204 /nfs/dbraw/zinc/24/42/04/670244204.db2.gz VHVUPMGXGJVYQA-UHFFFAOYSA-N -2 3 373.749 2.011 20 0 FEADHL O=C(CCOc1ccccc1)[N-][N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000060838592 670389786 /nfs/dbraw/zinc/38/97/86/670389786.db2.gz KLHYZGGBHBDIKV-UHFFFAOYSA-N -2 3 372.805 2.258 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](C)COCc2ccccc2)cc1C(=O)[O-] ZINC000569336960 670545421 /nfs/dbraw/zinc/54/54/21/670545421.db2.gz VAHPFUDVWOFXIB-GFCCVEGCSA-N -2 3 367.423 2.417 20 0 FEADHL C[C@@]1([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCCC[C@H]1C(=O)[O-] ZINC000569358722 670549246 /nfs/dbraw/zinc/54/92/46/670549246.db2.gz JGUULNWTVHASPD-TVQRCGJNSA-N -2 3 366.361 2.412 20 0 FEADHL COCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccc(C)o1 ZINC000565537094 675130772 /nfs/dbraw/zinc/13/07/72/675130772.db2.gz HTALOCKMQKYYBZ-LBPRGKRZSA-N -2 3 357.384 2.244 20 0 FEADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cccnc1C(=O)[O-])C(F)(F)F ZINC000570679472 670752050 /nfs/dbraw/zinc/75/20/50/670752050.db2.gz YHWVKKYPYZCYBG-SECBINFHSA-N -2 3 354.350 2.425 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@H](C)C(=O)[O-] ZINC000573079817 671079428 /nfs/dbraw/zinc/07/94/28/671079428.db2.gz KPWSAEMGWZKTGM-BQBZGAKWSA-N -2 3 370.652 2.490 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCCOc3c(F)cccc32)c1 ZINC000573603520 671141859 /nfs/dbraw/zinc/14/18/59/671141859.db2.gz DKNUYSTYXDSALZ-GFCCVEGCSA-N -2 3 355.343 2.309 20 0 FEADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000574206562 671214725 /nfs/dbraw/zinc/21/47/25/671214725.db2.gz YJBRCUZHOISGPR-SCZZXKLOSA-N -2 3 352.334 2.022 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2F)cc1C(=O)[O-] ZINC000574570809 671255565 /nfs/dbraw/zinc/25/55/65/671255565.db2.gz RDUYIKVGZVAFNZ-SECBINFHSA-N -2 3 357.359 2.171 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@H](C)Oc2ccccc2F)cc1C(=O)[O-] ZINC000574570812 671255658 /nfs/dbraw/zinc/25/56/58/671255658.db2.gz RDUYIKVGZVAFNZ-VIFPVBQESA-N -2 3 357.359 2.171 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000579349944 671729568 /nfs/dbraw/zinc/72/95/68/671729568.db2.gz TXUHYHITYOGATD-AAEUAGOBSA-N -2 3 368.436 2.040 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000580070357 671780876 /nfs/dbraw/zinc/78/08/76/671780876.db2.gz CNWQCJGPKDKLLW-SNVBAGLBSA-N -2 3 367.427 2.034 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2cccc(C(C)=O)c2[O-])CCCC1 ZINC000580074662 671781224 /nfs/dbraw/zinc/78/12/24/671781224.db2.gz YLAOBNIHWURJQO-UHFFFAOYSA-N -2 3 355.412 2.070 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccccc1Cl ZINC000582962620 672050432 /nfs/dbraw/zinc/05/04/32/672050432.db2.gz OXQTVLRQYHXVNB-UHFFFAOYSA-N -2 3 357.819 2.017 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000584134440 672159105 /nfs/dbraw/zinc/15/91/05/672159105.db2.gz MANXRZNBFKPAFH-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-]CCC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000584266667 672171200 /nfs/dbraw/zinc/17/12/00/672171200.db2.gz FWGGJAFXAAJBER-OAHLLOKOSA-N -2 3 366.439 2.293 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c1 ZINC000678822602 672445665 /nfs/dbraw/zinc/44/56/65/672445665.db2.gz XXVQZYIQDPOCTG-UHFFFAOYSA-N -2 3 351.380 2.363 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)c1 ZINC000678825367 672445739 /nfs/dbraw/zinc/44/57/39/672445739.db2.gz RVPPGOJBZBQXPN-UHFFFAOYSA-N -2 3 350.396 2.184 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(CC(=O)[O-])cc2)cc1F ZINC000681571135 672674133 /nfs/dbraw/zinc/67/41/33/672674133.db2.gz JYUCMLVXPXGUBX-UHFFFAOYSA-N -2 3 369.389 2.421 20 0 FEADHL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)C[C@@H](OC)C(C)C)c1[O-] ZINC000592352819 672790545 /nfs/dbraw/zinc/79/05/45/672790545.db2.gz QVYRJDXYZYTHGS-GFCCVEGCSA-N -2 3 365.835 2.245 20 0 FEADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000682896695 672797056 /nfs/dbraw/zinc/79/70/56/672797056.db2.gz OYMGXFGJYJVFOH-MGCOHNPYSA-N -2 3 366.361 2.270 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)c1 ZINC000538298725 673432536 /nfs/dbraw/zinc/43/25/36/673432536.db2.gz AZVZEOVMAHRSHS-HSZRJFAPSA-N -2 3 369.464 2.389 20 0 FEADHL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000538298940 673432635 /nfs/dbraw/zinc/43/26/35/673432635.db2.gz QWGMBWBQFPHWGP-UHFFFAOYSA-N -2 3 355.343 2.127 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ncccc2C)cc1F ZINC000538368200 673436365 /nfs/dbraw/zinc/43/63/65/673436365.db2.gz YPGQVYLUJJBSBH-UHFFFAOYSA-N -2 3 373.431 2.092 20 0 FEADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000547559151 673863412 /nfs/dbraw/zinc/86/34/12/673863412.db2.gz YFZQALLSXLKACF-WCBMZHEXSA-N -2 3 368.238 2.152 20 0 FEADHL COCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000826164577 675683521 /nfs/dbraw/zinc/68/35/21/675683521.db2.gz HPSUCFJQSNPBDS-UHFFFAOYSA-N -2 3 359.411 2.122 20 0 FEADHL CC1(C)[C@@H](c2ccccc2)[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000629333741 676847808 /nfs/dbraw/zinc/84/78/08/676847808.db2.gz AYDICSGFIJFPQV-AAEUAGOBSA-N -2 3 352.437 2.312 20 0 FEADHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000653341666 677525442 /nfs/dbraw/zinc/52/54/42/677525442.db2.gz JRUOVVXTUKLCQI-LBPRGKRZSA-N -2 3 367.199 2.226 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)c2ccccc2)s1 ZINC000656518885 677763900 /nfs/dbraw/zinc/76/39/00/677763900.db2.gz BASQQZSSXBOTAJ-IINYFYTJSA-N -2 3 354.453 2.241 20 0 FEADHL C[C@@](CCF)([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000656725937 677817640 /nfs/dbraw/zinc/81/76/40/677817640.db2.gz WYRHKBXAJCIVMB-AWEZNQCLSA-N -2 3 358.416 2.291 20 0 FEADHL Cc1nc(C=Cc2cc(C(F)(F)F)nn2C)[n-]c(=O)c1CCC(=O)[O-] ZINC000663227452 678704632 /nfs/dbraw/zinc/70/46/32/678704632.db2.gz NICKZWFYGJQYDZ-HWKANZROSA-N -2 3 356.304 2.431 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)oc1C(=O)[O-] ZINC000663424140 678735791 /nfs/dbraw/zinc/73/57/91/678735791.db2.gz NASOQOPAIHOMCA-UHFFFAOYSA-N -2 3 370.330 2.240 20 0 FEADHL CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840891394 680849923 /nfs/dbraw/zinc/84/99/23/680849923.db2.gz SARSVQGGDFPDHA-UHFFFAOYSA-N -2 3 360.338 2.000 20 0 FEADHL CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCO1 ZINC000840899187 680851394 /nfs/dbraw/zinc/85/13/94/680851394.db2.gz ZUJDUAFNBYVVEP-VIFPVBQESA-N -2 3 363.382 2.147 20 0 FEADHL CON(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000834849175 680276869 /nfs/dbraw/zinc/27/68/69/680276869.db2.gz RWWSNSZTVWOXDV-UHFFFAOYSA-N -2 3 370.814 2.480 20 0 FEADHL COCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1 ZINC000766579384 680882094 /nfs/dbraw/zinc/88/20/94/680882094.db2.gz BYFXJFVZZMXHHB-UHFFFAOYSA-N -2 3 365.407 2.270 20 0 FEADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000768045184 680935896 /nfs/dbraw/zinc/93/58/96/680935896.db2.gz DQCCBRNWARBSLN-UHFFFAOYSA-N -2 3 360.750 2.167 20 0 FEADHL O=C([O-])[C@H](CCCc1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000776549836 681403146 /nfs/dbraw/zinc/40/31/46/681403146.db2.gz WUZUYSDMTRFPIC-ZDUSSCGKSA-N -2 3 368.842 2.489 20 0 FEADHL COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)s1 ZINC000788061315 682500009 /nfs/dbraw/zinc/50/00/09/682500009.db2.gz DCAJZNBCKSUUOS-UHFFFAOYSA-N -2 3 374.415 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20 0 FEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C2CCCCCC2)c(F)c1 ZINC000067717984 541504250 /nfs/dbraw/zinc/50/42/50/541504250.db2.gz USBXKMAWPRPOJN-UHFFFAOYSA-N -2 3 364.464 2.198 20 0 FEADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000123897608 543789791 /nfs/dbraw/zinc/78/97/91/543789791.db2.gz XARQTSANWWTXIQ-ZETCQYMHSA-N -2 3 356.263 2.290 20 0 FEADHL O=C(Nc1cc(Br)ccc1[O-])c1ccc2c(c1)C(=O)[N-]C2=O ZINC000126483438 543938280 /nfs/dbraw/zinc/93/82/80/543938280.db2.gz MKOYHYZONUMSLQ-UHFFFAOYSA-N -2 3 361.151 2.291 20 0 FEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000090933014 325369018 /nfs/dbraw/zinc/36/90/18/325369018.db2.gz HKPFDUBBXBQPQU-UHFFFAOYSA-N -2 3 350.780 2.112 20 0 FEADHL COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)c(Cl)c1Cl ZINC000261760918 328817733 /nfs/dbraw/zinc/81/77/33/328817733.db2.gz XQMSZDUWRPRNTA-LLVKDONJSA-N -2 3 356.227 2.390 20 0 FEADHL CCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000262618916 328876857 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3 363.457 2.093 20 0 FEADHL CCOc1cc([N-]S(=O)(=O)Cc2ccon2)c(C(=O)[O-])cc1OCC ZINC000275227199 330024198 /nfs/dbraw/zinc/02/41/98/330024198.db2.gz JBMRCIPKLGEMDY-UHFFFAOYSA-N -2 3 370.383 2.112 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c1Br ZINC000275244719 330026123 /nfs/dbraw/zinc/02/61/23/330026123.db2.gz KPYDFLFPVFLPOZ-ZETCQYMHSA-N -2 3 372.187 2.144 20 0 FEADHL Cc1nc(CC[N-]S(=O)(=O)c2cc(C)ccc2F)sc1C(=O)[O-] ZINC000275343046 330037482 /nfs/dbraw/zinc/03/74/82/330037482.db2.gz VKQFTCDGBKFEEL-UHFFFAOYSA-N -2 3 358.416 2.118 20 0 FEADHL CSc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)s1 ZINC000275486261 330054476 /nfs/dbraw/zinc/05/44/76/330054476.db2.gz AQFVXTTWKPQHSA-UHFFFAOYSA-N -2 3 373.481 2.054 20 0 FEADHL CSc1nnc(C[N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)s1 ZINC000275747908 330084406 /nfs/dbraw/zinc/08/44/06/330084406.db2.gz WKGCVUKSYVADSI-UHFFFAOYSA-N -2 3 373.481 2.054 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000554726651 674332749 /nfs/dbraw/zinc/33/27/49/674332749.db2.gz WGNARNULUHKBRJ-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL COc1c(F)cc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1F ZINC000481469467 561233365 /nfs/dbraw/zinc/23/33/65/561233365.db2.gz UNHWBDRIARMMGZ-UHFFFAOYSA-N -2 3 372.349 2.438 20 0 FEADHL CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)C[C@H](C)c3nnn[n-]3)n2)cc1 ZINC000183415577 547654434 /nfs/dbraw/zinc/65/44/34/547654434.db2.gz DVPIRGLFQAJCRO-LBPRGKRZSA-N -2 3 369.429 2.090 20 0 FEADHL CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)C[C@H](C)c3nn[n-]n3)n2)cc1 ZINC000183415577 547654438 /nfs/dbraw/zinc/65/44/38/547654438.db2.gz DVPIRGLFQAJCRO-LBPRGKRZSA-N -2 3 369.429 2.090 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cs1 ZINC000484548949 561299618 /nfs/dbraw/zinc/29/96/18/561299618.db2.gz WGIKYKFWWXPCCM-UHFFFAOYSA-N -2 3 359.356 2.173 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H](C)CCc2cccn2C)c1 ZINC000185079402 547929000 /nfs/dbraw/zinc/92/90/00/547929000.db2.gz SLSVNOFLLOHVBZ-LBPRGKRZSA-N -2 3 368.430 2.470 20 0 FEADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)n[n-]1 ZINC000185290983 547965208 /nfs/dbraw/zinc/96/52/08/547965208.db2.gz MWJFSDDYJBYSPH-UHFFFAOYSA-N -2 3 352.347 2.008 20 0 FEADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000262308579 549809413 /nfs/dbraw/zinc/80/94/13/549809413.db2.gz NFXHEGPMNPINIQ-VIFPVBQESA-N -2 3 354.350 2.126 20 0 FEADHL CCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000262671410 549837413 /nfs/dbraw/zinc/83/74/13/549837413.db2.gz POSLZYJHJSAQOI-VIFPVBQESA-N -2 3 354.197 2.120 20 0 FEADHL COC(=O)c1cccc(CS(=O)(=O)[N-]c2n[n-]c(SC(C)C)n2)c1 ZINC000270693247 550297418 /nfs/dbraw/zinc/29/74/18/550297418.db2.gz RNTHUKBWYZHDJC-UHFFFAOYSA-N -2 3 370.456 2.034 20 0 FEADHL COC(=O)c1ccc(CS(=O)(=O)[N-]c2n[n-]c(SC(C)C)n2)cc1 ZINC000278464996 550789554 /nfs/dbraw/zinc/78/95/54/550789554.db2.gz FYLBWSITNDPHAL-UHFFFAOYSA-N -2 3 370.456 2.034 20 0 FEADHL C[C@@H](CCC[N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000281979991 551165297 /nfs/dbraw/zinc/16/52/97/551165297.db2.gz UYSWHRTUBOYNPH-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000283051067 551303593 /nfs/dbraw/zinc/30/35/93/551303593.db2.gz SEWRFRLWMOYBJU-QMMMGPOBSA-N -2 3 356.625 2.244 20 0 FEADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)C1 ZINC000291919463 552674788 /nfs/dbraw/zinc/67/47/88/552674788.db2.gz UQKUDFCCOGLUDH-HTQZYQBOSA-N -2 3 369.292 2.032 20 0 FEADHL O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000299150722 553522063 /nfs/dbraw/zinc/52/20/63/553522063.db2.gz YPJNAHJNGQIBEZ-SECBINFHSA-N -2 3 373.800 2.025 20 0 FEADHL Cc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1-n1cncn1 ZINC000504733920 561661749 /nfs/dbraw/zinc/66/17/49/561661749.db2.gz WJFGIEJAJJTNRP-XQRVVYSFSA-N -2 3 351.366 2.177 20 0 FEADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000309811824 553752660 /nfs/dbraw/zinc/75/26/60/553752660.db2.gz WRRRUTJONFZWCA-CABZTGNLSA-N -2 3 360.363 2.046 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(Cl)c1 ZINC000325004231 553774408 /nfs/dbraw/zinc/77/44/08/553774408.db2.gz BBALZZRMVSINKK-UHFFFAOYSA-N -2 3 367.770 2.009 20 0 FEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000326942072 553784604 /nfs/dbraw/zinc/78/46/04/553784604.db2.gz YBJXGFMYPZRGFO-UHFFFAOYSA-N -3 3 369.326 2.037 20 0 FEADHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c1ccccc1 ZINC000327380270 553788337 /nfs/dbraw/zinc/78/83/37/553788337.db2.gz VAFMONPNEVDNRV-CYBMUJFWSA-N -2 3 364.379 2.050 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCCc2cccc(C)n2)c1 ZINC000505819803 561681797 /nfs/dbraw/zinc/68/17/97/561681797.db2.gz HUQILRPZSGCYHR-UHFFFAOYSA-N -2 3 366.414 2.447 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c1 ZINC000505822038 561682011 /nfs/dbraw/zinc/68/20/11/561682011.db2.gz UORCVXCQVDBKAS-UHFFFAOYSA-N -2 3 355.309 2.453 20 0 FEADHL C[C@@]1(c2cccc(-c3noc(-c4cc(F)ccc4[O-])n3)c2)NC(=O)[N-]C1=O ZINC000350564352 554797920 /nfs/dbraw/zinc/79/79/20/554797920.db2.gz FJQRMWBVSUNLFT-SFHVURJKSA-N -2 3 368.324 2.303 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000514789619 561979702 /nfs/dbraw/zinc/97/97/02/561979702.db2.gz MIXFVHVRWKVCQH-GXFFZTMASA-N -2 3 354.453 2.062 20 0 FEADHL CCOc1cccc([C@@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000515643455 562018038 /nfs/dbraw/zinc/01/80/38/562018038.db2.gz UCCJPSKTDLKPFS-SECBINFHSA-N -2 3 356.425 2.280 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000368971051 556463048 /nfs/dbraw/zinc/46/30/48/556463048.db2.gz YVNRJNATOIZJAV-UHFFFAOYSA-N -2 3 360.391 2.460 20 0 FEADHL CCc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000516461597 562043560 /nfs/dbraw/zinc/04/35/60/562043560.db2.gz XPKPIEOAVJDQLM-ZDUSSCGKSA-N -2 3 351.380 2.342 20 0 FEADHL CCOc1ccncc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccsc1 ZINC000518383486 562110228 /nfs/dbraw/zinc/11/02/28/562110228.db2.gz LZQAGBVSZDXUEM-LLVKDONJSA-N -2 3 356.425 2.036 20 0 FEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)c1C ZINC000518388589 562110366 /nfs/dbraw/zinc/11/03/66/562110366.db2.gz UYCKXVYYUWXAMR-UHFFFAOYSA-N -2 3 365.407 2.174 20 0 FEADHL CC(C)(C)c1cc(CS(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)no1 ZINC000518528088 562113818 /nfs/dbraw/zinc/11/38/18/562113818.db2.gz PXYQBWHZUQMKCL-GFCCVEGCSA-N -2 3 358.441 2.279 20 0 FEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-][C@H]2COc3cccc(Cl)c32)s1 ZINC000377428618 558338762 /nfs/dbraw/zinc/33/87/62/558338762.db2.gz BLNVPGPWVZDESW-JTQLQIEISA-N -2 3 373.839 2.441 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000392721454 558618511 /nfs/dbraw/zinc/61/85/11/558618511.db2.gz IXEMTMULXPCLDN-UHFFFAOYSA-N -2 3 362.407 2.328 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C1CCC1 ZINC000399258649 558627944 /nfs/dbraw/zinc/62/79/44/558627944.db2.gz KJNAAQCQFKZPGI-LLVKDONJSA-N -2 3 366.208 2.120 20 0 FEADHL Cc1cc(C(=O)N=c2[n-]nc(SCc3ccccc3)s2)[n-]c(=O)n1 ZINC000409606456 558707600 /nfs/dbraw/zinc/70/76/00/558707600.db2.gz JORLBWBREAXJNI-UHFFFAOYSA-N -2 3 359.436 2.887 20 0 FEADHL COc1ccc(-c2nc(C)c(C(=O)N=c3ccc([O-])n[n-]3)s2)c(F)c1 ZINC000409956273 558729913 /nfs/dbraw/zinc/72/99/13/558729913.db2.gz MYWCQAMICOJSTQ-UHFFFAOYSA-N -2 3 360.370 3.014 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1)C(F)F ZINC000414322964 559156137 /nfs/dbraw/zinc/15/61/37/559156137.db2.gz IABWNZSOYNJZTE-LLVKDONJSA-N -2 3 369.361 2.391 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1)C(F)F ZINC000414323095 559156187 /nfs/dbraw/zinc/15/61/87/559156187.db2.gz IABWNZSOYNJZTE-NSHDSACASA-N -2 3 369.361 2.391 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CC(C)(C)c2cccnc2)c1 ZINC000414388967 559160847 /nfs/dbraw/zinc/16/08/47/559160847.db2.gz DQZNYKTZOCTULR-UHFFFAOYSA-N -2 3 366.414 2.483 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-])c1csnn1 ZINC000416625981 559325916 /nfs/dbraw/zinc/32/59/16/559325916.db2.gz CKKKYVLHWKUYIA-LURJTMIESA-N -2 3 353.347 2.302 20 0 FEADHL CCC(CC)(CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)[O-] ZINC000424255881 559659556 /nfs/dbraw/zinc/65/95/56/559659556.db2.gz VBFBHCUYEKMYFP-CQSZACIVSA-N -2 3 362.426 2.004 20 0 FEADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000435762011 559929802 /nfs/dbraw/zinc/92/98/02/559929802.db2.gz NPGPGWCMZZGQML-UHFFFAOYSA-N -2 3 372.406 2.223 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(OC)c2)cc1CC(=O)[O-] ZINC000436161579 559936405 /nfs/dbraw/zinc/93/64/05/559936405.db2.gz LCLOKXCBAYZAKJ-UHFFFAOYSA-N -2 3 369.370 2.271 20 0 FEADHL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000436160526 559936525 /nfs/dbraw/zinc/93/65/25/559936525.db2.gz LHESAMIDFWIHHS-UHFFFAOYSA-N -2 3 357.409 2.358 20 0 FEADHL O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)c1ccc(Cl)cc1[O-] ZINC000436620759 559946794 /nfs/dbraw/zinc/94/67/94/559946794.db2.gz WPPHNTVDZJWPEW-CYBMUJFWSA-N -2 3 359.769 2.048 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cccnc2OC(C)C)ccc1[O-] ZINC000436786479 559952054 /nfs/dbraw/zinc/95/20/54/559952054.db2.gz DHEGGNDEVPVIQA-UHFFFAOYSA-N -2 3 366.395 2.162 20 0 FEADHL C[N-]S(=O)(=O)c1cc(NC(=O)c2ccc([O-])c(Cl)c2)ccc1F ZINC000436833891 559953773 /nfs/dbraw/zinc/95/37/73/559953773.db2.gz ZOMYIEWOFPEYCA-UHFFFAOYSA-N -2 3 358.778 2.345 20 0 FEADHL O=c1[n-]nc(C2CCN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)CC2)o1 ZINC000459428928 560685909 /nfs/dbraw/zinc/68/59/09/560685909.db2.gz HBERTVSENFWABR-UHFFFAOYSA-N -2 3 353.382 2.317 20 0 FEADHL COCCc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000466410476 560886345 /nfs/dbraw/zinc/88/63/45/560886345.db2.gz UKPJFQATOCYLEH-UHFFFAOYSA-N -2 3 364.423 2.340 20 0 FEADHL CN1CCc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3F)cc21 ZINC000468992344 560944213 /nfs/dbraw/zinc/94/42/13/560944213.db2.gz NVVYJRYRGOWCDR-UHFFFAOYSA-N -2 3 350.371 2.317 20 0 FEADHL CO[C@H](CC[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F)C(F)(F)F ZINC000469479057 560956064 /nfs/dbraw/zinc/95/60/64/560956064.db2.gz APALXLFMTVJFSK-SNVBAGLBSA-N -2 3 373.324 2.078 20 0 FEADHL CO[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C)C(F)(F)F ZINC000469478305 560956076 /nfs/dbraw/zinc/95/60/76/560956076.db2.gz QIWHPUIYFYRFKM-NSHDSACASA-N -2 3 373.324 2.078 20 0 FEADHL C[C@H]1CCCN1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000471970938 561015362 /nfs/dbraw/zinc/01/53/62/561015362.db2.gz QLSSVGUHDZCWEN-QMMMGPOBSA-N -2 3 368.333 2.424 20 0 FEADHL Cc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c(=O)[n-]1 ZINC000473937576 561061311 /nfs/dbraw/zinc/06/13/11/561061311.db2.gz AWFKSNDIPNQPDC-UHFFFAOYSA-N -2 3 366.201 2.415 20 0 FEADHL O=C([O-])c1c(Br)cccc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000530146056 562399772 /nfs/dbraw/zinc/39/97/72/562399772.db2.gz ZQDPJYWOQMFKSD-MRVPVSSYSA-N -2 3 364.217 2.068 20 0 FEADHL Cc1cc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)ccc1C(=O)[O-] ZINC000532002037 562463682 /nfs/dbraw/zinc/46/36/82/562463682.db2.gz BMMJLHZZELDKFG-UHFFFAOYSA-N -2 3 367.361 2.138 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c1 ZINC000537197440 562587689 /nfs/dbraw/zinc/58/76/89/562587689.db2.gz FQVMHLGAJTURSE-UHFFFAOYSA-N -3 3 355.343 2.347 20 0 FEADHL COc1ccc(O)c(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c1 ZINC000537197440 562587690 /nfs/dbraw/zinc/58/76/90/562587690.db2.gz FQVMHLGAJTURSE-UHFFFAOYSA-N -2 3 355.343 2.347 20 0 FEADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)o1 ZINC000545544748 562628676 /nfs/dbraw/zinc/62/86/76/562628676.db2.gz RADNJTBZBIQVHI-AWEZNQCLSA-N -2 3 353.396 2.206 20 0 FEADHL COc1ccccc1CC[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000545556096 562628833 /nfs/dbraw/zinc/62/88/33/562628833.db2.gz QCJDREMNNXVXMK-UHFFFAOYSA-N -2 3 367.398 2.362 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000806636616 674384638 /nfs/dbraw/zinc/38/46/38/674384638.db2.gz REOOJBMWFIUZHP-SSDOTTSWSA-N -2 3 359.297 2.113 20 0 FEADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000556413588 674401386 /nfs/dbraw/zinc/40/13/86/674401386.db2.gz HLBAXKFBZHLYLJ-LURJTMIESA-N -2 3 356.625 2.244 20 0 FEADHL O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738343423 598842111 /nfs/dbraw/zinc/84/21/11/598842111.db2.gz ZANBQLPDHIPJPQ-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738343423 598842112 /nfs/dbraw/zinc/84/21/12/598842112.db2.gz ZANBQLPDHIPJPQ-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL CCc1nc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)sc1C ZINC000736706001 598968485 /nfs/dbraw/zinc/96/84/85/598968485.db2.gz PHSUCVZVRSUNHS-UHFFFAOYSA-N -2 3 364.456 2.303 20 0 FEADHL CCc1nc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)sc1C ZINC000736706001 598968486 /nfs/dbraw/zinc/96/84/86/598968486.db2.gz PHSUCVZVRSUNHS-UHFFFAOYSA-N -2 3 364.456 2.303 20 0 FEADHL O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccccc1-c1nnn[n-]1 ZINC000738345933 599042722 /nfs/dbraw/zinc/04/27/22/599042722.db2.gz SFQUSOJPVBKAEJ-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccccc1-c1nn[n-]n1 ZINC000738345933 599042724 /nfs/dbraw/zinc/04/27/24/599042724.db2.gz SFQUSOJPVBKAEJ-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000737399116 599193380 /nfs/dbraw/zinc/19/33/80/599193380.db2.gz HVMAIHUMMABIGQ-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000820197961 599233070 /nfs/dbraw/zinc/23/30/70/599233070.db2.gz PUIOCTNDARMNDC-UHFFFAOYSA-N -2 3 368.419 2.387 20 0 FEADHL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000820197961 599233073 /nfs/dbraw/zinc/23/30/73/599233073.db2.gz PUIOCTNDARMNDC-UHFFFAOYSA-N -2 3 368.419 2.387 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1c(Cl)cccc1Cl ZINC000823583698 599235175 /nfs/dbraw/zinc/23/51/75/599235175.db2.gz YLHQBMHZGCCSMT-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1c(Cl)cccc1Cl ZINC000823583698 599235177 /nfs/dbraw/zinc/23/51/77/599235177.db2.gz YLHQBMHZGCCSMT-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL C[C@H](OC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000737708798 597498530 /nfs/dbraw/zinc/49/85/30/597498530.db2.gz RYUKNFFQCDKSDJ-BLLLJJGKSA-N -2 3 357.362 2.270 20 0 FEADHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000737215859 598638057 /nfs/dbraw/zinc/63/80/57/598638057.db2.gz MCYJCOOQMYRIJJ-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000557624982 674458101 /nfs/dbraw/zinc/45/81/01/674458101.db2.gz ULEJQAUCLHTRSX-UHFFFAOYSA-N -2 3 364.423 2.341 20 0 FEADHL C[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322455 599298862 /nfs/dbraw/zinc/29/88/62/599298862.db2.gz STJFDNSAFMMELA-WBMJQRKESA-N -2 3 365.393 2.302 20 0 FEADHL C[C@@H](NC(=O)C[C@H](C(=O)[O-])c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322455 599298865 /nfs/dbraw/zinc/29/88/65/599298865.db2.gz STJFDNSAFMMELA-WBMJQRKESA-N -2 3 365.393 2.302 20 0 FEADHL Cc1ccc(CSCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000592134184 599766495 /nfs/dbraw/zinc/76/64/95/599766495.db2.gz URULLIZTIMUIBQ-UHFFFAOYSA-N -2 3 355.437 2.498 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2c2ccccc2)o1 ZINC000579829421 599774367 /nfs/dbraw/zinc/77/43/67/599774367.db2.gz JBLNETZJAJDUEJ-XJKSGUPXSA-N -2 3 365.407 2.424 20 0 FEADHL COC(=O)c1cc(NC(=O)c2nnc3ccccc3c2[O-])cc(C(=O)[O-])c1 ZINC000737665007 600173936 /nfs/dbraw/zinc/17/39/36/600173936.db2.gz KLVOUJQPQFZEHT-UHFFFAOYSA-N -2 3 367.317 2.073 20 0 FEADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000392297275 600626703 /nfs/dbraw/zinc/62/67/03/600626703.db2.gz VFZWJFDEHUUWPY-UHFFFAOYSA-N -2 3 367.354 2.040 20 0 FEADHL CC[C@@](C)([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000828700599 600730769 /nfs/dbraw/zinc/73/07/69/600730769.db2.gz OYROZMABGXFXSK-SNVBAGLBSA-N -2 3 356.263 2.351 20 0 FEADHL CCc1ccc([O-])c(C(=O)N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC000830254045 601122995 /nfs/dbraw/zinc/12/29/95/601122995.db2.gz SBWLFWSJFOLHNY-ZDUSSCGKSA-N -2 3 374.418 2.250 20 0 FEADHL COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000577059027 601221365 /nfs/dbraw/zinc/22/13/65/601221365.db2.gz CFHHIPDBYDYRQQ-JTQLQIEISA-N -2 3 353.396 2.204 20 0 FEADHL CCSCC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000387816587 601238827 /nfs/dbraw/zinc/23/88/27/601238827.db2.gz UPOYCZZCUJDDAJ-MRVPVSSYSA-N -2 3 353.412 2.473 20 0 FEADHL CCO[C@@H](CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)C ZINC000829919079 601239747 /nfs/dbraw/zinc/23/97/47/601239747.db2.gz VECDFOXPIJWVAQ-NSHDSACASA-N -2 3 365.398 2.393 20 0 FEADHL CO[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)(C)C ZINC000831520700 601239751 /nfs/dbraw/zinc/23/97/51/601239751.db2.gz ZLAMDMOGNPVIMR-JTQLQIEISA-N -2 3 351.371 2.002 20 0 FEADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000831584969 601266029 /nfs/dbraw/zinc/26/60/29/601266029.db2.gz JFHAELMUZDPREA-GFCCVEGCSA-N -2 3 356.227 2.152 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C1CC1 ZINC000776577607 601611931 /nfs/dbraw/zinc/61/19/31/601611931.db2.gz OTPULMUESKJJGL-LBPRGKRZSA-N -2 3 352.437 2.342 20 0 FEADHL CN1CCc2c(cccc2[N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])C1 ZINC000830965260 601859714 /nfs/dbraw/zinc/85/97/14/601859714.db2.gz PMRZMBKXHKGAHE-UHFFFAOYSA-N -2 3 364.398 2.313 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c2ccccc2)cc1F ZINC000683925085 601882334 /nfs/dbraw/zinc/88/23/34/601882334.db2.gz HUORONPGRYLZSJ-GFCCVEGCSA-N -2 3 355.362 2.420 20 0 FEADHL CCOc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825654263 607531743 /nfs/dbraw/zinc/53/17/43/607531743.db2.gz UPIHKXLQXWJFMV-UHFFFAOYSA-N -2 3 359.411 2.375 20 0 FEADHL CCOc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825654263 607531744 /nfs/dbraw/zinc/53/17/44/607531744.db2.gz UPIHKXLQXWJFMV-UHFFFAOYSA-N -2 3 359.411 2.375 20 0 FEADHL O=C([O-])N1CCC(C[N-]S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000740496254 601988068 /nfs/dbraw/zinc/98/80/68/601988068.db2.gz JTFYYQNSMWZEFZ-UHFFFAOYSA-N -2 3 350.799 2.147 20 0 FEADHL C[C@]1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCS1 ZINC000316044868 602117598 /nfs/dbraw/zinc/11/75/98/602117598.db2.gz CEJGXDQIKKBZQZ-CYBMUJFWSA-N -2 3 351.396 2.227 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCC2CC2)c(Br)o1 ZINC000162743537 602156089 /nfs/dbraw/zinc/15/60/89/602156089.db2.gz IPXIMFFUKVOJNM-UHFFFAOYSA-N -2 3 352.206 2.209 20 0 FEADHL CCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCC1 ZINC000229471429 602161428 /nfs/dbraw/zinc/16/14/28/602161428.db2.gz YORUNCSFLDWQCP-UHFFFAOYSA-N -2 3 352.206 2.351 20 0 FEADHL O=C([O-])N1CCC[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000740512931 602316328 /nfs/dbraw/zinc/31/63/28/602316328.db2.gz REOJPMWGDPUART-SECBINFHSA-N -2 3 350.799 2.147 20 0 FEADHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000833317816 602319318 /nfs/dbraw/zinc/31/93/18/602319318.db2.gz JOSQQPITYCTDJH-UHFFFAOYSA-N -2 3 352.759 2.110 20 0 FEADHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000833317816 602319321 /nfs/dbraw/zinc/31/93/21/602319321.db2.gz JOSQQPITYCTDJH-UHFFFAOYSA-N -2 3 352.759 2.110 20 0 FEADHL O=C([O-])N1CC[C@@H](CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000740497631 602456392 /nfs/dbraw/zinc/45/63/92/602456392.db2.gz OGHQWFZVAAIVRR-MRVPVSSYSA-N -2 3 368.242 2.057 20 0 FEADHL Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC([C@H](C)NC(=O)[O-])CC1)c2=O ZINC000740152907 602460765 /nfs/dbraw/zinc/46/07/65/602460765.db2.gz HFATZYVJWSAFPO-NSHDSACASA-N -2 3 358.398 2.152 20 0 FEADHL O=C([O-])N1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)cc2C1 ZINC000740528999 602491000 /nfs/dbraw/zinc/49/10/00/602491000.db2.gz CQOOHFYAZYOIPG-UHFFFAOYSA-N -2 3 374.418 2.458 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(C(=O)Oc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738138257 602965155 /nfs/dbraw/zinc/96/51/55/602965155.db2.gz DCNGLPRXJUPBLU-UHFFFAOYSA-N -2 3 350.352 2.367 20 0 FEADHL O=C([O-])N1CCc2c(cccc2[N-]S(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC000740530524 603261462 /nfs/dbraw/zinc/26/14/62/603261462.db2.gz ZYPWADLRKLWYDK-ZDUSSCGKSA-N -2 3 354.428 2.034 20 0 FEADHL O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000832361980 603834863 /nfs/dbraw/zinc/83/48/63/603834863.db2.gz ZUWCBVLGLAFXOO-KGLIPLIRSA-N -2 3 358.402 2.412 20 0 FEADHL CC(C)(CNC(=O)NCc1ccc([O-])c(Br)c1)NC(=O)[O-] ZINC000823936536 604279745 /nfs/dbraw/zinc/27/97/45/604279745.db2.gz HBUOKIKECCHZTL-UHFFFAOYSA-N -2 3 360.208 2.000 20 0 FEADHL Cc1ncc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000826330217 607683596 /nfs/dbraw/zinc/68/35/96/607683596.db2.gz KHEBYLTUZMGWSS-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL Cc1ncc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000826330217 607683597 /nfs/dbraw/zinc/68/35/97/607683597.db2.gz KHEBYLTUZMGWSS-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL CC[C@](NC(=O)c1cc(NC(C)=O)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC000833642693 604528364 /nfs/dbraw/zinc/52/83/64/604528364.db2.gz GVOYMFMGRJIVGD-LJQANCHMSA-N -2 3 356.378 2.471 20 0 FEADHL C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CCN1C(=O)[O-] ZINC000826007354 605190305 /nfs/dbraw/zinc/19/03/05/605190305.db2.gz HPYAXZRPKDYOTB-VIFPVBQESA-N -2 3 372.219 2.048 20 0 FEADHL O=C([O-])N1CCC[C@@H]1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000831335062 605415139 /nfs/dbraw/zinc/41/51/39/605415139.db2.gz PMDRSUBUEFUZQA-SNVBAGLBSA-N -2 3 357.204 2.303 20 0 FEADHL O=C([O-])N[C@H](CNC(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000834147776 605854314 /nfs/dbraw/zinc/85/43/14/605854314.db2.gz SLYCJJXZFMLHIV-LLVKDONJSA-N -2 3 372.219 2.000 20 0 FEADHL O=C([O-])NCCOc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000834245633 606072029 /nfs/dbraw/zinc/07/20/29/606072029.db2.gz OUFXDBOJTHYJJX-LFIBNONCSA-N -2 3 367.361 2.056 20 0 FEADHL O=C([O-])C=Cc1cnc(C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)s1 ZINC000823387516 606196281 /nfs/dbraw/zinc/19/62/81/606196281.db2.gz NNDJGSYRCARNBT-SXUARNTMSA-N -2 3 365.378 2.239 20 0 FEADHL O=C([O-])C=Cc1cnc(C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)s1 ZINC000823387516 606196282 /nfs/dbraw/zinc/19/62/82/606196282.db2.gz NNDJGSYRCARNBT-SXUARNTMSA-N -2 3 365.378 2.239 20 0 FEADHL CC(C)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1 ZINC000820192273 606336823 /nfs/dbraw/zinc/33/68/23/606336823.db2.gz HTONBCGWUBSDSI-UHFFFAOYSA-N -2 3 359.411 2.497 20 0 FEADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000822239708 606337570 /nfs/dbraw/zinc/33/75/70/606337570.db2.gz ARKLFCXXGCNZCF-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccc(F)cc1Cl ZINC000823583657 606337891 /nfs/dbraw/zinc/33/78/91/606337891.db2.gz XJGPFKKZIKRAAJ-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820870426 606893758 /nfs/dbraw/zinc/89/37/58/606893758.db2.gz SIRLJKTVCCAFSL-DTWKUNHWSA-N -2 3 359.402 2.248 20 0 FEADHL CCCC(CCC)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000825242254 607806538 /nfs/dbraw/zinc/80/65/38/607806538.db2.gz MEUYOISQKBNYFC-UHFFFAOYSA-N -2 3 365.459 2.196 20 0 FEADHL CCCC(CCC)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825242254 607806539 /nfs/dbraw/zinc/80/65/39/607806539.db2.gz MEUYOISQKBNYFC-UHFFFAOYSA-N -2 3 365.459 2.196 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2ccc(-c3nnn[n-]3)cc2)c(C(=O)[O-])c1 ZINC000825564896 608666887 /nfs/dbraw/zinc/66/68/87/608666887.db2.gz ICRWPESHDKSPBU-VMPITWQZSA-N -2 3 365.349 2.307 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2ccc(-c3nn[n-]n3)cc2)c(C(=O)[O-])c1 ZINC000825564896 608666889 /nfs/dbraw/zinc/66/68/89/608666889.db2.gz ICRWPESHDKSPBU-VMPITWQZSA-N -2 3 365.349 2.307 20 0 FEADHL Cc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826319279 609264332 /nfs/dbraw/zinc/26/43/32/609264332.db2.gz WCXGHDJUUVUIPE-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL Cc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826319279 609264333 /nfs/dbraw/zinc/26/43/33/609264333.db2.gz WCXGHDJUUVUIPE-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)OC ZINC000811682239 674620277 /nfs/dbraw/zinc/62/02/77/674620277.db2.gz RNRXVSGZUCNIIA-MRVPVSSYSA-N -2 3 356.227 2.395 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCCOc2c(F)cccc21 ZINC000563070362 674844182 /nfs/dbraw/zinc/84/41/82/674844182.db2.gz ZAVMBTWEHPTMDD-JTQLQIEISA-N -2 3 372.399 2.173 20 0 FEADHL CCOc1cc([N-]S(=O)(=O)[C@@H]2CCO[C@H]2C)c(C(=O)[O-])cc1OCC ZINC000563226993 674861614 /nfs/dbraw/zinc/86/16/14/674861614.db2.gz PCYJIPBJOSPMOK-ZUZCIYMTSA-N -2 3 373.427 2.101 20 0 FEADHL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1F ZINC000563331529 674873334 /nfs/dbraw/zinc/87/33/34/674873334.db2.gz FZAISYBJBUVWNX-UHFFFAOYSA-N -3 3 369.326 2.032 20 0 FEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-] ZINC000564273970 674989790 /nfs/dbraw/zinc/98/97/90/674989790.db2.gz SLEKXUGMQICTMB-UHFFFAOYSA-N -2 3 371.436 2.220 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1)c1ccco1 ZINC000575865313 671326874 /nfs/dbraw/zinc/32/68/74/671326874.db2.gz XWBDMJVTUZBUEI-CQSZACIVSA-N -2 3 365.407 2.062 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)c(Cl)cc1F ZINC000577101130 671416944 /nfs/dbraw/zinc/41/69/44/671416944.db2.gz XRYCQLSNCFEYGY-ZETCQYMHSA-N -2 3 359.753 2.422 20 0 FEADHL Cc1cc(C)cc(C[C@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000577864989 671625321 /nfs/dbraw/zinc/62/53/21/671625321.db2.gz BBGGLHYHWWINOW-NSHDSACASA-N -2 3 354.453 2.368 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CSCCc2ccccc2)C(=O)[O-])o1 ZINC000578657794 671680715 /nfs/dbraw/zinc/68/07/15/671680715.db2.gz YUQGRMIFBXMRFS-AWEZNQCLSA-N -2 3 369.464 2.295 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(F)c(C)c2)s1 ZINC000581605818 671917163 /nfs/dbraw/zinc/91/71/63/671917163.db2.gz AOVVPQXUQNWBOV-ZDUSSCGKSA-N -2 3 358.416 2.257 20 0 FEADHL COc1ccc(O)c(S(=O)(=O)[N-]c2c(C(=O)[O-])ccc(OC)c2F)c1 ZINC000582442195 672002219 /nfs/dbraw/zinc/00/22/19/672002219.db2.gz KMDNVCIVRGSVIP-UHFFFAOYSA-N -2 3 371.342 2.048 20 0 FEADHL C[C@H](CSCC[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000592448607 672804378 /nfs/dbraw/zinc/80/43/78/672804378.db2.gz OHLBXPBSMHMCHQ-MRVPVSSYSA-N -2 3 355.840 2.211 20 0 FEADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)ccc1F ZINC000327717034 673061521 /nfs/dbraw/zinc/06/15/21/673061521.db2.gz RZSSOMPVNIFXQU-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(-n2nccn2)cc1 ZINC000327780389 673061878 /nfs/dbraw/zinc/06/18/78/673061878.db2.gz XKCBZCJDHXQDRO-UHFFFAOYSA-N -2 3 358.379 2.075 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-]C[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])s1 ZINC000547549923 673861812 /nfs/dbraw/zinc/86/18/12/673861812.db2.gz UEWVOXYWYVDQNH-NSHDSACASA-N -2 3 374.871 2.327 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)s1 ZINC000547590005 673869581 /nfs/dbraw/zinc/86/95/81/673869581.db2.gz XKCWIUOMXVIBOM-VIFPVBQESA-N -2 3 368.274 2.351 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])c(C)n2)cc1F ZINC000547892738 673898968 /nfs/dbraw/zinc/89/89/68/673898968.db2.gz KBAQHPRDPOBVJB-UHFFFAOYSA-N -2 3 356.350 2.153 20 0 FEADHL O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548212520 673935367 /nfs/dbraw/zinc/93/53/67/673935367.db2.gz NWNWWXMUIWDUTB-GFCCVEGCSA-N -2 3 351.346 2.416 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Cc1cccnc1 ZINC000548544197 673968725 /nfs/dbraw/zinc/96/87/25/673968725.db2.gz VSTHZDQRCAPBJN-LLVKDONJSA-N -2 3 372.805 2.096 20 0 FEADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2ccccc2C(=O)[O-])o1 ZINC000829411058 675878369 /nfs/dbraw/zinc/87/83/69/675878369.db2.gz OJNPKLCIXXMRLP-HNNXBMFYSA-N -2 3 367.423 2.347 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)Cc1ccccc1C(=O)[O-])c1ccc(C)o1 ZINC000829410650 675878374 /nfs/dbraw/zinc/87/83/74/675878374.db2.gz NUOYVMAMZSMACD-AWEZNQCLSA-N -2 3 353.396 2.093 20 0 FEADHL O=c1[nH][n-]cc1CCCN=c1[n-]c(-c2cc(Cl)cc(Cl)c2)no1 ZINC000631361423 676942751 /nfs/dbraw/zinc/94/27/51/676942751.db2.gz LPFSOSQXLBSPIB-MRVPVSSYSA-N -2 3 354.197 2.389 20 0 FEADHL CCCCC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000829928738 677018114 /nfs/dbraw/zinc/01/81/14/677018114.db2.gz KLBLNJRXSOFIII-VIFPVBQESA-N -2 3 354.350 2.412 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCC1 ZINC000645958410 677275876 /nfs/dbraw/zinc/27/58/76/677275876.db2.gz ZTFSFNBVPMJMIJ-UHFFFAOYSA-N -2 3 356.400 2.338 20 0 FEADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000650426135 677373188 /nfs/dbraw/zinc/37/31/88/677373188.db2.gz BZBWGKMFRPMDGV-ZETCQYMHSA-N -2 3 366.208 2.120 20 0 FEADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Br)cc2F)CC1 ZINC000650426187 677373214 /nfs/dbraw/zinc/37/32/14/677373214.db2.gz CVALIYKHGIVBRL-ZETCQYMHSA-N -2 3 366.208 2.120 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CC1(c2ccccc2F)CCC1 ZINC000650439188 677375063 /nfs/dbraw/zinc/37/50/63/677375063.db2.gz KYQREAMEZGPKLA-UHFFFAOYSA-N -2 3 370.427 2.381 20 0 FEADHL CC[C@H](OCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000650440970 677375153 /nfs/dbraw/zinc/37/51/53/677375153.db2.gz WVOVCEGMDGNJSK-ZDUSSCGKSA-N -2 3 353.396 2.424 20 0 FEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cccc3c2COC3=O)c1C(=O)[O-] ZINC000761279975 680717770 /nfs/dbraw/zinc/71/77/70/680717770.db2.gz FOFHSSGGMNPBTN-UHFFFAOYSA-N -2 3 365.338 2.304 20 0 FEADHL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000656165555 677717190 /nfs/dbraw/zinc/71/71/90/677717190.db2.gz VRRMGUTZXGKAQZ-MRVPVSSYSA-N -2 3 374.615 2.194 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)cs1 ZINC000656181793 677725432 /nfs/dbraw/zinc/72/54/32/677725432.db2.gz WINZJZANZKRDQD-XCBNKYQSSA-N -2 3 373.374 2.225 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCCC(=O)[O-] ZINC000844243759 681046194 /nfs/dbraw/zinc/04/61/94/681046194.db2.gz HRLZYZNIPLTAGF-UHFFFAOYSA-N -2 3 368.333 2.270 20 0 FEADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)CC(=O)[O-] ZINC000844787600 681082341 /nfs/dbraw/zinc/08/23/41/681082341.db2.gz SGIMKHBNRRRCNO-VIFPVBQESA-N -2 3 352.815 2.289 20 0 FEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@H]2CCCOC2)c1 ZINC000844893757 681090515 /nfs/dbraw/zinc/09/05/15/681090515.db2.gz KMJLQQDHUIZBMC-QMMMGPOBSA-N -2 3 354.211 2.149 20 0 FEADHL Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000844896887 681091368 /nfs/dbraw/zinc/09/13/68/681091368.db2.gz ZFLVATOQMYLFBM-ZETCQYMHSA-N -2 3 374.365 2.177 20 0 FEADHL COC(=O)c1cc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])ccc1F ZINC000775670566 681322823 /nfs/dbraw/zinc/32/28/23/681322823.db2.gz MQGZMIJZMWEBIM-UHFFFAOYSA-N -2 3 355.343 2.127 20 0 FEADHL COC(=O)NCc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC000775676561 681323690 /nfs/dbraw/zinc/32/36/90/681323690.db2.gz ZGUQALPOSBZKDU-UHFFFAOYSA-N -2 3 366.395 2.058 20 0 FEADHL O=C([O-])/C=C\C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000788447369 682530464 /nfs/dbraw/zinc/53/04/64/682530464.db2.gz MONPHFTVMQAIQI-UPHRSURJSA-N -2 3 354.609 2.022 20 0 FEADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000794914491 683002653 /nfs/dbraw/zinc/00/26/53/683002653.db2.gz NAXXEXCSTUAAKK-SNVBAGLBSA-N -2 3 353.227 2.310 20 0 FEADHL O=C([O-])/C=C\C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000797428674 683250057 /nfs/dbraw/zinc/25/00/57/683250057.db2.gz CGFXFYTUOLAVNQ-UPHRSURJSA-N -2 3 354.609 2.022 20 0 FEADHL CC(C)(C)n1cnc([N-]C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)n1 ZINC000860763397 683290346 /nfs/dbraw/zinc/29/03/46/683290346.db2.gz GZGRFLDZSZZMBS-UHFFFAOYSA-N -2 3 359.308 2.057 20 0 FEADHL COC[C@@](C)([N-]C(=O)C(F)(F)c1cccc(Br)c1)C(=O)[O-] ZINC000907609303 691525934 /nfs/dbraw/zinc/52/59/34/691525934.db2.gz AKMPSGRKVPTYDJ-GFCCVEGCSA-N -2 3 366.158 2.147 20 0 FEADHL COC1(C[C@@H](NC(=O)c2cc([O-])cc(Br)c2)C(=O)[O-])CCC1 ZINC000909892243 691868095 /nfs/dbraw/zinc/86/80/95/691868095.db2.gz BZVKGHHQIUJWGZ-GFCCVEGCSA-N -2 3 372.215 2.297 20 0 FEADHL Cc1ccc([C@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C(=O)[O-])cc1C ZINC000580613430 939772268 /nfs/dbraw/zinc/77/22/68/939772268.db2.gz BHEOJVAAWFAHQA-HNNXBMFYSA-N -2 3 367.361 2.134 20 0 FEADHL O=C([O-])[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1CCCCCC1 ZINC000653472057 939835815 /nfs/dbraw/zinc/83/58/15/939835815.db2.gz DYPSMQNFHUSVRX-AWEZNQCLSA-N -2 3 359.382 2.115 20 0 FEADHL CCOc1ccccc1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000008029923 539475525 /nfs/dbraw/zinc/47/55/25/539475525.db2.gz YOWNHGNNHHNIJF-UHFFFAOYSA-N -2 3 367.398 2.444 20 0 FEADHL COc1ccccc1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000008029870 539475701 /nfs/dbraw/zinc/47/57/01/539475701.db2.gz KISUYYVNJLGLHI-UHFFFAOYSA-N -2 3 353.371 2.054 20 0 FEADHL Cc1ccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000013348019 539586709 /nfs/dbraw/zinc/58/67/09/539586709.db2.gz BPJVKYYOEOLESQ-ZDUSSCGKSA-N -2 3 364.379 2.398 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1OC ZINC000031665880 539915390 /nfs/dbraw/zinc/91/53/90/539915390.db2.gz OXRPMMAXNKLWBJ-UHFFFAOYSA-N -2 3 367.379 2.217 20 0 FEADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000037574066 539997119 /nfs/dbraw/zinc/99/71/19/539997119.db2.gz DKHAKAAQUJQUFT-JTQLQIEISA-N -2 3 368.224 2.366 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2OC)ccc1[O-] ZINC000047521675 540316095 /nfs/dbraw/zinc/31/60/95/540316095.db2.gz YNWSQNGYAQKDPT-UHFFFAOYSA-N -2 3 351.380 2.297 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000054333834 540583670 /nfs/dbraw/zinc/58/36/70/540583670.db2.gz KYAVDJSBLAUAEL-ZCFIWIBFSA-N -2 3 356.625 2.102 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000055587027 540661345 /nfs/dbraw/zinc/66/13/45/540661345.db2.gz GAZUQLKBEOBBGB-UHFFFAOYSA-N -3 3 369.326 2.032 20 0 FEADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3c(C)noc3C)c2)n1 ZINC000055621112 540664544 /nfs/dbraw/zinc/66/45/44/540664544.db2.gz USYOPBHQGUGXTQ-UHFFFAOYSA-N -2 3 374.422 2.405 20 0 FEADHL CCOC(=O)c1c(C)[nH]c(C([O-])=CS(=O)(=O)c2ccc([O-])cc2)c1C ZINC000063927106 541191789 /nfs/dbraw/zinc/19/17/89/541191789.db2.gz BFVRRDLSSBGZGV-UHFFFAOYSA-N -2 3 365.407 2.170 20 0 FEADHL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000068216445 541564487 /nfs/dbraw/zinc/56/44/87/541564487.db2.gz DHJPNGHMQFRMCH-SNVBAGLBSA-N -2 3 360.391 2.078 20 0 FEADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000037574101 208184404 /nfs/dbraw/zinc/18/44/04/208184404.db2.gz VGXYGFAXZVCOFQ-VIFPVBQESA-N -2 3 354.197 2.120 20 0 FEADHL CC[C@@H](CNC(=O)c1ccc([O-])cc1F)NC(=O)c1ccc([O-])cc1F ZINC000181952943 327754337 /nfs/dbraw/zinc/75/43/37/327754337.db2.gz KMHDCSDDSDATLB-JTQLQIEISA-N -2 3 364.348 2.314 20 0 FEADHL CCc1cc(=O)[n-]c(SCCCSc2nc(CC)cc(=O)[n-]2)n1 ZINC000195071270 328454570 /nfs/dbraw/zinc/45/45/70/328454570.db2.gz GVDDEHFRNGUWOL-UHFFFAOYSA-N -2 3 352.485 2.253 20 0 FEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1C ZINC000153715915 326740742 /nfs/dbraw/zinc/74/07/42/326740742.db2.gz KITXLPKIXSRCPC-UHFFFAOYSA-N -2 3 372.443 2.233 20 0 FEADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161810794 327009934 /nfs/dbraw/zinc/00/99/34/327009934.db2.gz QAOOSHJFDWSLLK-ZETCQYMHSA-N -2 3 354.197 2.120 20 0 FEADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000262160646 328846960 /nfs/dbraw/zinc/84/69/60/328846960.db2.gz BZFCKWFFEARJFW-SECBINFHSA-N -2 3 368.224 2.366 20 0 FEADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000262671409 328879828 /nfs/dbraw/zinc/87/98/28/328879828.db2.gz POSLZYJHJSAQOI-SECBINFHSA-N -2 3 354.197 2.120 20 0 FEADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000263174994 328922395 /nfs/dbraw/zinc/92/23/95/328922395.db2.gz SPFMABOVYLSMHC-SECBINFHSA-N -2 3 355.334 2.349 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nnc(CC(C)C)s2)ccc1[O-] ZINC000267601538 329342059 /nfs/dbraw/zinc/34/20/59/329342059.db2.gz AVIRDPZPMPKFEI-UHFFFAOYSA-N -2 3 371.440 2.030 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCOCC2CC2)cc(F)c1Cl ZINC000273746504 329888577 /nfs/dbraw/zinc/88/85/77/329888577.db2.gz MWNFDMWROLPVRQ-UHFFFAOYSA-N -2 3 365.810 2.272 20 0 FEADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)o1 ZINC000273787554 329891558 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CCOC(=O)c1cc(NC(=O)c2cc(Br)ccc2[O-])[n-]n1 ZINC000180931974 547212635 /nfs/dbraw/zinc/21/26/35/547212635.db2.gz UZUVONQXPCYCIU-UHFFFAOYSA-N -2 3 354.160 2.307 20 0 FEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccccc1Cl ZINC000484553976 561299937 /nfs/dbraw/zinc/29/99/37/561299937.db2.gz DOKNXSMILUFLCE-UHFFFAOYSA-N -2 3 372.786 2.042 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@H](C)N2CCC[C@H](C)C2)c1 ZINC000184916078 547899460 /nfs/dbraw/zinc/89/94/60/547899460.db2.gz PDGPRGPCWUTEGD-AAEUAGOBSA-N -2 3 372.462 2.231 20 0 FEADHL CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000486804196 561357231 /nfs/dbraw/zinc/35/72/31/561357231.db2.gz ZYLWYJJMYRVUIZ-UHFFFAOYSA-N -2 3 372.410 2.016 20 0 FEADHL CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000486804196 561357232 /nfs/dbraw/zinc/35/72/32/561357232.db2.gz ZYLWYJJMYRVUIZ-UHFFFAOYSA-N -2 3 372.410 2.016 20 0 FEADHL CCCN(CC(=O)[O-])C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000236941064 548789503 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ZINC000319572849 553763895 /nfs/dbraw/zinc/76/38/95/553763895.db2.gz RDOABQCZRNWRRT-GFCCVEGCSA-N -2 3 357.790 2.453 20 0 FEADHL N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000321613474 553766938 /nfs/dbraw/zinc/76/69/38/553766938.db2.gz HJCZSSWCQLZNLW-UHFFFAOYSA-N -2 3 350.783 2.388 20 0 FEADHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000322071928 553767920 /nfs/dbraw/zinc/76/79/20/553767920.db2.gz DFKVJDAJIDFNON-YPMHNXCESA-N -2 3 362.791 2.170 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(F)c1 ZINC000325094036 553774757 /nfs/dbraw/zinc/77/47/57/553774757.db2.gz NNXMJQABCQFHPY-UHFFFAOYSA-N -2 3 353.327 2.096 20 0 FEADHL COCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000327701187 553791116 /nfs/dbraw/zinc/79/11/16/553791116.db2.gz XAGNCBVUOTUFQH-UHFFFAOYSA-N -2 3 365.407 2.383 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1CO ZINC000327949237 553792484 /nfs/dbraw/zinc/79/24/84/553792484.db2.gz SCIDAUBNNZBTHV-UHFFFAOYSA-N -2 3 365.407 2.385 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCCO)cc1 ZINC000507583062 561734286 /nfs/dbraw/zinc/73/42/86/561734286.db2.gz ZXBJFTZDYTVIBC-UHFFFAOYSA-N -2 3 365.407 2.255 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1cnc2ccccc2c1 ZINC000509379118 561796878 /nfs/dbraw/zinc/79/68/78/561796878.db2.gz OYVQUFAGVXAUCA-UHFFFAOYSA-N -2 3 366.406 2.140 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1cnc2ccccc2c1 ZINC000509379118 561796879 /nfs/dbraw/zinc/79/68/79/561796879.db2.gz OYVQUFAGVXAUCA-UHFFFAOYSA-N -2 3 366.406 2.140 20 0 FEADHL CSc1cccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000509378393 561797000 /nfs/dbraw/zinc/79/70/00/561797000.db2.gz KOJGWGBRWLWSQV-UHFFFAOYSA-N -2 3 361.452 2.313 20 0 FEADHL CSc1cccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000509378393 561797002 /nfs/dbraw/zinc/79/70/02/561797002.db2.gz KOJGWGBRWLWSQV-UHFFFAOYSA-N -2 3 361.452 2.313 20 0 FEADHL Cc1cc(C)c2[n-]cc(C(=O)N3CCCC[C@H]3c3n[nH]c(=O)[n-]3)c(=O)c2c1 ZINC000333493152 554618449 /nfs/dbraw/zinc/61/84/49/554618449.db2.gz GXFNBBSUERMHDW-AWEZNQCLSA-N -2 3 367.409 2.336 20 0 FEADHL C[C@@]1(c2cccc(-c3noc(-c4ccc([O-])cc4F)n3)c2)NC(=O)[N-]C1=O ZINC000350573456 554798945 /nfs/dbraw/zinc/79/89/45/554798945.db2.gz GPPANJAPBGRKRW-SFHVURJKSA-N -2 3 368.324 2.303 20 0 FEADHL O=S(=O)([N-]Cc1nc(-c2ccc([O-])cc2F)no1)c1cccs1 ZINC000350816807 554815597 /nfs/dbraw/zinc/81/55/97/554815597.db2.gz JWYQTCGBUQSHGX-UHFFFAOYSA-N -2 3 355.372 2.121 20 0 FEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000515031003 561992788 /nfs/dbraw/zinc/99/27/88/561992788.db2.gz XEVGRPXOKRUJBU-ZDUSSCGKSA-N -2 3 369.826 2.495 20 0 FEADHL CC(F)(F)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000517711425 562095881 /nfs/dbraw/zinc/09/58/81/562095881.db2.gz RFLBMDOKCDZHNW-UHFFFAOYSA-N -2 3 363.260 2.217 20 0 FEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(F)F ZINC000518612841 562115267 /nfs/dbraw/zinc/11/52/67/562115267.db2.gz LJPFFXUAWNMRLH-SSDOTTSWSA-N -2 3 361.288 2.340 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)c1 ZINC000372833971 557572219 /nfs/dbraw/zinc/57/22/19/557572219.db2.gz ABYQALZGZDVKIA-UHFFFAOYSA-N -3 3 359.363 2.281 20 0 FEADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)c1 ZINC000376445770 558174364 /nfs/dbraw/zinc/17/43/64/558174364.db2.gz DSKNHAZZUQNEAT-NSHDSACASA-N -2 3 357.384 2.388 20 0 FEADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(F)cc1Br)CC(=O)[O-] ZINC000392834692 558618803 /nfs/dbraw/zinc/61/88/03/558618803.db2.gz KDIPCSLRMLZKSC-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@@H](C)CC)c(F)c1 ZINC000420703707 559499357 /nfs/dbraw/zinc/49/93/57/559499357.db2.gz HSOSFYKYXWIHHW-NSHDSACASA-N -2 3 366.480 2.302 20 0 FEADHL CC(C)(CCNC(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-] ZINC000424411989 559663532 /nfs/dbraw/zinc/66/35/32/559663532.db2.gz PMDKWRPSYARTCR-UHFFFAOYSA-N -2 3 359.220 2.455 20 0 FEADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1C ZINC000427311579 559753039 /nfs/dbraw/zinc/75/30/39/559753039.db2.gz BJWFRNDIYAOBEF-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL Cc1cc(NC(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)ccc1C(=O)[O-] ZINC000431674180 559843886 /nfs/dbraw/zinc/84/38/86/559843886.db2.gz CUGTVHCZLGUNNX-LJQANCHMSA-N -2 3 367.361 2.000 20 0 FEADHL Cc1ccc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)c(F)c1Cl ZINC000436423952 559941500 /nfs/dbraw/zinc/94/15/00/559941500.db2.gz WYOCJAYCBOBHON-UHFFFAOYSA-N -2 3 364.811 2.263 20 0 FEADHL CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cc(OC)ccc1[O-] ZINC000436784476 559951988 /nfs/dbraw/zinc/95/19/88/559951988.db2.gz LFFLQVSLYUVCQX-UHFFFAOYSA-N -2 3 363.366 2.371 20 0 FEADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2ccc3[nH]ccc3c2)c1 ZINC000443067600 560068900 /nfs/dbraw/zinc/06/89/00/560068900.db2.gz UAACOPUQKNEHCT-UHFFFAOYSA-N -2 3 350.421 2.449 20 0 FEADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000460837556 560753171 /nfs/dbraw/zinc/75/31/71/560753171.db2.gz CXHMSKYIWGSKDT-UHFFFAOYSA-N -2 3 354.453 2.476 20 0 FEADHL Cc1cc(C(=O)[N-]c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2F)on1 ZINC000461470321 560773316 /nfs/dbraw/zinc/77/33/16/560773316.db2.gz UQHNTBBWRUTJBJ-UHFFFAOYSA-N -2 3 373.793 2.469 20 0 FEADHL CCCc1nc(=NCc2cccc(-c3nnc(C(=O)OCC)[n-]3)c2)s[n-]1 ZINC000461964902 560790130 /nfs/dbraw/zinc/79/01/30/560790130.db2.gz LQQDHGLWNBBEAG-UHFFFAOYSA-N -2 3 372.454 2.486 20 0 FEADHL CCCc1nc(=NCc2cccc(-c3n[n-]c(C(=O)OCC)n3)c2)s[n-]1 ZINC000461964902 560790131 /nfs/dbraw/zinc/79/01/31/560790131.db2.gz LQQDHGLWNBBEAG-UHFFFAOYSA-N -2 3 372.454 2.486 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)CC2 ZINC000466282794 560883337 /nfs/dbraw/zinc/88/33/37/560883337.db2.gz IWFVOYOPRHPDGI-UHFFFAOYSA-N -2 3 360.391 2.379 20 0 FEADHL O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)N=c1ccc(-c2ccccc2)n[n-]1 ZINC000467944072 560920017 /nfs/dbraw/zinc/92/00/17/560920017.db2.gz STXUBELDMQPRQJ-HNNXBMFYSA-N -2 3 350.382 2.206 20 0 FEADHL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000471132832 560999077 /nfs/dbraw/zinc/99/90/77/560999077.db2.gz KLTSFFGQGHLPPG-UHFFFAOYSA-N -3 3 359.306 2.178 20 0 FEADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000530339600 562407587 /nfs/dbraw/zinc/40/75/87/562407587.db2.gz PKHAGNWKGLVSNF-MRVPVSSYSA-N -2 3 352.846 2.271 20 0 FEADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2cccc([O-])c2F)s1 ZINC000535053581 562549790 /nfs/dbraw/zinc/54/97/90/562549790.db2.gz YNQHJRALLJCPHS-UHFFFAOYSA-N -2 3 361.372 2.189 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)CC(=O)[O-] ZINC000540983844 562599502 /nfs/dbraw/zinc/59/95/02/562599502.db2.gz JBTOQIRFPYEORE-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1ncc(C(=O)[O-])s1 ZINC000563148633 568284526 /nfs/dbraw/zinc/28/45/26/568284526.db2.gz WXUAQGJQCPHSJE-SFYZADRCSA-N -2 3 354.400 2.257 20 0 FEADHL COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737077164 598929522 /nfs/dbraw/zinc/92/95/22/598929522.db2.gz OCDHDFPVUWLZQU-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)c(F)cc1F ZINC000738342170 598308510 /nfs/dbraw/zinc/30/85/10/598308510.db2.gz NKDCMLQGKNUWEA-UHFFFAOYSA-N -2 3 373.291 2.224 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)c(F)cc1F ZINC000738342170 598308512 /nfs/dbraw/zinc/30/85/12/598308512.db2.gz NKDCMLQGKNUWEA-UHFFFAOYSA-N -2 3 373.291 2.224 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738343283 598608107 /nfs/dbraw/zinc/60/81/07/598608107.db2.gz WFFJTDYGFXTSFI-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738343283 598608109 /nfs/dbraw/zinc/60/81/09/598608109.db2.gz WFFJTDYGFXTSFI-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL Cc1ncccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000822477037 599691723 /nfs/dbraw/zinc/69/17/23/599691723.db2.gz DMCZZHSIIVYZOG-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ncccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000822477037 599691724 /nfs/dbraw/zinc/69/17/24/599691724.db2.gz DMCZZHSIIVYZOG-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccc(F)cc32)o1 ZINC000573321473 599773341 /nfs/dbraw/zinc/77/33/41/599773341.db2.gz MRNBPJHGDWYQNR-LLVKDONJSA-N -2 3 355.343 2.309 20 0 FEADHL COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000584468069 599774330 /nfs/dbraw/zinc/77/43/30/599774330.db2.gz XEABHODJSJEAQU-NSHDSACASA-N -2 3 353.396 2.286 20 0 FEADHL Cc1oc(COC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1C(=O)[O-] ZINC000738515357 599789214 /nfs/dbraw/zinc/78/92/14/599789214.db2.gz WHMDCWXQZMDMAH-UHFFFAOYSA-N -2 3 361.350 2.164 20 0 FEADHL O=C([O-])[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCO1 ZINC000738546926 599990927 /nfs/dbraw/zinc/99/09/27/599990927.db2.gz GPAYVMIAGYVEOR-SFHVURJKSA-N -2 3 355.390 2.103 20 0 FEADHL CCSCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000387816588 601238814 /nfs/dbraw/zinc/23/88/14/601238814.db2.gz UPOYCZZCUJDDAJ-QMMMGPOBSA-N -2 3 353.412 2.473 20 0 FEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)c1C ZINC000832868464 601323122 /nfs/dbraw/zinc/32/31/22/601323122.db2.gz UIXBFQQNTIPWHO-UHFFFAOYSA-N -2 3 372.406 2.383 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Oc1ccccc1C ZINC000580711876 601399702 /nfs/dbraw/zinc/39/97/02/601399702.db2.gz PHRQDOZNIIHHAH-LBPRGKRZSA-N -2 3 353.396 2.422 20 0 FEADHL O=C([O-])CCCc1csc(NC=C2C(=O)[N-]C(=O)c3ccccc32)n1 ZINC000833229550 601636109 /nfs/dbraw/zinc/63/61/09/601636109.db2.gz HPAFNXZHUQFHPF-MDWZMJQESA-N -2 3 357.391 2.273 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Oc1cccc(F)c1 ZINC000570678944 601835921 /nfs/dbraw/zinc/83/59/21/601835921.db2.gz KFBIBARIBZMNCH-NSHDSACASA-N -2 3 357.359 2.253 20 0 FEADHL COc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826180476 607533801 /nfs/dbraw/zinc/53/38/01/607533801.db2.gz JJQUDPJFZFKRFM-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL COc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826180476 607533802 /nfs/dbraw/zinc/53/38/02/607533802.db2.gz JJQUDPJFZFKRFM-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL O=C([O-])N1CCC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000740512441 601989915 /nfs/dbraw/zinc/98/99/15/601989915.db2.gz NGMQUDQQZZJVAH-SECBINFHSA-N -2 3 350.799 2.147 20 0 FEADHL O=c1cc(C(F)(F)F)nc(SCc2ccnc(-c3nnn[n-]3)c2)[n-]1 ZINC000826510839 607546823 /nfs/dbraw/zinc/54/68/23/607546823.db2.gz NHAAIEWDXKNLFZ-UHFFFAOYSA-N -2 3 355.305 2.068 20 0 FEADHL CCC(CC)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000124751106 602153761 /nfs/dbraw/zinc/15/37/61/602153761.db2.gz AKZXCKTXXRVXGC-UHFFFAOYSA-N -2 3 354.222 2.455 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OCC(=O)[O-] ZINC000818922160 602241440 /nfs/dbraw/zinc/24/14/40/602241440.db2.gz VWYRWRNDJZXAEX-UHFFFAOYSA-N -2 3 367.354 2.176 20 0 FEADHL O=C([O-])NCCc1ccc(CNC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000740672554 602591144 /nfs/dbraw/zinc/59/11/44/602591144.db2.gz JNNPWUCITQKQQP-UHFFFAOYSA-N -2 3 366.377 2.076 20 0 FEADHL Cc1nc(C)c(CCC(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)c(=O)[n-]1 ZINC000740218880 603176830 /nfs/dbraw/zinc/17/68/30/603176830.db2.gz VWRXWMKNWNDBLH-UHFFFAOYSA-N -2 3 370.409 2.406 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@H]3CN(C)C(=O)[O-])nc2)n1 ZINC000827556448 603204196 /nfs/dbraw/zinc/20/41/96/603204196.db2.gz KDELXSOPRPAEOK-AWEZNQCLSA-N -2 3 357.414 2.385 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H]3CCCN3C(=O)[O-])cc2)n1 ZINC000829894214 603410780 /nfs/dbraw/zinc/41/07/80/603410780.db2.gz ONMDFHNGJQCALD-CQSZACIVSA-N -2 3 356.382 2.216 20 0 FEADHL CC(=O)Nc1ccc([O-])c(C(=O)NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000736164950 603482453 /nfs/dbraw/zinc/48/24/53/603482453.db2.gz GPFRAMSERFCCSQ-UHFFFAOYSA-N -2 3 357.366 2.413 20 0 FEADHL O=C([O-])N[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC000832113816 603940528 /nfs/dbraw/zinc/94/05/28/603940528.db2.gz LEJBPOIWPJVPOY-OAHLLOKOSA-N -2 3 366.381 2.074 20 0 FEADHL O=C([O-])N[C@@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC000832113816 603940533 /nfs/dbraw/zinc/94/05/33/603940533.db2.gz LEJBPOIWPJVPOY-OAHLLOKOSA-N -2 3 366.381 2.074 20 0 FEADHL O=C([O-])C1(O)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000833785566 604747780 /nfs/dbraw/zinc/74/77/80/604747780.db2.gz DOCWQFRRNPJKFH-UHFFFAOYSA-N -2 3 355.390 2.035 20 0 FEADHL COC(=O)c1cccc2[n-]c(NC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)nc21 ZINC000833716405 605059011 /nfs/dbraw/zinc/05/90/11/605059011.db2.gz FSIVDZQTHSYLPW-UHFFFAOYSA-N -2 3 356.338 2.245 20 0 FEADHL C[C@]1(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CCCc2ccccc21 ZINC000567792459 605059045 /nfs/dbraw/zinc/05/90/45/605059045.db2.gz HWGCXWGKJTWHAZ-MRXNPFEDSA-N -2 3 366.464 2.414 20 0 FEADHL O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc2[n-]c(=S)oc2c1 ZINC000823250410 606019389 /nfs/dbraw/zinc/01/93/89/606019389.db2.gz XDDCKEKFFLSUQW-UHFFFAOYSA-N -2 3 370.369 2.366 20 0 FEADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc2[n-]c(=S)oc2c1 ZINC000823250410 606019393 /nfs/dbraw/zinc/01/93/93/606019393.db2.gz XDDCKEKFFLSUQW-UHFFFAOYSA-N -2 3 370.369 2.366 20 0 FEADHL CC(C)c1csc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820197483 606385159 /nfs/dbraw/zinc/38/51/59/606385159.db2.gz JUPXDPBURDWMRV-UHFFFAOYSA-N -2 3 350.429 2.247 20 0 FEADHL CC(C)c1csc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820197483 606385161 /nfs/dbraw/zinc/38/51/61/606385161.db2.gz JUPXDPBURDWMRV-UHFFFAOYSA-N -2 3 350.429 2.247 20 0 FEADHL CSc1ccncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000821990056 606637910 /nfs/dbraw/zinc/63/79/10/606637910.db2.gz PHMJVXHPXJTWNH-UHFFFAOYSA-N -2 3 362.440 2.093 20 0 FEADHL CSc1ccncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000821990056 606637911 /nfs/dbraw/zinc/63/79/11/606637911.db2.gz PHMJVXHPXJTWNH-UHFFFAOYSA-N -2 3 362.440 2.093 20 0 FEADHL C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000820698014 606886383 /nfs/dbraw/zinc/88/63/83/606886383.db2.gz PBJWRBYUXLXXRE-WPRPVWTQSA-N -2 3 357.386 2.002 20 0 FEADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822202218 606980987 /nfs/dbraw/zinc/98/09/87/606980987.db2.gz QDXBNLJYGABLSX-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822035324 607025883 /nfs/dbraw/zinc/02/58/83/607025883.db2.gz SOJUDCLWYXYBFU-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000821309927 607032683 /nfs/dbraw/zinc/03/26/83/607032683.db2.gz UKVGVQLDTXAOKD-UHFFFAOYSA-N -2 3 364.456 2.469 20 0 FEADHL CCCC(CCC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000825242724 607806355 /nfs/dbraw/zinc/80/63/55/607806355.db2.gz ZJBZEDBPWDBIGT-UHFFFAOYSA-N -2 3 365.459 2.029 20 0 FEADHL CCCC(CCC)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000825242724 607806356 /nfs/dbraw/zinc/80/63/56/607806356.db2.gz ZJBZEDBPWDBIGT-UHFFFAOYSA-N -2 3 365.459 2.029 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826211486 608107798 /nfs/dbraw/zinc/10/77/98/608107798.db2.gz GWNQRSHCZMRIPT-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1n[nH]c2cc(C(=O)[O-])ccc21 ZINC000825782975 608227341 /nfs/dbraw/zinc/22/73/41/608227341.db2.gz XRJWCXRURIRWLX-UHFFFAOYSA-N -2 3 374.364 2.478 20 0 FEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000826186984 608293011 /nfs/dbraw/zinc/29/30/11/608293011.db2.gz TZBRIIAXRSVFCF-UHFFFAOYSA-N -2 3 365.440 2.354 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2ccc(-c3nnn[n-]3)s2)c(C(=O)[O-])c1 ZINC000825565707 608386606 /nfs/dbraw/zinc/38/66/06/608386606.db2.gz XSJMQYNXPONTNZ-HYXAFXHYSA-N -2 3 371.378 2.369 20 0 FEADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824024987 609467769 /nfs/dbraw/zinc/46/77/69/609467769.db2.gz SFRCIOWUAWUANC-UHFFFAOYSA-N -2 3 361.358 2.009 20 0 FEADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824024987 609467772 /nfs/dbraw/zinc/46/77/72/609467772.db2.gz SFRCIOWUAWUANC-UHFFFAOYSA-N -2 3 361.358 2.009 20 0 FEADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824025251 609468774 /nfs/dbraw/zinc/46/87/74/609468774.db2.gz YQPOWMKBAAXUHB-UHFFFAOYSA-N -2 3 361.358 2.009 20 0 FEADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824025251 609468775 /nfs/dbraw/zinc/46/87/75/609468775.db2.gz YQPOWMKBAAXUHB-UHFFFAOYSA-N -2 3 361.358 2.009 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-] ZINC000560418558 674585782 /nfs/dbraw/zinc/58/57/82/674585782.db2.gz YAQNBFQOSKFPMO-LBPRGKRZSA-N -2 3 373.402 2.427 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)c(F)cc1Br ZINC000563355151 674876297 /nfs/dbraw/zinc/87/62/97/674876297.db2.gz DYGPXYMJPITABJ-UHFFFAOYSA-N -2 3 366.208 2.040 20 0 FEADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000563602822 674915286 /nfs/dbraw/zinc/91/52/86/674915286.db2.gz YJMWVGBKGNJRSP-UFBFGSQYSA-N -2 3 351.346 2.416 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2S(=O)(=O)[N-]C)cc1 ZINC000564563883 675037385 /nfs/dbraw/zinc/03/73/85/675037385.db2.gz RTPQJLUUJFVHFL-UHFFFAOYSA-N -2 3 372.443 2.097 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000570447843 670715788 /nfs/dbraw/zinc/71/57/88/670715788.db2.gz CBEUHZBIDPBLGF-NWDGAFQWSA-N -2 3 368.436 2.040 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000570447841 670715804 /nfs/dbraw/zinc/71/58/04/670715804.db2.gz CBEUHZBIDPBLGF-NEPJUHHUSA-N -2 3 368.436 2.040 20 0 FEADHL Cc1ccc(F)cc1S(=O)(=O)[N-]N=c1c(F)c(F)[n-]c(F)c1F ZINC000105386761 670800217 /nfs/dbraw/zinc/80/02/17/670800217.db2.gz PFJKVCRDUZMUMC-UHFFFAOYSA-N -2 3 353.272 2.391 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)Oc1ccccc1F ZINC000573086980 671080676 /nfs/dbraw/zinc/08/06/76/671080676.db2.gz WPBBDBDHRYZQPH-LLVKDONJSA-N -2 3 357.359 2.253 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1C(=O)[O-] ZINC000574317070 671226094 /nfs/dbraw/zinc/22/60/94/671226094.db2.gz QBBBFBZXNCOPJI-FZMZJTMJSA-N -2 3 359.444 2.406 20 0 FEADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000574567278 671255157 /nfs/dbraw/zinc/25/51/57/671255157.db2.gz ZYHIRRYBTRBSII-PSASIEDQSA-N -2 3 354.350 2.124 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000574570714 671255759 /nfs/dbraw/zinc/25/57/59/671255759.db2.gz MIGMXFQHJMJKCA-JSGCOSHPSA-N -2 3 371.798 2.440 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2Cl)C(=O)[O-])o1 ZINC000576111960 671345165 /nfs/dbraw/zinc/34/51/65/671345165.db2.gz RBVCRAMGKYOBGW-LBPRGKRZSA-N -2 3 357.815 2.463 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@](CC)(C(=O)[O-])c2ccccc2)s1 ZINC000577106647 671417170 /nfs/dbraw/zinc/41/71/70/671417170.db2.gz USBOWTHWGFSZBU-OAHLLOKOSA-N -2 3 354.453 2.374 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000577866407 671625482 /nfs/dbraw/zinc/62/54/82/671625482.db2.gz MHMZXVVRJHIYCZ-VXGBXAGGSA-N -2 3 368.436 2.040 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-][C@H](CSCCc2ccccc2)C(=O)[O-])o1 ZINC000578657795 671680758 /nfs/dbraw/zinc/68/07/58/671680758.db2.gz YUQGRMIFBXMRFS-CQSZACIVSA-N -2 3 369.464 2.295 20 0 FEADHL COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000579947681 671772025 /nfs/dbraw/zinc/77/20/25/671772025.db2.gz ZTKCQSXQDROUEC-JTQLQIEISA-N -2 3 370.452 2.007 20 0 FEADHL Cc1ccccc1C1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000580188469 671788870 /nfs/dbraw/zinc/78/88/70/671788870.db2.gz UXISZGCAYLAKJL-UHFFFAOYSA-N -2 3 352.437 2.160 20 0 FEADHL COC1(C[C@@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C(=O)[O-])CCC1 ZINC000650433118 677374171 /nfs/dbraw/zinc/37/41/71/677374171.db2.gz RJLCBVPEFNKKEL-SECBINFHSA-N -2 3 367.876 2.401 20 0 FEADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1 ZINC000131422391 672088374 /nfs/dbraw/zinc/08/83/74/672088374.db2.gz JULSUDWFQFCNAY-UHFFFAOYSA-N -2 3 352.387 2.011 20 0 FEADHL CCOC(=O)c1cnc(NC(=O)c2ccc(Br)cc2[O-])[n-]1 ZINC000585682938 672224741 /nfs/dbraw/zinc/22/47/41/672224741.db2.gz YPSOMKHCDOPXKV-UHFFFAOYSA-N -2 3 354.160 2.307 20 0 FEADHL CCOC(=O)c1c[n-]c(NC(=O)c2ccc(Br)cc2[O-])n1 ZINC000585682938 672224744 /nfs/dbraw/zinc/22/47/44/672224744.db2.gz YPSOMKHCDOPXKV-UHFFFAOYSA-N -2 3 354.160 2.307 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c[n-]1 ZINC000585730559 672227855 /nfs/dbraw/zinc/22/78/55/672227855.db2.gz XOQXLBRVFCZWBI-UHFFFAOYSA-N -2 3 363.317 2.406 20 0 FEADHL COc1cc(OC)c([N-]S(=O)(=O)CCc2ccccc2)c(C(=O)[O-])c1 ZINC000589939564 672549125 /nfs/dbraw/zinc/54/91/25/672549125.db2.gz RNGOHDAQUYXYFO-UHFFFAOYSA-N -2 3 365.407 2.386 20 0 FEADHL C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000230647414 672799222 /nfs/dbraw/zinc/79/92/22/672799222.db2.gz XFIKMWXBGUOUIB-HTQZYQBOSA-N -2 3 366.233 2.455 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCc2nc(C(=O)[O-])cs2)sc1Cl ZINC000231807523 672799556 /nfs/dbraw/zinc/79/95/56/672799556.db2.gz HIOLANUBXOZUGI-UHFFFAOYSA-N -2 3 366.873 2.386 20 0 FEADHL O=C([O-])/C=C/C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000310625410 673025239 /nfs/dbraw/zinc/02/52/39/673025239.db2.gz JTWMAJPGPLVPQQ-GORDUTHDSA-N -2 3 354.609 2.022 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000319750664 673037269 /nfs/dbraw/zinc/03/72/69/673037269.db2.gz BBDOBAZKPUKOOY-UHFFFAOYSA-N -2 3 362.791 2.314 20 0 FEADHL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427329188 673210663 /nfs/dbraw/zinc/21/06/63/673210663.db2.gz GLHJRBWZLMNTGZ-UHFFFAOYSA-N -2 3 366.370 2.027 20 0 FEADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000547548651 673861501 /nfs/dbraw/zinc/86/15/01/673861501.db2.gz NZZRBARWTSIINB-TVQRCGJNSA-N -2 3 373.814 2.163 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1c(F)cccc1F ZINC000547936161 673907092 /nfs/dbraw/zinc/90/70/92/673907092.db2.gz BZXKTULZRRKHTP-ZDUSSCGKSA-N -2 3 363.288 2.347 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000548240350 673940465 /nfs/dbraw/zinc/94/04/65/673940465.db2.gz YPTYIIKGKJMXHQ-LBPRGKRZSA-N -2 3 360.844 2.463 20 0 FEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])c1 ZINC000548588181 673976658 /nfs/dbraw/zinc/97/66/58/673976658.db2.gz KDKMSIHOKIGCNQ-ZJUUUORDSA-N -2 3 363.457 2.093 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]Cc2cc(F)c(C(=O)[O-])c(F)c2)s1 ZINC000567326821 675284122 /nfs/dbraw/zinc/28/41/22/675284122.db2.gz FFAQZJUXKGNENR-UHFFFAOYSA-N -2 3 362.379 2.160 20 0 FEADHL Cc1ccc(CSCC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000567805581 675324996 /nfs/dbraw/zinc/32/49/96/675324996.db2.gz MWIIZQXTJOLIGM-UHFFFAOYSA-N -2 3 355.437 2.498 20 0 FEADHL CC(C)(C)C[C@H](O)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000821245805 675422658 /nfs/dbraw/zinc/42/26/58/675422658.db2.gz AOBRCMWSBBQBLE-CABZTGNLSA-N -2 3 367.826 2.008 20 0 FEADHL CC(C)(C)C[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000821245866 675422679 /nfs/dbraw/zinc/42/26/79/675422679.db2.gz BFUIXMGWUWJAAR-PWSUYJOCSA-N -2 3 367.826 2.008 20 0 FEADHL CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825267961 675644479 /nfs/dbraw/zinc/64/44/79/675644479.db2.gz OMHQOZOPZZFPBN-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825267961 675644481 /nfs/dbraw/zinc/64/44/81/675644481.db2.gz OMHQOZOPZZFPBN-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL COc1ccc(CNC(=O)c2cccc(Cl)c2[O-])cc1-c1nnn[n-]1 ZINC000826201236 675683879 /nfs/dbraw/zinc/68/38/79/675683879.db2.gz GVZFGLQZCCCDOD-UHFFFAOYSA-N -2 3 359.773 2.164 20 0 FEADHL COc1ccc(CNC(=O)c2cccc(Cl)c2[O-])cc1-c1nn[n-]n1 ZINC000826201236 675683880 /nfs/dbraw/zinc/68/38/80/675683880.db2.gz GVZFGLQZCCCDOD-UHFFFAOYSA-N -2 3 359.773 2.164 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)c(F)c1 ZINC000826292614 675685300 /nfs/dbraw/zinc/68/53/00/675685300.db2.gz CZCAPNQFFLZDQE-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1-c1nn[n-]n1 ZINC000826299474 675685965 /nfs/dbraw/zinc/68/59/65/675685965.db2.gz GRJHXWNAVPGUEP-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(OC)ccc2Cl)c[n-]1 ZINC000618906984 676356209 /nfs/dbraw/zinc/35/62/09/676356209.db2.gz GUIRBDWVFCFVBC-UHFFFAOYSA-N -2 3 359.791 2.049 20 0 FEADHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000630431813 676900462 /nfs/dbraw/zinc/90/04/62/676900462.db2.gz DXARJRDDCRBYHD-ZKCHVHJHSA-N -2 3 368.274 2.432 20 0 FEADHL CSc1ccc([O-])c(C(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000830790632 677060805 /nfs/dbraw/zinc/06/08/05/677060805.db2.gz YSZKOHYEOIBACR-CQSZACIVSA-N -2 3 362.373 2.397 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-])c1ccc(C)o1 ZINC000645971642 677276118 /nfs/dbraw/zinc/27/61/18/677276118.db2.gz MCTDWTVVXLMBDK-GFCCVEGCSA-N -2 3 353.396 2.261 20 0 FEADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000646615713 677287347 /nfs/dbraw/zinc/28/73/47/677287347.db2.gz IHWUUIWPQDCYJG-UHFFFAOYSA-N -2 3 355.379 2.251 20 0 FEADHL CCc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)on1 ZINC000761289408 680718112 /nfs/dbraw/zinc/71/81/12/680718112.db2.gz PZHNASPYNHBYAS-UHFFFAOYSA-N -2 3 362.766 2.206 20 0 FEADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-])C1CC1 ZINC000656167096 677717646 /nfs/dbraw/zinc/71/76/46/677717646.db2.gz JTNURICODQZZHJ-UWVGGRQHSA-N -2 3 367.876 2.257 20 0 FEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc2c(cc1C(=O)[O-])OCO2)C1CCCC1 ZINC000656615228 677782814 /nfs/dbraw/zinc/78/28/14/677782814.db2.gz BXRHOTCBIVHHBT-HNNXBMFYSA-N -2 3 371.411 2.060 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(CCOC(C)=O)c2)c1 ZINC000763382432 680781815 /nfs/dbraw/zinc/78/18/15/680781815.db2.gz PLRFTVYQEUDSRL-UHFFFAOYSA-N -2 3 365.407 2.307 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2F)oc1C(=O)[O-] ZINC000663424146 678735704 /nfs/dbraw/zinc/73/57/04/678735704.db2.gz NDANNMLQJZVPPT-SNVBAGLBSA-N -2 3 357.359 2.171 20 0 FEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000844901190 681092314 /nfs/dbraw/zinc/09/23/14/681092314.db2.gz YAQCMKASWPQIJG-QNSHHTMESA-N -2 3 366.222 2.290 20 0 FEADHL Cc1nc(C=Cc2cccc(Br)n2)[n-]c(=O)c1CC(=O)[O-] ZINC000794712734 682992177 /nfs/dbraw/zinc/99/21/77/682992177.db2.gz KKYDLEVGZXUNMP-WAYWQWQTSA-N -2 3 350.172 2.446 20 0 FEADHL C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)ccc1F ZINC000795386366 683047427 /nfs/dbraw/zinc/04/74/27/683047427.db2.gz GYTKDLPVIYHVOE-JTQLQIEISA-N -2 3 369.370 2.143 20 0 FEADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)[C@H]2C[C@H]21 ZINC000926598820 683152143 /nfs/dbraw/zinc/15/21/43/683152143.db2.gz CJRTXJICVMXGLD-LOKLDPHHSA-N -2 3 350.223 2.381 20 0 FEADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)n1 ZINC000797431230 683250719 /nfs/dbraw/zinc/25/07/19/683250719.db2.gz IQCTYWQVLOXNAD-UHFFFAOYSA-N -2 3 363.226 2.406 20 0 FEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C1CC1 ZINC000798406404 683343959 /nfs/dbraw/zinc/34/39/59/683343959.db2.gz FENSRTIHRNFMPA-SECBINFHSA-N -2 3 366.208 2.120 20 0 FEADHL C[C@](CC(=O)[O-])([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CC1 ZINC000871997042 684908197 /nfs/dbraw/zinc/90/81/97/684908197.db2.gz OOBZZXMHRPFDHA-GFCCVEGCSA-N -2 3 352.334 2.022 20 0 FEADHL O=C(c1cccc(Br)c1[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898212605 690144837 /nfs/dbraw/zinc/14/48/37/690144837.db2.gz MWRFOTGAOIZMFG-MRVPVSSYSA-N -2 3 352.188 2.213 20 0 FEADHL O=C([O-])CC1CC([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000899931989 690443023 /nfs/dbraw/zinc/44/30/23/690443023.db2.gz XFZJARMXYQFISP-UHFFFAOYSA-N -2 3 352.437 2.342 20 0 FEADHL CC(C)[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C(=O)[O-] ZINC000901467945 690649423 /nfs/dbraw/zinc/64/94/23/690649423.db2.gz KGEPIQZKAWECON-MRVPVSSYSA-N -2 3 351.147 2.161 20 0 FEADHL CC(C)CN(CC1=Nc2ccccc2S(=O)(=O)[N-]1)CC(C)(C)C(=O)[O-] ZINC000903621057 690940896 /nfs/dbraw/zinc/94/08/96/690940896.db2.gz NTSZCYULQDZQFC-UHFFFAOYSA-N -2 3 367.471 2.077 20 0 FEADHL O=C([O-])C1CC2(C1)C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)CCS2 ZINC000908172949 691629833 /nfs/dbraw/zinc/62/98/33/691629833.db2.gz IVPCDSLIRDRZHT-VMBJYNEYSA-N -2 3 353.415 2.319 20 0 FEADHL CCOc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc(Cl)c1[O-] ZINC000910169261 691896237 /nfs/dbraw/zinc/89/62/37/691896237.db2.gz CIPWSHKNTYHETO-LLVKDONJSA-N -2 3 370.833 2.065 20 0 FEADHL CCC1CCC(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)(C(=O)[O-])CC1 ZINC000583359117 939790684 /nfs/dbraw/zinc/79/06/84/939790684.db2.gz QYUDIKQNVKDTFD-UHFFFAOYSA-N -2 3 359.382 2.115 20 0 FEADHL CCCCCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)[N-]C)o2)s1 ZINC000030600951 539887114 /nfs/dbraw/zinc/88/71/14/539887114.db2.gz RNQHXCXSDAVKNI-UHFFFAOYSA-N -2 3 358.445 2.024 20 0 FEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1 ZINC000032595461 539944014 /nfs/dbraw/zinc/94/40/14/539944014.db2.gz FYYPJHXUSOVPAO-UHFFFAOYSA-N -2 3 373.390 2.137 20 0 FEADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000035390703 539981571 /nfs/dbraw/zinc/98/15/71/539981571.db2.gz MMSDLLCMZOOSBZ-MRVPVSSYSA-N -2 3 356.263 2.288 20 0 FEADHL O=C(Nc1ccc(Br)cc1[O-])c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104849113 543147541 /nfs/dbraw/zinc/14/75/41/543147541.db2.gz KUAIIFAYEXZCKN-UHFFFAOYSA-N -2 3 361.151 2.291 20 0 FEADHL CN(CCN(C)C(=O)c1cc(F)ccc1[O-])C(=O)c1cc(F)ccc1[O-] ZINC000080003380 325113589 /nfs/dbraw/zinc/11/35/89/325113589.db2.gz PDYWUWARBZMHET-UHFFFAOYSA-N -2 3 364.348 2.220 20 0 FEADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000087491691 325283146 /nfs/dbraw/zinc/28/31/46/325283146.db2.gz NNDMEEWCOLZKSM-SSDOTTSWSA-N -2 3 356.263 2.146 20 0 FEADHL CCc1onc(C)c1[N-]C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000089400133 325315436 /nfs/dbraw/zinc/31/54/36/325315436.db2.gz LTRAFAKVWYOTTJ-UHFFFAOYSA-N -2 3 355.416 2.468 20 0 FEADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000172897099 327225206 /nfs/dbraw/zinc/22/52/06/327225206.db2.gz REQPPUHGIALMSO-UHFFFAOYSA-N -2 3 358.416 2.306 20 0 FEADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc(OCC3CC3)nc2)c1 ZINC000273747381 329888497 /nfs/dbraw/zinc/88/84/97/329888497.db2.gz UTIOOSHKZAIDQC-UHFFFAOYSA-N -2 3 368.436 2.109 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000274941243 329994824 /nfs/dbraw/zinc/99/48/24/329994824.db2.gz FBPRPGATGUQEIL-ZWNOBZJWSA-N -2 3 355.437 2.497 20 0 FEADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000274998941 330000461 /nfs/dbraw/zinc/00/04/61/330000461.db2.gz LNSRHIQMSILYBD-ZETCQYMHSA-N -2 3 354.197 2.120 20 0 FEADHL COCC[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000275007311 330001493 /nfs/dbraw/zinc/00/14/93/330001493.db2.gz BJMLVVQPUMXBPK-SNVBAGLBSA-N -2 3 363.844 2.323 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-])c1Cl ZINC000275770449 330087059 /nfs/dbraw/zinc/08/70/59/330087059.db2.gz SWIDEHYDPVSVRF-ZDUSSCGKSA-N -2 3 370.254 2.053 20 0 FEADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000554433655 674317043 /nfs/dbraw/zinc/31/70/43/674317043.db2.gz KHQQMQVEGKLNAF-RKDXNWHRSA-N -2 3 354.350 2.268 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccccc1 ZINC000479199008 561184222 /nfs/dbraw/zinc/18/42/22/561184222.db2.gz YUXBOBBTUYVKAU-LBPRGKRZSA-N -2 3 360.313 2.205 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(Cl)c1[O-] ZINC000172108584 546237112 /nfs/dbraw/zinc/23/71/12/546237112.db2.gz ZUXCBQJQDRJPRD-VIFPVBQESA-N -2 3 372.805 2.490 20 0 FEADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000479613992 561193370 /nfs/dbraw/zinc/19/33/70/561193370.db2.gz FIYXZJHPJWSEHF-SECBINFHSA-N -2 3 354.350 2.126 20 0 FEADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000485027110 561310766 /nfs/dbraw/zinc/31/07/66/561310766.db2.gz UXOQMGVCNSNSKS-UHFFFAOYSA-N -2 3 359.411 2.456 20 0 FEADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000485027110 561310767 /nfs/dbraw/zinc/31/07/67/561310767.db2.gz UXOQMGVCNSNSKS-UHFFFAOYSA-N -2 3 359.411 2.456 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCc2cccc(F)c2)c1 ZINC000184888939 547894937 /nfs/dbraw/zinc/89/49/37/547894937.db2.gz WYGOPJMJIUIVFX-UHFFFAOYSA-N -2 3 355.362 2.492 20 0 FEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000485278204 561316223 /nfs/dbraw/zinc/31/62/23/561316223.db2.gz RAZFFTPZUHQALL-UHFFFAOYSA-N -3 3 369.326 2.037 20 0 FEADHL C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)o1 ZINC000186279699 548111743 /nfs/dbraw/zinc/11/17/43/548111743.db2.gz AEJNWLAIELDIPV-SNVBAGLBSA-N -2 3 350.396 2.047 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)CC(=O)[O-] ZINC000230101732 548757951 /nfs/dbraw/zinc/75/79/51/548757951.db2.gz JWESUCLWMGOURT-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL O=C([O-])CCC[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000489290709 561407481 /nfs/dbraw/zinc/40/74/81/561407481.db2.gz QKGATRZZFXJYRW-UHFFFAOYSA-N -2 3 373.228 2.140 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)nc2)ccc1[O-] ZINC000268763184 550113310 /nfs/dbraw/zinc/11/33/10/550113310.db2.gz IHCOYFAMFQBJAV-UHFFFAOYSA-N -2 3 365.411 2.334 20 0 FEADHL O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271880952 550408231 /nfs/dbraw/zinc/40/82/31/550408231.db2.gz QNGQYKLDCNDGBI-UHFFFAOYSA-N -2 3 371.315 2.311 20 0 FEADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000274983991 550569424 /nfs/dbraw/zinc/56/94/24/550569424.db2.gz JWTHEFPCLRJNEW-NSHDSACASA-N -2 3 354.211 2.094 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)[C@@H]1CCOC1 ZINC000281002956 551053797 /nfs/dbraw/zinc/05/37/97/551053797.db2.gz LYFHDCNDEOEOFG-JGVFFNPUSA-N -2 3 368.238 2.395 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)s1 ZINC000282883912 551281686 /nfs/dbraw/zinc/28/16/86/551281686.db2.gz QCBMZFSXEKUZSO-UHFFFAOYSA-N -2 3 354.247 2.105 20 0 FEADHL COC(=O)c1c(C)[nH]c(C([O-])=C(C)S(=O)(=O)c2cccc([O-])c2)c1C ZINC000296047712 553095389 /nfs/dbraw/zinc/09/53/89/553095389.db2.gz WFTSVOTVVIUUJV-LLVKDONJSA-N -2 3 365.407 2.169 20 0 FEADHL O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000299150730 553522004 /nfs/dbraw/zinc/52/20/04/553522004.db2.gz YPJNAHJNGQIBEZ-VIFPVBQESA-N -2 3 373.800 2.025 20 0 FEADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000322071927 553768115 /nfs/dbraw/zinc/76/81/15/553768115.db2.gz DFKVJDAJIDFNON-WCQYABFASA-N -2 3 362.791 2.170 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2F)cc1 ZINC000324637652 553773236 /nfs/dbraw/zinc/77/32/36/553773236.db2.gz SVNDFNYBWSVPFI-UHFFFAOYSA-N -2 3 352.343 2.148 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000326641787 553782557 /nfs/dbraw/zinc/78/25/57/553782557.db2.gz UQGDLYJMZVNTST-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3F)cc21 ZINC000327059687 553785930 /nfs/dbraw/zinc/78/59/30/553785930.db2.gz ZYVJYAOIOASIQY-QMMMGPOBSA-N -2 3 364.354 2.380 20 0 FEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000327388906 553788596 /nfs/dbraw/zinc/78/85/96/553788596.db2.gz QZMRNFPGDNBVMJ-UHFFFAOYSA-N -2 3 359.363 2.143 20 0 FEADHL C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3F)cc21 ZINC000327791478 553791676 /nfs/dbraw/zinc/79/16/76/553791676.db2.gz CQGRIETUAMLXTH-QMMMGPOBSA-N -2 3 364.354 2.380 20 0 FEADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000361974283 554941301 /nfs/dbraw/zinc/94/13/01/554941301.db2.gz KQTCQABAMQNTJZ-UHFFFAOYSA-N -2 3 368.368 2.256 20 0 FEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H](C)c1c(C)noc1C ZINC000514789267 561979800 /nfs/dbraw/zinc/97/98/00/561979800.db2.gz JJITUJIJXLZEEF-SSDOTTSWSA-N -2 3 374.440 2.142 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCC1 ZINC000516185713 562034809 /nfs/dbraw/zinc/03/48/09/562034809.db2.gz KOTUBDFKFIFZGG-UHFFFAOYSA-N -2 3 368.636 2.388 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C1CC1 ZINC000517234067 562081597 /nfs/dbraw/zinc/08/15/97/562081597.db2.gz QHWATVRKNHIHEA-GFCCVEGCSA-N -2 3 352.437 2.141 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC3(CCC3)C2)c1F ZINC000372265963 557424932 /nfs/dbraw/zinc/42/49/32/557424932.db2.gz CVORHZVANQEXLE-DOMZBBRYSA-N -2 3 371.430 2.215 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)o1 ZINC000519395081 562130949 /nfs/dbraw/zinc/13/09/49/562130949.db2.gz ZNMXKGXAXVPGLR-TZMCWYRMSA-N -2 3 351.380 2.176 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)o1 ZINC000519395080 562130962 /nfs/dbraw/zinc/13/09/62/562130962.db2.gz ZNMXKGXAXVPGLR-OCCSQVGLSA-N -2 3 351.380 2.176 20 0 FEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1C(=O)[O-] ZINC000520334049 562153780 /nfs/dbraw/zinc/15/37/80/562153780.db2.gz SCWAVKDUKDVLJO-UHFFFAOYSA-N -2 3 365.407 2.174 20 0 FEADHL C[C@]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)(C(=O)[O-])C1CC1 ZINC000521432100 562176342 /nfs/dbraw/zinc/17/63/42/562176342.db2.gz LUBJSHRUBUTQMM-OAHLLOKOSA-N -2 3 352.437 2.342 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCCC2)C1 ZINC000521997630 562188658 /nfs/dbraw/zinc/18/86/58/562188658.db2.gz QZFFYWALYFIMDT-SNVBAGLBSA-N -2 3 360.457 2.002 20 0 FEADHL CCOCc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000523286970 562210485 /nfs/dbraw/zinc/21/04/85/562210485.db2.gz AHFUKLRMOQUONU-UHFFFAOYSA-N -2 3 365.407 2.487 20 0 FEADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000392682466 558618597 /nfs/dbraw/zinc/61/85/97/558618597.db2.gz AKKTZEGMHFWCRA-UHFFFAOYSA-N -2 3 353.327 2.111 20 0 FEADHL CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000393046413 558620458 /nfs/dbraw/zinc/62/04/58/558620458.db2.gz XWSCXGKDVOTQGK-UHFFFAOYSA-N -2 3 370.333 2.422 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC3=O)cc2)cc1C(=O)[O-] ZINC000410422682 558756629 /nfs/dbraw/zinc/75/66/29/558756629.db2.gz YSUFAVRVPWLXII-UHFFFAOYSA-N -2 3 374.418 2.485 20 0 FEADHL CCCCOc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c([O-])c1 ZINC000412323306 559027996 /nfs/dbraw/zinc/02/79/96/559027996.db2.gz ISKLMVVBJFLGAU-LBPRGKRZSA-N -2 3 360.414 2.415 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1)C(F)F ZINC000414322846 559156059 /nfs/dbraw/zinc/15/60/59/559156059.db2.gz HOYJPWVSNQAKIA-SECBINFHSA-N -2 3 372.187 2.469 20 0 FEADHL O=C(c1c[n-]c2c(Cl)cccc2c1=O)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000420138448 559474475 /nfs/dbraw/zinc/47/44/75/559474475.db2.gz WQUWLOWGCXNEIW-LBPRGKRZSA-N -2 3 373.800 2.373 20 0 FEADHL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c(C(=O)[O-])c1 ZINC000433524616 559883565 /nfs/dbraw/zinc/88/35/65/559883565.db2.gz KMTTWNKGGQDUPD-UHFFFAOYSA-N -4 3 365.363 2.152 20 0 FEADHL O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1cc(F)ccc1[O-] ZINC000436600446 559946481 /nfs/dbraw/zinc/94/64/81/559946481.db2.gz FEXXQDXUGJCLCH-UHFFFAOYSA-N -2 3 366.370 2.029 20 0 FEADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436614504 559946553 /nfs/dbraw/zinc/94/65/53/559946553.db2.gz YJNWOOVJCOMRAS-UHFFFAOYSA-N -2 3 364.423 2.382 20 0 FEADHL O=C(Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1)c1cc(Cl)ccc1[O-] ZINC000436617593 559946585 /nfs/dbraw/zinc/94/65/85/559946585.db2.gz KXFLNTOSFGPCMB-CYBMUJFWSA-N -2 3 359.769 2.048 20 0 FEADHL Cc1ncc(CNC(=O)c2cc(F)cc(Br)c2[O-])c(=O)[n-]1 ZINC000436846947 559954086 /nfs/dbraw/zinc/95/40/86/559954086.db2.gz CVCGKSGJDXRAFV-UHFFFAOYSA-N -2 3 356.151 2.028 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc(C(=O)[O-])c1C ZINC000436849303 559954115 /nfs/dbraw/zinc/95/41/15/559954115.db2.gz ZDHZBHQZKKSGBX-UHFFFAOYSA-N -3 3 365.363 2.206 20 0 FEADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2C[C@H](C)Oc3ccccc32)c1 ZINC000436866693 559954895 /nfs/dbraw/zinc/95/48/95/559954895.db2.gz ZURPNDGKVMTUSV-NSHDSACASA-N -2 3 363.391 2.375 20 0 FEADHL COc1cc(NC(=O)c2c([O-])cccc2F)ccc1[N-]S(C)(=O)=O ZINC000436919208 559956572 /nfs/dbraw/zinc/95/65/72/559956572.db2.gz KHAWMQRDWVQJPW-UHFFFAOYSA-N -2 3 354.359 2.164 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000443220051 560075103 /nfs/dbraw/zinc/07/51/03/560075103.db2.gz WPPKKUUXZXXAML-VIFPVBQESA-N -2 3 369.756 2.139 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000443220051 560075104 /nfs/dbraw/zinc/07/51/04/560075104.db2.gz WPPKKUUXZXXAML-VIFPVBQESA-N -2 3 369.756 2.139 20 0 FEADHL Cc1cc(C(=O)[N-]c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2F)no1 ZINC000461468544 560773343 /nfs/dbraw/zinc/77/33/43/560773343.db2.gz BYRJTQYBKAAJDX-UHFFFAOYSA-N -2 3 373.793 2.469 20 0 FEADHL COc1cc(OC)c(OC)cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000470263974 560977612 /nfs/dbraw/zinc/97/76/12/560977612.db2.gz NPKASHBAOYJXMG-WAYWQWQTSA-N -2 3 360.366 2.314 20 0 FEADHL CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474435611 561074047 /nfs/dbraw/zinc/07/40/47/561074047.db2.gz SCFOUDPBASRQEC-CPCISQLKSA-N -2 3 352.815 2.087 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccnc2)cc1F ZINC000476229449 561113850 /nfs/dbraw/zinc/11/38/50/561113850.db2.gz JAGRGMRKWWSSAQ-UHFFFAOYSA-N -2 3 373.431 2.173 20 0 FEADHL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000534317843 562531434 /nfs/dbraw/zinc/53/14/34/562531434.db2.gz PBHANFIQKCKANV-UHFFFAOYSA-N -2 3 354.359 2.299 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1)c1ccc(C)o1 ZINC000545545632 562628700 /nfs/dbraw/zinc/62/87/00/562628700.db2.gz KVHSXLRGRHBHCB-OAHLLOKOSA-N -2 3 367.423 2.271 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)C[C@H]1CCCC1(F)F)c1ncc(C(=O)[O-])s1 ZINC000563148631 568284472 /nfs/dbraw/zinc/28/44/72/568284472.db2.gz WXUAQGJQCPHSJE-HTQZYQBOSA-N -2 3 354.400 2.257 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)cn1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000738342906 598891461 /nfs/dbraw/zinc/89/14/61/598891461.db2.gz SHHZAUVGQQKSAW-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735504399 598928555 /nfs/dbraw/zinc/92/85/55/598928555.db2.gz MZFKNSHQSMANLA-UHFFFAOYSA-N -2 3 357.395 2.179 20 0 FEADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)C(C)C ZINC000736331828 598977653 /nfs/dbraw/zinc/97/76/53/598977653.db2.gz LWQBVZXQQXBPKM-LBPRGKRZSA-N -2 3 365.459 2.052 20 0 FEADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(C)C ZINC000736331828 598977654 /nfs/dbraw/zinc/97/76/54/598977654.db2.gz LWQBVZXQQXBPKM-LBPRGKRZSA-N -2 3 365.459 2.052 20 0 FEADHL Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)cc21 ZINC000737614053 599237633 /nfs/dbraw/zinc/23/76/33/599237633.db2.gz SACIVZPVSZFFOR-UHFFFAOYSA-N -2 3 372.385 2.298 20 0 FEADHL Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)cc21 ZINC000737614053 599237634 /nfs/dbraw/zinc/23/76/34/599237634.db2.gz SACIVZPVSZFFOR-UHFFFAOYSA-N -2 3 372.385 2.298 20 0 FEADHL O=S(=O)([N-]c1nc2ccsc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738338754 599286867 /nfs/dbraw/zinc/28/68/67/599286867.db2.gz IWRPDSITVHCJOQ-UHFFFAOYSA-N -2 3 364.437 2.339 20 0 FEADHL O=S(=O)([N-]c1cccc2cccnc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000738343241 598514048 /nfs/dbraw/zinc/51/40/48/598514048.db2.gz VGYXHMBMDGPSMO-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=S(=O)([N-]c1cccc2cccnc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000738343241 598514050 /nfs/dbraw/zinc/51/40/50/598514050.db2.gz VGYXHMBMDGPSMO-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000738359371 599768558 /nfs/dbraw/zinc/76/85/58/599768558.db2.gz RUYVSTQCWMMRPK-UHFFFAOYSA-N -3 3 365.363 2.206 20 0 FEADHL COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1c(F)cc([O-])cc1F ZINC000821745235 607419165 /nfs/dbraw/zinc/41/91/65/607419165.db2.gz LEDNLOFDMGVUAO-UHFFFAOYSA-N -2 3 362.292 2.216 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC000738655386 600102901 /nfs/dbraw/zinc/10/29/01/600102901.db2.gz SHJNADLPCMMTPQ-JKSUJKDBSA-N -2 3 374.418 2.455 20 0 FEADHL Cc1ccc([C@H](CNC(=O)CCc2c(C)nc(C)[n-]c2=O)C(=O)[O-])cc1 ZINC000738554425 600164811 /nfs/dbraw/zinc/16/48/11/600164811.db2.gz ORBYCWUDFFOIPN-INIZCTEOSA-N -2 3 357.410 2.025 20 0 FEADHL CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737371156 600360872 /nfs/dbraw/zinc/36/08/72/600360872.db2.gz YVACGAOYGQHWRO-UHFFFAOYSA-N -2 3 352.387 2.386 20 0 FEADHL O=C([O-])Nc1ccc(CCNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000740022958 600454986 /nfs/dbraw/zinc/45/49/86/600454986.db2.gz HKTZQZYHWKGDAZ-UHFFFAOYSA-N -2 3 368.349 2.024 20 0 FEADHL O=C([O-])c1ncn(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)n1 ZINC000740282340 600474333 /nfs/dbraw/zinc/47/43/33/600474333.db2.gz UEGZQRGRVDOSGB-UHFFFAOYSA-N -2 3 353.363 2.402 20 0 FEADHL Cc1nn(C)c2sc(C(=O)[N-]c3nnc(CCCC(=O)[O-])s3)cc12 ZINC000738920325 600538607 /nfs/dbraw/zinc/53/86/07/600538607.db2.gz YLWNPSRTQBZJFU-UHFFFAOYSA-N -2 3 365.440 2.454 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Oc1cccc(Cl)c1 ZINC000827507153 600780177 /nfs/dbraw/zinc/78/01/77/600780177.db2.gz AQJGPGYALOVNEO-SECBINFHSA-N -2 3 359.787 2.377 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]CCc2csc(C(C)C)n2)cc1C(=O)[O-] ZINC000579349433 601219727 /nfs/dbraw/zinc/21/97/27/601219727.db2.gz LYGPZYQHABOIAW-UHFFFAOYSA-N -2 3 358.441 2.387 20 0 FEADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C2CC2)s1 ZINC000574036666 601222944 /nfs/dbraw/zinc/22/29/44/601222944.db2.gz ZLCCKSSWZWVYTM-LBPRGKRZSA-N -2 3 356.425 2.481 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2)o1 ZINC000833323278 601227918 /nfs/dbraw/zinc/22/79/18/601227918.db2.gz NRFJEMVMOALHJG-NSHDSACASA-N -2 3 370.814 2.188 20 0 FEADHL CCCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000829286418 601237322 /nfs/dbraw/zinc/23/73/22/601237322.db2.gz TYDPMOGTUSBEJV-VIFPVBQESA-N -2 3 351.371 2.147 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000013367539 601317817 /nfs/dbraw/zinc/31/78/17/601317817.db2.gz BCJYJPFZRBZBDE-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc(Br)s2)CCC1 ZINC000094291174 601443657 /nfs/dbraw/zinc/44/36/57/601443657.db2.gz CDITZDKBHMHNCG-UHFFFAOYSA-N -2 3 354.247 2.186 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1-c1nnn[n-]1 ZINC000826303726 607536378 /nfs/dbraw/zinc/53/63/78/607536378.db2.gz BPFOYKXWYGGOFY-UHFFFAOYSA-N -2 3 354.395 2.457 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1-c1nn[n-]n1 ZINC000826303726 607536379 /nfs/dbraw/zinc/53/63/79/607536379.db2.gz BPFOYKXWYGGOFY-UHFFFAOYSA-N -2 3 354.395 2.457 20 0 FEADHL Cc1nc(C)c([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)s1 ZINC000826324173 607537101 /nfs/dbraw/zinc/53/71/01/607537101.db2.gz HDVRYPLNFRNFHR-UHFFFAOYSA-N -2 3 350.429 2.049 20 0 FEADHL Cc1nc(C)c([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)s1 ZINC000826324173 607537103 /nfs/dbraw/zinc/53/71/03/607537103.db2.gz HDVRYPLNFRNFHR-UHFFFAOYSA-N -2 3 350.429 2.049 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)c1-c1nnn[n-]1 ZINC000826267752 607538130 /nfs/dbraw/zinc/53/81/30/607538130.db2.gz URZWKXSLJVUBJP-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cnc(Cl)cc2C)c1-c1nn[n-]n1 ZINC000826267752 607538132 /nfs/dbraw/zinc/53/81/32/607538132.db2.gz URZWKXSLJVUBJP-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000566173681 602119915 /nfs/dbraw/zinc/11/99/15/602119915.db2.gz OHFCWXSLMOJIFI-UHFFFAOYSA-N -2 3 355.441 2.012 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C(C2CC2)C2CC2)c(Br)o1 ZINC000055329781 602142695 /nfs/dbraw/zinc/14/26/95/602142695.db2.gz ZBUNLVBLIIRSEX-UHFFFAOYSA-N -2 3 364.217 2.207 20 0 FEADHL C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000071207907 602153450 /nfs/dbraw/zinc/15/34/50/602153450.db2.gz MSKRWEYONHBJKB-NKWVEPMBSA-N -2 3 352.206 2.207 20 0 FEADHL Cc1oc(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)cc1C(=O)[O-] ZINC000558474329 674498474 /nfs/dbraw/zinc/49/84/74/674498474.db2.gz SJAJIBSJZHATQV-UHFFFAOYSA-N -2 3 364.301 2.179 20 0 FEADHL CC(C)(CNC(=O)[O-])[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000738752889 602539139 /nfs/dbraw/zinc/53/91/39/602539139.db2.gz QELLNFZVHOHPST-UHFFFAOYSA-N -2 3 355.441 2.135 20 0 FEADHL O=C([O-])N1CCC[C@H]1[C@H]1CCCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000740728523 602590367 /nfs/dbraw/zinc/59/03/67/602590367.db2.gz BLMZBLUGPAYJHJ-WFASDCNBSA-N -2 3 370.409 2.330 20 0 FEADHL O=C([O-])N1CCCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C1 ZINC000740519102 602869681 /nfs/dbraw/zinc/86/96/81/602869681.db2.gz MJLXWDSWKVCNFD-JTQLQIEISA-N -2 3 350.799 2.290 20 0 FEADHL O=C([O-])N1CCC[C@H](C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000740511127 602878697 /nfs/dbraw/zinc/87/86/97/602878697.db2.gz DMIGKRYCXBKHPA-MRVPVSSYSA-N -2 3 368.242 2.057 20 0 FEADHL O=C([O-])NC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000832514465 603137672 /nfs/dbraw/zinc/13/76/72/603137672.db2.gz NCAWCBZTDIZINR-PRHODGIISA-N -2 3 366.361 2.209 20 0 FEADHL C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cn2[n-]c(-c3ccccn3)nc2=S)C1 ZINC000825272689 604027506 /nfs/dbraw/zinc/02/75/06/604027506.db2.gz NAFHZGVJKVUCQD-NEPJUHHUSA-N -2 3 362.459 2.328 20 0 FEADHL CC(C)CSCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000397111136 604568478 /nfs/dbraw/zinc/56/84/78/604568478.db2.gz CGOAGLRFCQSXAZ-UHFFFAOYSA-N -2 3 353.412 2.331 20 0 FEADHL C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CCN(C(=O)[O-])CC1 ZINC000824686141 604807803 /nfs/dbraw/zinc/80/78/03/604807803.db2.gz QBWPDXVRYWNYED-LLVKDONJSA-N -2 3 358.402 2.221 20 0 FEADHL C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CCN(C(=O)[O-])CC1 ZINC000824686141 604807806 /nfs/dbraw/zinc/80/78/06/604807806.db2.gz QBWPDXVRYWNYED-LLVKDONJSA-N -2 3 358.402 2.221 20 0 FEADHL CCOc1ccc(C[C@@H](C[N-]S(=O)(=O)c2ccc(C)o2)C(=O)[O-])cc1 ZINC000577175124 605009457 /nfs/dbraw/zinc/00/94/57/605009457.db2.gz FZFOFWYSANAKFN-AWEZNQCLSA-N -2 3 367.423 2.209 20 0 FEADHL CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(C)cc3C(=O)[O-])ccc21 ZINC000833392131 605184678 /nfs/dbraw/zinc/18/46/78/605184678.db2.gz RZPDVUVSNDDWNN-UHFFFAOYSA-N -2 3 374.418 2.403 20 0 FEADHL COc1ccc(NCCC2CCN(C(=O)[O-])CC2)cc1[N-]S(C)(=O)=O ZINC000829479123 605242863 /nfs/dbraw/zinc/24/28/63/605242863.db2.gz DKJOFQDKZPJJDP-UHFFFAOYSA-N -2 3 371.459 2.259 20 0 FEADHL O=C(CN1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1)[N-]OCc1ccccc1 ZINC000834008225 605807268 /nfs/dbraw/zinc/80/72/68/605807268.db2.gz TVFSFKODMZEOTF-IAGOWNOFSA-N -2 3 361.442 2.089 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1O ZINC000822327867 606435973 /nfs/dbraw/zinc/43/59/73/606435973.db2.gz KVGMMPTXCKPWTF-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1O ZINC000822327867 606435974 /nfs/dbraw/zinc/43/59/74/606435974.db2.gz KVGMMPTXCKPWTF-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c(F)cc1F ZINC000822211872 606611269 /nfs/dbraw/zinc/61/12/69/606611269.db2.gz RSICCRUBVPXDCH-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c(F)cc1F ZINC000822211872 606611270 /nfs/dbraw/zinc/61/12/70/606611270.db2.gz RSICCRUBVPXDCH-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)ccc1F ZINC000822209527 606866110 /nfs/dbraw/zinc/86/61/10/606866110.db2.gz MNLWAZNKPYYBMS-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)ccc1F ZINC000822209527 606866112 /nfs/dbraw/zinc/86/61/12/606866112.db2.gz MNLWAZNKPYYBMS-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c1F ZINC000826304147 609371162 /nfs/dbraw/zinc/37/11/62/609371162.db2.gz YKPVLYUWCCKFAM-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c1F ZINC000826304147 609371164 /nfs/dbraw/zinc/37/11/64/609371164.db2.gz YKPVLYUWCCKFAM-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)c(F)cc1Br ZINC000562737383 674799115 /nfs/dbraw/zinc/79/91/15/674799115.db2.gz QZYAHXUJGHQAGG-LLVKDONJSA-N -2 3 366.208 2.038 20 0 FEADHL Cc1nc(-c2cccc(Cl)c2)sc1C(=O)[N-]n1c(=O)[n-][nH]c1=O ZINC000816731396 675076012 /nfs/dbraw/zinc/07/60/12/675076012.db2.gz PNILETMFSIODBX-UHFFFAOYSA-N -2 3 351.775 2.159 20 0 FEADHL COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000042795797 670169219 /nfs/dbraw/zinc/16/92/19/670169219.db2.gz WNSWDARIDVHGPS-UHFFFAOYSA-N -2 3 350.352 2.364 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCCOc2ccc(F)cc21 ZINC000569217519 670527384 /nfs/dbraw/zinc/52/73/84/670527384.db2.gz GTIJSCBAUAWVHQ-SNVBAGLBSA-N -2 3 372.399 2.173 20 0 FEADHL COC(=O)[C@@H](CS(=O)(=O)[N-]c1cccc([O-])c1F)c1ccccc1 ZINC000571904097 670938474 /nfs/dbraw/zinc/93/84/74/670938474.db2.gz FNEJZSLMBJEBHF-LBPRGKRZSA-N -2 3 353.371 2.230 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000572360310 670992487 /nfs/dbraw/zinc/99/24/87/670992487.db2.gz RGBIABPAUGBISQ-ZFWWWQNUSA-N -2 3 351.380 2.095 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2cc(Cl)cc3c2OCC3)cc1C(=O)[O-] ZINC000577865207 671625353 /nfs/dbraw/zinc/62/53/53/671625353.db2.gz MIFBTZMPJWFPMG-UHFFFAOYSA-N -2 3 371.798 2.353 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000581724015 671930388 /nfs/dbraw/zinc/93/03/88/671930388.db2.gz KIAZTBNKEQGDSX-DZGCQCFKSA-N -2 3 365.407 2.485 20 0 FEADHL Cc1c(Cl)cccc1S(=O)(=O)[N-][N-]C(=O)NCc1ccccc1 ZINC000189132813 672608786 /nfs/dbraw/zinc/60/87/86/672608786.db2.gz QZPCMYZBAQCNAH-UHFFFAOYSA-N -2 3 353.831 2.341 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCc2ccc(CC(=O)[O-])cc2)c(F)cc1F ZINC000681570954 672674192 /nfs/dbraw/zinc/67/41/92/672674192.db2.gz GISJXNUAPMHONA-UHFFFAOYSA-N -2 3 369.389 2.421 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](Cc2ccccc2)C(=O)[O-])cc1F ZINC000681577713 672676466 /nfs/dbraw/zinc/67/64/66/672676466.db2.gz XVFBLMUYZNCVRK-ZDUSSCGKSA-N -2 3 369.389 2.495 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)CCCc2ccccc2)c(Cl)n1 ZINC000193325149 672720407 /nfs/dbraw/zinc/72/04/07/672720407.db2.gz OJFPSKAJQIGRPA-UHFFFAOYSA-N -2 3 367.858 2.376 20 0 FEADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000682894474 672797042 /nfs/dbraw/zinc/79/70/42/672797042.db2.gz OKQXWZPEWHLEJX-UHFFFAOYSA-N -2 3 374.340 2.320 20 0 FEADHL COc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-] ZINC000319039550 673036140 /nfs/dbraw/zinc/03/61/40/673036140.db2.gz CMOLTONIJMETSV-ZETCQYMHSA-N -2 3 361.725 2.033 20 0 FEADHL Cc1c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cccc1C(=O)[O-] ZINC000325122559 673048581 /nfs/dbraw/zinc/04/85/81/673048581.db2.gz XQWGCURABIXCEK-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL CCCSC[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)[O-] ZINC000600652275 673786230 /nfs/dbraw/zinc/78/62/30/673786230.db2.gz SMAYZEBGVLDDAH-VIFPVBQESA-N -2 3 353.412 2.148 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CCOCC1 ZINC000547615383 673875250 /nfs/dbraw/zinc/87/52/50/673875250.db2.gz QMBMDYGLMHCOEI-LBPRGKRZSA-N -2 3 365.810 2.027 20 0 FEADHL COc1cc(OC)c([N-]S(=O)(=O)Cc2ccccc2)c(C(=O)[O-])c1 ZINC000548203755 673933847 /nfs/dbraw/zinc/93/38/47/673933847.db2.gz XQYHQJQLOURUJO-UHFFFAOYSA-N -2 3 351.380 2.344 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000548535960 673967419 /nfs/dbraw/zinc/96/74/19/673967419.db2.gz NOFGKNQREQMLJE-LBPRGKRZSA-N -2 3 372.830 2.167 20 0 FEADHL CC(C)c1nc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2Cl)c[nH]1 ZINC000820202336 675342923 /nfs/dbraw/zinc/34/29/23/675342923.db2.gz HCJJZNMDFIVXBX-UHFFFAOYSA-N -2 3 367.822 2.167 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1-c1nn[n-]n1 ZINC000826272528 675685286 /nfs/dbraw/zinc/68/52/86/675685286.db2.gz OJEZXGSFRDIDPC-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1-c1nn[n-]n1 ZINC000826299700 675685886 /nfs/dbraw/zinc/68/58/86/675685886.db2.gz QNKVHUMXJNDQBM-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2ccccc2C(=O)[O-])o1 ZINC000829411075 675878362 /nfs/dbraw/zinc/87/83/62/675878362.db2.gz OJNPKLCIXXMRLP-OAHLLOKOSA-N -2 3 367.423 2.347 20 0 FEADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 ZINC000650427876 677373432 /nfs/dbraw/zinc/37/34/32/677373432.db2.gz UUCUZCIVFOXAEB-ZETCQYMHSA-N -2 3 371.308 2.256 20 0 FEADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])s2)cs1 ZINC000656163508 677716787 /nfs/dbraw/zinc/71/67/87/677716787.db2.gz ZQQHOQWKKJVMOO-MRVPVSSYSA-N -2 3 364.445 2.271 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)c2ccccc2)s1 ZINC000656518886 677763988 /nfs/dbraw/zinc/76/39/88/677763988.db2.gz BASQQZSSXBOTAJ-QMTHXVAHSA-N -2 3 354.453 2.241 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000663425360 678736141 /nfs/dbraw/zinc/73/61/41/678736141.db2.gz RYPFSIATXQKMON-UONOGXRCSA-N -2 3 365.407 2.485 20 0 FEADHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)n1 ZINC000759091161 680625988 /nfs/dbraw/zinc/62/59/88/680625988.db2.gz KZRGMBQJLCBFBJ-UHFFFAOYSA-N -2 3 370.818 2.059 20 0 FEADHL CONC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000843770194 681017405 /nfs/dbraw/zinc/01/74/05/681017405.db2.gz URRPYLZJMCLSLJ-UHFFFAOYSA-N -2 3 356.787 2.138 20 0 FEADHL O=C([O-])CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000776637319 681421086 /nfs/dbraw/zinc/42/10/86/681421086.db2.gz UXRLKVICXIPAIZ-ZDUSSCGKSA-N -2 3 368.842 2.489 20 0 FEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1(C)CCCCC1 ZINC000780285161 681811096 /nfs/dbraw/zinc/81/10/96/681811096.db2.gz GBGMBMWURGWWNJ-NSHDSACASA-N -2 3 363.867 2.084 20 0 FEADHL CCc1ccc(CN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])cc1 ZINC000852734729 682331401 /nfs/dbraw/zinc/33/14/01/682331401.db2.gz CUUSFJHQSIKLCI-ZIAGYGMSSA-N -2 3 358.360 2.345 20 0 FEADHL O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000853068904 682370880 /nfs/dbraw/zinc/37/08/80/682370880.db2.gz IOLNMESSBPEBKP-VIFPVBQESA-N -2 3 364.192 2.040 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(N2CCC2=O)c1 ZINC000790351317 682669740 /nfs/dbraw/zinc/66/97/40/682669740.db2.gz UBCDTNRJGVCIJR-UHFFFAOYSA-N -2 3 360.391 2.231 20 0 FEADHL C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000797427756 683249619 /nfs/dbraw/zinc/24/96/19/683249619.db2.gz CFUNEVVXCZAPNO-SSDOTTSWSA-N -2 3 370.652 2.492 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)s1 ZINC000899933210 690443606 /nfs/dbraw/zinc/44/36/06/690443606.db2.gz KDGLLGCUMJZNMP-UHFFFAOYSA-N -2 3 368.274 2.351 20 0 FEADHL C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000903886656 690983437 /nfs/dbraw/zinc/98/34/37/690983437.db2.gz SUPNTLKGDKSLNM-HZGVNTEJSA-N -2 3 354.211 2.005 20 0 FEADHL O=C([O-])C[C@@H](NCc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC000904053160 690998674 /nfs/dbraw/zinc/99/86/74/690998674.db2.gz FCUPTGYJUSIZHI-SECBINFHSA-N -2 3 368.130 2.068 20 0 FEADHL C[C@]1(C(=O)[O-])C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000906010403 691212978 /nfs/dbraw/zinc/21/29/78/691212978.db2.gz OBZFUIRQTVZFOK-TVQRCGJNSA-N -2 3 368.238 2.294 20 0 FEADHL COC[C@]1(C(=O)[O-])CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000909709326 691847571 /nfs/dbraw/zinc/84/75/71/691847571.db2.gz CVYQOVBVMPYTQY-SFHVURJKSA-N -2 3 353.390 2.194 20 0 FEADHL CCCc1nnc([N-]C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)s1 ZINC000030571142 539885972 /nfs/dbraw/zinc/88/59/72/539885972.db2.gz YZEVZTIIMQESSR-UHFFFAOYSA-N -2 3 372.472 2.413 20 0 FEADHL CCc1cc2c([n-]c(CC(=O)Nc3ccccc3C(=O)[O-])nc2=O)s1 ZINC000055494775 540655597 /nfs/dbraw/zinc/65/55/97/540655597.db2.gz KWPDARUCJQYWEU-UHFFFAOYSA-N -2 3 357.391 2.426 20 0 FEADHL O=C(c1ccc([O-])c(Cl)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000076988708 542339419 /nfs/dbraw/zinc/33/94/19/542339419.db2.gz ROMRFBIIZMEMDS-UHFFFAOYSA-N -2 3 360.797 2.349 20 0 FEADHL O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc([O-])c(Cl)c1 ZINC000111667406 543411375 /nfs/dbraw/zinc/41/13/75/543411375.db2.gz MYKNRQMQONDKET-UHFFFAOYSA-N -2 3 360.844 2.414 20 0 FEADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000115701671 543582027 /nfs/dbraw/zinc/58/20/27/543582027.db2.gz BJMIFAOGNQOHJO-VIFPVBQESA-N -2 3 368.224 2.223 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000122949496 543733201 /nfs/dbraw/zinc/73/32/01/543733201.db2.gz FACHDHBPRXIICJ-UHFFFAOYSA-N -2 3 355.832 2.306 20 0 FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000122949496 543733203 /nfs/dbraw/zinc/73/32/03/543733203.db2.gz FACHDHBPRXIICJ-UHFFFAOYSA-N -2 3 355.832 2.306 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)sc1Br ZINC000126280526 543927703 /nfs/dbraw/zinc/92/77/03/543927703.db2.gz IRGJASWRROHOLW-JGVFFNPUSA-N -2 3 366.258 2.127 20 0 FEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2sccc2Br)o1 ZINC000126768514 543955553 /nfs/dbraw/zinc/95/55/53/543955553.db2.gz UBFLXUZEXXWMDQ-UHFFFAOYSA-N -2 3 366.214 2.280 20 0 FEADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000136253954 544369996 /nfs/dbraw/zinc/36/99/96/544369996.db2.gz SJXYVTWOYUJHDW-SSDOTTSWSA-N -2 3 356.263 2.288 20 0 FEADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)N(C)C)cc1 ZINC000184944203 327891087 /nfs/dbraw/zinc/89/10/87/327891087.db2.gz KOKPTUKREIRBRS-AWEZNQCLSA-N -2 3 368.480 2.336 20 0 FEADHL CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000188557855 328095196 /nfs/dbraw/zinc/09/51/96/328095196.db2.gz JOZWJQPKCSYHTF-UHFFFAOYSA-N -2 3 366.345 2.483 20 0 FEADHL CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)ccc21 ZINC000013093423 324373863 /nfs/dbraw/zinc/37/38/63/324373863.db2.gz PITYVNBCMVOEPN-UHFFFAOYSA-N -2 3 374.418 2.403 20 0 FEADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000050196071 324692403 /nfs/dbraw/zinc/69/24/03/324692403.db2.gz ZCUSJLPZRVKALX-UHFFFAOYSA-N -2 3 356.263 2.432 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1F ZINC000123763803 326441941 /nfs/dbraw/zinc/44/19/41/326441941.db2.gz GTFOFZXUZPGNID-UHFFFAOYSA-N -2 3 358.416 2.388 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)sc1Br ZINC000164952508 327075701 /nfs/dbraw/zinc/07/57/01/327075701.db2.gz HECSMKSYHKQTAF-UHFFFAOYSA-N -2 3 354.247 2.105 20 0 FEADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000262438537 328866014 /nfs/dbraw/zinc/86/60/14/328866014.db2.gz GXLIIHZPWUAACX-VIFPVBQESA-N -2 3 354.350 2.126 20 0 FEADHL CCOc1ccc(C[C@H](CNC(=O)c2cc(OC)ccc2[O-])C(=O)[O-])cc1 ZINC000262809755 328891585 /nfs/dbraw/zinc/89/15/85/328891585.db2.gz NXCLBEPYRUNGQX-CQSZACIVSA-N -2 3 373.405 2.473 20 0 FEADHL 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561215070 /nfs/dbraw/zinc/21/50/70/561215070.db2.gz IZOXWJXPJTZWAJ-UHFFFAOYSA-N -3 3 364.379 2.158 20 0 FEADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(Cl)c1 ZINC000485141798 561313785 /nfs/dbraw/zinc/31/37/85/561313785.db2.gz CHXQHZQFTXXDEJ-UHFFFAOYSA-N -2 3 357.775 2.126 20 0 FEADHL Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)C2CC2)s1 ZINC000185069020 547927144 /nfs/dbraw/zinc/92/71/44/547927144.db2.gz LRTIZDZJOYQKEF-GFCCVEGCSA-N -2 3 356.425 2.481 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCCC1 ZINC000230275543 548759901 /nfs/dbraw/zinc/75/99/01/548759901.db2.gz SYJCNBNGPGCLAQ-UHFFFAOYSA-N -2 3 366.208 2.264 20 0 FEADHL O=C(Nc1ncccc1[O-])[C@H]1CC[C@H](C(=O)Nc2ncccc2[O-])CC1 ZINC000272160482 550426057 /nfs/dbraw/zinc/42/60/57/550426057.db2.gz DITNEGYBPYBOSZ-HAQNSBGRSA-N -2 3 356.382 2.271 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCOCC1 ZINC000282114623 551182408 /nfs/dbraw/zinc/18/24/08/551182408.db2.gz ZESUEGWKSQGYKF-UHFFFAOYSA-N -2 3 368.238 2.153 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Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000518534740 562113860 /nfs/dbraw/zinc/11/38/60/562113860.db2.gz QUPLPEWOGKEKGJ-UHFFFAOYSA-N -2 3 350.783 2.333 20 0 FEADHL COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1F ZINC000519677670 562139531 /nfs/dbraw/zinc/13/95/31/562139531.db2.gz UIVIRQJDDLVGJD-UHFFFAOYSA-N -2 3 373.333 2.266 20 0 FEADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C(=O)[O-] ZINC000527052020 562274784 /nfs/dbraw/zinc/27/47/84/562274784.db2.gz ZJRFSJPFNVQXRQ-LLVKDONJSA-N -2 3 360.844 2.350 20 0 FEADHL COC(=O)[C@@H](CN=c1nc(C2CC2)[n-]s1)Cc1ccc([O-])c(F)c1 ZINC000420638513 559494600 /nfs/dbraw/zinc/49/46/00/559494600.db2.gz QHWGATIJAFGTQH-LLVKDONJSA-N -2 3 351.403 2.126 20 0 FEADHL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000421137415 559526022 /nfs/dbraw/zinc/52/60/22/559526022.db2.gz FZNBFTNKVMNNOJ-QGZVFWFLSA-N -2 3 363.435 2.313 20 0 FEADHL COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427331457 559753569 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/nfs/dbraw/zinc/97/72/21/598977221.db2.gz XWIZPGDAVKQNFM-LLVKDONJSA-N -2 3 365.459 2.052 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)C ZINC000737300447 598977223 /nfs/dbraw/zinc/97/72/23/598977223.db2.gz XWIZPGDAVKQNFM-LLVKDONJSA-N -2 3 365.459 2.052 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000822259367 607259021 /nfs/dbraw/zinc/25/90/21/607259021.db2.gz WNAKOIAEYHAWFQ-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000822259367 607259022 /nfs/dbraw/zinc/25/90/22/607259022.db2.gz WNAKOIAEYHAWFQ-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000738342909 598595938 /nfs/dbraw/zinc/59/59/38/598595938.db2.gz SKWVYKUWKUHXBT-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000738342909 598595940 /nfs/dbraw/zinc/59/59/40/598595940.db2.gz SKWVYKUWKUHXBT-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1O ZINC000737265187 599314691 /nfs/dbraw/zinc/31/46/91/599314691.db2.gz UOSGHGCQGLXEEO-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1O ZINC000737265187 599314693 /nfs/dbraw/zinc/31/46/93/599314693.db2.gz UOSGHGCQGLXEEO-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL CCN(CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000391771969 599767280 /nfs/dbraw/zinc/76/72/80/599767280.db2.gz QDYYSMBURYAGBU-UHFFFAOYSA-N -2 3 352.412 2.173 20 0 FEADHL CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000581189033 599769824 /nfs/dbraw/zinc/76/98/24/599769824.db2.gz RUAUUBCLFDTMET-UHFFFAOYSA-N -2 3 353.396 2.286 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(OC3CCCC3)c2)o1 ZINC000740177897 599770320 /nfs/dbraw/zinc/77/03/20/599770320.db2.gz ULOOEMVRWCMENT-UHFFFAOYSA-N -2 3 366.395 2.173 20 0 FEADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000740140675 600094855 /nfs/dbraw/zinc/09/48/55/600094855.db2.gz NBOXTOVLNRERQR-UHFFFAOYSA-N -3 3 357.290 2.162 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])cc2)cc1 ZINC000738655375 600102166 /nfs/dbraw/zinc/10/21/66/600102166.db2.gz SHJNADLPCMMTPQ-CVEARBPZSA-N -2 3 374.418 2.455 20 0 FEADHL C[C@]([N-]S(=O)(=O)c1ccc(Br)s1)(C(=O)[O-])C1CC1 ZINC000037373391 600239400 /nfs/dbraw/zinc/23/94/00/600239400.db2.gz NJPWGWZGEIBXCK-SNVBAGLBSA-N -2 3 354.247 2.042 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cccs1 ZINC000548196633 600344128 /nfs/dbraw/zinc/34/41/28/600344128.db2.gz FDGIMIHIOKTGRV-NSHDSACASA-N -2 3 351.327 2.270 20 0 FEADHL O=C([O-])CCCOc1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000739686873 600506675 /nfs/dbraw/zinc/50/66/75/600506675.db2.gz WOALFOVFTZOZMF-UHFFFAOYSA-N -2 3 372.377 2.004 20 0 FEADHL CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736887600 600630912 /nfs/dbraw/zinc/63/09/12/600630912.db2.gz SGZBBRWPXJGGFS-LURJTMIESA-N -2 3 354.197 2.363 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000555771573 600775919 /nfs/dbraw/zinc/77/59/19/600775919.db2.gz IEROYOMAUOZIBW-LLVKDONJSA-N -2 3 359.325 2.251 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)cc1C(=O)[O-] ZINC000833027073 601219964 /nfs/dbraw/zinc/21/99/64/601219964.db2.gz OFTWAHUTYOQQJF-UHFFFAOYSA-N -2 3 362.363 2.420 20 0 FEADHL C[C@@H](COc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827525267 601231591 /nfs/dbraw/zinc/23/15/91/601231591.db2.gz RPQLTNVXXWWOAT-JTQLQIEISA-N -2 3 371.361 2.409 20 0 FEADHL Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)n1 ZINC000321897829 601234230 /nfs/dbraw/zinc/23/42/30/601234230.db2.gz SZXIQGOCDJAXAR-ZETCQYMHSA-N -2 3 362.379 2.467 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cc(F)ccc2F)c1F ZINC000324909371 601234266 /nfs/dbraw/zinc/23/42/66/601234266.db2.gz JFXDZOLISCENGB-UHFFFAOYSA-N -2 3 363.288 2.420 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)sc1Br ZINC000126282265 601257464 /nfs/dbraw/zinc/25/74/64/601257464.db2.gz QRXULRAZWQSTMP-UHFFFAOYSA-N -2 3 368.274 2.495 20 0 FEADHL CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C12CCCCC2 ZINC000645983059 601268593 /nfs/dbraw/zinc/26/85/93/601268593.db2.gz MVYVTVDJUXJVBE-STQMWFEESA-N -2 3 357.428 2.384 20 0 FEADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccncc1 ZINC000827507640 601269315 /nfs/dbraw/zinc/26/93/15/601269315.db2.gz NHIZESRJABQYCY-VIFPVBQESA-N -2 3 356.350 2.140 20 0 FEADHL CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000830390445 601459679 /nfs/dbraw/zinc/45/96/79/601459679.db2.gz HJSRYHSZXBQLIV-UHFFFAOYSA-N -2 3 367.379 2.269 20 0 FEADHL Cc1nc(C)c(CCC(=O)Nc2nc(CCCC(=O)[O-])cs2)c(=O)[n-]1 ZINC000327263327 601746398 /nfs/dbraw/zinc/74/63/98/601746398.db2.gz XWBNPDIWZCMGME-UHFFFAOYSA-N -2 3 364.427 2.234 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCc2ccc(C(=O)[O-])cc2)c(F)cc1F ZINC000547868953 601831839 /nfs/dbraw/zinc/83/18/39/601831839.db2.gz BMERNNUMXCDYHE-UHFFFAOYSA-N -2 3 355.362 2.492 20 0 FEADHL O=C([O-])c1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000653550298 602059874 /nfs/dbraw/zinc/05/98/74/602059874.db2.gz NHECDLGEVQCYTC-MRXNPFEDSA-N -2 3 368.389 2.011 20 0 FEADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCC1 ZINC000232971813 602162713 /nfs/dbraw/zinc/16/27/13/602162713.db2.gz CGCUHCQSVBEOCV-UHFFFAOYSA-N -2 3 352.206 2.209 20 0 FEADHL Cc1nc(C)c(CCC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c(=O)[n-]1 ZINC000740218240 602241828 /nfs/dbraw/zinc/24/18/28/602241828.db2.gz PHJUNLHWLRZZMJ-UHFFFAOYSA-N -2 3 356.382 2.411 20 0 FEADHL O=C([O-])NCCOc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000740668957 602280838 /nfs/dbraw/zinc/28/08/38/602280838.db2.gz USYIZDPLVMUNPY-UHFFFAOYSA-N -2 3 367.361 2.427 20 0 FEADHL O=C([O-])N1CCC(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000740495728 602316553 /nfs/dbraw/zinc/31/65/53/602316553.db2.gz DJMUEOMTKLCYBG-UHFFFAOYSA-N -2 3 350.799 2.147 20 0 FEADHL O=C([O-])NC[C@H](NC(=O)c1nnc2ccccc2c1[O-])C1CCCCC1 ZINC000740609281 602595060 /nfs/dbraw/zinc/59/50/60/602595060.db2.gz AHXFPYPHHKPDLO-AWEZNQCLSA-N -2 3 358.398 2.282 20 0 FEADHL C[C@@](CNC(=O)[O-])([N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CC1 ZINC000738927150 602708015 /nfs/dbraw/zinc/70/80/15/602708015.db2.gz UVROIMNCAHDSID-ZDUSSCGKSA-N -2 3 350.799 2.194 20 0 FEADHL C[C@@](CNC(=O)[O-])([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C1CC1 ZINC000738927932 602879525 /nfs/dbraw/zinc/87/95/25/602879525.db2.gz WGUVKRFQXNQBQT-LBPRGKRZSA-N -2 3 368.242 2.103 20 0 FEADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3CCN(C(=O)[O-])C3)c2)n1 ZINC000739536951 603222335 /nfs/dbraw/zinc/22/23/35/603222335.db2.gz WYXBRRQKCPAUKF-LBPRGKRZSA-N -2 3 356.382 2.350 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2NC(=O)[O-])ccc1F ZINC000828579717 603799547 /nfs/dbraw/zinc/79/95/47/603799547.db2.gz PKLIJUZHOHPKFW-UHFFFAOYSA-N -2 3 367.358 2.076 20 0 FEADHL CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000826102825 604389563 /nfs/dbraw/zinc/38/95/63/604389563.db2.gz JIYUWYXNJYDJNK-OAHLLOKOSA-N -2 3 366.373 2.152 20 0 FEADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(O)cc2[O-])c(OC)c1 ZINC000833732460 604628590 /nfs/dbraw/zinc/62/85/90/604628590.db2.gz QUHYDYIBLQPHOS-AWEZNQCLSA-N -2 3 361.350 2.061 20 0 FEADHL C[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CCN(C(=O)[O-])CC1 ZINC000824696358 604665652 /nfs/dbraw/zinc/66/56/52/604665652.db2.gz RQUZBNBYWOXUFM-LLVKDONJSA-N -2 3 358.402 2.221 20 0 FEADHL C[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CCN(C(=O)[O-])CC1 ZINC000824696358 604665655 /nfs/dbraw/zinc/66/56/55/604665655.db2.gz RQUZBNBYWOXUFM-LLVKDONJSA-N -2 3 358.402 2.221 20 0 FEADHL C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCO1 ZINC000833594403 605414434 /nfs/dbraw/zinc/41/44/34/605414434.db2.gz CDYFEBRJCAGVOC-NXEZZACHSA-N -2 3 363.382 2.147 20 0 FEADHL O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000832356362 605540094 /nfs/dbraw/zinc/54/00/94/605540094.db2.gz CCWRZUCRMZNLRV-NWDGAFQWSA-N -2 3 358.402 2.412 20 0 FEADHL O=C([O-])Nc1cnc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)cn1 ZINC000834279916 606024144 /nfs/dbraw/zinc/02/41/44/606024144.db2.gz ZABSXDDCGFLMTO-UHFFFAOYSA-N -2 3 374.357 2.400 20 0 FEADHL O=C([O-])Nc1cnc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)cn1 ZINC000834279838 606024375 /nfs/dbraw/zinc/02/43/75/606024375.db2.gz ZFRVNLKKTGEWSD-UHFFFAOYSA-N -2 3 356.367 2.261 20 0 FEADHL O=C([O-])N[C@@H](CC(F)F)C(=O)Nc1cc(Br)ccc1[O-] ZINC000834134919 606082563 /nfs/dbraw/zinc/08/25/63/606082563.db2.gz LMECAHZWCSSFIQ-ZETCQYMHSA-N -2 3 353.119 2.385 20 0 FEADHL CC(C)c1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC000820197206 606210264 /nfs/dbraw/zinc/21/02/64/606210264.db2.gz HJBANXVDJMNCBY-UHFFFAOYSA-N -2 3 359.411 2.497 20 0 FEADHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000822034559 606337372 /nfs/dbraw/zinc/33/73/72/606337372.db2.gz GYVSNEJKPIVTJX-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cc(F)ccc1Cl ZINC000823582949 606338245 /nfs/dbraw/zinc/33/82/45/606338245.db2.gz DRSQLBHRKRRRQU-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL O=S(=O)([N-]c1cccc2ccncc21)c1ccccc1-c1nnn[n-]1 ZINC000823589201 606712920 /nfs/dbraw/zinc/71/29/20/606712920.db2.gz SKAJVFRLWFPEQW-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=S(=O)([N-]c1cccc2ccncc21)c1ccccc1-c1nn[n-]n1 ZINC000823589201 606712922 /nfs/dbraw/zinc/71/29/22/606712922.db2.gz SKAJVFRLWFPEQW-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000822258751 606765449 /nfs/dbraw/zinc/76/54/49/606765449.db2.gz BOZGMRPBSWOLMY-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000822258751 606765451 /nfs/dbraw/zinc/76/54/51/606765451.db2.gz BOZGMRPBSWOLMY-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1-c1nnn[n-]1 ZINC000826304011 607817114 /nfs/dbraw/zinc/81/71/14/607817114.db2.gz QYYRLXCSWYHWSB-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1-c1nn[n-]n1 ZINC000826304011 607817115 /nfs/dbraw/zinc/81/71/15/607817115.db2.gz QYYRLXCSWYHWSB-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825782343 607982730 /nfs/dbraw/zinc/98/27/30/607982730.db2.gz DKIKHVFUYSYNJB-UHFFFAOYSA-N -2 3 368.806 2.180 20 0 FEADHL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825782343 607982731 /nfs/dbraw/zinc/98/27/31/607982731.db2.gz DKIKHVFUYSYNJB-UHFFFAOYSA-N -2 3 368.806 2.180 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc2n[nH]cc21 ZINC000826303891 608267609 /nfs/dbraw/zinc/26/76/09/608267609.db2.gz LBTPGUKNFINSMQ-UHFFFAOYSA-N -2 3 369.410 2.161 20 0 FEADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccccc1-c1ccccc1 ZINC000826492724 608307987 /nfs/dbraw/zinc/30/79/87/608307987.db2.gz ZYXXPNNXPWUPLJ-UHFFFAOYSA-N -2 3 367.394 2.058 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CCc2ccc(F)cc2)C(=O)[O-])s1 ZINC000560075996 674566927 /nfs/dbraw/zinc/56/69/27/674566927.db2.gz DREOWLUKXRFNAR-LBPRGKRZSA-N -2 3 372.443 2.209 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CC2)cc1C(=O)[O-] ZINC000563619637 674918106 /nfs/dbraw/zinc/91/81/06/674918106.db2.gz BKWCBVJFRXQEKE-UHFFFAOYSA-N -2 3 353.371 2.435 20 0 FEADHL Cc1c(Cl)cc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)cc1[N+](=O)[O-] ZINC000029044804 670094792 /nfs/dbraw/zinc/09/47/92/670094792.db2.gz MXIPYIWTNLWCLT-UHFFFAOYSA-N -2 3 361.807 2.056 20 0 FEADHL CSc1ccc(S(=O)(=O)[N-][N-]C(=O)NCCc2cccs2)cc1 ZINC000064477336 670424728 /nfs/dbraw/zinc/42/47/28/670424728.db2.gz YMOCWKMNUDXDGC-UHFFFAOYSA-N -2 3 371.509 2.205 20 0 FEADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000085326207 670679450 /nfs/dbraw/zinc/67/94/50/670679450.db2.gz WSLBKWLWDDPWHA-RQJHMYQMSA-N -2 3 354.247 2.042 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1)c1ccc(C)o1 ZINC000571332841 670857621 /nfs/dbraw/zinc/85/76/21/670857621.db2.gz YDDSZNHRSAGXQP-CQSZACIVSA-N -2 3 371.386 2.400 20 0 FEADHL COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000571519114 670885318 /nfs/dbraw/zinc/88/53/18/670885318.db2.gz IUQVKUBDDJPTDN-NSHDSACASA-N -2 3 353.396 2.144 20 0 FEADHL CC(C)[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000572875609 671055055 /nfs/dbraw/zinc/05/50/55/671055055.db2.gz QDJYACAAFYRFNS-LBPRGKRZSA-N -2 3 354.350 2.268 20 0 FEADHL CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000575056697 671295918 /nfs/dbraw/zinc/29/59/18/671295918.db2.gz MYUWUKJOPPFTBU-IUCAKERBSA-N -2 3 350.487 2.184 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)o1 ZINC000566173200 675189562 /nfs/dbraw/zinc/18/95/62/675189562.db2.gz HXRGDJVZIJFHRY-BXUZGUMPSA-N -2 3 371.798 2.440 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCCCOc1ccc(F)cc1 ZINC000576582630 671379005 /nfs/dbraw/zinc/37/90/05/671379005.db2.gz WSGYVTMHOHEBLS-UHFFFAOYSA-N -2 3 374.415 2.118 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000582418086 672000478 /nfs/dbraw/zinc/00/04/78/672000478.db2.gz DFYRCVINCHIIHG-BBRMVZONSA-N -2 3 365.407 2.342 20 0 FEADHL COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1F ZINC000583116323 672064718 /nfs/dbraw/zinc/06/47/18/672064718.db2.gz HANDCZULGRPRJZ-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)[C@H](C)C(=O)[O-] ZINC000584157139 672161003 /nfs/dbraw/zinc/16/10/03/672161003.db2.gz PDAZICODUYNVKK-BQBZGAKWSA-N -2 3 359.297 2.112 20 0 FEADHL CN(C)C(=O)[N-][N-]S(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000186974035 672559815 /nfs/dbraw/zinc/55/98/15/672559815.db2.gz YIGGXJXVWZAGCK-UHFFFAOYSA-N -2 3 372.244 2.067 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][N-]C(=O)NCc2ccccc2)c1 ZINC000189122593 672607892 /nfs/dbraw/zinc/60/78/92/672607892.db2.gz FNGDTQPFEGDSAE-UHFFFAOYSA-N -2 3 353.831 2.341 20 0 FEADHL N#Cc1ccc(C(=O)N[N-]C(=O)c2ccc(Br)s2)cc1[O-] ZINC000189855282 672625676 /nfs/dbraw/zinc/62/56/76/672625676.db2.gz DNBXSARFVIMBMN-UHFFFAOYSA-N -2 3 366.196 2.163 20 0 FEADHL C[C@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000311603912 673027425 /nfs/dbraw/zinc/02/74/25/673027425.db2.gz BWSVSLLWUISECI-SSDOTTSWSA-N -2 3 370.652 2.492 20 0 FEADHL CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC000526873103 673352246 /nfs/dbraw/zinc/35/22/46/673352246.db2.gz VGVSXCPHTSUQBD-UHFFFAOYSA-N -2 3 364.408 2.021 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2)c1 ZINC000539398659 673488478 /nfs/dbraw/zinc/48/84/78/673488478.db2.gz IEQNVHDWZDBPRK-UHFFFAOYSA-N -2 3 350.396 2.468 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C)n3)cc2)c1 ZINC000540497495 673543439 /nfs/dbraw/zinc/54/34/39/673543439.db2.gz RYCPDMPAUFHBGY-UHFFFAOYSA-N -2 3 360.395 2.295 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Cc1ccccn1 ZINC000547557230 673863150 /nfs/dbraw/zinc/86/31/50/673863150.db2.gz KTYHVBYLURBOSJ-JTQLQIEISA-N -2 3 372.805 2.096 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])s1 ZINC000547617106 673875638 /nfs/dbraw/zinc/87/56/38/673875638.db2.gz HTBDWQWCECHAET-ZJUUUORDSA-N -2 3 363.457 2.093 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@H](Cc2cc(C)cc(C)c2)C(=O)[O-])s1 ZINC000547872392 673895324 /nfs/dbraw/zinc/89/53/24/673895324.db2.gz AQRLUYAMWFRKEI-CYBMUJFWSA-N -2 3 354.453 2.043 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)s1 ZINC000547939047 673907566 /nfs/dbraw/zinc/90/75/66/673907566.db2.gz VADDEAADDKMCTD-SECBINFHSA-N -2 3 363.457 2.093 20 0 FEADHL Cc1nc(C[N-]S(=O)(=O)c2cc(C)c(F)cc2F)sc1C(=O)[O-] ZINC000548208520 673934777 /nfs/dbraw/zinc/93/47/77/673934777.db2.gz LMMKIBYVEFCXML-UHFFFAOYSA-N -2 3 362.379 2.215 20 0 FEADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000548260737 673943872 /nfs/dbraw/zinc/94/38/72/673943872.db2.gz PFPZHODTAVFCHL-SECBINFHSA-N -2 3 357.325 2.480 20 0 FEADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000548264855 673945023 /nfs/dbraw/zinc/94/50/23/673945023.db2.gz QEQSDSYDFWHPAF-ONGXEEELSA-N -2 3 370.254 2.194 20 0 FEADHL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)N1CCCC[C@H]1C ZINC000548265590 673945238 /nfs/dbraw/zinc/94/52/38/673945238.db2.gz DSPZXJQJHAEAKA-SNVBAGLBSA-N -2 3 360.407 2.454 20 0 FEADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000819089424 675259629 /nfs/dbraw/zinc/25/96/29/675259629.db2.gz POTOBSWDEIDMAO-XCBNKYQSSA-N -2 3 355.243 2.412 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000567809112 675325326 /nfs/dbraw/zinc/32/53/26/675325326.db2.gz IRFLSEUVBCOFML-YPMHNXCESA-N -2 3 368.480 2.316 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c[n-]1 ZINC000618906738 676356219 /nfs/dbraw/zinc/35/62/19/676356219.db2.gz VPHJCZRFYVJHDL-UHFFFAOYSA-N -2 3 363.317 2.406 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccn(C3CCSCC3)n2)c1 ZINC000634795168 677083038 /nfs/dbraw/zinc/08/30/38/677083038.db2.gz KOULNCWITRORLU-UHFFFAOYSA-N -2 3 369.468 2.466 20 0 FEADHL Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000645956334 677275833 /nfs/dbraw/zinc/27/58/33/677275833.db2.gz QUHTZNOTOMFRIT-NSHDSACASA-N -2 3 370.452 2.204 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2CSc3ccccc3O2)cc1C(=O)[O-] ZINC000646056504 677278163 /nfs/dbraw/zinc/27/81/63/677278163.db2.gz HCUIMEXYCDJCAD-JTQLQIEISA-N -2 3 369.420 2.118 20 0 FEADHL CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3cccc([O-])c3F)cc2C1 ZINC000656625646 677790795 /nfs/dbraw/zinc/79/07/95/677790795.db2.gz CTLKDKSARROPGC-UHFFFAOYSA-N -2 3 370.427 2.298 20 0 FEADHL CC[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000656716728 677812101 /nfs/dbraw/zinc/81/21/01/677812101.db2.gz HSMGEUOUPKQRTM-LLVKDONJSA-N -2 3 358.416 2.280 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCCOc2ccc(F)cc2)oc1C(=O)[O-] ZINC000663423481 678735178 /nfs/dbraw/zinc/73/51/78/678735178.db2.gz WXSQPAHVOCJELA-UHFFFAOYSA-N -2 3 357.359 2.173 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(F)cc2)oc1C(=O)[O-] ZINC000663423979 678735841 /nfs/dbraw/zinc/73/58/41/678735841.db2.gz LGDLBUHKRUQTOH-SNVBAGLBSA-N -2 3 357.359 2.171 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1C(=O)[O-] ZINC000663431675 678738944 /nfs/dbraw/zinc/73/89/44/678738944.db2.gz MUOFXBXDLBNDLW-VHDGCEQUSA-N -2 3 351.355 2.042 20 0 FEADHL O=C([O-])[C@@H](CCC[N-]S(=O)(=O)c1c[nH]nc1Cl)Cc1ccccc1 ZINC000837293688 680583032 /nfs/dbraw/zinc/58/30/32/680583032.db2.gz OFAWACXPYSTXJB-LBPRGKRZSA-N -2 3 371.846 2.065 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)CC1CC1 ZINC000844820617 681085424 /nfs/dbraw/zinc/08/54/24/681085424.db2.gz DLACAFOBYWJVNS-QMMMGPOBSA-N -2 3 353.227 2.168 20 0 FEADHL O=C([O-])CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000776637318 681421017 /nfs/dbraw/zinc/42/10/17/681421017.db2.gz UXRLKVICXIPAIZ-CYBMUJFWSA-N -2 3 368.842 2.489 20 0 FEADHL Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)OCO2 ZINC000781114723 681902747 /nfs/dbraw/zinc/90/27/47/681902747.db2.gz UXNIBSMTSALMEX-UHFFFAOYSA-N -2 3 353.327 2.362 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(C)cc1F ZINC000793348951 682884000 /nfs/dbraw/zinc/88/40/00/682884000.db2.gz ICCAMQYYUMQHOB-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL C[C@H]1CCN(c2cc(Cl)[n-]c(=O)n2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000858546723 682979471 /nfs/dbraw/zinc/97/94/71/682979471.db2.gz ZDBUDPOQCSGKPP-BYULHYEWSA-N -2 3 352.744 2.117 20 0 FEADHL C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000871950225 684892602 /nfs/dbraw/zinc/89/26/02/684892602.db2.gz ZEBOXOHGYGIDQY-XVKPBYJWSA-N -2 3 368.238 2.395 20 0 FEADHL CC[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@@]1(F)C(=O)[O-] ZINC000910552285 685075220 /nfs/dbraw/zinc/07/52/20/685075220.db2.gz FEZZEGVEFBMSGR-OTYXRUKQSA-N -2 3 360.179 2.430 20 0 FEADHL O=C([O-])CC1CC([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000899930896 690442551 /nfs/dbraw/zinc/44/25/51/690442551.db2.gz HEOIMKIHFWJEAN-UHFFFAOYSA-N -2 3 366.208 2.120 20 0 FEADHL CO[C@H](CS(=O)(=O)[N-]c1n[n-]c(C(F)F)n1)c1ccc(F)cc1 ZINC000903150891 690856591 /nfs/dbraw/zinc/85/65/91/690856591.db2.gz ZIORZKBCCDMMFG-SECBINFHSA-N -2 3 350.322 2.011 20 0 FEADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000230275958 548760306 /nfs/dbraw/zinc/76/03/06/548760306.db2.gz VJDWELYBLBWGDS-LLVKDONJSA-N -2 3 368.224 2.366 20 0 FEADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000037574064 539997165 /nfs/dbraw/zinc/99/71/65/539997165.db2.gz DKHAKAAQUJQUFT-SNVBAGLBSA-N -2 3 368.224 2.366 20 0 FEADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000042008560 540045232 /nfs/dbraw/zinc/04/52/32/540045232.db2.gz HHOBWTSGWSUKAX-UHFFFAOYSA-N -2 3 351.380 2.211 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1C(=O)[O-] ZINC000042791322 540078969 /nfs/dbraw/zinc/07/89/69/540078969.db2.gz QPCRRFOPJKFQTE-UHFFFAOYSA-N -2 3 373.390 2.380 20 0 FEADHL C[C@]1(c2ccc(NC(=O)c3csc(=NC4CC4)[n-]3)cc2)NC(=O)[N-]C1=O ZINC000531766382 540116173 /nfs/dbraw/zinc/11/61/73/540116173.db2.gz HCAUFXWWXCRGJH-QGZVFWFLSA-N -2 3 371.422 2.024 20 0 FEADHL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000068216272 541564309 /nfs/dbraw/zinc/56/43/09/541564309.db2.gz RAECFENPJDLEIP-UHFFFAOYSA-N -2 3 366.782 2.033 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])sc1Br ZINC000094540979 542955533 /nfs/dbraw/zinc/95/55/33/542955533.db2.gz XGWGEDQAQLCEAN-ZETCQYMHSA-N -2 3 356.263 2.351 20 0 FEADHL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1ccccc1F ZINC000106793491 543247272 /nfs/dbraw/zinc/24/72/72/543247272.db2.gz QEYMZBNNLWAUHT-OAHLLOKOSA-N -2 3 362.382 2.281 20 0 FEADHL O=C(CC[N-]S(=O)(=O)c1ccccc1F)Nc1ccc([O-])c(Cl)c1 ZINC000111668207 543411218 /nfs/dbraw/zinc/41/12/18/543411218.db2.gz FLKMQCAUCNHXGR-UHFFFAOYSA-N -2 3 372.805 2.492 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1cccc2c1N=S=N2 ZINC000123635733 543774370 /nfs/dbraw/zinc/77/43/70/543774370.db2.gz JZGKNRWCXSHSRL-UHFFFAOYSA-N -2 3 359.396 2.394 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cccc2c1N=S=N2 ZINC000123635733 543774372 /nfs/dbraw/zinc/77/43/72/543774372.db2.gz JZGKNRWCXSHSRL-UHFFFAOYSA-N -2 3 359.396 2.394 20 0 FEADHL CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000006458355 324352644 /nfs/dbraw/zinc/35/26/44/324352644.db2.gz MKJQBUMAJFWABJ-SECBINFHSA-N -2 3 357.375 2.190 20 0 FEADHL O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(Br)ccc1[O-] ZINC000085234678 325249014 /nfs/dbraw/zinc/24/90/14/325249014.db2.gz JEMPRURRLMCKKT-SNVBAGLBSA-N -2 3 350.234 2.466 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCCCC(=O)[O-])sc1Br ZINC000094540976 325454186 /nfs/dbraw/zinc/45/41/86/325454186.db2.gz XUVYMVBCDHMIQK-UHFFFAOYSA-N -2 3 356.263 2.352 20 0 FEADHL CSC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000169158462 327088175 /nfs/dbraw/zinc/08/81/75/327088175.db2.gz QEOGDTOOVKGZBA-YFKPBYRVSA-N -2 3 374.303 2.239 20 0 FEADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000263207254 328925333 /nfs/dbraw/zinc/92/53/33/328925333.db2.gz YKTUDSKKUQQXFA-MRVPVSSYSA-N -2 3 357.762 2.473 20 0 FEADHL CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)CC(C)(C)C(=O)[O-])ccc1F ZINC000265905170 329171471 /nfs/dbraw/zinc/17/14/71/329171471.db2.gz WEMKQTRLSWRNMK-UHFFFAOYSA-N -2 3 374.434 2.342 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])s1 ZINC000275036023 330004152 /nfs/dbraw/zinc/00/41/52/330004152.db2.gz QOICZEVVSFBEBA-ZCFIWIBFSA-N -2 3 356.263 2.351 20 0 FEADHL C[C@](O)(CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000275111728 330011616 /nfs/dbraw/zinc/01/16/16/330011616.db2.gz WJVSZCQHXGGVEM-HNNXBMFYSA-N -2 3 355.437 2.022 20 0 FEADHL Cc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c1 ZINC000275160993 330016975 /nfs/dbraw/zinc/01/69/75/330016975.db2.gz ALJNREKFCAZQGR-QMMMGPOBSA-N -2 3 372.187 2.144 20 0 FEADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000479464361 561190134 /nfs/dbraw/zinc/19/01/34/561190134.db2.gz CWAGDZNVQUOLEM-UHFFFAOYSA-N -2 3 366.786 2.419 20 0 FEADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000479464361 561190135 /nfs/dbraw/zinc/19/01/35/561190135.db2.gz CWAGDZNVQUOLEM-UHFFFAOYSA-N -2 3 366.786 2.419 20 0 FEADHL Cc1cc2[nH]ncc2cc1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000481295166 561229974 /nfs/dbraw/zinc/22/99/74/561229974.db2.gz NJGSRKOHHVZJMI-UHFFFAOYSA-N -2 3 350.338 2.181 20 0 FEADHL O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1cccc(Cl)c1[O-] ZINC000179719926 547003446 /nfs/dbraw/zinc/00/34/46/547003446.db2.gz AKHGMIIVPQCZMI-UHFFFAOYSA-N -2 3 359.769 2.078 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@H](C)N2CCC(C)CC2)c1 ZINC000184967295 547908990 /nfs/dbraw/zinc/90/89/90/547908990.db2.gz KZGWUBKKJKLCHZ-ZDUSSCGKSA-N -2 3 372.462 2.231 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000486194735 561340667 /nfs/dbraw/zinc/34/06/67/561340667.db2.gz SDKXTYIIFUVASW-IBGZPJMESA-N -2 3 367.361 2.000 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1C(F)(F)F ZINC000269282732 550176018 /nfs/dbraw/zinc/17/60/18/550176018.db2.gz GTHJMLCSXYNGOR-VIFPVBQESA-N -2 3 353.318 2.324 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)[C@H]1CCOC1 ZINC000281002958 551053725 /nfs/dbraw/zinc/05/37/25/551053725.db2.gz LYFHDCNDEOEOFG-SFYZADRCSA-N -2 3 368.238 2.395 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCC1 ZINC000282787893 551270235 /nfs/dbraw/zinc/27/02/35/551270235.db2.gz JBAWWLVUCWJVFX-UHFFFAOYSA-N -2 3 368.636 2.388 20 0 FEADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)C(F)(F)F ZINC000285104877 551705386 /nfs/dbraw/zinc/70/53/86/551705386.db2.gz MJOQSIIGIAKCIR-SSDOTTSWSA-N -2 3 361.288 2.286 20 0 FEADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000285141842 551710418 /nfs/dbraw/zinc/71/04/18/551710418.db2.gz OGPQZKARTYQAMO-ZETCQYMHSA-N -2 3 354.247 2.042 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc3n[nH]cc3c(C)c2)ccc1[O-] ZINC000499261293 561547032 /nfs/dbraw/zinc/54/70/32/561547032.db2.gz CJMYEHQDQFUISK-UHFFFAOYSA-N -2 3 360.395 2.336 20 0 FEADHL CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000290616765 552507386 /nfs/dbraw/zinc/50/73/86/552507386.db2.gz JYPJBKNAPFGOIF-RNFRBKRXSA-N -2 3 356.227 2.393 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])CCC1 ZINC000290985430 552572300 /nfs/dbraw/zinc/57/23/00/552572300.db2.gz QSQLNLNOEHWBMH-UHFFFAOYSA-N -2 3 369.439 2.179 20 0 FEADHL COc1cc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c(Cl)cc1C(=O)[O-] ZINC000291902513 552673291 /nfs/dbraw/zinc/67/32/91/552673291.db2.gz LBPDXMOYKNWLEJ-UHFFFAOYSA-N -2 3 369.773 2.370 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)[C@H]1OCCc2sccc21 ZINC000291973134 552680233 /nfs/dbraw/zinc/68/02/33/552680233.db2.gz TYMAEWCFKZCJGJ-ISVAXAHUSA-N -2 3 373.477 2.489 20 0 FEADHL COCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000292008866 552684168 /nfs/dbraw/zinc/68/41/68/552684168.db2.gz YLCUOGXOBGLBIZ-UHFFFAOYSA-N -2 3 353.799 2.128 20 0 FEADHL COC(=O)c1c(C)[nH]c(C([O-])=C(C)S(=O)(=O)c2ccc([O-])cc2)c1C ZINC000295825543 553064265 /nfs/dbraw/zinc/06/42/65/553064265.db2.gz GUSSGCJLWXSZSD-LLVKDONJSA-N -2 3 365.407 2.169 20 0 FEADHL COC(=O)c1c(C)[nH]c(C([O-])=C(C)S(=O)(=O)c2cccc([O-])c2)c1C ZINC000296047716 553095525 /nfs/dbraw/zinc/09/55/25/553095525.db2.gz WFTSVOTVVIUUJV-NSHDSACASA-N -2 3 365.407 2.169 20 0 FEADHL Cc1nc(C=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504733719 561661716 /nfs/dbraw/zinc/66/17/16/561661716.db2.gz VNCYJAJNGWSULV-ZADCQDASSA-N -3 3 358.350 2.140 20 0 FEADHL Cc1cc(C[N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)on1 ZINC000326347884 553780087 /nfs/dbraw/zinc/78/00/87/553780087.db2.gz NLMMWLSGPLBSIY-UHFFFAOYSA-N -2 3 352.412 2.014 20 0 FEADHL COCCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1 ZINC000327185722 553786791 /nfs/dbraw/zinc/78/67/91/553786791.db2.gz KOARIHONBCRIHV-UHFFFAOYSA-N -2 3 365.407 2.140 20 0 FEADHL CNC(=O)Nc1cc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])ccc1F ZINC000507617905 561735457 /nfs/dbraw/zinc/73/54/57/561735457.db2.gz AOCZGSKBGHVLII-UHFFFAOYSA-N -2 3 369.374 2.092 20 0 FEADHL O=C(CCCc1ccc([O-])c(F)c1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000507853585 561743276 /nfs/dbraw/zinc/74/32/76/561743276.db2.gz ACNGKFICXOAYME-UHFFFAOYSA-N -2 3 357.345 2.174 20 0 FEADHL COC(=O)[C@@H](CS(=O)(=O)[N-]c1cc(OC)ccc1[O-])c1ccccc1 ZINC000507890262 561744943 /nfs/dbraw/zinc/74/49/43/561744943.db2.gz QPFJYJQHJCHXAB-AWEZNQCLSA-N -2 3 365.407 2.099 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)ccc1C(=O)[O-] ZINC000507995768 561748410 /nfs/dbraw/zinc/74/84/10/561748410.db2.gz XRWIELSHRPTVJX-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000509537999 561804428 /nfs/dbraw/zinc/80/44/28/561804428.db2.gz FNBZHGYGFNRXST-UHFFFAOYSA-N -2 3 357.775 2.126 20 0 FEADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)[N-]OCc1cccnc1 ZINC000366497428 555860769 /nfs/dbraw/zinc/86/07/69/555860769.db2.gz RLBRKVAUGROXRM-UHFFFAOYSA-N -2 3 365.393 2.128 20 0 FEADHL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000377136399 558273993 /nfs/dbraw/zinc/27/39/93/558273993.db2.gz NZDGUJSIFBWOQA-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000377136399 558273996 /nfs/dbraw/zinc/27/39/96/558273996.db2.gz NZDGUJSIFBWOQA-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)Nc1cccc(Cl)c1[O-] ZINC000522311859 562196941 /nfs/dbraw/zinc/19/69/41/562196941.db2.gz OLCVNETYDSRNQL-UHFFFAOYSA-N -2 3 371.780 2.256 20 0 FEADHL O=C(NC1CCN(C(=O)c2cccc([O-])c2)CC1)c1cc(F)ccc1[O-] ZINC000378368499 558540719 /nfs/dbraw/zinc/54/07/19/558540719.db2.gz VIWQIZYHZUNCLN-UHFFFAOYSA-N -2 3 358.369 2.272 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000392259056 558616892 /nfs/dbraw/zinc/61/68/92/558616892.db2.gz PLAIONGZRGKHPK-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000405356256 558632596 /nfs/dbraw/zinc/63/25/96/558632596.db2.gz RDEIRDYFJGPTDO-VIFPVBQESA-N -2 3 362.791 2.027 20 0 FEADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000525312462 562245895 /nfs/dbraw/zinc/24/58/95/562245895.db2.gz HGVIMBCDVPKSTH-QMMMGPOBSA-N -2 3 374.622 2.050 20 0 FEADHL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000525687721 562252200 /nfs/dbraw/zinc/25/22/00/562252200.db2.gz OYUUNGZVOGADOS-SNVBAGLBSA-N -2 3 360.407 2.311 20 0 FEADHL CO[C@@H](C)CS(=O)(=O)[N-]c1c(C)ccc(Br)c1C(=O)[O-] ZINC000416949328 559339778 /nfs/dbraw/zinc/33/97/78/559339778.db2.gz HBVUPYFKPUUQSX-QMMMGPOBSA-N -2 3 366.233 2.232 20 0 FEADHL O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)[N-]c1ccccc1[O-] ZINC000431150879 559834992 /nfs/dbraw/zinc/83/49/92/559834992.db2.gz PSDSBVSMCXJXAO-UHFFFAOYSA-N -2 3 374.418 2.210 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C(=O)N(C)C ZINC000433525069 559883503 /nfs/dbraw/zinc/88/35/03/559883503.db2.gz MJPOYNIUNNDLLN-UHFFFAOYSA-N -2 3 362.407 2.196 20 0 FEADHL COC(=O)c1cccc(F)c1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000436184442 559936974 /nfs/dbraw/zinc/93/69/74/559936974.db2.gz KTQKCWNPESVHEQ-UHFFFAOYSA-N -2 3 355.343 2.127 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000436479456 559942550 /nfs/dbraw/zinc/94/25/50/559942550.db2.gz UJLVJVONUJARRM-UHFFFAOYSA-N -2 3 350.396 2.046 20 0 FEADHL COC(=O)c1ccc([O-])c(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC000436503551 559943418 /nfs/dbraw/zinc/94/34/18/559943418.db2.gz HCTFDRRUADZOPE-UHFFFAOYSA-N -2 3 365.345 2.385 20 0 FEADHL COC(=O)c1ccc([O-])c(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1 ZINC000436503551 559943419 /nfs/dbraw/zinc/94/34/19/559943419.db2.gz HCTFDRRUADZOPE-UHFFFAOYSA-N -2 3 365.345 2.385 20 0 FEADHL C[C@@]1(c2ccc(CNC(=O)c3ccc([O-])c(Cl)c3)cc2)NC(=O)[N-]C1=O ZINC000436699452 559949162 /nfs/dbraw/zinc/94/91/62/559949162.db2.gz RDTOEUUJBRLPKG-SFHVURJKSA-N -2 3 373.796 2.030 20 0 FEADHL COc1cc(NC(=O)c2cccc(C)c2[O-])ccc1[N-]S(C)(=O)=O ZINC000436757577 559950923 /nfs/dbraw/zinc/95/09/23/559950923.db2.gz JBNMMUXIIOQAAK-UHFFFAOYSA-N -2 3 350.396 2.333 20 0 FEADHL C[C@H](CNC(=O)c1ccc([O-])cc1F)N(C)C(=O)c1ccc([O-])cc1F ZINC000436978110 559958324 /nfs/dbraw/zinc/95/83/24/559958324.db2.gz GLPCPEHBZQEQND-SNVBAGLBSA-N -2 3 364.348 2.267 20 0 FEADHL C[C@@H](CNC(=O)c1ccc([O-])cc1F)N(C)C(=O)c1ccc([O-])cc1F ZINC000436978106 559958420 /nfs/dbraw/zinc/95/84/20/559958420.db2.gz GLPCPEHBZQEQND-JTQLQIEISA-N -2 3 364.348 2.267 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c1 ZINC000436999869 559959257 /nfs/dbraw/zinc/95/92/57/559959257.db2.gz SEDIWLUZNHYZED-UHFFFAOYSA-N -3 3 371.374 2.348 20 0 FEADHL CCCc1nc(=NCC[N-]S(=O)(=O)c2ccc(Cl)s2)s[n-]1 ZINC000461972787 560790339 /nfs/dbraw/zinc/79/03/39/560790339.db2.gz KUQYHPMFBKFGBC-UHFFFAOYSA-N -2 3 366.921 2.018 20 0 FEADHL Cc1cc(C(=O)N=c2[n-]nc(Cc3cccc(Cl)c3)s2)[n-]c(=O)n1 ZINC000464351498 560839380 /nfs/dbraw/zinc/83/93/80/560839380.db2.gz LCYXVQWRDZHKBH-UHFFFAOYSA-N -2 3 361.814 2.839 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cn2cncn2)cc1 ZINC000466325569 560884169 /nfs/dbraw/zinc/88/41/69/560884169.db2.gz MMDAPLCJBBVUNC-UHFFFAOYSA-N -2 3 372.406 2.134 20 0 FEADHL O=C([O-])c1ccc(OC(F)(F)F)c([N-]S(=O)(=O)N2CCCCC2)c1 ZINC000471971975 561015413 /nfs/dbraw/zinc/01/54/13/561015413.db2.gz YBKSMDSVQUYFSO-UHFFFAOYSA-N -2 3 368.333 2.426 20 0 FEADHL Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000473434498 561050023 /nfs/dbraw/zinc/05/00/23/561050023.db2.gz ZVPOTZWLBKEDFW-UHFFFAOYSA-N -3 3 373.390 2.385 20 0 FEADHL CS(=O)(=O)[N-]c1cncc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000474435312 561074010 /nfs/dbraw/zinc/07/40/10/561074010.db2.gz MVHVLNSGWBXXPD-UHFFFAOYSA-N -2 3 359.766 2.204 20 0 FEADHL COC(C)(C)CS(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-] ZINC000530142852 562399755 /nfs/dbraw/zinc/39/97/55/562399755.db2.gz FRVKXXYJJGEPCX-UHFFFAOYSA-N -2 3 366.233 2.314 20 0 FEADHL CO[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)CC(=O)[O-] ZINC000530435428 562411183 /nfs/dbraw/zinc/41/11/83/562411183.db2.gz DDWUMIVRWGMVQK-QMMMGPOBSA-N -2 3 356.227 2.070 20 0 FEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C(=O)[O-] ZINC000534145518 562526511 /nfs/dbraw/zinc/52/65/11/562526511.db2.gz UTAYWQVPMCKUKY-UHFFFAOYSA-N -3 3 371.317 2.470 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1O ZINC000737362962 598843754 /nfs/dbraw/zinc/84/37/54/598843754.db2.gz ZQVQHECWKOUTBR-UHFFFAOYSA-N -2 3 363.374 2.129 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1O ZINC000737362962 598843755 /nfs/dbraw/zinc/84/37/55/598843755.db2.gz ZQVQHECWKOUTBR-UHFFFAOYSA-N -2 3 363.374 2.129 20 0 FEADHL Cc1nc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)sc1C ZINC000737301379 598969333 /nfs/dbraw/zinc/96/93/33/598969333.db2.gz LBTJAQUUBYWFCA-UHFFFAOYSA-N -2 3 350.429 2.049 20 0 FEADHL Cc1nc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)sc1C ZINC000737301379 598969335 /nfs/dbraw/zinc/96/93/35/598969335.db2.gz LBTJAQUUBYWFCA-UHFFFAOYSA-N -2 3 350.429 2.049 20 0 FEADHL O=C([O-])C1(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)Cc2ccccc2C1 ZINC000737806378 598369736 /nfs/dbraw/zinc/36/97/36/598369736.db2.gz GFOQBBZTLMXQME-UHFFFAOYSA-N -2 3 363.377 2.065 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000738342748 598594602 /nfs/dbraw/zinc/59/46/02/598594602.db2.gz PDDPPOHBFSAHGS-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)ccc1F ZINC000738342748 598594603 /nfs/dbraw/zinc/59/46/03/598594603.db2.gz PDDPPOHBFSAHGS-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821049262 599619893 /nfs/dbraw/zinc/61/98/93/599619893.db2.gz JQUKPCMPKAGFTH-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821049262 599619894 /nfs/dbraw/zinc/61/98/94/599619894.db2.gz JQUKPCMPKAGFTH-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821049261 599619896 /nfs/dbraw/zinc/61/98/96/599619896.db2.gz JQUKPCMPKAGFTH-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821049261 599619897 /nfs/dbraw/zinc/61/98/97/599619897.db2.gz JQUKPCMPKAGFTH-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL Cc1cccc(C[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)C(=O)[O-])c1 ZINC000548222416 600096565 /nfs/dbraw/zinc/09/65/65/600096565.db2.gz MNZINXQYMBIJGU-CYBMUJFWSA-N -2 3 369.389 2.495 20 0 FEADHL O=C([O-])C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(F)cc1 ZINC000738561548 600166281 /nfs/dbraw/zinc/16/62/81/600166281.db2.gz LMWFIUGLNJLNFV-AWEZNQCLSA-N -2 3 355.325 2.420 20 0 FEADHL CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000582418420 600348754 /nfs/dbraw/zinc/34/87/54/600348754.db2.gz XWBZQMYGUHSAKJ-UHFFFAOYSA-N -2 3 353.396 2.459 20 0 FEADHL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000736228184 600931753 /nfs/dbraw/zinc/93/17/53/600931753.db2.gz OMQXCKRBLCEPLX-UHFFFAOYSA-N -2 3 352.346 2.185 20 0 FEADHL O=C([O-])COc1cccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000738619732 601047519 /nfs/dbraw/zinc/04/75/19/601047519.db2.gz POESXZVZNFVKDW-UHFFFAOYSA-N -2 3 369.370 2.110 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C2(C(=O)OC(C)(C)C)CCCC2)cc1C(=O)[O-] ZINC000581546505 601222073 /nfs/dbraw/zinc/22/20/73/601222073.db2.gz SCLJSBRVPMTSRV-UHFFFAOYSA-N -2 3 373.427 2.219 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2)cc1C(=O)[O-] ZINC000833027092 601222466 /nfs/dbraw/zinc/22/24/66/601222466.db2.gz BIUQGRCMHFENDD-CYBMUJFWSA-N -2 3 364.423 2.234 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2nc(C(C)(C)C)no2)cc1C(=O)[O-] ZINC000581882383 601223749 /nfs/dbraw/zinc/22/37/49/601223749.db2.gz RKJBHBUOICMLDK-SSDOTTSWSA-N -2 3 357.388 2.006 20 0 FEADHL CO[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000831518682 601239764 /nfs/dbraw/zinc/23/97/64/601239764.db2.gz DMXLSIVZCYYNBN-GFCCVEGCSA-N -2 3 371.361 2.329 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)o1 ZINC000580427771 601269058 /nfs/dbraw/zinc/26/90/58/601269058.db2.gz OQBQDNZIRKTAIP-ZDUSSCGKSA-N -2 3 353.421 2.287 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CCO3)ccc1C(=O)[O-] ZINC000832904230 601362729 /nfs/dbraw/zinc/36/27/29/601362729.db2.gz AGFBRLOTPMAICA-UHFFFAOYSA-N -2 3 362.407 2.323 20 0 FEADHL CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000826805969 601382977 /nfs/dbraw/zinc/38/29/77/601382977.db2.gz AUWWPLPFMPDINC-SNVBAGLBSA-N -2 3 353.329 2.371 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000827755417 601523254 /nfs/dbraw/zinc/52/32/54/601523254.db2.gz QAWQXAJDMHEXFM-YHAQOWFVSA-N -2 3 351.380 2.209 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C1CC1 ZINC000776578693 601574048 /nfs/dbraw/zinc/57/40/48/601574048.db2.gz XYKKBYBXGBDRKV-JTQLQIEISA-N -2 3 366.208 2.120 20 0 FEADHL C[C@@H](C(=O)[O-])[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000237764475 601608228 /nfs/dbraw/zinc/60/82/28/601608228.db2.gz QSZAQADEIOKHLA-ABAIWWIYSA-N -2 3 351.362 2.115 20 0 FEADHL COC[C@](C)([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000831632637 601804101 /nfs/dbraw/zinc/80/41/01/601804101.db2.gz ZHTGJUMLTYDZRE-LBPRGKRZSA-N -2 3 356.227 2.070 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1F ZINC000547870296 601810758 /nfs/dbraw/zinc/81/07/58/601810758.db2.gz NOPJRHVINAJNRA-CYBMUJFWSA-N -2 3 363.288 2.347 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCOc2ccc(C(=O)[O-])cc2)c(F)cc1F ZINC000832903268 601835628 /nfs/dbraw/zinc/83/56/28/601835628.db2.gz AFUIMUXSEZTPKK-UHFFFAOYSA-N -2 3 371.361 2.329 20 0 FEADHL O=C([O-])N1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000740514185 601988813 /nfs/dbraw/zinc/98/88/13/601988813.db2.gz ZEMZQQVJUFIRPK-MRVPVSSYSA-N -2 3 368.242 2.057 20 0 FEADHL Cc1nc(C)c(CCC(=O)N2CCN(C(=O)[O-])Cc3ccccc32)c(=O)[n-]1 ZINC000740217655 602244440 /nfs/dbraw/zinc/24/44/40/602244440.db2.gz NCSFVANBHLBVKA-UHFFFAOYSA-N -2 3 370.409 2.258 20 0 FEADHL CN(CCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000739685054 602314910 /nfs/dbraw/zinc/31/49/10/602314910.db2.gz QIMAHSCCUWBDGH-UHFFFAOYSA-N -2 3 358.313 2.123 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CCCCN3C(=O)[O-])cc2)n1 ZINC000740055039 602505711 /nfs/dbraw/zinc/50/57/11/602505711.db2.gz OLTVTKUQABTSKN-CQSZACIVSA-N -2 3 356.382 2.216 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N(C)[C@@H](C)CNC(=O)[O-])cc2)cc(=O)[n-]1 ZINC000740206778 602572612 /nfs/dbraw/zinc/57/26/12/602572612.db2.gz DRJVAYNLHHQUKH-JTQLQIEISA-N -2 3 359.386 2.277 20 0 FEADHL O=C([O-])NC[C@@H](NC(=O)c1nnc2ccccc2c1[O-])C1CCCCC1 ZINC000740609282 602595127 /nfs/dbraw/zinc/59/51/27/602595127.db2.gz AHXFPYPHHKPDLO-CQSZACIVSA-N -2 3 358.398 2.282 20 0 FEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])cc1 ZINC000740088980 602646435 /nfs/dbraw/zinc/64/64/35/602646435.db2.gz KYIRHMFMPDEMQB-UHFFFAOYSA-N -3 3 366.351 2.290 20 0 FEADHL O=C([O-])N1CCCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000740520763 602866591 /nfs/dbraw/zinc/86/65/91/602866591.db2.gz UNNZZEQMMRAJOI-MRVPVSSYSA-N -2 3 368.242 2.199 20 0 FEADHL O=C([O-])NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000832492282 603130608 /nfs/dbraw/zinc/13/06/08/603130608.db2.gz UKBYDRCAGVNOJC-OIBJUYFYSA-N -2 3 368.242 2.103 20 0 FEADHL O=C([O-])N1CCc2c(cccc2NC=C2C(=O)[N-]C(=O)c3ccccc32)C1 ZINC000740731698 603183613 /nfs/dbraw/zinc/18/36/13/603183613.db2.gz DUJQOHXADFXKBV-MHWRWJLKSA-N -2 3 363.373 2.446 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CCC[C@@H]3CN(C)C(=O)[O-])nc2)n1 ZINC000827556450 603204185 /nfs/dbraw/zinc/20/41/85/603204185.db2.gz KDELXSOPRPAEOK-CQSZACIVSA-N -2 3 357.414 2.385 20 0 FEADHL O=C([O-])N[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000740534529 603271198 /nfs/dbraw/zinc/27/11/98/603271198.db2.gz SYQADCGZRQWDJW-ZDUSSCGKSA-N -2 3 372.772 2.468 20 0 FEADHL O=C([O-])N[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000740534529 603271201 /nfs/dbraw/zinc/27/12/01/603271201.db2.gz SYQADCGZRQWDJW-ZDUSSCGKSA-N -2 3 372.772 2.468 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3CCC[C@@H]3CNC(=O)[O-])cc2)cc(=O)[n-]1 ZINC000830686260 603284522 /nfs/dbraw/zinc/28/45/22/603284522.db2.gz MPAOLLTYGKRFHW-CQSZACIVSA-N -2 3 371.397 2.422 20 0 FEADHL Cc1cccn2cc(CCNC(=O)c3ccc(NC(=O)[O-])cc3[O-])nc12 ZINC000830592159 604005368 /nfs/dbraw/zinc/00/53/68/604005368.db2.gz WNICGBKCLLJFNA-UHFFFAOYSA-N -2 3 354.366 2.411 20 0 FEADHL Cc1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000826330410 607683609 /nfs/dbraw/zinc/68/36/09/607683609.db2.gz SVKQDUOGQWMDFB-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL Cc1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000826330410 607683611 /nfs/dbraw/zinc/68/36/11/607683611.db2.gz SVKQDUOGQWMDFB-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824685423 604327770 /nfs/dbraw/zinc/32/77/70/604327770.db2.gz MJTVAQNZJRWBHM-WCQYABFASA-N -2 3 358.402 2.221 20 0 FEADHL C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824685423 604327775 /nfs/dbraw/zinc/32/77/75/604327775.db2.gz MJTVAQNZJRWBHM-WCQYABFASA-N -2 3 358.402 2.221 20 0 FEADHL CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000824353008 607694278 /nfs/dbraw/zinc/69/42/78/607694278.db2.gz TVZPEIYEFYAUHD-UHFFFAOYSA-N -2 3 362.390 2.325 20 0 FEADHL CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000824353008 607694280 /nfs/dbraw/zinc/69/42/80/607694280.db2.gz TVZPEIYEFYAUHD-UHFFFAOYSA-N -2 3 362.390 2.325 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c(C)c1F ZINC000833734652 605263522 /nfs/dbraw/zinc/26/35/22/605263522.db2.gz RFSRIVGFNXEHCI-UHFFFAOYSA-N -2 3 369.370 2.407 20 0 FEADHL Cc1nc(C)c(CC(=O)N[C@H](C(=O)[O-])c2ccc3ccccc3c2)c(=O)[n-]1 ZINC000833754822 605316950 /nfs/dbraw/zinc/31/69/50/605316950.db2.gz KKALYLQPOJEAKH-SFHVURJKSA-N -2 3 365.389 2.437 20 0 FEADHL O=C([O-])N[C@@H]1CCC[C@H]2CN(Cn3[n-]c(-c4ccccn4)nc3=S)C[C@H]21 ZINC000834186159 605330270 /nfs/dbraw/zinc/33/02/70/605330270.db2.gz VJNRYNZCMOXPFD-YNEHKIRRSA-N -2 3 374.470 2.328 20 0 FEADHL O=C([O-])N[C@@H]1CC[C@@H](C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000832269748 605415177 /nfs/dbraw/zinc/41/51/77/605415177.db2.gz LQFOMKQIZBFZJV-NXEZZACHSA-N -2 3 357.204 2.207 20 0 FEADHL O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000834152022 605806764 /nfs/dbraw/zinc/80/67/64/605806764.db2.gz WZTITQLXXJTMMY-JTQLQIEISA-N -2 3 370.324 2.169 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nn[nH]n2)ccc1[O-])C1=Cc2ccccc2CC1 ZINC000823582976 606211518 /nfs/dbraw/zinc/21/15/18/606211518.db2.gz FMQKBVXPPLEBRQ-UHFFFAOYSA-N -2 3 369.406 2.301 20 0 FEADHL Cc1ccncc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822379137 606638083 /nfs/dbraw/zinc/63/80/83/606638083.db2.gz KTOQYTJUQPOKBI-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccncc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822379137 606638084 /nfs/dbraw/zinc/63/80/84/606638084.db2.gz KTOQYTJUQPOKBI-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL CC(C)(C)CCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819907536 606891732 /nfs/dbraw/zinc/89/17/32/606891732.db2.gz PNNVDQNBJSIKCX-UHFFFAOYSA-N -2 3 359.402 2.250 20 0 FEADHL CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820981932 606895385 /nfs/dbraw/zinc/89/53/85/606895385.db2.gz XTHSJTNOHJICQV-PRHODGIISA-N -2 3 357.386 2.002 20 0 FEADHL O=S(=O)([N-]c1scnc1C1CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826493423 608095219 /nfs/dbraw/zinc/09/52/19/608095219.db2.gz JTMFVAMMFCHBPI-UHFFFAOYSA-N -2 3 366.403 2.141 20 0 FEADHL O=S(=O)([N-]c1scnc1C1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826493423 608095220 /nfs/dbraw/zinc/09/52/20/608095220.db2.gz JTMFVAMMFCHBPI-UHFFFAOYSA-N -2 3 366.403 2.141 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2ncco2)cc1)c1ccccc1-c1nnn[n-]1 ZINC000826492562 608268008 /nfs/dbraw/zinc/26/80/08/608268008.db2.gz RFVHBXMYEDDYTM-UHFFFAOYSA-N -2 3 368.378 2.323 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2ncco2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000826492562 608268009 /nfs/dbraw/zinc/26/80/09/608268009.db2.gz RFVHBXMYEDDYTM-UHFFFAOYSA-N -2 3 368.378 2.323 20 0 FEADHL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826299897 609156882 /nfs/dbraw/zinc/15/68/82/609156882.db2.gz AIVPDFLASLTQDS-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cccc(O)c1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826299897 609156884 /nfs/dbraw/zinc/15/68/84/609156884.db2.gz AIVPDFLASLTQDS-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)nn1[C@@H](C)C1CC1 ZINC000826271625 609469264 /nfs/dbraw/zinc/46/92/64/609469264.db2.gz ZKLMBAKTYPXPGZ-NSHDSACASA-N -2 3 373.442 2.143 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)nn1[C@@H](C)C1CC1 ZINC000826271625 609469266 /nfs/dbraw/zinc/46/92/66/609469266.db2.gz ZKLMBAKTYPXPGZ-NSHDSACASA-N -2 3 373.442 2.143 20 0 FEADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000564269958 674989427 /nfs/dbraw/zinc/98/94/27/674989427.db2.gz DJWIZKYWMJOOPA-VIFPVBQESA-N -2 3 354.350 2.412 20 0 FEADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000036833161 670138106 /nfs/dbraw/zinc/13/81/06/670138106.db2.gz BZZYGIAAJXKJRE-UHFFFAOYSA-N -2 3 366.464 2.348 20 0 FEADHL O=C(CCC1CCCCC1)[N-][N-]S(=O)(=O)c1cccc2nsnc21 ZINC000066588577 670444447 /nfs/dbraw/zinc/44/44/47/670444447.db2.gz HKYNKIASYKDZEA-UHFFFAOYSA-N -2 3 368.484 2.361 20 0 FEADHL C[C@@H](CC(=O)[O-])N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000570827837 670775431 /nfs/dbraw/zinc/77/54/31/670775431.db2.gz PCXHOZPXWJKADZ-QMMMGPOBSA-N -2 3 367.199 2.226 20 0 FEADHL COc1ccc([C@@H](OC)[C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000571675475 670910776 /nfs/dbraw/zinc/91/07/76/670910776.db2.gz WGCWRECPMGAMGG-BONVTDFDSA-N -2 3 369.395 2.041 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C2([C@@H](C)C(=O)[O-])CC2)sc1Br ZINC000650426612 677373156 /nfs/dbraw/zinc/37/31/56/677373156.db2.gz ONFJDZAUVDFQSU-ZETCQYMHSA-N -2 3 368.274 2.351 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-])s1 ZINC000580623933 671821635 /nfs/dbraw/zinc/82/16/35/671821635.db2.gz CHJTXDUGGIRSTL-NKWVEPMBSA-N -2 3 356.263 2.207 20 0 FEADHL CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000678821941 672445639 /nfs/dbraw/zinc/44/56/39/672445639.db2.gz LLUCTXHPVWPNGU-UHFFFAOYSA-N -2 3 364.423 2.341 20 0 FEADHL Cc1nc(S(=O)(=O)[N-]CCSCC(=O)[O-])c(-c2ccccc2)s1 ZINC000596032738 673350864 /nfs/dbraw/zinc/35/08/64/673350864.db2.gz DTXFNMWDWNPPJW-UHFFFAOYSA-N -2 3 372.493 2.215 20 0 FEADHL COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737052869 673548246 /nfs/dbraw/zinc/54/82/46/673548246.db2.gz BXWSWJWTXDWZLY-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL N#Cc1ccc(F)c(CS(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000547541453 673860559 /nfs/dbraw/zinc/86/05/59/673860559.db2.gz XMDNAIZTUXAQTI-UHFFFAOYSA-N -2 3 352.318 2.477 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2Cl)C(=O)[O-])s1 ZINC000547554735 673862836 /nfs/dbraw/zinc/86/28/36/673862836.db2.gz XBFSXQZAPXXGHY-LLVKDONJSA-N -2 3 374.871 2.327 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2cccc(C)c2)C(=O)[O-])s1 ZINC000547886213 673897517 /nfs/dbraw/zinc/89/75/17/673897517.db2.gz RLMMIEYGLDCNFF-CYBMUJFWSA-N -2 3 368.480 2.236 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000547913051 673903468 /nfs/dbraw/zinc/90/34/68/673903468.db2.gz GTQFDZRRPPWDSZ-NSHDSACASA-N -2 3 362.766 2.188 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000547913045 673903645 /nfs/dbraw/zinc/90/36/45/673903645.db2.gz GTQFDZRRPPWDSZ-LLVKDONJSA-N -2 3 362.766 2.188 20 0 FEADHL COCC[C@@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000548207226 673934750 /nfs/dbraw/zinc/93/47/50/673934750.db2.gz HELFPODXKDNTQQ-LLVKDONJSA-N -2 3 361.803 2.163 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1C(N)=O ZINC000548231972 673938815 /nfs/dbraw/zinc/93/88/15/673938815.db2.gz CLYORIHXHWUFSF-UHFFFAOYSA-N -2 3 366.370 2.040 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)c1c(F)cccc1F ZINC000548260542 673943782 /nfs/dbraw/zinc/94/37/82/673943782.db2.gz GSIMMVAXZCEIOF-ZDUSSCGKSA-N -2 3 363.288 2.347 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])s1 ZINC000548260598 673943903 /nfs/dbraw/zinc/94/39/03/673943903.db2.gz JCGNGJHBIRXPMF-UHFFFAOYSA-N -2 3 363.457 2.094 20 0 FEADHL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1c(C)ccc(F)c1C(=O)[O-] ZINC000548534137 673967085 /nfs/dbraw/zinc/96/70/85/673967085.db2.gz IGDDTVUVGGWKRI-PWSUYJOCSA-N -2 3 373.402 2.306 20 0 FEADHL CCc1noc(CC)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC000567792549 675322979 /nfs/dbraw/zinc/32/29/79/675322979.db2.gz KGOGAHYEHHDXLX-UHFFFAOYSA-N -2 3 356.400 2.132 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(C)(C)c1ccccc1 ZINC000567804582 675324749 /nfs/dbraw/zinc/32/47/49/675324749.db2.gz OEVYQONJSGZITF-SNVBAGLBSA-N -2 3 354.453 2.486 20 0 FEADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1 ZINC000825341329 675647659 /nfs/dbraw/zinc/64/76/59/675647659.db2.gz ABUIFTZGWMICAM-UHFFFAOYSA-N -2 3 359.411 2.456 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)cnc1Cl ZINC000826272487 675685276 /nfs/dbraw/zinc/68/52/76/675685276.db2.gz LYYHUPPVVGLTGF-UHFFFAOYSA-N -2 3 368.781 2.163 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1-c1nn[n-]n1 ZINC000826299809 675685962 /nfs/dbraw/zinc/68/59/62/675685962.db2.gz WHSIYRYYOHKMKE-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL CCOC1(CS(=O)(=O)[N-]c2cc(C)ccc2C(=O)[O-])CCOCC1 ZINC000629305550 676843937 /nfs/dbraw/zinc/84/39/37/676843937.db2.gz VLTKVONVFCBSIG-UHFFFAOYSA-N -2 3 357.428 2.021 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1scnc1C(=O)[O-])Oc1cccc(F)c1 ZINC000645988286 677276493 /nfs/dbraw/zinc/27/64/93/677276493.db2.gz MOBBGOSXYXADDJ-SNVBAGLBSA-N -2 3 374.415 2.116 20 0 FEADHL CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc(C(=O)CCC(=O)[O-])c1 ZINC000647923827 677308638 /nfs/dbraw/zinc/30/86/38/677308638.db2.gz UAKZFHAKNGINDR-JKSUJKDBSA-N -2 3 369.439 2.433 20 0 FEADHL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000656163191 677716799 /nfs/dbraw/zinc/71/67/99/677716799.db2.gz QLCOSVZMWBBUBQ-QMMMGPOBSA-N -2 3 363.716 2.450 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)COc2cccc(F)c2)oc1C(=O)[O-] ZINC000663419715 678733669 /nfs/dbraw/zinc/73/36/69/678733669.db2.gz UHTRGYDTXYFNAS-SNVBAGLBSA-N -2 3 357.359 2.171 20 0 FEADHL Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C2CC2)s1 ZINC000663422066 678734809 /nfs/dbraw/zinc/73/48/09/678734809.db2.gz AUWNYHVBECAOEA-NSHDSACASA-N -2 3 356.425 2.481 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-])c(F)cc1Br ZINC000840785182 680842712 /nfs/dbraw/zinc/84/27/12/680842712.db2.gz NHRHBTTVBGUUEU-SSDOTTSWSA-N -2 3 368.224 2.286 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C1CCCCC1 ZINC000833169584 680189408 /nfs/dbraw/zinc/18/94/08/680189408.db2.gz WMRSDENIVLTWMX-ZDUSSCGKSA-N -2 3 351.346 2.416 20 0 FEADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)CC(C)C ZINC000841491413 680886955 /nfs/dbraw/zinc/88/69/55/680886955.db2.gz FCGRTLOMXJHQFO-SECBINFHSA-N -2 3 351.371 2.002 20 0 FEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)c1 ZINC000841776752 680911333 /nfs/dbraw/zinc/91/13/33/680911333.db2.gz PDZUTXUFXXYOPP-UHFFFAOYSA-N -2 3 373.402 2.068 20 0 FEADHL C[C@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCOC1 ZINC000844893220 681090607 /nfs/dbraw/zinc/09/06/07/681090607.db2.gz AIABACATSNQRJC-CYBMUJFWSA-N -2 3 368.238 2.397 20 0 FEADHL CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCO1 ZINC000844898905 681092007 /nfs/dbraw/zinc/09/20/07/681092007.db2.gz PMKXIBDQHOVCNR-RNCFNFMXSA-N -2 3 363.382 2.145 20 0 FEADHL CCCCCCn1cc(S(=O)(=O)[N-]c2ccccc2[O-])c(=O)[nH]c1=O ZINC000772569535 681103258 /nfs/dbraw/zinc/10/32/58/681103258.db2.gz SRABMZUCBLQHCQ-UHFFFAOYSA-N -2 3 367.427 2.036 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000776538315 681401444 /nfs/dbraw/zinc/40/14/44/681401444.db2.gz LBAYTWCLUMIVCF-SSDOTTSWSA-N -2 3 370.652 2.492 20 0 FEADHL O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000853069158 682370842 /nfs/dbraw/zinc/37/08/42/682370842.db2.gz KOVPJDQSSSENRD-QMMMGPOBSA-N -2 3 369.292 2.176 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C1CC1 ZINC000793986158 682923792 /nfs/dbraw/zinc/92/37/92/682923792.db2.gz RFRTXPSICIKKPX-QMMMGPOBSA-N -2 3 371.308 2.256 20 0 FEADHL O=C([O-])/C=C/C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000797428665 683250304 /nfs/dbraw/zinc/25/03/04/683250304.db2.gz CGFXFYTUOLAVNQ-OWOJBTEDSA-N -2 3 354.609 2.022 20 0 FEADHL CC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000863409241 683718022 /nfs/dbraw/zinc/71/80/22/683718022.db2.gz XVAQBDIDKOEJFY-VIFPVBQESA-N -2 3 373.736 2.069 20 0 FEADHL O=C([O-])C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000903560936 690924327 /nfs/dbraw/zinc/92/43/27/690924327.db2.gz LSVSXZAFNQRGMB-BDAKNGLRSA-N -2 3 352.334 2.022 20 0 FEADHL Cc1ccc([C@@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C(=O)[O-])cc1C ZINC000580613431 939772355 /nfs/dbraw/zinc/77/23/55/939772355.db2.gz BHEOJVAAWFAHQA-OAHLLOKOSA-N -2 3 367.361 2.134 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000029403336 539852821 /nfs/dbraw/zinc/85/28/21/539852821.db2.gz OXECZIZNLPWELJ-UHFFFAOYSA-N -2 3 358.416 2.306 20 0 FEADHL O=C([O-])CCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000034936951 539978298 /nfs/dbraw/zinc/97/82/98/539978298.db2.gz ZFRSYPLQUKMCDD-UHFFFAOYSA-N -2 3 356.625 2.246 20 0 FEADHL C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077383465 542375627 /nfs/dbraw/zinc/37/56/27/542375627.db2.gz PFZMTXPXAHYSHD-GWCFXTLKSA-N -2 3 364.464 2.054 20 0 FEADHL O=C([O-])c1cc([N-]S(=O)(=O)C[C@H]2CCCO2)ccc1Br ZINC000132368659 326591575 /nfs/dbraw/zinc/59/15/75/326591575.db2.gz GYCYNXPLZMDGFQ-SECBINFHSA-N -2 3 364.217 2.068 20 0 FEADHL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000166572981 327082471 /nfs/dbraw/zinc/08/24/71/327082471.db2.gz NGRRFSBQJFLPCE-LLVKDONJSA-N -2 3 364.217 2.068 20 0 FEADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CCO1 ZINC000273631336 329880314 /nfs/dbraw/zinc/88/03/14/329880314.db2.gz COHOLVCLOQKFJK-HTQZYQBOSA-N -2 3 351.783 2.023 20 0 FEADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274702251 329972400 /nfs/dbraw/zinc/97/24/00/329972400.db2.gz OCCOPEYYTHQTBX-NSHDSACASA-N -2 3 352.815 2.087 20 0 FEADHL COc1ccc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)c(Cl)c1Cl ZINC000275007923 330001566 /nfs/dbraw/zinc/00/15/66/330001566.db2.gz MTOYREFPHAQANV-SFYZADRCSA-N -2 3 366.222 2.310 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-]C[C@@H](Cc1ccccc1C)C(=O)[O-] ZINC000275035902 330004233 /nfs/dbraw/zinc/00/42/33/330004233.db2.gz QLNHAYUTMHIEMX-CYBMUJFWSA-N -2 3 369.464 2.287 20 0 FEADHL O=C([O-])c1ccc(Br)cc1[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000275152511 330016063 /nfs/dbraw/zinc/01/60/63/330016063.db2.gz YWVROCSEMGVTOM-VIFPVBQESA-N -2 3 364.217 2.068 20 0 FEADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000275315052 330034184 /nfs/dbraw/zinc/03/41/84/330034184.db2.gz RSRKMSOPUIHOCY-ZETCQYMHSA-N -2 3 365.251 2.231 20 0 FEADHL CC1(C)CC[C@]([N-]S(=O)(=O)c2cccnc2C(F)(F)F)(C(=O)[O-])C1 ZINC000554433797 674317129 /nfs/dbraw/zinc/31/71/29/674317129.db2.gz UYXVYRDJEADCCZ-CYBMUJFWSA-N -2 3 366.361 2.412 20 0 FEADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000485273343 561316124 /nfs/dbraw/zinc/31/61/24/561316124.db2.gz OUPCAWKIDGPRJH-UHFFFAOYSA-N -3 3 367.354 2.342 20 0 FEADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)cc1 ZINC000189511133 548305371 /nfs/dbraw/zinc/30/53/71/548305371.db2.gz USFHYCJUPHVAAQ-GFCCVEGCSA-N -2 3 373.438 2.270 20 0 FEADHL O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000489403792 561410181 /nfs/dbraw/zinc/41/01/81/561410181.db2.gz DRZOYYFIQQYZSI-NSHDSACASA-N -2 3 374.340 2.075 20 0 FEADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000261620760 549735727 /nfs/dbraw/zinc/73/57/27/549735727.db2.gz CCEUGWGZLZPINY-JTQLQIEISA-N -2 3 370.652 2.490 20 0 FEADHL Cc1cc(C(=O)N2CCCc3cccc([O-])c32)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000490874103 561439544 /nfs/dbraw/zinc/43/95/44/561439544.db2.gz RYRQNKDMOBSQIP-UHFFFAOYSA-N -3 3 352.350 2.043 20 0 FEADHL COC(=O)CC1(CS(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])CC1 ZINC000274901421 550563482 /nfs/dbraw/zinc/56/34/82/550563482.db2.gz ICVYQVUNMCQGIZ-UHFFFAOYSA-N -2 3 361.803 2.123 20 0 FEADHL C[C@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1F)CC(=O)[O-] ZINC000274960531 550567906 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CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820589452 606895223 /nfs/dbraw/zinc/89/52/23/606895223.db2.gz FVZYHJSBAZBCNY-NSHDSACASA-N -2 3 357.386 2.002 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cncc(Cl)c1 ZINC000826492671 609339155 /nfs/dbraw/zinc/33/91/55/609339155.db2.gz XIWZHBVQLMLQDD-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnc2c(c1)CCCC2 ZINC000826255607 609459580 /nfs/dbraw/zinc/45/95/80/609459580.db2.gz DHMJGPPKNVQJQC-UHFFFAOYSA-N -2 3 370.438 2.250 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000559918607 674560255 /nfs/dbraw/zinc/56/02/55/674560255.db2.gz XQMAAKXOSUFWCD-MRVPVSSYSA-N -2 3 356.625 2.244 20 0 FEADHL CCC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C(=O)[O-] ZINC000563355625 674876935 /nfs/dbraw/zinc/87/69/35/674876935.db2.gz ONMGGAORIRNSBO-JTQLQIEISA-N -2 3 368.224 2.428 20 0 FEADHL CC(C)CC(=O)[N-][N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000025742576 670064623 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CCc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c(C(=O)[O-])c1 ZINC000538298664 673432690 /nfs/dbraw/zinc/43/26/90/673432690.db2.gz OVOHMVXRLNFIMD-UHFFFAOYSA-N -3 3 351.380 2.462 20 0 FEADHL Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)ccc12 ZINC000538757105 673456571 /nfs/dbraw/zinc/45/65/71/673456571.db2.gz SGMGHBVZNLAIQZ-UHFFFAOYSA-N -2 3 361.379 2.136 20 0 FEADHL Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)ccc12 ZINC000538757105 673456572 /nfs/dbraw/zinc/45/65/72/673456572.db2.gz SGMGHBVZNLAIQZ-UHFFFAOYSA-N -2 3 361.379 2.136 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(C)n2)cc1F ZINC000539468224 673491846 /nfs/dbraw/zinc/49/18/46/673491846.db2.gz VPIZBRPMTFECDF-UHFFFAOYSA-N -2 3 373.431 2.092 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1C(=O)[O-] ZINC000547870751 673895092 /nfs/dbraw/zinc/89/50/92/673895092.db2.gz JBISPYKGDRBGRZ-UHFFFAOYSA-N -3 3 361.375 2.373 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cccc(F)c1 ZINC000548246973 673942066 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Cc1nc(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)sc1C(=O)[O-] ZINC000318200624 553763111 /nfs/dbraw/zinc/76/31/11/553763111.db2.gz CLBOIGRHHNUAFW-UHFFFAOYSA-N -2 3 364.807 2.421 20 0 FEADHL O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000320289080 553764776 /nfs/dbraw/zinc/76/47/76/553764776.db2.gz IDVDOFJNDHASLI-ZDUSSCGKSA-N -2 3 357.790 2.453 20 0 FEADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000326356122 553780020 /nfs/dbraw/zinc/78/00/20/553780020.db2.gz ZYFXAPMQIYMBKI-UHFFFAOYSA-N -3 3 357.290 2.162 20 0 FEADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000328073639 553793064 /nfs/dbraw/zinc/79/30/64/553793064.db2.gz RJZJSYGFALCHDF-UHFFFAOYSA-N -2 3 369.370 2.350 20 0 FEADHL C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)co1 ZINC000350814379 554815754 /nfs/dbraw/zinc/81/57/54/554815754.db2.gz LEUXUQXHDMLWIZ-UHFFFAOYSA-N -2 3 355.759 2.264 20 0 FEADHL O=S(=O)([N-]CC(F)(F)F)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000511413871 561868482 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20 0 FEADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000380181578 558602558 /nfs/dbraw/zinc/60/25/58/558602558.db2.gz HEZDQOHPPFKADX-NSHDSACASA-N -2 3 366.208 2.120 20 0 FEADHL NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000392238603 558617003 /nfs/dbraw/zinc/61/70/03/558617003.db2.gz WABLAIBGMQLGTP-UHFFFAOYSA-N -2 3 372.761 2.077 20 0 FEADHL O=C(Nc1ccncc1[O-])c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000409454231 558693569 /nfs/dbraw/zinc/69/35/69/558693569.db2.gz XVNOEGNZVAGEPK-UHFFFAOYSA-N -2 3 369.402 2.262 20 0 FEADHL CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000414335334 559156941 /nfs/dbraw/zinc/15/69/41/559156941.db2.gz GVAIEZHITIXYPW-UHFFFAOYSA-N -2 3 358.803 2.376 20 0 FEADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-] ZINC000527052510 562274730 /nfs/dbraw/zinc/27/47/30/562274730.db2.gz XRHZYKRSLAHZFG-VIFPVBQESA-N -2 3 364.807 2.348 20 0 FEADHL CCOC(=O)c1ccc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c([O-])c1 ZINC000421161855 559527843 /nfs/dbraw/zinc/52/78/43/559527843.db2.gz YBDMIFYFVNOOAW-CYBMUJFWSA-N -2 3 359.444 2.372 20 0 FEADHL O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425310513 559696042 /nfs/dbraw/zinc/69/60/42/559696042.db2.gz XIECKFVNBHICEP-VIFPVBQESA-N -2 3 368.187 2.263 20 0 FEADHL Cc1cc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc2n(C)c1=O ZINC000427349808 559753853 /nfs/dbraw/zinc/75/38/53/559753853.db2.gz LYHLRFUUTLFNTE-UHFFFAOYSA-N -2 3 372.402 2.346 20 0 FEADHL CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000433493191 559882983 /nfs/dbraw/zinc/88/29/83/559882983.db2.gz IXUNVNMIKLCKFG-UHFFFAOYSA-N -3 3 364.379 2.158 20 0 FEADHL C[C@]1(CNC(=O)c2ccccc2[O-])CCN(C(=O)c2ccccc2[O-])C1 ZINC000442844842 560059427 /nfs/dbraw/zinc/05/94/27/560059427.db2.gz SOHLIDYGDPLNDY-HXUWFJFHSA-N -2 3 354.406 2.380 20 0 FEADHL CCCCc1cnc([N-]S(=O)(=O)c2ccc([O-])c(C(=O)OC)c2)nc1 ZINC000451096511 560286767 /nfs/dbraw/zinc/28/67/67/560286767.db2.gz BDSZBEMXTFDNHE-UHFFFAOYSA-N -2 3 365.411 2.112 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(C)n(C)nc3c2)ccc1[O-] ZINC000461342417 560767411 /nfs/dbraw/zinc/76/74/11/560767411.db2.gz RDJQTRVIXYKXRE-UHFFFAOYSA-N -2 3 374.422 2.347 20 0 FEADHL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000467991289 560920838 /nfs/dbraw/zinc/92/08/38/560920838.db2.gz WXICYZYXTGZZGF-UHFFFAOYSA-N -2 3 370.814 2.254 20 0 FEADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000531090121 562434362 /nfs/dbraw/zinc/43/43/62/562434362.db2.gz OSGUAAVQPDLZKR-HNNXBMFYSA-N -2 3 353.378 2.426 20 0 FEADHL CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1CC ZINC000536993302 562583733 /nfs/dbraw/zinc/58/37/33/562583733.db2.gz OJIZQQZOWFQKIW-UHFFFAOYSA-N -2 3 358.419 2.496 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F)N(C)c1ccccc1 ZINC000546263533 562635637 /nfs/dbraw/zinc/63/56/37/562635637.db2.gz REHBTECUMASXMN-GFCCVEGCSA-N -2 3 366.414 2.327 20 0 FEADHL O=S(=O)([N-]c1ccccc1OCC1CC1)c1ccccc1-c1nnn[n-]1 ZINC000738342113 598950997 /nfs/dbraw/zinc/95/09/97/598950997.db2.gz LDOQFQOZLDENQR-UHFFFAOYSA-N -2 3 371.422 2.456 20 0 FEADHL O=S(=O)([N-]c1ccccc1OCC1CC1)c1ccccc1-c1nn[n-]n1 ZINC000738342113 598950999 /nfs/dbraw/zinc/95/09/99/598950999.db2.gz LDOQFQOZLDENQR-UHFFFAOYSA-N -2 3 371.422 2.456 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000737300898 598968212 /nfs/dbraw/zinc/96/82/12/598968212.db2.gz FOTKCRGWNJSHFB-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736444127 598416431 /nfs/dbraw/zinc/41/64/31/598416431.db2.gz DHAYERHCHCEAKP-UHFFFAOYSA-N -2 3 371.850 2.295 20 0 FEADHL CCCCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736444127 598416432 /nfs/dbraw/zinc/41/64/32/598416432.db2.gz DHAYERHCHCEAKP-UHFFFAOYSA-N -2 3 371.850 2.295 20 0 FEADHL O=S(=O)([N-]c1ccc(OCC2CC2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000738343000 598809661 /nfs/dbraw/zinc/80/96/61/598809661.db2.gz VBRMNTWZISMWLH-UHFFFAOYSA-N -2 3 371.422 2.456 20 0 FEADHL O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1c(F)cc([O-])cc1F ZINC000738232670 599369031 /nfs/dbraw/zinc/36/90/31/599369031.db2.gz VPRFKUTYSWKQRJ-UHFFFAOYSA-N -2 3 350.256 2.347 20 0 FEADHL O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1c(F)cc([O-])cc1F ZINC000738232670 599369033 /nfs/dbraw/zinc/36/90/33/599369033.db2.gz VPRFKUTYSWKQRJ-UHFFFAOYSA-N -2 3 350.256 2.347 20 0 FEADHL O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1c(F)cc([O-])cc1F ZINC000738224011 599369081 /nfs/dbraw/zinc/36/90/81/599369081.db2.gz KYKPAIQGOMKBAB-UHFFFAOYSA-N -2 3 362.292 2.086 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N2CCCCC2)o1 ZINC000740175123 599765880 /nfs/dbraw/zinc/76/58/80/599765880.db2.gz GJYPHGYCJPSXOQ-LBPRGKRZSA-N -2 3 368.411 2.076 20 0 FEADHL O=C([O-])c1coc(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000740266920 599882157 /nfs/dbraw/zinc/88/21/57/599882157.db2.gz CNQNXGMKBPSAER-CQSZACIVSA-N -2 3 359.334 2.031 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC000738655383 600102935 /nfs/dbraw/zinc/10/29/35/600102935.db2.gz SHJNADLPCMMTPQ-HZPDHXFCSA-N -2 3 374.418 2.455 20 0 FEADHL Cc1ccc(-c2ncc(C(=O)[N-]c3n[nH]c(CC(=O)[O-])n3)s2)c(C)c1 ZINC000738490522 600180090 /nfs/dbraw/zinc/18/00/90/600180090.db2.gz MUHJLSHXHPOACZ-UHFFFAOYSA-N -2 3 357.395 2.424 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3cccc(F)c3)C2)o1 ZINC000740175714 600226651 /nfs/dbraw/zinc/22/66/51/600226651.db2.gz WIHIRVXFDTYCLO-GFCCVEGCSA-N -2 3 368.386 2.064 20 0 FEADHL O=C([O-])[C@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(Cl)c1 ZINC000740297375 600330404 /nfs/dbraw/zinc/33/04/04/600330404.db2.gz FSDABZIXMYWYGS-CYBMUJFWSA-N -2 3 359.721 2.206 20 0 FEADHL Cc1cccc(C[C@@H](C[N-]S(=O)(=O)c2cccnc2Cl)C(=O)[O-])c1 ZINC000738708014 600444954 /nfs/dbraw/zinc/44/49/54/600444954.db2.gz PKMAGBIUVSENHU-ZDUSSCGKSA-N -2 3 368.842 2.265 20 0 FEADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cccnc2Cl)C(=O)[O-])cc1 ZINC000738569860 600445199 /nfs/dbraw/zinc/44/51/99/600445199.db2.gz VAAGTQQVZAVNMX-GFCCVEGCSA-N -2 3 354.815 2.190 20 0 FEADHL CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000737169042 600500013 /nfs/dbraw/zinc/50/00/13/600500013.db2.gz WZNAENNWRUWAJL-CYBMUJFWSA-N -2 3 360.410 2.118 20 0 FEADHL CC(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736440093 600631298 /nfs/dbraw/zinc/63/12/98/600631298.db2.gz INSZBGHZHQXEHP-UHFFFAOYSA-N -2 3 354.197 2.221 20 0 FEADHL C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736764512 600632734 /nfs/dbraw/zinc/63/27/34/600632734.db2.gz GCURFTAUQBTYHQ-RQJHMYQMSA-N -2 3 366.208 2.221 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCOc2ccccc2)c1F ZINC000392030229 600990949 /nfs/dbraw/zinc/99/09/49/600990949.db2.gz KCYAKJWBXMMVLR-UHFFFAOYSA-N -2 3 357.334 2.020 20 0 FEADHL COc1cc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)ccc1C ZINC000572400194 601222284 /nfs/dbraw/zinc/22/22/84/601222284.db2.gz UWXZSYVTTPTAOJ-UHFFFAOYSA-N -2 3 353.396 2.124 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c1F ZINC000324663323 601232192 /nfs/dbraw/zinc/23/21/92/601232192.db2.gz DMMGXJWCYXDMEQ-UHFFFAOYSA-N -2 3 363.288 2.420 20 0 FEADHL CCc1cnc(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)s1 ZINC000391105533 601238839 /nfs/dbraw/zinc/23/88/39/601238839.db2.gz XNEQSVZGWDUISB-UHFFFAOYSA-N -2 3 362.379 2.160 20 0 FEADHL CC[C@](C)([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000094541126 601256181 /nfs/dbraw/zinc/25/61/81/601256181.db2.gz PWRYITIPEQIEPO-JTQLQIEISA-N -2 3 356.263 2.351 20 0 FEADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000094541127 601256259 /nfs/dbraw/zinc/25/62/59/601256259.db2.gz PWRYITIPEQIEPO-SNVBAGLBSA-N -2 3 356.263 2.351 20 0 FEADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000831590477 601266675 /nfs/dbraw/zinc/26/66/75/601266675.db2.gz ICMPRYMWSJUBSL-LBPRGKRZSA-N -2 3 356.227 2.152 20 0 FEADHL C/C(=C/COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000825775299 601415314 /nfs/dbraw/zinc/41/53/14/601415314.db2.gz OIVMMFFTGHAXMN-YFHOEESVSA-N -2 3 373.402 2.090 20 0 FEADHL O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000740728521 602590483 /nfs/dbraw/zinc/59/04/83/602590483.db2.gz BLMZBLUGPAYJHJ-IUODEOHRSA-N -2 3 370.409 2.330 20 0 FEADHL C[C@](CNC(=O)[O-])([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000738924034 602708184 /nfs/dbraw/zinc/70/81/84/602708184.db2.gz HKEUHYODTFMLBX-CYBMUJFWSA-N -2 3 350.799 2.194 20 0 FEADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)NC(=O)[O-] ZINC000738795383 602785915 /nfs/dbraw/zinc/78/59/15/602785915.db2.gz WGQNSZZUZYCVJS-SNVBAGLBSA-N -2 3 372.340 2.415 20 0 FEADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)NC(=O)[O-] ZINC000738795278 602788711 /nfs/dbraw/zinc/78/87/11/602788711.db2.gz VRPAHHKQSBBCGO-ZETCQYMHSA-N -2 3 371.278 2.081 20 0 FEADHL C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823716063 602806701 /nfs/dbraw/zinc/80/67/01/602806701.db2.gz WIRZGSLVDSHLSH-XHDPSFHLSA-N -2 3 366.381 2.450 20 0 FEADHL O=C([O-])N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000740517256 603057738 /nfs/dbraw/zinc/05/77/38/603057738.db2.gz OFAXSKIYTWLYKX-GJZGRUSLSA-N -2 3 370.409 2.473 20 0 FEADHL O=C([O-])NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000832493194 603129500 /nfs/dbraw/zinc/12/95/00/603129500.db2.gz ZQLSYTUSKWCPKD-WPRPVWTQSA-N -2 3 350.799 2.194 20 0 FEADHL O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)C1 ZINC000832296173 603916655 /nfs/dbraw/zinc/91/66/55/603916655.db2.gz JMALOGHDZUANQC-SFYZADRCSA-N -2 3 351.313 2.125 20 0 FEADHL O=C([O-])N[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000832104093 603966419 /nfs/dbraw/zinc/96/64/19/603966419.db2.gz CMMSAUBRTMGOOB-HNNXBMFYSA-N -2 3 366.381 2.074 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCOC3(CCCCC3)C2)cc1C(=O)[O-] ZINC000566172670 604660922 /nfs/dbraw/zinc/66/09/22/604660922.db2.gz DSPIWMMOLZASTD-LBPRGKRZSA-N -2 3 357.428 2.446 20 0 FEADHL Cc1nc(C)c(CCC(=O)N2CCc3ccc(C(=O)[O-])cc3C2)c(=O)[n-]1 ZINC000833755029 604814106 /nfs/dbraw/zinc/81/41/06/604814106.db2.gz WBCCJUBNXIBPRE-UHFFFAOYSA-N -2 3 355.394 2.015 20 0 FEADHL COc1cc(C(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)cc(OC)c1[O-] ZINC000833886526 605924345 /nfs/dbraw/zinc/92/43/45/605924345.db2.gz ZRFGRDZJPJSYJT-CYBMUJFWSA-N -2 3 366.414 2.356 20 0 FEADHL O=C([O-])Nc1cnc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)cn1 ZINC000834278357 606024064 /nfs/dbraw/zinc/02/40/64/606024064.db2.gz MMVBXXCZUNVOPW-UHFFFAOYSA-N -2 3 374.357 2.400 20 0 FEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000821765747 606163043 /nfs/dbraw/zinc/16/30/43/606163043.db2.gz JIOKIALPCBTZHI-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cccc(Cl)c1 ZINC000823583320 606337866 /nfs/dbraw/zinc/33/78/66/606337866.db2.gz MZAVWFQPLFHYHS-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL CCn1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1C1CC1 ZINC000821568384 606624982 /nfs/dbraw/zinc/62/49/82/606624982.db2.gz RQRCFHCDUVWKFW-UHFFFAOYSA-N -2 3 373.442 2.070 20 0 FEADHL CCn1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1C1CC1 ZINC000821568384 606624984 /nfs/dbraw/zinc/62/49/84/606624984.db2.gz RQRCFHCDUVWKFW-UHFFFAOYSA-N -2 3 373.442 2.070 20 0 FEADHL O=S(=O)([N-]c1cc(F)cc(F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823583344 606865558 /nfs/dbraw/zinc/86/55/58/606865558.db2.gz NXLFCFVFSVFRCO-UHFFFAOYSA-N -2 3 373.291 2.224 20 0 FEADHL O=S(=O)([N-]c1cc(F)cc(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823583344 606865560 /nfs/dbraw/zinc/86/55/60/606865560.db2.gz NXLFCFVFSVFRCO-UHFFFAOYSA-N -2 3 373.291 2.224 20 0 FEADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]OCc1ccccc1 ZINC000820001577 606983487 /nfs/dbraw/zinc/98/34/87/606983487.db2.gz SXOGLBWAOIBSPA-UHFFFAOYSA-N -2 3 353.382 2.272 20 0 FEADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)ccc2O1 ZINC000820607292 607034304 /nfs/dbraw/zinc/03/43/04/607034304.db2.gz PFZBGSUYMHSCIV-UHFFFAOYSA-N -2 3 371.422 2.381 20 0 FEADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824352396 607806258 /nfs/dbraw/zinc/80/62/58/607806258.db2.gz CBGACRQJRKPYAD-UHFFFAOYSA-N -2 3 371.422 2.109 20 0 FEADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824352396 607806259 /nfs/dbraw/zinc/80/62/59/607806259.db2.gz CBGACRQJRKPYAD-UHFFFAOYSA-N -2 3 371.422 2.109 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC000826279875 607817124 /nfs/dbraw/zinc/81/71/24/607817124.db2.gz FVYUSHRESMFCJO-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL O=C(c1ccc2[n-]c(=S)oc2c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473599 607952865 /nfs/dbraw/zinc/95/28/65/607952865.db2.gz FZNYXXMBOQSOJM-UHFFFAOYSA-N -2 3 364.390 2.500 20 0 FEADHL O=C(c1ccc2[n-]c(=S)oc2c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473599 607952866 /nfs/dbraw/zinc/95/28/66/607952866.db2.gz FZNYXXMBOQSOJM-UHFFFAOYSA-N -2 3 364.390 2.500 20 0 FEADHL O=S(=O)([N-]c1cncc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826493045 607982978 /nfs/dbraw/zinc/98/29/78/607982978.db2.gz PVMSDUJFARAJSF-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=S(=O)([N-]c1cncc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826493045 607982979 /nfs/dbraw/zinc/98/29/79/607982979.db2.gz PVMSDUJFARAJSF-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825059825 608141133 /nfs/dbraw/zinc/14/11/33/608141133.db2.gz KWAZLFCCQFLNBJ-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825059825 608141134 /nfs/dbraw/zinc/14/11/34/608141134.db2.gz KWAZLFCCQFLNBJ-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)sc1C ZINC000826272402 608293291 /nfs/dbraw/zinc/29/32/91/608293291.db2.gz HQCCTESDSGIFRS-UHFFFAOYSA-N -2 3 353.404 2.485 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)sc1C ZINC000826272402 608293293 /nfs/dbraw/zinc/29/32/93/608293293.db2.gz HQCCTESDSGIFRS-UHFFFAOYSA-N -2 3 353.404 2.485 20 0 FEADHL CC(=O)c1ccc([O-])c(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824024440 609350551 /nfs/dbraw/zinc/35/05/51/609350551.db2.gz FFEOVWIDSHHNLC-UHFFFAOYSA-N -2 3 351.366 2.346 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])c(F)cc1Br ZINC000562736918 674798651 /nfs/dbraw/zinc/79/86/51/674798651.db2.gz HUYRYJLCPZGUCX-UHFFFAOYSA-N -2 3 368.224 2.428 20 0 FEADHL CCOc1cc([N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)c(C(=O)[O-])cc1OCC ZINC000563226990 674861622 /nfs/dbraw/zinc/86/16/22/674861622.db2.gz PCYJIPBJOSPMOK-BMIGLBTASA-N -2 3 373.427 2.101 20 0 FEADHL CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000563705981 674930131 /nfs/dbraw/zinc/93/01/31/674930131.db2.gz CFWNCIIIDBDMFU-DTWKUNHWSA-N -2 3 350.487 2.184 20 0 FEADHL CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000572838829 671050820 /nfs/dbraw/zinc/05/08/20/671050820.db2.gz OZEGHZTZYOCNNX-DTWKUNHWSA-N -2 3 350.487 2.184 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 ZINC000575865731 671327341 /nfs/dbraw/zinc/32/73/41/671327341.db2.gz QUUUFOSDVZQAJY-DZGCQCFKSA-N -2 3 369.370 2.316 20 0 FEADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCC1 ZINC000582199677 671977939 /nfs/dbraw/zinc/97/79/39/671977939.db2.gz SWBRRVFSJDFNLE-UHFFFAOYSA-N -2 3 352.334 2.024 20 0 FEADHL O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000583787480 672125990 /nfs/dbraw/zinc/12/59/90/672125990.db2.gz ZCQJOQZZYUBWNS-LLVKDONJSA-N -2 3 366.361 2.412 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(Cl)cc2OC)c[n-]1 ZINC000585730367 672227815 /nfs/dbraw/zinc/22/78/15/672227815.db2.gz MFTXWJTXSQMMDB-UHFFFAOYSA-N -2 3 359.791 2.049 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2)C(=O)[O-])c(F)cc1F ZINC000681577679 672676399 /nfs/dbraw/zinc/67/63/99/672676399.db2.gz WVLQQIJCKWZRRG-CYBMUJFWSA-N -2 3 369.389 2.495 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCSC[C@H](C)C(=O)[O-])c(F)cc1F ZINC000592449601 672804598 /nfs/dbraw/zinc/80/45/98/672804598.db2.gz KMQIJSJHODQNRM-VIFPVBQESA-N -2 3 353.412 2.005 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)ccc1F ZINC000427337833 673210921 /nfs/dbraw/zinc/21/09/21/673210921.db2.gz WLYRMEFBCOFINK-UHFFFAOYSA-N -2 3 370.333 2.422 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1F ZINC000537266911 673384675 /nfs/dbraw/zinc/38/46/75/673384675.db2.gz LZURHLYURMJBRT-UHFFFAOYSA-N -2 3 373.431 2.092 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1CC(=O)[O-] ZINC000540337651 673534733 /nfs/dbraw/zinc/53/47/33/673534733.db2.gz BVILBHCVBDWFNG-UHFFFAOYSA-N -2 3 365.407 2.446 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Cc1ccccn1 ZINC000547557231 673863015 /nfs/dbraw/zinc/86/30/15/673863015.db2.gz KTYHVBYLURBOSJ-SNVBAGLBSA-N -2 3 372.805 2.096 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]Cc2ccccc2CC(=O)[O-])c(F)cc1F ZINC000547612982 673874181 /nfs/dbraw/zinc/87/41/81/673874181.db2.gz PPANUPHFHQGVEW-UHFFFAOYSA-N -2 3 355.362 2.379 20 0 FEADHL O=C([O-])c1cc([N-]S(=O)(=O)Cc2ccon2)ccc1Br ZINC000547936560 673906996 /nfs/dbraw/zinc/90/69/96/673906996.db2.gz MNNWWSYVWOLUIP-UHFFFAOYSA-N -2 3 361.173 2.077 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])c(C3CC3)n2)s1 ZINC000548541987 673968448 /nfs/dbraw/zinc/96/84/48/673968448.db2.gz GDWIAHVQRLEUGP-UHFFFAOYSA-N -2 3 367.452 2.155 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)Cc1cccnc1 ZINC000548553142 673970771 /nfs/dbraw/zinc/97/07/71/673970771.db2.gz OPAPRYZQUAVPLQ-NSHDSACASA-N -2 3 372.805 2.096 20 0 FEADHL COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000566618146 675229593 /nfs/dbraw/zinc/22/95/93/675229593.db2.gz TYTZMXFIVWUWEU-SNVBAGLBSA-N -2 3 370.452 2.150 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1c1ccccc1 ZINC000567265427 675279944 /nfs/dbraw/zinc/27/99/44/675279944.db2.gz SFONNAKLURNGQN-NWDGAFQWSA-N -2 3 352.437 2.456 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c(C)c1F ZINC000826211702 675683868 /nfs/dbraw/zinc/68/38/68/675683868.db2.gz QHKZCGFXQZYQNU-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1-c1nn[n-]n1)c1cc(F)ccc1F ZINC000826493049 675689601 /nfs/dbraw/zinc/68/96/01/675689601.db2.gz PYSYIWVDEAXJNE-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCCO2)c1Cl ZINC000630422638 676899237 /nfs/dbraw/zinc/89/92/37/676899237.db2.gz MTMZOBRHXXYMME-MWLCHTKSSA-N -2 3 368.238 2.212 20 0 FEADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000630434895 676900863 /nfs/dbraw/zinc/90/08/63/676900863.db2.gz BOOKHWJCEDKXGG-SCZZXKLOSA-N -2 3 366.208 2.120 20 0 FEADHL CCCCC[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000829928789 677018127 /nfs/dbraw/zinc/01/81/27/677018127.db2.gz LTGUBZKDARVJGK-JTQLQIEISA-N -2 3 354.350 2.412 20 0 FEADHL Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)[N-]OCC(F)F)cs2)c1 ZINC000760947166 680705648 /nfs/dbraw/zinc/70/56/48/680705648.db2.gz PHCDHVMQFUJDAW-UHFFFAOYSA-N -2 3 371.365 2.265 20 0 FEADHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-])C1CC1 ZINC000656169430 677719433 /nfs/dbraw/zinc/71/94/33/677719433.db2.gz OVZLKBCXIIHXJS-GHMZBOCLSA-N -2 3 365.810 2.026 20 0 FEADHL O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1ccc(Br)c([O-])c1 ZINC000763977702 680797147 /nfs/dbraw/zinc/79/71/47/680797147.db2.gz PDLGGDKRTWLZQK-ZDUSSCGKSA-N -2 3 374.198 2.187 20 0 FEADHL O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc(Br)c([O-])c1 ZINC000763977702 680797150 /nfs/dbraw/zinc/79/71/50/680797150.db2.gz PDLGGDKRTWLZQK-ZDUSSCGKSA-N -2 3 374.198 2.187 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000663425361 678736090 /nfs/dbraw/zinc/73/60/90/678736090.db2.gz RYPFSIATXQKMON-ZIAGYGMSSA-N -2 3 365.407 2.485 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H](c3ccccc3)CO2)oc1C(=O)[O-] ZINC000663428865 678737451 /nfs/dbraw/zinc/73/74/51/678737451.db2.gz XRANYOWGAPHYPN-KBPBESRZSA-N -2 3 365.407 2.137 20 0 FEADHL CO[C@@H](C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000840892481 680850055 /nfs/dbraw/zinc/85/00/55/680850055.db2.gz UHGZPAWGEZSCOK-ZETCQYMHSA-N -2 3 356.227 2.395 20 0 FEADHL CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)OC ZINC000840894615 680850355 /nfs/dbraw/zinc/85/03/55/680850355.db2.gz XFJKFNVLBYTJCI-PELKAZGASA-N -2 3 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/nfs/dbraw/zinc/51/94/37/599519437.db2.gz BPPGFPHWCCDWTQ-UHFFFAOYSA-N -2 3 373.423 2.119 20 0 FEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCCCCC1 ZINC000823285636 599620259 /nfs/dbraw/zinc/62/02/59/599620259.db2.gz XVXNBOSWTHHAMK-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCCCCC1 ZINC000823285636 599620260 /nfs/dbraw/zinc/62/02/60/599620260.db2.gz XVXNBOSWTHHAMK-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000822034518 599689862 /nfs/dbraw/zinc/68/98/62/599689862.db2.gz FTKGQWILDPIGJK-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000822034518 599689863 /nfs/dbraw/zinc/68/98/63/599689863.db2.gz FTKGQWILDPIGJK-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1nc2ccccc2n1CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738876829 599766989 /nfs/dbraw/zinc/76/69/89/599766989.db2.gz LOTHODSVDUNOHM-UHFFFAOYSA-N -2 3 363.395 2.005 20 0 FEADHL O=C([O-])Cc1nc([N-]C(=O)c2csc(-c3ccccc3Cl)n2)n[nH]1 ZINC000739900022 600181215 /nfs/dbraw/zinc/18/12/15/600181215.db2.gz XYCJAMFLTZGXSM-UHFFFAOYSA-N -2 3 363.786 2.461 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)ccc1F ZINC000605651580 600255013 /nfs/dbraw/zinc/25/50/13/600255013.db2.gz RZPPGAWIZJWTMA-UHFFFAOYSA-N -2 3 370.333 2.422 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccnc2)o1 ZINC000740173363 600343222 /nfs/dbraw/zinc/34/32/22/600343222.db2.gz KRHAUSDYSUEJFB-MRXNPFEDSA-N -2 3 358.375 2.441 20 0 FEADHL O=C([O-])C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(Cl)c1 ZINC000833200481 600804830 /nfs/dbraw/zinc/80/48/30/600804830.db2.gz PFNIONTYSLJBDH-AWEZNQCLSA-N -2 3 372.764 2.169 20 0 FEADHL O=C([O-])CNC(=O)COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000833251629 600868806 /nfs/dbraw/zinc/86/88/06/600868806.db2.gz JPHLNYAWFMMFKD-UHFFFAOYSA-N -2 3 363.753 2.070 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)no2)cc1C(=O)[O-] ZINC000581882384 601223809 /nfs/dbraw/zinc/22/38/09/601223809.db2.gz RKJBHBUOICMLDK-ZETCQYMHSA-N -2 3 357.388 2.006 20 0 FEADHL CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1(C)C ZINC000831526519 601239695 /nfs/dbraw/zinc/23/96/95/601239695.db2.gz HKLZNLZOQFINSK-BONVTDFDSA-N -2 3 363.382 2.145 20 0 FEADHL CCO[C@H](CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)C ZINC000829919077 601239793 /nfs/dbraw/zinc/23/97/93/601239793.db2.gz VECDFOXPIJWVAQ-LLVKDONJSA-N -2 3 365.398 2.393 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC000547899705 601389069 /nfs/dbraw/zinc/38/90/69/601389069.db2.gz CPUXTJZYAKOTCZ-SNVBAGLBSA-N -2 3 368.636 2.244 20 0 FEADHL O=C([O-])c1cc(F)ccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000833299814 601593289 /nfs/dbraw/zinc/59/32/89/601593289.db2.gz UXTDRAFIDKYBTJ-UHFFFAOYSA-N -2 3 358.369 2.188 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]Cc2cccc(OCC(=O)[O-])c2)c(F)cc1F ZINC000832903493 601835455 /nfs/dbraw/zinc/83/54/55/601835455.db2.gz JCBYNGLKEIWMBC-UHFFFAOYSA-N -2 3 371.361 2.215 20 0 FEADHL COC(=O)[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831107985 601991949 /nfs/dbraw/zinc/99/19/49/601991949.db2.gz PVQBMMHKJGEXII-DGCLKSJQSA-N -2 3 373.427 2.077 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1-c1nn[n-]n1 ZINC000826304051 607536537 /nfs/dbraw/zinc/53/65/37/607536537.db2.gz TYPNCKYHPRSSHP-UHFFFAOYSA-N -2 3 371.422 2.301 20 0 FEADHL CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000739238734 602138681 /nfs/dbraw/zinc/13/86/81/602138681.db2.gz TZLXWLNSCRRERF-BMIGLBTASA-N -2 3 358.398 2.366 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(O)cc2)cc1F ZINC000809552572 674497298 /nfs/dbraw/zinc/49/72/98/674497298.db2.gz JEDJWDAAMDBLKE-AWEZNQCLSA-N -2 3 357.334 2.083 20 0 FEADHL O=C([O-])NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000832480787 603128694 /nfs/dbraw/zinc/12/86/94/603128694.db2.gz AQUMDRDBQPAZAH-KCJUWKMLSA-N -2 3 350.799 2.194 20 0 FEADHL O=C([O-])N[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000832140532 603143791 /nfs/dbraw/zinc/14/37/91/603143791.db2.gz LYNFKWBRAMJVRE-CYBMUJFWSA-N -2 3 356.350 2.252 20 0 FEADHL O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000739925616 603241960 /nfs/dbraw/zinc/24/19/60/603241960.db2.gz BXKLSRGQFFNGAN-VIFPVBQESA-N -2 3 353.227 2.414 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](NC(=O)[O-])[C@@H](C)C3)nc2)n1 ZINC000739536019 603405565 /nfs/dbraw/zinc/40/55/65/603405565.db2.gz LONFLJPTSZUNOC-SMDDNHRTSA-N -2 3 357.414 2.289 20 0 FEADHL COC(=O)c1ccc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cc1F ZINC000831364343 604284678 /nfs/dbraw/zinc/28/46/78/604284678.db2.gz KPDRBCZJDOXVPN-UHFFFAOYSA-N -2 3 367.358 2.123 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCCC3)C2)cc1C(=O)[O-] ZINC000566172666 604660946 /nfs/dbraw/zinc/66/09/46/604660946.db2.gz DSPIWMMOLZASTD-GFCCVEGCSA-N -2 3 357.428 2.446 20 0 FEADHL COC(=O)C1CCC(NC(=O)c2ccc(C(C)C)cc2[O-])(C(=O)[O-])CC1 ZINC000833705017 604745052 /nfs/dbraw/zinc/74/50/52/604745052.db2.gz JEHRTFDGRVBARE-UHFFFAOYSA-N -2 3 363.410 2.432 20 0 FEADHL COc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc(OC)c1[O-] ZINC000833727099 605040061 /nfs/dbraw/zinc/04/00/61/605040061.db2.gz PBUPFZWBUGCYFO-CYBMUJFWSA-N -2 3 363.341 2.494 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])c(C)cn1 ZINC000833747122 605185045 /nfs/dbraw/zinc/18/50/45/605185045.db2.gz RPVIBGXXWQNJPF-UHFFFAOYSA-N -2 3 357.391 2.168 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)CNC(=O)[O-])s1 ZINC000833897125 605814311 /nfs/dbraw/zinc/81/43/11/605814311.db2.gz FEHKPELWXROHIZ-ZCFIWIBFSA-N -2 3 371.278 2.001 20 0 FEADHL O=C([O-])N1CCCC[C@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000831715797 605881758 /nfs/dbraw/zinc/88/17/58/605881758.db2.gz YSZCROHASVXTEF-NSHDSACASA-N -2 3 357.204 2.303 20 0 FEADHL O=C([O-])N[C@@H](CC(F)F)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000834127304 606076576 /nfs/dbraw/zinc/07/65/76/606076576.db2.gz AUUIEFUXNSLFNM-QMMMGPOBSA-N -2 3 367.146 2.062 20 0 FEADHL CCCc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1 ZINC000821143905 606335773 /nfs/dbraw/zinc/33/57/73/606335773.db2.gz ZYRRPIZPQOWZEY-UHFFFAOYSA-N -2 3 359.411 2.326 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccc(Cl)cc1F ZINC000823582959 606338122 /nfs/dbraw/zinc/33/81/22/606338122.db2.gz DYIQTXSEMODHPO-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL Cc1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822361894 606864646 /nfs/dbraw/zinc/86/46/46/606864646.db2.gz KGCOYUROLLUXLO-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822361894 606864647 /nfs/dbraw/zinc/86/46/47/606864647.db2.gz KGCOYUROLLUXLO-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1c(F)cccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822034521 606866152 /nfs/dbraw/zinc/86/61/52/606866152.db2.gz FWOLNNBPPRHGMY-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1c(F)cccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822034521 606866154 /nfs/dbraw/zinc/86/61/54/606866154.db2.gz FWOLNNBPPRHGMY-UHFFFAOYSA-N -2 3 369.328 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FEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1c[nH]c2cccc(F)c21 ZINC000185273693 547962765 /nfs/dbraw/zinc/96/27/65/547962765.db2.gz LLYKNTGBIRVZIV-UHFFFAOYSA-N -2 3 372.385 2.212 20 0 FEADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000230096262 548757567 /nfs/dbraw/zinc/75/75/67/548757567.db2.gz MMPGHUFDCWKQIE-SECBINFHSA-N -2 3 364.217 2.068 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@H](C)C(=O)[O-] ZINC000235507254 548766097 /nfs/dbraw/zinc/76/60/97/548766097.db2.gz AEVJCEMNDFKJLZ-BQBZGAKWSA-N -2 3 370.652 2.490 20 0 FEADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-] ZINC000489376987 561409472 /nfs/dbraw/zinc/40/94/72/561409472.db2.gz FLMQRUKLXPYYMZ-UHFFFAOYSA-N -2 3 363.819 2.288 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])Cc2ccccc2)s1 ZINC000262477670 549822932 /nfs/dbraw/zinc/82/29/32/549822932.db2.gz VGPHYFUVADVSNH-CYBMUJFWSA-N -2 3 354.453 2.206 20 0 FEADHL CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)CCOCC1 ZINC000273708445 550508699 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20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2SC)CCC1 ZINC000291014869 552576319 /nfs/dbraw/zinc/57/63/19/552576319.db2.gz CUXOYXMUSJEBNX-UHFFFAOYSA-N -2 3 373.452 2.192 20 0 FEADHL O=C([N-]C[C@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1)C(F)(F)F ZINC000291136450 552591536 /nfs/dbraw/zinc/59/15/36/552591536.db2.gz OQENUOOLVITTEW-MRVPVSSYSA-N -2 3 366.286 2.201 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)CCC1 ZINC000291245068 552605640 /nfs/dbraw/zinc/60/56/40/552605640.db2.gz XSSGRQQYIILOLL-UHFFFAOYSA-N -2 3 361.803 2.123 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nc(C(C)(C)C)co2)ccc1[O-] ZINC000291919310 552674792 /nfs/dbraw/zinc/67/47/92/552674792.db2.gz UNFTUWGGJVEABV-UHFFFAOYSA-N -2 3 354.384 2.265 20 0 FEADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000296980237 553238224 /nfs/dbraw/zinc/23/82/24/553238224.db2.gz PFRFPFXKGYYEQY-ZCFIWIBFSA-N -2 3 371.640 2.029 20 0 FEADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(OC)c1OC ZINC000504713208 561661627 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20 0 FEADHL COC(=O)c1cccc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000327659289 553790656 /nfs/dbraw/zinc/79/06/56/553790656.db2.gz YBQDIEVBJABUAI-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1F ZINC000327856117 553791831 /nfs/dbraw/zinc/79/18/31/553791831.db2.gz SQLJAWUSNHLDOM-UHFFFAOYSA-N -2 3 367.354 2.486 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cn1 ZINC000506706538 561706563 /nfs/dbraw/zinc/70/65/63/561706563.db2.gz KFKYLXLMQLBQCV-UHFFFAOYSA-N -2 3 356.407 2.250 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)ccc1C(=O)[O-] ZINC000507939557 561746573 /nfs/dbraw/zinc/74/65/73/561746573.db2.gz ZKSIVLSUIGGVNK-UHFFFAOYSA-N -2 3 363.391 2.272 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)cc1 ZINC000509659638 561809252 /nfs/dbraw/zinc/80/92/52/561809252.db2.gz SYUKMLRTNZWEFC-UHFFFAOYSA-N -2 3 355.343 2.099 20 0 FEADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1-c1nnc[nH]1 ZINC000362671380 554979746 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358.379 2.279 20 0 FEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCS1 ZINC000387923044 558608280 /nfs/dbraw/zinc/60/82/80/558608280.db2.gz PQSDMOVLLYGGMF-VIFPVBQESA-N -2 3 365.860 2.221 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC)c1nccs1 ZINC000391469492 558614409 /nfs/dbraw/zinc/61/44/09/558614409.db2.gz KYVMDPCVEKQXTO-SNVBAGLBSA-N -2 3 356.425 2.280 20 0 FEADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000392674839 558618760 /nfs/dbraw/zinc/61/87/60/558618760.db2.gz BBJPWPPJRSIEOD-UHFFFAOYSA-N -2 3 367.354 2.040 20 0 FEADHL COC(=O)[C@H](CN=c1nc(CC(C)C)[n-]s1)Cc1ccc([O-])c(F)c1 ZINC000420638497 559494623 /nfs/dbraw/zinc/49/46/23/559494623.db2.gz QGJIACPZXHXHNS-LBPRGKRZSA-N -2 3 367.446 2.447 20 0 FEADHL O=C(c1ccc(Br)cc1[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000436555726 559945438 /nfs/dbraw/zinc/94/54/38/559945438.db2.gz NNLLFTPNCSQUIE-UHFFFAOYSA-N -2 3 368.187 2.263 20 0 FEADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436618634 559946763 /nfs/dbraw/zinc/94/67/63/559946763.db2.gz OGWHWQJGQABCFC-UHFFFAOYSA-N -2 3 372.402 2.411 20 0 FEADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)c1 ZINC000436644480 559947559 /nfs/dbraw/zinc/94/75/59/559947559.db2.gz JTGWPMMNNNYZMW-UHFFFAOYSA-N -2 3 366.395 2.047 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c1 ZINC000437001017 559959144 /nfs/dbraw/zinc/95/91/44/559959144.db2.gz UXEAJXKGEYDQLU-UHFFFAOYSA-N -3 3 359.363 2.077 20 0 FEADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc(C(=O)[O-])cn3)c2)n1 ZINC000439916222 560001935 /nfs/dbraw/zinc/00/19/35/560001935.db2.gz YZWHXMMQVMUPQS-UHFFFAOYSA-N -2 3 365.349 2.152 20 0 FEADHL COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1F ZINC000447396334 560161494 /nfs/dbraw/zinc/16/14/94/560161494.db2.gz LPLWJOXGKJWZNE-UHFFFAOYSA-N -3 3 371.342 2.048 20 0 FEADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cc(Br)c(F)cc1C(=O)[O-] ZINC000451077137 560285825 /nfs/dbraw/zinc/28/58/25/560285825.db2.gz JRUOKZLFLHCTTP-LURJTMIESA-N -2 3 370.196 2.063 20 0 FEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc1C(=O)[O-] ZINC000467312818 560908449 /nfs/dbraw/zinc/90/84/49/560908449.db2.gz JOHKRBCAYPPTLQ-UHFFFAOYSA-N -2 3 366.370 2.040 20 0 FEADHL COc1cc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1F ZINC000467937707 560919873 /nfs/dbraw/zinc/91/98/73/560919873.db2.gz IOFFINSRJYLPDJ-UHFFFAOYSA-N -3 3 359.306 2.178 20 0 FEADHL COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc2c1OCCO2 ZINC000470235665 560977317 /nfs/dbraw/zinc/97/73/17/560977317.db2.gz BJQWMYVEORCBLU-ONEGZZNKSA-N -2 3 358.350 2.068 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1C(=O)[O-] ZINC000476730956 561127245 /nfs/dbraw/zinc/12/72/45/561127245.db2.gz FPCWMBZCCIAOLK-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-] ZINC000530143744 562399861 /nfs/dbraw/zinc/39/98/61/562399861.db2.gz QDMAWXSBWHBDIU-XCBNKYQSSA-N -2 3 364.217 2.066 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)o1 ZINC000530150242 562400117 /nfs/dbraw/zinc/40/01/17/562400117.db2.gz ILELYAAOKXDBPW-ZLKJLUDKSA-N -2 3 353.783 2.248 20 0 FEADHL CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)CC(=O)[O-] ZINC000530435427 562411154 /nfs/dbraw/zinc/41/11/54/562411154.db2.gz DDWUMIVRWGMVQK-MRVPVSSYSA-N -2 3 356.227 2.070 20 0 FEADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(F)ccc2[O-])o1 ZINC000530896914 562427764 /nfs/dbraw/zinc/42/77/64/562427764.db2.gz ILRDRYBAPUKYMW-UHFFFAOYSA-N -2 3 356.375 2.453 20 0 FEADHL CC[C@@](C)(NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000531998881 562463562 /nfs/dbraw/zinc/46/35/62/562463562.db2.gz PTXVLRKOGRHIFX-OAHLLOKOSA-N -2 3 367.199 2.274 20 0 FEADHL COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000537195539 562587563 /nfs/dbraw/zinc/58/75/63/562587563.db2.gz GGTWAKCVEXZITI-UHFFFAOYSA-N -2 3 355.343 2.127 20 0 FEADHL Cc1c([N-]S(=O)(=O)c2cc(F)ccc2F)cccc1-c1nnn[n-]1 ZINC000822121372 607255013 /nfs/dbraw/zinc/25/50/13/607255013.db2.gz FTZORKYOIGVADK-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1c([N-]S(=O)(=O)c2cc(F)ccc2F)cccc1-c1nn[n-]n1 ZINC000822121372 607255014 /nfs/dbraw/zinc/25/50/14/607255014.db2.gz FTZORKYOIGVADK-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000737400321 599193987 /nfs/dbraw/zinc/19/39/87/599193987.db2.gz UCKKPJUEWCLCJY-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000737400321 599193989 /nfs/dbraw/zinc/19/39/89/599193989.db2.gz UCKKPJUEWCLCJY-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CC[C@@H](C)NC(=O)[O-])sc1Br ZINC000830132522 603506240 /nfs/dbraw/zinc/50/62/40/603506240.db2.gz HUWUOPCLWAAXQX-SSDOTTSWSA-N -2 3 371.278 2.144 20 0 FEADHL CC[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000820410997 597657330 /nfs/dbraw/zinc/65/73/30/597657330.db2.gz MUTURUUMHSHGCX-SJORKVTESA-N -2 3 370.405 2.233 20 0 FEADHL C[C@@H](S[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)[O-] ZINC000736188213 598762300 /nfs/dbraw/zinc/76/23/00/598762300.db2.gz JCPPZKZLLXMGCC-NKWVEPMBSA-N -2 3 355.807 2.053 20 0 FEADHL C[C@@H](S[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC000736188213 598762302 /nfs/dbraw/zinc/76/23/02/598762302.db2.gz JCPPZKZLLXMGCC-NKWVEPMBSA-N -2 3 355.807 2.053 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Br)cs2)o1 ZINC000071307611 599771575 /nfs/dbraw/zinc/77/15/75/599771575.db2.gz DKTBLRUJVDPUCZ-UHFFFAOYSA-N -2 3 366.214 2.280 20 0 FEADHL Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000738476221 600174710 /nfs/dbraw/zinc/17/47/10/600174710.db2.gz NMQAVMGZRTZPLV-UHFFFAOYSA-N -2 3 353.334 2.360 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2cccnc2)o1 ZINC000740173362 600343067 /nfs/dbraw/zinc/34/30/67/600343067.db2.gz KRHAUSDYSUEJFB-INIZCTEOSA-N -2 3 358.375 2.441 20 0 FEADHL CCOc1ccc(-c2nc(C(=O)[N-]c3n[nH]c(CC(=O)[O-])n3)cs2)cc1 ZINC000737194042 600532920 /nfs/dbraw/zinc/53/29/20/600532920.db2.gz LIDBVHZZVZAELW-UHFFFAOYSA-N -2 3 373.394 2.206 20 0 FEADHL O=C([O-])Cc1nc([N-]C(=O)c2csc(-c3cccc(Cl)c3)n2)n[nH]1 ZINC000739899522 600535669 /nfs/dbraw/zinc/53/56/69/600535669.db2.gz QFTVAZJPXKDICA-UHFFFAOYSA-N -2 3 363.786 2.461 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3CCC[C@H](C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000738830277 600812013 /nfs/dbraw/zinc/81/20/13/600812013.db2.gz ZNTWBGSGVDSYLG-ZDUSSCGKSA-N -2 3 356.382 2.486 20 0 FEADHL Cc1nc(C)c(CCC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c(=O)[n-]1 ZINC000738848590 600848346 /nfs/dbraw/zinc/84/83/46/600848346.db2.gz XDQIVILKSFELRM-ZDUSSCGKSA-N -2 3 355.394 2.337 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2COc3ccccc32)c1F ZINC000324940006 601233433 /nfs/dbraw/zinc/23/34/33/601233433.db2.gz QCIOXMAFRNLWSZ-SNVBAGLBSA-N -2 3 355.318 2.075 20 0 FEADHL CCC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCOCC1 ZINC000392893991 601238937 /nfs/dbraw/zinc/23/89/37/601238937.db2.gz KXUFGVYGMGUPBV-UHFFFAOYSA-N -2 3 363.382 2.148 20 0 FEADHL CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cs1 ZINC000831500658 601523830 /nfs/dbraw/zinc/52/38/30/601523830.db2.gz LFJBLWFDLZTUNP-MRVPVSSYSA-N -2 3 374.415 2.166 20 0 FEADHL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000237543538 601608466 /nfs/dbraw/zinc/60/84/66/601608466.db2.gz QSZAQADEIOKHLA-XHDPSFHLSA-N -2 3 351.362 2.115 20 0 FEADHL O=C([O-])c1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1F ZINC000833314623 601642708 /nfs/dbraw/zinc/64/27/08/601642708.db2.gz VMESJVIMHXFYHE-UHFFFAOYSA-N -2 3 358.369 2.188 20 0 FEADHL Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)CO2 ZINC000832961670 602001361 /nfs/dbraw/zinc/00/13/61/602001361.db2.gz JBKQKXJGAHFKIC-LLVKDONJSA-N -2 3 369.345 2.383 20 0 FEADHL CO[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1Cl ZINC000831519463 602007958 /nfs/dbraw/zinc/00/79/58/602007958.db2.gz PANNOJCBRUABRP-LBPRGKRZSA-N -2 3 359.787 2.297 20 0 FEADHL O=C([O-])N1CCC([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000166934581 602314457 /nfs/dbraw/zinc/31/44/57/602314457.db2.gz LLGSNXNAPHFYBK-UHFFFAOYSA-N -2 3 370.324 2.265 20 0 FEADHL O=C([O-])N1CCC[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000740508217 602650766 /nfs/dbraw/zinc/65/07/66/602650766.db2.gz ZHPIALDZYPIQJU-SECBINFHSA-N -2 3 352.865 2.460 20 0 FEADHL C[C@H](NC(=O)[O-])c1ccc(CN/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000825403409 604281501 /nfs/dbraw/zinc/28/15/01/604281501.db2.gz WOLGGFUNRBDNFU-UEMWTREESA-N -2 3 365.389 2.416 20 0 FEADHL O=C([O-])N1CC([N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000833278952 604413525 /nfs/dbraw/zinc/41/35/25/604413525.db2.gz ZKXVWKZAIZSPKM-UHFFFAOYSA-N -2 3 373.843 2.104 20 0 FEADHL C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@@H]1C(=O)[O-] ZINC000828362000 604539679 /nfs/dbraw/zinc/53/96/79/604539679.db2.gz NQSRDEOAGROSPL-WPRPVWTQSA-N -2 3 357.204 2.017 20 0 FEADHL CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C12CCCCC2 ZINC000581546480 605043487 /nfs/dbraw/zinc/04/34/87/605043487.db2.gz QWOJTRLHEKWADW-RYUDHWBXSA-N -2 3 374.484 2.248 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1CO ZINC000833662635 605185570 /nfs/dbraw/zinc/18/55/70/605185570.db2.gz ISLDFQDSDDCQSB-UHFFFAOYSA-N -2 3 365.407 2.385 20 0 FEADHL CN(C(=O)[O-])[C@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000827858003 605189828 /nfs/dbraw/zinc/18/98/28/605189828.db2.gz JGHFCODINOURDW-JTQLQIEISA-N -2 3 372.219 2.048 20 0 FEADHL C[C@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833548424 605198309 /nfs/dbraw/zinc/19/83/09/605198309.db2.gz KAICXPLHHMXQIC-IUODEOHRSA-N -2 3 364.423 2.092 20 0 FEADHL C[C@@H](OCCC[N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccccc1 ZINC000582358221 605301534 /nfs/dbraw/zinc/30/15/34/605301534.db2.gz LZIZLLIXIAOMNN-LLVKDONJSA-N -2 3 370.452 2.288 20 0 FEADHL O=C([O-])NCc1nc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n[nH]1 ZINC000832729974 605353215 /nfs/dbraw/zinc/35/32/15/605353215.db2.gz MONZGVPDHVYHPG-UHFFFAOYSA-N -2 3 373.394 2.040 20 0 FEADHL O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000823044284 607220250 /nfs/dbraw/zinc/22/02/50/607220250.db2.gz RBRTWCXOTOANNL-UHFFFAOYSA-N -2 3 368.378 2.314 20 0 FEADHL O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000823044284 607220251 /nfs/dbraw/zinc/22/02/51/607220251.db2.gz RBRTWCXOTOANNL-UHFFFAOYSA-N -2 3 368.378 2.314 20 0 FEADHL O=S(=O)([N-]c1c[nH]nc1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826492652 608057776 /nfs/dbraw/zinc/05/77/76/608057776.db2.gz WSZBWJBTJBRFMC-UHFFFAOYSA-N -2 3 367.394 2.058 20 0 FEADHL O=S(=O)([N-]c1c[nH]nc1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826492652 608057777 /nfs/dbraw/zinc/05/77/77/608057777.db2.gz WSZBWJBTJBRFMC-UHFFFAOYSA-N -2 3 367.394 2.058 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000826289336 608227799 /nfs/dbraw/zinc/22/77/99/608227799.db2.gz WFNDDJSIAIIJEV-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL CCCOc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000825342959 608527920 /nfs/dbraw/zinc/52/79/20/608527920.db2.gz ZHEXDWOMTNFINN-UHFFFAOYSA-N -2 3 359.411 2.456 20 0 FEADHL COc1ccc(-c2nc(SC[C@@H](C)OC)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000826181602 609449082 /nfs/dbraw/zinc/44/90/82/609449082.db2.gz GONCAVLUQJWOIU-SECBINFHSA-N -2 3 374.426 2.165 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)nn1[C@H](C)C1CC1 ZINC000826271624 609469468 /nfs/dbraw/zinc/46/94/68/609469468.db2.gz ZKLMBAKTYPXPGZ-LLVKDONJSA-N -2 3 373.442 2.143 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)nn1[C@H](C)C1CC1 ZINC000826271624 609469470 /nfs/dbraw/zinc/46/94/70/609469470.db2.gz ZKLMBAKTYPXPGZ-LLVKDONJSA-N -2 3 373.442 2.143 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])c(F)cc1Br ZINC000563352426 674876359 /nfs/dbraw/zinc/87/63/59/674876359.db2.gz HBPSKBTXQRYVDQ-SSDOTTSWSA-N -2 3 354.197 2.038 20 0 FEADHL Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)[N-]n1c(=O)[n-][nH]c1=O ZINC000816734057 675076143 /nfs/dbraw/zinc/07/61/43/675076143.db2.gz XZBMFQFYAXKETA-UHFFFAOYSA-N -2 3 351.775 2.159 20 0 FEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCC#N)c1 ZINC000042794416 670169213 /nfs/dbraw/zinc/16/92/13/670169213.db2.gz LNDXWIIOMJVYRW-UHFFFAOYSA-N -2 3 362.363 2.102 20 0 FEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2ccc[nH]c2=O)c1 ZINC000066813839 670448580 /nfs/dbraw/zinc/44/85/80/670448580.db2.gz RSTUFKYWMAGZMI-UHFFFAOYSA-N -2 3 363.178 2.181 20 0 FEADHL CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000571204705 670835315 /nfs/dbraw/zinc/83/53/15/670835315.db2.gz RUOONQKWJQVNPW-IUCAKERBSA-N -2 3 350.487 2.184 20 0 FEADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC(C)(C)C ZINC000565949802 675163561 /nfs/dbraw/zinc/16/35/61/675163561.db2.gz YGUONXUEDLHALA-CABZTGNLSA-N -2 3 361.416 2.013 20 0 FEADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000573079820 671079494 /nfs/dbraw/zinc/07/94/94/671079494.db2.gz KPWSAEMGWZKTGM-RQJHMYQMSA-N -2 3 370.652 2.490 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])Oc1cccc(C)c1 ZINC000574570743 671255725 /nfs/dbraw/zinc/25/57/25/671255725.db2.gz OEYPYNPWIYUPSL-NSHDSACASA-N -2 3 370.452 2.286 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000575745085 671317416 /nfs/dbraw/zinc/31/74/16/671317416.db2.gz GNIQGCUVTSZNIS-IUODEOHRSA-N -2 3 365.407 2.424 20 0 FEADHL C[C@]1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCCC[C@H]1C(=O)[O-] ZINC000576940068 671405908 /nfs/dbraw/zinc/40/59/08/671405908.db2.gz BNXNMLVFSRYOLK-GWCFXTLKSA-N -2 3 366.361 2.412 20 0 FEADHL C[C@@]1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000576940071 671405939 /nfs/dbraw/zinc/40/59/39/671405939.db2.gz BNXNMLVFSRYOLK-ZWNOBZJWSA-N -2 3 366.361 2.412 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2cccc(Cl)c2)C(=O)[O-])s1 ZINC000579061672 671709172 /nfs/dbraw/zinc/70/91/72/671709172.db2.gz FANPUBLZFDGRDY-NSHDSACASA-N -2 3 360.844 2.079 20 0 FEADHL CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC000580057522 671779586 /nfs/dbraw/zinc/77/95/86/671779586.db2.gz NZDYXLMXCICOOH-UHFFFAOYSA-N -2 3 364.423 2.341 20 0 FEADHL CC(C)Cc1ncc([N-]S(=O)(=O)Cc2ccccc2CC(=O)[O-])cn1 ZINC000580983945 671852862 /nfs/dbraw/zinc/85/28/62/671852862.db2.gz CDKXUMJERUICIO-UHFFFAOYSA-N -2 3 363.439 2.244 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cccnc1C(F)(F)F ZINC000581511670 671905523 /nfs/dbraw/zinc/90/55/23/671905523.db2.gz XEDNOXHZGGIHHD-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])c(F)cc1Br ZINC000583309565 672083083 /nfs/dbraw/zinc/08/30/83/672083083.db2.gz VHQVKHGOHMARTR-MRVPVSSYSA-N -2 3 368.224 2.428 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(OC)cc2)s1 ZINC000681555618 672671462 /nfs/dbraw/zinc/67/14/62/672671462.db2.gz DVPKOFRVUVVTDO-GFCCVEGCSA-N -2 3 370.452 2.208 20 0 FEADHL C[C@@H](CSCC[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000592448608 672804286 /nfs/dbraw/zinc/80/42/86/672804286.db2.gz OHLBXPBSMHMCHQ-QMMMGPOBSA-N -2 3 355.840 2.211 20 0 FEADHL Cc1nc(C=Cc2cnn(CC(F)(F)F)c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443445277 673223778 /nfs/dbraw/zinc/22/37/78/673223778.db2.gz QXHFEKFKISQQSS-RQOWECAXSA-N -2 3 356.304 2.437 20 0 FEADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000542841710 673609849 /nfs/dbraw/zinc/60/98/49/673609849.db2.gz QZOUAEBEKAMELR-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2CC(=O)[O-])cc1F ZINC000547571648 673865896 /nfs/dbraw/zinc/86/58/96/673865896.db2.gz ACEYMDYFEKXYJY-UHFFFAOYSA-N -2 3 355.362 2.379 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)s1 ZINC000547590000 673869586 /nfs/dbraw/zinc/86/95/86/673869586.db2.gz XKCWIUOMXVIBOM-SECBINFHSA-N -2 3 368.274 2.351 20 0 FEADHL O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548027504 673916054 /nfs/dbraw/zinc/91/60/54/673916054.db2.gz FRQKJWUIQHYGRB-AWEZNQCLSA-N -2 3 373.352 2.468 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Cc1ccccn1 ZINC000548200151 673933268 /nfs/dbraw/zinc/93/32/68/673933268.db2.gz DYDUJZZZSIUION-SNVBAGLBSA-N -2 3 372.805 2.096 20 0 FEADHL O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548203240 673933778 /nfs/dbraw/zinc/93/37/78/673933778.db2.gz VJNDSCWSXYCLFW-CYBMUJFWSA-N -2 3 359.325 2.078 20 0 FEADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548212510 673935431 /nfs/dbraw/zinc/93/54/31/673935431.db2.gz NKXPCWJSQQBCPM-SMDDNHRTSA-N -2 3 351.346 2.416 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](Cc1ccco1)C(=O)[O-] ZINC000548225543 673937821 /nfs/dbraw/zinc/93/78/21/673937821.db2.gz OFLYQSWCGIHMDM-ZDUSSCGKSA-N -2 3 367.354 2.448 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1c(F)cccc1F ZINC000548588433 673976781 /nfs/dbraw/zinc/97/67/81/673976781.db2.gz OWWQXIHCHYXBKN-CYBMUJFWSA-N -2 3 363.288 2.347 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]CC[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000548684883 673986822 /nfs/dbraw/zinc/98/68/22/673986822.db2.gz GDVADAZIYAZUFN-ZDUSSCGKSA-N -2 3 368.480 2.317 20 0 FEADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000548768238 673993835 /nfs/dbraw/zinc/99/38/35/673993835.db2.gz JEMUTAHIZOGUNG-VIFPVBQESA-N -2 3 352.334 2.022 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(F)c2)cc1C(=O)[O-] ZINC000567609574 675306162 /nfs/dbraw/zinc/30/61/62/675306162.db2.gz PXEITTOPAMZFDZ-SECBINFHSA-N -2 3 357.359 2.171 20 0 FEADHL CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)no1 ZINC000820187433 675342061 /nfs/dbraw/zinc/34/20/61/675342061.db2.gz ATKQXGMVOWSWGK-UHFFFAOYSA-N -2 3 368.806 2.432 20 0 FEADHL CC(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)no1 ZINC000820187433 675342062 /nfs/dbraw/zinc/34/20/62/675342062.db2.gz ATKQXGMVOWSWGK-UHFFFAOYSA-N -2 3 368.806 2.432 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](Cc2cccc(Cl)c2)C(=O)[O-])o1 ZINC000568638284 675388492 /nfs/dbraw/zinc/38/84/92/675388492.db2.gz SZXZKBANZHQVPI-LBPRGKRZSA-N -2 3 357.815 2.463 20 0 FEADHL Cc1csc(C2([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)CCCC2)n1 ZINC000568745323 675397281 /nfs/dbraw/zinc/39/72/81/675397281.db2.gz ATKUXAQVWAIFPO-UHFFFAOYSA-N -2 3 356.425 2.491 20 0 FEADHL COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000568863076 675406262 /nfs/dbraw/zinc/40/62/62/675406262.db2.gz ZRGRDGFHHUYYMW-UHFFFAOYSA-N -2 3 353.396 2.286 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c1Cl ZINC000826303758 675685866 /nfs/dbraw/zinc/68/58/66/675685866.db2.gz DFVGDPYGAGSASY-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1Cl ZINC000826303758 675685867 /nfs/dbraw/zinc/68/58/67/675685867.db2.gz DFVGDPYGAGSASY-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=S(=O)(Cc1cccc(F)c1)[N-]c1ccc(F)cc1-c1nn[n-]n1 ZINC000826486456 675689261 /nfs/dbraw/zinc/68/92/61/675689261.db2.gz CUDPGBTXRBSYIO-UHFFFAOYSA-N -2 3 351.338 2.087 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1scnc1C(=O)[O-])Oc1cccc(F)c1 ZINC000645988285 677276471 /nfs/dbraw/zinc/27/64/71/677276471.db2.gz MOBBGOSXYXADDJ-JTQLQIEISA-N -2 3 374.415 2.116 20 0 FEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c1 ZINC000761265227 680717410 /nfs/dbraw/zinc/71/74/10/680717410.db2.gz RLJZIDOGSDSJJU-QMMMGPOBSA-N -2 3 368.238 2.397 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000761477166 680724658 /nfs/dbraw/zinc/72/46/58/680724658.db2.gz JDKAFZLTJFAYLL-UHFFFAOYSA-N -3 3 369.326 2.032 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]Cc1cccc(OC2CC2)c1F ZINC000656718784 677812402 /nfs/dbraw/zinc/81/24/02/677812402.db2.gz CMTWYKGFHILATM-UHFFFAOYSA-N -2 3 372.399 2.000 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C1CCC2(CC2(F)F)CC1 ZINC000656729007 677818756 /nfs/dbraw/zinc/81/87/56/677818756.db2.gz RXSWWVZZGDBHRU-UHFFFAOYSA-N -2 3 352.384 2.088 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)COc2cccc(C)c2)oc1C(=O)[O-] ZINC000663418219 678733961 /nfs/dbraw/zinc/73/39/61/678733961.db2.gz BVIGFKSNAXMGOY-LBPRGKRZSA-N -2 3 353.396 2.340 20 0 FEADHL COc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663422220 678734733 /nfs/dbraw/zinc/73/47/33/678734733.db2.gz CABXOJHIQBFBPJ-NSHDSACASA-N -2 3 369.395 2.041 20 0 FEADHL CC1(C)C[C@@]1([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1 ZINC000663436115 678740751 /nfs/dbraw/zinc/74/07/51/678740751.db2.gz DFZWEUYXWWTOOW-OAHLLOKOSA-N -2 3 352.437 2.445 20 0 FEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CC2=CCOCC2)c1 ZINC000840893654 680850223 /nfs/dbraw/zinc/85/02/23/680850223.db2.gz PCIHCUQMAKIZMM-UHFFFAOYSA-N -2 3 366.222 2.317 20 0 FEADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000837291464 680582367 /nfs/dbraw/zinc/58/23/67/680582367.db2.gz FROLOIAIQJDMDC-ZETCQYMHSA-N -2 3 361.807 2.044 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(F)cc1F ZINC000768057031 680936551 /nfs/dbraw/zinc/93/65/51/680936551.db2.gz ZPRWNMCVYAOYKK-UHFFFAOYSA-N -2 3 361.297 2.397 20 0 FEADHL O=C([O-])[C@@H](CC1CCOCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000776603658 681414877 /nfs/dbraw/zinc/41/48/77/681414877.db2.gz WRKXGQBGLVHSLN-GFCCVEGCSA-N -2 3 365.810 2.027 20 0 FEADHL O=C([O-])C1(NC(=O)NCc2ccc([O-])c(Br)c2)CCCC1 ZINC000780688067 681860366 /nfs/dbraw/zinc/86/03/66/681860366.db2.gz WYOULCAOUDENKT-UHFFFAOYSA-N -2 3 357.204 2.351 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](COC(C)C)C(=O)[O-] ZINC000863416001 683719521 /nfs/dbraw/zinc/71/95/21/683719521.db2.gz AJTQLLLRIXLVNH-LBPRGKRZSA-N -2 3 359.375 2.037 20 0 FEADHL O=C([O-])[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000899942095 690444985 /nfs/dbraw/zinc/44/49/85/690444985.db2.gz GBPFYPZBNTXXDA-NXEZZACHSA-N -2 3 366.361 2.270 20 0 FEADHL CC(C)[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C(=O)[O-] ZINC000901453614 690648488 /nfs/dbraw/zinc/64/84/88/690648488.db2.gz KGEPIQZKAWECON-QMMMGPOBSA-N -2 3 351.147 2.161 20 0 FEADHL CC1(C)COc2c(S(=O)(=O)[N-]c3cc([O-])c(F)cc3F)cnn2C1 ZINC000901930966 690716017 /nfs/dbraw/zinc/71/60/17/690716017.db2.gz JOMWNVMUEISQTO-UHFFFAOYSA-N -2 3 359.354 2.086 20 0 FEADHL O=C([O-])C1(NC(=O)c2cc([O-])cc(Br)c2)CCSCC1 ZINC000909349798 691810883 /nfs/dbraw/zinc/81/08/83/691810883.db2.gz PDPLXWNOAYOZNE-UHFFFAOYSA-N -2 3 360.229 2.235 20 0 FEADHL O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)c1cc([O-])cc(Br)c1 ZINC000910248568 691906402 /nfs/dbraw/zinc/90/64/02/691906402.db2.gz ZFLKHHRCCCSKFB-NOZJJQNGSA-N -2 3 372.215 2.154 20 0 FEADHL O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)c1cc([O-])cc(Br)c1 ZINC000910248572 691906448 /nfs/dbraw/zinc/90/64/48/691906448.db2.gz ZFLKHHRCCCSKFB-ZANVPECISA-N -2 3 372.215 2.154 20 0 FEADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000819088315 675259367 /nfs/dbraw/zinc/25/93/67/675259367.db2.gz GHABKQNDQUKMMO-OIBJUYFYSA-N -2 3 355.243 2.412 20 0 FEADHL COc1cc(NC(=O)c2ccc(C)cc2[O-])ccc1[N-]S(C)(=O)=O ZINC000031370157 539906669 /nfs/dbraw/zinc/90/66/69/539906669.db2.gz UNUOEQVSRKDZRZ-UHFFFAOYSA-N -2 3 350.396 2.333 20 0 FEADHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000036960366 539995660 /nfs/dbraw/zinc/99/56/60/539995660.db2.gz WQWVAIPEULTTKU-ZETCQYMHSA-N -2 3 356.263 2.288 20 0 FEADHL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000068216444 541563998 /nfs/dbraw/zinc/56/39/98/541563998.db2.gz DHJPNGHMQFRMCH-JTQLQIEISA-N -2 3 360.391 2.078 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C2CCC2)C2CCC2)s1 ZINC000551914596 674172202 /nfs/dbraw/zinc/17/22/02/674172202.db2.gz BQUHFYMYOZNCLW-AWEZNQCLSA-N -2 3 358.485 2.399 20 0 FEADHL CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000184839135 327885372 /nfs/dbraw/zinc/88/53/72/327885372.db2.gz XXXWIIXUJHGPKB-ZCFIWIBFSA-N -2 3 354.197 2.363 20 0 FEADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000035085611 324486092 /nfs/dbraw/zinc/48/60/92/324486092.db2.gz PKCZGTFDLUPNAR-ZETCQYMHSA-N -2 3 356.263 2.432 20 0 FEADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000136259487 326651279 /nfs/dbraw/zinc/65/12/79/326651279.db2.gz WNIPSLQFCSVXCK-JTQLQIEISA-N -2 3 368.224 2.366 20 0 FEADHL COCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000273663059 329882727 /nfs/dbraw/zinc/88/27/27/329882727.db2.gz IGULRWLLYKQYDR-SSDOTTSWSA-N -2 3 356.227 2.395 20 0 FEADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)C(C)C ZINC000273822599 329894789 /nfs/dbraw/zinc/89/47/89/329894789.db2.gz VLDGVOZRJIWMAZ-NSHDSACASA-N -2 3 353.799 2.127 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000274933695 329994316 /nfs/dbraw/zinc/99/43/16/329994316.db2.gz PLENIPJBRUWCNP-LBPRGKRZSA-N -2 3 358.803 2.439 20 0 FEADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)c(F)c1)CC(=O)[O-] ZINC000275052130 330005693 /nfs/dbraw/zinc/00/56/93/330005693.db2.gz SOAPBUUPVASLGL-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL COC[C@H](C)S(=O)(=O)[N-]c1c(C)c(Br)ccc1C(=O)[O-] ZINC000275061021 330006570 /nfs/dbraw/zinc/00/65/70/330006570.db2.gz UTFVWIKCFBFBMT-ZETCQYMHSA-N -2 3 366.233 2.232 20 0 FEADHL CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000276383732 330147363 /nfs/dbraw/zinc/14/73/63/330147363.db2.gz ZIDBAOYREHNZJD-NKWVEPMBSA-N -2 3 356.227 2.393 20 0 FEADHL O=S(=O)([N-]Cc1ncccc1[O-])c1cc(Br)ccc1F ZINC000480731993 561215460 /nfs/dbraw/zinc/21/54/60/561215460.db2.gz RHQCBCSDIPQUGZ-UHFFFAOYSA-N -2 3 361.192 2.167 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(OCCF)c2)ccc1[O-] ZINC000481585030 561236769 /nfs/dbraw/zinc/23/67/69/561236769.db2.gz HEBFMUYKLLSGBU-UHFFFAOYSA-N -2 3 368.386 2.500 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cc3c(c(C(=O)[O-])c2)OCCO3)ccc1F ZINC000484965152 561309478 /nfs/dbraw/zinc/30/94/78/561309478.db2.gz AEFGPGXRNAXLAK-UHFFFAOYSA-N -2 3 367.354 2.404 20 0 FEADHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Br ZINC000230096325 548757605 /nfs/dbraw/zinc/75/76/05/548757605.db2.gz QDCWUWBIBKSRTI-UHFFFAOYSA-N -2 3 374.216 2.288 20 0 FEADHL CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1cccc(F)c1 ZINC000237180181 548806479 /nfs/dbraw/zinc/80/64/79/548806479.db2.gz PNMXULKTPDNEAE-ZDUSSCGKSA-N -2 3 372.443 2.167 20 0 FEADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000489418541 561410633 /nfs/dbraw/zinc/41/06/33/561410633.db2.gz MRMYROKEQHJPGJ-MRVPVSSYSA-N -2 3 373.228 2.139 20 0 FEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C ZINC000261699054 549744015 /nfs/dbraw/zinc/74/40/15/549744015.db2.gz NYEIREMQLDILGX-NSHDSACASA-N -2 3 371.436 2.075 20 0 FEADHL CCOc1ccc(C[C@H](CNC(=O)c2ccc3n[n-]nc3c2)C(=O)[O-])cc1 ZINC000262956973 549865989 /nfs/dbraw/zinc/86/59/89/549865989.db2.gz JQWKBHSXCKVIEL-CQSZACIVSA-N -2 3 368.393 2.030 20 0 FEADHL O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000274931369 550565560 /nfs/dbraw/zinc/56/55/60/550565560.db2.gz OZRDGDAIIMGBCP-VIFPVBQESA-N -2 3 364.217 2.068 20 0 FEADHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)C1 ZINC000277362994 550661419 /nfs/dbraw/zinc/66/14/19/550661419.db2.gz YOZRRSFEZLFGGJ-IONNQARKSA-N -2 3 353.293 2.152 20 0 FEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])c(C)c1Cl ZINC000278703148 550812970 /nfs/dbraw/zinc/81/29/70/550812970.db2.gz NNFCFRJXWANLPP-LURJTMIESA-N -2 3 369.848 2.028 20 0 FEADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000287135138 551968101 /nfs/dbraw/zinc/96/81/01/551968101.db2.gz CBHKWOGJLYUUNB-SECBINFHSA-N -2 3 354.350 2.268 20 0 FEADHL COc1cccc(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1[O-] ZINC000288192531 552107875 /nfs/dbraw/zinc/10/78/75/552107875.db2.gz NPTHCCRKDNUBNT-KWBADKCTSA-N -2 3 374.359 2.318 20 0 FEADHL COc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000288410425 552149064 /nfs/dbraw/zinc/14/90/64/552149064.db2.gz ZGNSWTKWWBOUCL-BHDSKKPTSA-N -2 3 374.359 2.318 20 0 FEADHL O=C([N-]OCC1CC1)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000292853587 552765139 /nfs/dbraw/zinc/76/51/39/552765139.db2.gz VTIMGHWZVLPSAL-UHFFFAOYSA-N -2 3 368.440 2.407 20 0 FEADHL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CC[C@@H]1CCOC1 ZINC000297010420 553241508 /nfs/dbraw/zinc/24/15/08/553241508.db2.gz RMXXGQIFHYPSLO-LBPRGKRZSA-N -2 3 357.428 2.342 20 0 FEADHL Cc1nc(C=Cc2cccc(O[C@H](C)C(=O)[O-])c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504733718 561661803 /nfs/dbraw/zinc/66/18/03/561661803.db2.gz VNCYJAJNGWSULV-XUIVZRPNSA-N -3 3 358.350 2.140 20 0 FEADHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000322071923 553767585 /nfs/dbraw/zinc/76/75/85/553767585.db2.gz DFKVJDAJIDFNON-AAEUAGOBSA-N -2 3 362.791 2.170 20 0 FEADHL CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000331183205 554227086 /nfs/dbraw/zinc/22/70/86/554227086.db2.gz IEORSNIGTOLFFW-ZDUSSCGKSA-N -2 3 364.464 2.054 20 0 FEADHL Cc1cnc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c([O-])c1 ZINC000332532445 554465273 /nfs/dbraw/zinc/46/52/73/554465273.db2.gz GWGPJLMRGNSAKG-UHFFFAOYSA-N -2 3 355.394 2.292 20 0 FEADHL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000510107428 561825043 /nfs/dbraw/zinc/82/50/43/561825043.db2.gz XHNMGTHJTCWUSM-UHFFFAOYSA-N -3 3 373.390 2.385 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000514789620 561979804 /nfs/dbraw/zinc/97/98/04/561979804.db2.gz MIXFVHVRWKVCQH-MFKMUULPSA-N -2 3 354.453 2.062 20 0 FEADHL CC[C@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000517411722 562089229 /nfs/dbraw/zinc/08/92/29/562089229.db2.gz MHKHTHGMWHIOCL-MADCSZMMSA-N -2 3 352.815 2.087 20 0 FEADHL COCC1(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)CC1 ZINC000518777954 562118249 /nfs/dbraw/zinc/11/82/49/562118249.db2.gz DGKVHDGFVIQSKE-UHFFFAOYSA-N -2 3 364.217 2.068 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)o1 ZINC000519395079 562130958 /nfs/dbraw/zinc/13/09/58/562130958.db2.gz ZNMXKGXAXVPGLR-JSGCOSHPSA-N -2 3 351.380 2.176 20 0 FEADHL Cn1cnc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)c1 ZINC000520925876 562166143 /nfs/dbraw/zinc/16/61/43/562166143.db2.gz PWGIEAAQCRDZGD-AWEZNQCLSA-N -2 3 365.455 2.212 20 0 FEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3cccc(Cl)c32)s1 ZINC000377428623 558338518 /nfs/dbraw/zinc/33/85/18/558338518.db2.gz BLNVPGPWVZDESW-SNVBAGLBSA-N -2 3 373.839 2.441 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1C(=O)[O-] ZINC000522359960 562197409 /nfs/dbraw/zinc/19/74/09/562197409.db2.gz RPSGAZANGCSVTD-QHCPKHFHSA-N -2 3 367.448 2.373 20 0 FEADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C(=O)[O-] ZINC000527052021 562274711 /nfs/dbraw/zinc/27/47/11/562274711.db2.gz ZJRFSJPFNVQXRQ-NSHDSACASA-N -2 3 360.844 2.350 20 0 FEADHL COc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C(=O)[O-])ccc1F ZINC000527052750 562274788 /nfs/dbraw/zinc/27/47/88/562274788.db2.gz OBSZEZYQGVVKIZ-UHFFFAOYSA-N -2 3 368.386 2.399 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(N)=O)c2)cc1C(=O)[O-] ZINC000431181959 559835541 /nfs/dbraw/zinc/83/55/41/559835541.db2.gz MZZXOLDJIFNZLO-UHFFFAOYSA-N -2 3 367.358 2.124 20 0 FEADHL CCc1nnsc1C(=O)[N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436912713 559956345 /nfs/dbraw/zinc/95/63/45/559956345.db2.gz HVLQFVOJCNUZBS-UHFFFAOYSA-N -2 3 350.791 2.497 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)c1 ZINC000438810814 559984101 /nfs/dbraw/zinc/98/41/01/559984101.db2.gz KWKKNXXNGFNVPE-UHFFFAOYSA-N -3 3 359.363 2.281 20 0 FEADHL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000446960757 560154223 /nfs/dbraw/zinc/15/42/23/560154223.db2.gz PTAXOJYIMOSFPY-UHFFFAOYSA-N -2 3 373.431 2.010 20 0 FEADHL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1O ZINC000462099739 560797032 /nfs/dbraw/zinc/79/70/32/560797032.db2.gz CZOKYPXVGOGABW-UHFFFAOYSA-N -2 3 366.782 2.038 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc(C(=O)[O-])c1C ZINC000471116577 560998629 /nfs/dbraw/zinc/99/86/29/560998629.db2.gz NSVWNVXXCKBUKU-UHFFFAOYSA-N -2 3 366.370 2.040 20 0 FEADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000530744365 562422536 /nfs/dbraw/zinc/42/25/36/562422536.db2.gz PYILVBAFOYOBHB-MRVPVSSYSA-N -2 3 374.622 2.050 20 0 FEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1C(=O)[O-] ZINC000534882522 562544550 /nfs/dbraw/zinc/54/45/50/562544550.db2.gz ZJBGWMLZLIITDV-UHFFFAOYSA-N -2 3 366.326 2.480 20 0 FEADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000541910583 562623137 /nfs/dbraw/zinc/62/31/37/562623137.db2.gz UZTFYLNXQCDSCM-SNVBAGLBSA-N -2 3 368.224 2.366 20 0 FEADHL CO[C@H](C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F)c1ccccc1 ZINC000546252178 562635435 /nfs/dbraw/zinc/63/54/35/562635435.db2.gz LNMGTJMLIOAJBQ-CQSZACIVSA-N -2 3 367.398 2.498 20 0 FEADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000806638811 674384579 /nfs/dbraw/zinc/38/45/79/674384579.db2.gz JLSLDRAQMRYPCS-SECBINFHSA-N -2 3 371.308 2.256 20 0 FEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)C1CC1 ZINC000737225279 598948604 /nfs/dbraw/zinc/94/86/04/598948604.db2.gz AWOLZNTXPFFIGY-NSHDSACASA-N -2 3 373.442 2.143 20 0 FEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)C1CC1 ZINC000737225279 598948605 /nfs/dbraw/zinc/94/86/05/598948605.db2.gz AWOLZNTXPFFIGY-NSHDSACASA-N -2 3 373.442 2.143 20 0 FEADHL Cc1c([N-]S(=O)(=O)c2ccc(F)cc2F)cccc1-c1nn[n-]n1 ZINC000822129642 607255356 /nfs/dbraw/zinc/25/53/56/607255356.db2.gz MZKVZPKNTGPANM-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000564919547 599775281 /nfs/dbraw/zinc/77/52/81/599775281.db2.gz FCDXCNSIVUOYGS-ZDUSSCGKSA-N -2 3 365.411 2.321 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)c(C)c1 ZINC000558061090 674481660 /nfs/dbraw/zinc/48/16/60/674481660.db2.gz ICXPEBRUZZQUQE-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL COCc1c(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)sc2cccc(F)c21 ZINC000737830234 600536120 /nfs/dbraw/zinc/53/61/20/600536120.db2.gz WSKNVRMRFCOGLY-UHFFFAOYSA-N -2 3 364.358 2.184 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1C(=O)[O-] ZINC000326963434 600541343 /nfs/dbraw/zinc/54/13/43/600541343.db2.gz DOZPZWIJZNKVAZ-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL COC(=O)c1sc2[n-]c(CSC[C@@H](C)C(=O)[O-])nc(=O)c2c1C ZINC000737722788 600605729 /nfs/dbraw/zinc/60/57/29/600605729.db2.gz CBMCTFFOJWQONF-ZCFIWIBFSA-N -2 3 356.425 2.034 20 0 FEADHL CC[C@](C)([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000828700596 600730654 /nfs/dbraw/zinc/73/06/54/600730654.db2.gz OYROZMABGXFXSK-JTQLQIEISA-N -2 3 356.263 2.351 20 0 FEADHL O=C([O-])CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CCOCC1 ZINC000833249082 601046827 /nfs/dbraw/zinc/04/68/27/601046827.db2.gz ZXEVWPFPHRJCLS-UHFFFAOYSA-N -2 3 357.366 2.147 20 0 FEADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000830232239 601127314 /nfs/dbraw/zinc/12/73/14/601127314.db2.gz KNRCYJYGIAHUAB-UHFFFAOYSA-N -3 3 365.363 2.152 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]CCCOc2ccc(C)cc2)cc1C(=O)[O-] ZINC000570798311 601219690 /nfs/dbraw/zinc/21/96/90/601219690.db2.gz XTKDMIJHSVKQAE-UHFFFAOYSA-N -2 3 353.396 2.342 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)cc1C(=O)[O-] ZINC000567498366 601222442 /nfs/dbraw/zinc/22/24/42/601222442.db2.gz SNXKVBMUXRFUIG-UHFFFAOYSA-N -2 3 370.330 2.240 20 0 FEADHL Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833019927 601237161 /nfs/dbraw/zinc/23/71/61/601237161.db2.gz HROBURUSKNOXAS-ZETCQYMHSA-N -2 3 374.365 2.177 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC000728266470 601330019 /nfs/dbraw/zinc/33/00/19/601330019.db2.gz VIULZDVJBQFXNZ-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)CCO2 ZINC000832852640 601362717 /nfs/dbraw/zinc/36/27/17/601362717.db2.gz DIRBRJFFKOEKKZ-UHFFFAOYSA-N -2 3 362.407 2.323 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CCO3)cc1C(=O)[O-] ZINC000832955911 601363171 /nfs/dbraw/zinc/36/31/71/601363171.db2.gz UZHKEOZSCXQOFF-UHFFFAOYSA-N -2 3 362.407 2.323 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000566182448 601394422 /nfs/dbraw/zinc/39/44/22/601394422.db2.gz FEYHBHRRTGRAGT-LBPRGKRZSA-N -2 3 358.803 2.439 20 0 FEADHL O=C([O-])COc1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1 ZINC000833253334 601439172 /nfs/dbraw/zinc/43/91/72/601439172.db2.gz COPZAAPQLVZCGE-UHFFFAOYSA-N -2 3 374.303 2.466 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)sc1Br ZINC000137200905 601613554 /nfs/dbraw/zinc/61/35/54/601613554.db2.gz YPJPAWHFWRJYRP-QMMMGPOBSA-N -2 3 368.274 2.351 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000832699531 601714949 /nfs/dbraw/zinc/71/49/49/601714949.db2.gz KGFVGLLZXSWINB-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL O=C([O-])N1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000740512586 601991596 /nfs/dbraw/zinc/99/15/96/601991596.db2.gz NYDFMUVCWYHLTH-VIFPVBQESA-N -2 3 350.799 2.147 20 0 FEADHL O=C([O-])NCCc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000740672693 601998467 /nfs/dbraw/zinc/99/84/67/601998467.db2.gz PRNYVYPDFWBYOP-UHFFFAOYSA-N -2 3 370.377 2.253 20 0 FEADHL CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000739238737 602138727 /nfs/dbraw/zinc/13/87/27/602138727.db2.gz TZLXWLNSCRRERF-ZUZCIYMTSA-N -2 3 358.398 2.366 20 0 FEADHL O=C([O-])N1CCC[C@H](C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)C1 ZINC000740475809 602263604 /nfs/dbraw/zinc/26/36/04/602263604.db2.gz CGCUOBKRIHRUFS-LBPRGKRZSA-N -2 3 366.381 2.348 20 0 FEADHL Cc1ccc2c(=O)c(C(=O)N3CCC(CN(C)C(=O)[O-])CC3)c[n-]c2n1 ZINC000740155687 602407715 /nfs/dbraw/zinc/40/77/15/602407715.db2.gz UDJMMLQNKOWODA-UHFFFAOYSA-N -2 3 358.398 2.106 20 0 FEADHL Cc1nc(C)c(CC(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)c(=O)[n-]1 ZINC000740217019 602542517 /nfs/dbraw/zinc/54/25/17/602542517.db2.gz IRORWXOVCHPUIY-UHFFFAOYSA-N -2 3 356.382 2.016 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)Nc2cccc(CNC(=O)[O-])c2)c([O-])c1 ZINC000740108033 602593088 /nfs/dbraw/zinc/59/30/88/602593088.db2.gz TYMOYZRMZKMKKA-UHFFFAOYSA-N -2 3 371.393 2.227 20 0 FEADHL O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000739925860 603239182 /nfs/dbraw/zinc/23/91/82/603239182.db2.gz DZZAKLRRTQDGOP-VIFPVBQESA-N -2 3 370.324 2.265 20 0 FEADHL O=C([O-])N[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)Cc1ccccc1 ZINC000832114274 603455136 /nfs/dbraw/zinc/45/51/36/603455136.db2.gz XAUTYTLADIRGKZ-VIFPVBQESA-N -2 3 357.292 2.031 20 0 FEADHL O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)Nc1cccc(-c3nnn[n-]3)c1)C2 ZINC000831307920 603972210 /nfs/dbraw/zinc/97/22/10/603972210.db2.gz KOULNSKPJBFFLI-FTNCPSPGSA-N -2 3 356.386 2.116 20 0 FEADHL O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)Nc1cccc(-c3nn[n-]n3)c1)C2 ZINC000831307920 603972213 /nfs/dbraw/zinc/97/22/13/603972213.db2.gz KOULNSKPJBFFLI-FTNCPSPGSA-N -2 3 356.386 2.116 20 0 FEADHL C[C@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824697160 604295271 /nfs/dbraw/zinc/29/52/71/604295271.db2.gz ZSEFIAWHOUYEHS-DGCLKSJQSA-N -2 3 358.402 2.221 20 0 FEADHL C[C@H](CC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824697160 604295273 /nfs/dbraw/zinc/29/52/73/604295273.db2.gz ZSEFIAWHOUYEHS-DGCLKSJQSA-N -2 3 358.402 2.221 20 0 FEADHL CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000827021835 604513407 /nfs/dbraw/zinc/51/34/07/604513407.db2.gz KMRJIXWUZDMXKV-LBPRGKRZSA-N -2 3 359.382 2.392 20 0 FEADHL O=C([O-])N[C@@H]1CCC[C@@H]2CN(Cn3[n-]c(-c4ccccn4)nc3=S)C[C@H]21 ZINC000834186157 605330029 /nfs/dbraw/zinc/33/00/29/605330029.db2.gz VJNRYNZCMOXPFD-JHJVBQTASA-N -2 3 374.470 2.328 20 0 FEADHL CCCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)C1CCN(C(=O)[O-])CC1 ZINC000826862373 605814187 /nfs/dbraw/zinc/81/41/87/605814187.db2.gz FSELDXTWJMUQPJ-UHFFFAOYSA-N -2 3 364.446 2.113 20 0 FEADHL COc1cc(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)cc(OC)c1[O-] ZINC000833885541 605941165 /nfs/dbraw/zinc/94/11/65/605941165.db2.gz KQKNRCAWKVLKTO-UHFFFAOYSA-N -2 3 352.387 2.060 20 0 FEADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000820698011 606885890 /nfs/dbraw/zinc/88/58/90/606885890.db2.gz PBJWRBYUXLXXRE-PSASIEDQSA-N -2 3 357.386 2.002 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCCCC1 ZINC000820438510 606891727 /nfs/dbraw/zinc/89/17/27/606891727.db2.gz QXMDPUBLYAYPMJ-SECBINFHSA-N -2 3 371.413 2.392 20 0 FEADHL O=S(=O)([N-]c1cc(F)ccc1O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823583671 607033918 /nfs/dbraw/zinc/03/39/18/607033918.db2.gz XSSQGDNRDYQJKI-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL O=S(=O)([N-]c1cc(F)ccc1O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823583671 607033920 /nfs/dbraw/zinc/03/39/20/607033920.db2.gz XSSQGDNRDYQJKI-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1CC ZINC000825716745 607933475 /nfs/dbraw/zinc/93/34/75/607933475.db2.gz AIALAWUKLUUDRQ-UHFFFAOYSA-N -2 3 373.438 2.498 20 0 FEADHL O=S(=O)([N-][C@@H]1CC12CCCCC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487968 608155987 /nfs/dbraw/zinc/15/59/87/608155987.db2.gz FRSOAOABLJCTAF-GFCCVEGCSA-N -2 3 369.397 2.146 20 0 FEADHL CSc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000826230611 608396457 /nfs/dbraw/zinc/39/64/57/608396457.db2.gz BIJJEJIJYGRWLT-UHFFFAOYSA-N -2 3 362.440 2.093 20 0 FEADHL CSc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000826230611 608396458 /nfs/dbraw/zinc/39/64/58/608396458.db2.gz BIJJEJIJYGRWLT-UHFFFAOYSA-N -2 3 362.440 2.093 20 0 FEADHL O=S(=O)([N-]c1cc(C(F)(F)F)ccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826492455 609523043 /nfs/dbraw/zinc/52/30/43/609523043.db2.gz LUKWIJYLNXZAOB-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL O=S(=O)([N-]c1cc(C(F)(F)F)ccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826492455 609523044 /nfs/dbraw/zinc/52/30/44/609523044.db2.gz LUKWIJYLNXZAOB-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000055572242 670351948 /nfs/dbraw/zinc/35/19/48/670351948.db2.gz VFEMDQILFAJBEH-UHFFFAOYSA-N -2 3 365.367 2.293 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cccc(Br)c2F)CCC1 ZINC000570300644 670692860 /nfs/dbraw/zinc/69/28/60/670692860.db2.gz XYNOEXNXEHQUCU-UHFFFAOYSA-N -2 3 366.208 2.121 20 0 FEADHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000574653429 671265091 /nfs/dbraw/zinc/26/50/91/671265091.db2.gz BRJOQJVBJXYHEM-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1F ZINC000576721856 671389892 /nfs/dbraw/zinc/38/98/92/671389892.db2.gz DOKATJRPDLEUSO-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1F ZINC000576721856 671389895 /nfs/dbraw/zinc/38/98/95/671389895.db2.gz DOKATJRPDLEUSO-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(F)F ZINC000579659988 671751105 /nfs/dbraw/zinc/75/11/05/671751105.db2.gz CUZRJINIKINGBG-RXMQYKEDSA-N -2 3 367.317 2.401 20 0 FEADHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)c1nccs1 ZINC000184941655 672512886 /nfs/dbraw/zinc/51/28/86/672512886.db2.gz VISKVSRBMATXGY-UHFFFAOYSA-N -2 3 362.379 2.333 20 0 FEADHL C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000185078531 672518023 /nfs/dbraw/zinc/51/80/23/672518023.db2.gz RETCAELGQAXNNX-SNVBAGLBSA-N -2 3 372.393 2.301 20 0 FEADHL O=C([O-])Cc1ccc(CC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000681572064 672674500 /nfs/dbraw/zinc/67/45/00/672674500.db2.gz QOVFXQQISKPTHO-UHFFFAOYSA-N -2 3 373.352 2.252 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]CCSC[C@H](C)C(=O)[O-])cc1F ZINC000592451042 672805130 /nfs/dbraw/zinc/80/51/30/672805130.db2.gz QHSUYYRQPZZPRU-VIFPVBQESA-N -2 3 353.412 2.005 20 0 FEADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000261762762 672902552 /nfs/dbraw/zinc/90/25/52/672902552.db2.gz XZVRFARVFCOLOV-CPCISQLKSA-N -2 3 368.224 2.366 20 0 FEADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000466337008 673309707 /nfs/dbraw/zinc/30/97/07/673309707.db2.gz JFVPWXHSVAWWMN-BLLLJJGKSA-N -2 3 360.211 2.209 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)c1 ZINC000539399830 673488278 /nfs/dbraw/zinc/48/82/78/673488278.db2.gz DARTZUDHFMLVTF-UHFFFAOYSA-N -2 3 359.407 2.446 20 0 FEADHL CCCSC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)[O-] ZINC000600652274 673785901 /nfs/dbraw/zinc/78/59/01/673785901.db2.gz SMAYZEBGVLDDAH-SECBINFHSA-N -2 3 353.412 2.148 20 0 FEADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000548203049 673933866 /nfs/dbraw/zinc/93/38/66/673933866.db2.gz LMNVHMSTTJZSEN-JTQLQIEISA-N -2 3 368.224 2.366 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C1CCC1 ZINC000548567211 673973776 /nfs/dbraw/zinc/97/37/76/673973776.db2.gz CHDNWXDRESXUPI-CYBMUJFWSA-N -2 3 352.437 2.342 20 0 FEADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000566620561 675229866 /nfs/dbraw/zinc/22/98/66/675229866.db2.gz KZSYTLWENIIPAU-SNVBAGLBSA-N -2 3 354.350 2.268 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1NC(C)=O ZINC000678110097 679715769 /nfs/dbraw/zinc/71/57/69/679715769.db2.gz LRYSQNMOSJAULL-UHFFFAOYSA-N -2 3 354.359 2.299 20 0 FEADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC000830784666 677060269 /nfs/dbraw/zinc/06/02/69/677060269.db2.gz XRXJETMZEMWFLM-CQSZACIVSA-N -2 3 364.751 2.258 20 0 FEADHL Cc1cc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc2[nH]c1=O ZINC000647919555 677308497 /nfs/dbraw/zinc/30/84/97/677308497.db2.gz DHGKNQASFCPZFL-UHFFFAOYSA-N -2 3 358.375 2.336 20 0 FEADHL COc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000663418644 678733984 /nfs/dbraw/zinc/73/39/84/678733984.db2.gz KSASZWKQZKFIRX-NSHDSACASA-N -2 3 369.395 2.041 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCc2nc3c(s2)CCCC3)oc1C(=O)[O-] ZINC000663422532 678734819 /nfs/dbraw/zinc/73/48/19/678734819.db2.gz KPSQONPLIBLPTQ-UHFFFAOYSA-N -2 3 370.452 2.143 20 0 FEADHL CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C12CCCC2 ZINC000663421979 678734875 /nfs/dbraw/zinc/73/48/75/678734875.db2.gz AECJCRPNUFQJAR-NEPJUHHUSA-N -2 3 357.428 2.302 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2nc(C(C)(C)C)no2)oc1C(=O)[O-] ZINC000663423635 678735664 /nfs/dbraw/zinc/73/56/64/678735664.db2.gz CXSQHLINGDCHRD-QMMMGPOBSA-N -2 3 357.388 2.006 20 0 FEADHL Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(Cc3c(F)ccc([O-])c3F)C2)cn1 ZINC000874048087 685278768 /nfs/dbraw/zinc/27/87/68/685278768.db2.gz IUEVRCQXGFHZPY-QWRGUYRKSA-N -2 3 351.353 2.094 20 0 FEADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844787856 681082296 /nfs/dbraw/zinc/08/22/96/681082296.db2.gz 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/nfs/dbraw/zinc/12/33/46/562123346.db2.gz LMMUIHRQDDPKSN-UHFFFAOYSA-N -2 3 374.340 2.320 20 0 FEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc4c3CCCC4)ccc21 ZINC000519305952 562128967 /nfs/dbraw/zinc/12/89/67/562128967.db2.gz DYKDAFSQJQTTPL-UHFFFAOYSA-N -2 3 356.403 2.250 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C1CC1 ZINC000521431974 562176266 /nfs/dbraw/zinc/17/62/66/562176266.db2.gz FNYCVMYAEGEBDI-GFCCVEGCSA-N -2 3 352.437 2.141 20 0 FEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1 ZINC000383717357 558605277 /nfs/dbraw/zinc/60/52/77/558605277.db2.gz JJSOBCWXZQBWBK-UHFFFAOYSA-N -2 3 363.391 2.276 20 0 FEADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000526951163 562270585 /nfs/dbraw/zinc/27/05/85/562270585.db2.gz SLQXYIQAKVLMDH-UHFFFAOYSA-N -2 3 366.214 2.280 20 0 FEADHL CCc1ncc(C[N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)o1 ZINC000414345865 559157638 /nfs/dbraw/zinc/15/76/38/559157638.db2.gz UDFDKGASFUUWQD-UHFFFAOYSA-N -2 3 374.802 2.076 20 0 FEADHL C[C@]1(c2cccc(NC(=O)c3cc(Cl)ccc3[O-])c2)NC(=O)[N-]C1=O ZINC000436509574 559943761 /nfs/dbraw/zinc/94/37/61/559943761.db2.gz DGJJYDVPHOIRIA-QGZVFWFLSA-N -2 3 359.769 2.353 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)ccc1[O-] ZINC000436714424 559949866 /nfs/dbraw/zinc/94/98/66/559949866.db2.gz IAPNDYGLJPQPRQ-SNVBAGLBSA-N -2 3 365.411 2.147 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c1 ZINC000444422108 560113459 /nfs/dbraw/zinc/11/34/59/560113459.db2.gz FNBOEZOFCKTQDF-UHFFFAOYSA-N -3 3 365.392 2.343 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C2CC(C)C2)c(F)c1 ZINC000451265307 560296970 /nfs/dbraw/zinc/29/69/70/560296970.db2.gz BIPUOCVOWACXLM-UHFFFAOYSA-N -2 3 364.464 2.054 20 0 FEADHL CSc1nc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n[n-]1 ZINC000466384229 560885570 /nfs/dbraw/zinc/88/55/70/560885570.db2.gz RRRPNOTZALCAAP-UHFFFAOYSA-N -2 3 352.363 2.487 20 0 FEADHL COc1cc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)ccc1F ZINC000471625808 561009043 /nfs/dbraw/zinc/00/90/43/561009043.db2.gz ODPDSNJNNQISRO-UHFFFAOYSA-N -2 3 374.415 2.007 20 0 FEADHL CCC[C@H]([N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F)C(=O)[O-] ZINC000530135963 562399339 /nfs/dbraw/zinc/39/93/39/562399339.db2.gz BZKIZQVAIFSOMI-QMMMGPOBSA-N -2 3 371.333 2.125 20 0 FEADHL O=C([O-])c1c(Br)cccc1[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000530144499 562399823 /nfs/dbraw/zinc/39/98/23/562399823.db2.gz FUSSLGOZCIXLEI-QMMMGPOBSA-N -2 3 364.217 2.068 20 0 FEADHL Cc1cc(NC(=O)c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)ccc1C(=O)[O-] ZINC000532001869 562463701 /nfs/dbraw/zinc/46/37/01/562463701.db2.gz BRDZDKZCUNWLKZ-IBGZPJMESA-N -2 3 367.361 2.000 20 0 FEADHL Cc1nn2cc(S(=O)(=O)[N-]c3cccc([O-])c3F)cnc2c1Cl ZINC000535054433 562549841 /nfs/dbraw/zinc/54/98/41/562549841.db2.gz LUFRXWJWTDTYFA-UHFFFAOYSA-N -2 3 356.766 2.337 20 0 FEADHL O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000536308920 562574180 /nfs/dbraw/zinc/57/41/80/562574180.db2.gz VWCIHDFHAWXFJC-GFCCVEGCSA-N -2 3 374.340 2.075 20 0 FEADHL C[C@H]([N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)c1ncc(C(=O)[O-])s1 ZINC000563148634 568284498 /nfs/dbraw/zinc/28/44/98/568284498.db2.gz WXUAQGJQCPHSJE-YUMQZZPRSA-N -2 3 354.400 2.257 20 0 FEADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000644855610 568579767 /nfs/dbraw/zinc/57/97/67/568579767.db2.gz RAZQJGZXBMIYBA-MNOVXSKESA-N -2 3 366.361 2.412 20 0 FEADHL CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736654881 598929376 /nfs/dbraw/zinc/92/93/76/598929376.db2.gz LXDSJYCHNVVPAC-UHFFFAOYSA-N -2 3 359.411 2.375 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccnc1OC(C)C ZINC000737301472 598930406 /nfs/dbraw/zinc/93/04/06/598930406.db2.gz OZZJNVHGUADNJD-UHFFFAOYSA-N -2 3 374.426 2.158 20 0 FEADHL CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000735843865 599196611 /nfs/dbraw/zinc/19/66/11/599196611.db2.gz CDXVQXBGAWWOEG-UHFFFAOYSA-N -2 3 374.426 2.097 20 0 FEADHL CC(C)(C)c1cnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000819966015 599232103 /nfs/dbraw/zinc/23/21/03/599232103.db2.gz SFTYYRCGTUAUCE-UHFFFAOYSA-N -2 3 364.456 2.422 20 0 FEADHL CC(C)(C)c1cnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000819966015 599232106 /nfs/dbraw/zinc/23/21/06/599232106.db2.gz SFTYYRCGTUAUCE-UHFFFAOYSA-N -2 3 364.456 2.422 20 0 FEADHL CCc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000821499631 599232839 /nfs/dbraw/zinc/23/28/39/599232839.db2.gz NYZQEKWZIUPSLK-UHFFFAOYSA-N -2 3 370.847 2.340 20 0 FEADHL CCc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000821499631 599232842 /nfs/dbraw/zinc/23/28/42/599232842.db2.gz NYZQEKWZIUPSLK-UHFFFAOYSA-N -2 3 370.847 2.340 20 0 FEADHL Cn1ccc2ccc([N-]S(=O)(=O)c3ccccc3-c3nnn[n-]3)cc21 ZINC000737613430 599237390 /nfs/dbraw/zinc/23/73/90/599237390.db2.gz OIZDBZWDERHJQQ-UHFFFAOYSA-N -2 3 354.395 2.159 20 0 FEADHL Cn1ccc2ccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)cc21 ZINC000737613430 599237393 /nfs/dbraw/zinc/23/73/93/599237393.db2.gz OIZDBZWDERHJQQ-UHFFFAOYSA-N -2 3 354.395 2.159 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cccc(C(F)(F)F)c1 ZINC000823582948 599233840 /nfs/dbraw/zinc/23/38/40/599233840.db2.gz DRKKDIZUBIHBQA-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735963818 598437284 /nfs/dbraw/zinc/43/72/84/598437284.db2.gz NYSJJJQMNUTWRK-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL CC(C)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735963818 598437285 /nfs/dbraw/zinc/43/72/85/598437285.db2.gz NYSJJJQMNUTWRK-UHFFFAOYSA-N -2 3 367.822 2.098 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccccn2)o1 ZINC000740173394 599766783 /nfs/dbraw/zinc/76/67/83/599766783.db2.gz LRFUDLCOYGOLOR-INIZCTEOSA-N -2 3 358.375 2.441 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)O[C@@H](C(=O)[O-])c2ccccc2)c([O-])c1 ZINC000738514931 599789366 /nfs/dbraw/zinc/78/93/66/599789366.db2.gz NNJNNZHRAQNUJG-QGZVFWFLSA-N -2 3 357.362 2.190 20 0 FEADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCC(=O)[O-])cc3)ccc2O1 ZINC000736824836 599938559 /nfs/dbraw/zinc/93/85/59/599938559.db2.gz GBDFCMSMUMCZNF-NSHDSACASA-N -2 3 363.391 2.274 20 0 FEADHL O=C([O-])CC[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccc1 ZINC000739662400 599938931 /nfs/dbraw/zinc/93/89/31/599938931.db2.gz BUDPTPATPAGSBN-NWNNTGRJSA-N -2 3 350.374 2.493 20 0 FEADHL O=C([O-])CC[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000139445057 600362542 /nfs/dbraw/zinc/36/25/42/600362542.db2.gz GQALHGGAMHXNCK-AWEZNQCLSA-N -2 3 351.362 2.259 20 0 FEADHL O=C([O-])CCCc1nnc([N-]C(=O)c2ccc(Cn3cccn3)o2)s1 ZINC000739712416 600539038 /nfs/dbraw/zinc/53/90/38/600539038.db2.gz UPVMDJVUEGYHTB-UHFFFAOYSA-N -2 3 361.383 2.036 20 0 FEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC000739886338 600679237 /nfs/dbraw/zinc/67/92/37/600679237.db2.gz AWVXGVADZWDORT-UHFFFAOYSA-N -3 3 371.317 2.091 20 0 FEADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000794915149 600764904 /nfs/dbraw/zinc/76/49/04/600764904.db2.gz QRRSJIUMIJITKK-QMMMGPOBSA-N -2 3 355.243 2.414 20 0 FEADHL CCC(CC)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000317581709 600790085 /nfs/dbraw/zinc/79/00/85/600790085.db2.gz PTHKJLDCQPWYOI-UHFFFAOYSA-N -2 3 350.780 2.170 20 0 FEADHL CO[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1cccc(Cl)c1 ZINC000831519178 600797599 /nfs/dbraw/zinc/79/75/99/600797599.db2.gz LXWBGACZOUIQQI-GFCCVEGCSA-N -2 3 359.787 2.297 20 0 FEADHL COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000327639539 600887510 /nfs/dbraw/zinc/88/75/10/600887510.db2.gz BFUITRKBGRTDEN-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCOc3ccccc32)cc1C(=O)[O-] ZINC000645960869 601219806 /nfs/dbraw/zinc/21/98/06/601219806.db2.gz SNVKLCIPAJBOJP-ZDUSSCGKSA-N -2 3 351.380 2.478 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(C)cc2)cc1C(=O)[O-] ZINC000575294448 601223014 /nfs/dbraw/zinc/22/30/14/601223014.db2.gz RKFPAFPFDLUTTJ-LLVKDONJSA-N -2 3 353.396 2.340 20 0 FEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)CCO2 ZINC000832867953 601362679 /nfs/dbraw/zinc/36/26/79/601362679.db2.gz HEEIPADYHOUPIO-UHFFFAOYSA-N -2 3 362.407 2.323 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3C[C@H](C)[C@H](C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000832991786 601780891 /nfs/dbraw/zinc/78/08/91/601780891.db2.gz YFNYYWNJLYHFJE-IINYFYTJSA-N -2 3 356.382 2.342 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1ccco1 ZINC000831660399 601842490 /nfs/dbraw/zinc/84/24/90/601842490.db2.gz GWLVCQRPMVOYDL-GFCCVEGCSA-N -2 3 359.787 2.297 20 0 FEADHL COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826178444 607533713 /nfs/dbraw/zinc/53/37/13/607533713.db2.gz YGUBFTXMBGMSCU-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL COc1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826178444 607533715 /nfs/dbraw/zinc/53/37/15/607533715.db2.gz YGUBFTXMBGMSCU-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL CCn1nc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1C1CC1 ZINC000825807008 607535124 /nfs/dbraw/zinc/53/51/24/607535124.db2.gz LVCXFSRXZQCNHK-UHFFFAOYSA-N -2 3 373.442 2.070 20 0 FEADHL CCn1nc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1C1CC1 ZINC000825807008 607535126 /nfs/dbraw/zinc/53/51/26/607535126.db2.gz LVCXFSRXZQCNHK-UHFFFAOYSA-N -2 3 373.442 2.070 20 0 FEADHL Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)CO2 ZINC000832962099 602002787 /nfs/dbraw/zinc/00/27/87/602002787.db2.gz QQICLGCDHGVVAA-ZDUSSCGKSA-N -2 3 351.355 2.244 20 0 FEADHL COc1ccc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(Cl)c1 ZINC000832304422 602166273 /nfs/dbraw/zinc/16/62/73/602166273.db2.gz NBLLSJLJXHLEKH-UHFFFAOYSA-N -2 3 359.787 2.161 20 0 FEADHL CCN(CCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(=O)[O-] ZINC000739435686 602184772 /nfs/dbraw/zinc/18/47/72/602184772.db2.gz JSMCGTBATYBJFD-UHFFFAOYSA-N -2 3 359.386 2.279 20 0 FEADHL CC(C)N(CCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000738847896 602388875 /nfs/dbraw/zinc/38/88/75/602388875.db2.gz GWNSOAFQSGOUEA-UHFFFAOYSA-N -2 3 370.258 2.445 20 0 FEADHL O=C([O-])Nc1cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)ccc1F ZINC000740699754 602551532 /nfs/dbraw/zinc/55/15/32/602551532.db2.gz VSPZSLPXIKDBHI-UHFFFAOYSA-N -2 3 366.326 2.091 20 0 FEADHL O=C([O-])NCc1nc(C(=O)[N-]c2n[nH]c(-c3cccs3)n2)cs1 ZINC000740686431 602712102 /nfs/dbraw/zinc/71/21/02/602712102.db2.gz ZTLKHFYWUMABEG-UHFFFAOYSA-N -2 3 350.385 2.010 20 0 FEADHL O=C([O-])N[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)Cc1ccccc1 ZINC000832113386 603455095 /nfs/dbraw/zinc/45/50/95/603455095.db2.gz CDUOOPGZBGEITQ-LBPRGKRZSA-N -2 3 355.354 2.272 20 0 FEADHL O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)C1 ZINC000832296171 603916402 /nfs/dbraw/zinc/91/64/02/603916402.db2.gz JMALOGHDZUANQC-JGVFFNPUSA-N -2 3 351.313 2.125 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CC[C@@H](NC(=O)[O-])C3)cc2)n1 ZINC000829894588 603957651 /nfs/dbraw/zinc/95/76/51/603957651.db2.gz USXIALMMTPNICV-GXTWGEPZSA-N -2 3 356.382 2.120 20 0 FEADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000828692555 604476265 /nfs/dbraw/zinc/47/62/65/604476265.db2.gz JKUGKDOFPPQMCX-LLVKDONJSA-N -2 3 354.197 2.120 20 0 FEADHL CC(C)Oc1cccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000828898080 605019099 /nfs/dbraw/zinc/01/90/99/605019099.db2.gz FBLSGDIYEJVHEJ-UHFFFAOYSA-N -2 3 356.425 2.107 20 0 FEADHL O=C([O-])N[C@H]1CC[C@@H](C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000832269751 605415600 /nfs/dbraw/zinc/41/56/00/605415600.db2.gz LQFOMKQIZBFZJV-ZJUUUORDSA-N -2 3 357.204 2.207 20 0 FEADHL O=C([O-])N1CC[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000834076672 605426052 /nfs/dbraw/zinc/42/60/52/605426052.db2.gz BPANCZKFHDZORC-QMMMGPOBSA-N -2 3 370.324 2.123 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@H](NC(=O)[O-])C[C@@H]3C)nc2)n1 ZINC000827555971 605492422 /nfs/dbraw/zinc/49/24/22/605492422.db2.gz BOBPDCJMZCVJLV-FZMZJTMJSA-N -2 3 357.414 2.432 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)cc1C(=O)[O-] ZINC000781115680 605783555 /nfs/dbraw/zinc/78/35/55/605783555.db2.gz SRZFMUSNGKUSRY-UHFFFAOYSA-N -2 3 365.363 2.231 20 0 FEADHL O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2[N-]S(=O)(=O)c1cccnc1Cl ZINC000834161831 605995506 /nfs/dbraw/zinc/99/55/06/605995506.db2.gz IEFQPKYAWORNLQ-UYVFGJEYSA-N -2 3 373.862 2.228 20 0 FEADHL O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000834159942 606006249 /nfs/dbraw/zinc/00/62/49/606006249.db2.gz HJFXSRRJHKLUJH-CSCWVGTJSA-N -2 3 369.421 2.473 20 0 FEADHL O=C([O-])NCCOc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000834245634 606072119 /nfs/dbraw/zinc/07/21/19/606072119.db2.gz OUFXDBOJTHYJJX-WJDWOHSUSA-N -2 3 367.361 2.056 20 0 FEADHL O=C([O-])N[C@H](CC(F)F)C(=O)Nc1cc(Br)ccc1[O-] ZINC000834134918 606082317 /nfs/dbraw/zinc/08/23/17/606082317.db2.gz LMECAHZWCSSFIQ-SSDOTTSWSA-N -2 3 353.119 2.385 20 0 FEADHL CCc1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000821492875 606209965 /nfs/dbraw/zinc/20/99/65/606209965.db2.gz YANJNQXHYNKFPK-UHFFFAOYSA-N -2 3 359.411 2.239 20 0 FEADHL O=S(=O)(C=Cc1ccc(F)cc1)[N-]c1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823557980 606211332 /nfs/dbraw/zinc/21/13/32/606211332.db2.gz XYFCESRUTPAVMH-FPLPWBNLSA-N -2 3 361.358 2.124 20 0 FEADHL CC(C)c1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820197104 606385250 /nfs/dbraw/zinc/38/52/50/606385250.db2.gz GLYWUZGSMJWIIF-UHFFFAOYSA-N -2 3 350.429 2.247 20 0 FEADHL CC(C)c1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820197104 606385252 /nfs/dbraw/zinc/38/52/52/606385252.db2.gz GLYWUZGSMJWIIF-UHFFFAOYSA-N -2 3 350.429 2.247 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cnc1Cl ZINC000822209257 606638043 /nfs/dbraw/zinc/63/80/43/606638043.db2.gz ACHXWPFQXDDUTR-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826321033 609264407 /nfs/dbraw/zinc/26/44/07/609264407.db2.gz OBUWNIYOQSAEBG-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL Cc1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826321033 609264408 /nfs/dbraw/zinc/26/44/08/609264408.db2.gz OBUWNIYOQSAEBG-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1-c1nnc[nH]1 ZINC000560359486 674580119 /nfs/dbraw/zinc/58/01/19/674580119.db2.gz ILBIJTPIZVEHOC-UHFFFAOYSA-N -2 3 364.408 2.341 20 0 FEADHL O=C([N-][N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1F ZINC000016148654 670015999 /nfs/dbraw/zinc/01/59/99/670015999.db2.gz WHGHHYBUUJDFJO-UHFFFAOYSA-N -2 3 373.749 2.011 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]Cc1ccccc1OCC1CC1 ZINC000564919515 675076831 /nfs/dbraw/zinc/07/68/31/675076831.db2.gz DINMXYLECJMNPK-UHFFFAOYSA-N -2 3 368.436 2.109 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccc3ccccc3n2)s1 ZINC000055546233 670351548 /nfs/dbraw/zinc/35/15/48/670351548.db2.gz SKCFMPTWZHITIC-UHFFFAOYSA-N -2 3 361.448 2.482 20 0 FEADHL C[C@@]1([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000569358720 670549014 /nfs/dbraw/zinc/54/90/14/670549014.db2.gz JGUULNWTVHASPD-NOZJJQNGSA-N -2 3 366.361 2.412 20 0 FEADHL O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000565654087 675140495 /nfs/dbraw/zinc/14/04/95/675140495.db2.gz HBSALLIDAMRZNR-NWDGAFQWSA-N -2 3 352.437 2.342 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]C2CCN(c3ccc(C(=O)[O-])cc3)CC2)o1 ZINC000571408415 670870810 /nfs/dbraw/zinc/87/08/10/670870810.db2.gz PXXCCZNOKIBFMF-UHFFFAOYSA-N -2 3 364.423 2.234 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccc(Cl)cc2)o1 ZINC000566173202 675189511 /nfs/dbraw/zinc/18/95/11/675189511.db2.gz HXRGDJVZIJFHRY-FZMZJTMJSA-N -2 3 371.798 2.440 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000575850332 671325482 /nfs/dbraw/zinc/32/54/82/671325482.db2.gz GHJVSFMMVIQKOX-VXGBXAGGSA-N -2 3 352.437 2.297 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCCC2)C1 ZINC000578646817 671680193 /nfs/dbraw/zinc/68/01/93/671680193.db2.gz NGNBFPRYGOSPOA-SNVBAGLBSA-N -2 3 360.457 2.002 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1scnc1C(=O)[O-])Oc1ccccc1F ZINC000579588119 671746774 /nfs/dbraw/zinc/74/67/74/671746774.db2.gz YAFVJHWBEDJBLF-VIFPVBQESA-N -2 3 374.415 2.116 20 0 FEADHL Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)o1 ZINC000185038808 672516776 /nfs/dbraw/zinc/51/67/76/672516776.db2.gz TYFTWNOUIIPFBU-UHFFFAOYSA-N -2 3 365.194 2.467 20 0 FEADHL Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)s1 ZINC000185097544 672518634 /nfs/dbraw/zinc/51/86/34/672518634.db2.gz MQSADCUDVMDZHE-SSDOTTSWSA-N -2 3 362.379 2.467 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)NCc2ccccc2)c(Cl)c1 ZINC000189127003 672607991 /nfs/dbraw/zinc/60/79/91/672607991.db2.gz RDAWYRLSZUIJNE-UHFFFAOYSA-N -2 3 353.831 2.341 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1ccc(Br)cc1F)CC(=O)[O-] ZINC000681576557 672675761 /nfs/dbraw/zinc/67/57/61/672675761.db2.gz PQHADUJUUZAVRG-UHFFFAOYSA-N -2 3 368.224 2.367 20 0 FEADHL NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427319157 673210567 /nfs/dbraw/zinc/21/05/67/673210567.db2.gz FDRKZGCSJCARNJ-UHFFFAOYSA-N -2 3 372.761 2.077 20 0 FEADHL CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000540496012 673543179 /nfs/dbraw/zinc/54/31/79/673543179.db2.gz ICJNTYMNRTUWRV-UHFFFAOYSA-N -2 3 365.411 2.343 20 0 FEADHL N#Cc1ccc(F)c(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000547546267 673861198 /nfs/dbraw/zinc/86/11/98/673861198.db2.gz DLUVEAHUPNQORP-UHFFFAOYSA-N -2 3 352.318 2.477 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])s1 ZINC000547617104 673875544 /nfs/dbraw/zinc/87/55/44/673875544.db2.gz HTBDWQWCECHAET-UWVGGRQHSA-N -2 3 363.457 2.093 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-]C[C@H](Cc2cccc(Cl)c2)C(=O)[O-])s1 ZINC000547875837 673895981 /nfs/dbraw/zinc/89/59/81/673895981.db2.gz QZWVTQBHZYXIMB-NSHDSACASA-N -2 3 374.871 2.327 20 0 FEADHL Cc1nc(C[N-]S(=O)(=O)Cc2c(F)cccc2F)sc1C(=O)[O-] ZINC000548208395 673934796 /nfs/dbraw/zinc/93/47/96/673934796.db2.gz SSNHGRWNBYQOGO-UHFFFAOYSA-N -2 3 362.379 2.048 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](Cc2cc(C)cc(C)c2)C(=O)[O-])s1 ZINC000548532775 673966612 /nfs/dbraw/zinc/96/66/12/673966612.db2.gz MLEXSDWQUMSRLI-ZDUSSCGKSA-N -2 3 368.480 2.297 20 0 FEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000548534982 673967177 /nfs/dbraw/zinc/96/71/77/673967177.db2.gz QHWZBPFZWACBFX-ZWNOBZJWSA-N -2 3 371.386 2.038 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1cccnc1 ZINC000548555736 673971128 /nfs/dbraw/zinc/97/11/28/673971128.db2.gz AKPJPLAZIDAMGJ-SNVBAGLBSA-N -2 3 360.844 2.018 20 0 FEADHL CC1CCC([N-]S(=O)(=O)c2cnccc2C(F)(F)F)(C(=O)[O-])CC1 ZINC000548837416 674000149 /nfs/dbraw/zinc/00/01/49/674000149.db2.gz NKQLNBYYOFIEHG-UHFFFAOYSA-N -2 3 366.361 2.412 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])oc1C ZINC000548993764 674010414 /nfs/dbraw/zinc/01/04/14/674010414.db2.gz NQKOZWGCZBLVKI-CYBMUJFWSA-N -2 3 373.427 2.077 20 0 FEADHL CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819834673 675316370 /nfs/dbraw/zinc/31/63/70/675316370.db2.gz RDRKQFHNSMQHEK-UHFFFAOYSA-N -2 3 358.379 2.236 20 0 FEADHL Cc1cc(C)c(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])c(C)c1 ZINC000567797977 675324185 /nfs/dbraw/zinc/32/41/85/675324185.db2.gz GVKFYXIDLFMJED-UHFFFAOYSA-N -2 3 354.453 2.288 20 0 FEADHL CCCc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000825348069 675647641 /nfs/dbraw/zinc/64/76/41/675647641.db2.gz BQSFFJRGXWQVLT-UHFFFAOYSA-N -2 3 368.419 2.216 20 0 FEADHL CCCc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000825348069 675647644 /nfs/dbraw/zinc/64/76/44/675647644.db2.gz BQSFFJRGXWQVLT-UHFFFAOYSA-N -2 3 368.419 2.216 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1C ZINC000825643805 675661997 /nfs/dbraw/zinc/66/19/97/675661997.db2.gz VYGGFEPSYJUQDK-UHFFFAOYSA-N -2 3 359.411 2.375 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)cc1F ZINC000826211410 675683912 /nfs/dbraw/zinc/68/39/12/675683912.db2.gz BKVKIOPAQYNQPL-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1C ZINC000826167158 675684148 /nfs/dbraw/zinc/68/41/48/675684148.db2.gz RKHCSTRPSWHPSH-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c(F)cc1F ZINC000826272662 675685289 /nfs/dbraw/zinc/68/52/89/675685289.db2.gz VNMQJBBIVWGEBA-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1cccc2cnccc21 ZINC000826492938 675689644 /nfs/dbraw/zinc/68/96/44/675689644.db2.gz MIGOUQVLDLZSQC-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL C[C@H]([N-]S(=O)(=O)Cc1ccccc1C(=O)[O-])c1nc(C(C)(C)C)no1 ZINC000829612067 675884844 /nfs/dbraw/zinc/88/48/44/675884844.db2.gz BIEDVKVQIAELED-JTQLQIEISA-N -2 3 367.427 2.246 20 0 FEADHL C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CC[C@H]1C(=O)[O-] ZINC000626754892 676721014 /nfs/dbraw/zinc/72/10/14/676721014.db2.gz ASAFHSVXDKXVPU-MWLCHTKSSA-N -2 3 371.231 2.407 20 0 FEADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000646029895 677277326 /nfs/dbraw/zinc/27/73/26/677277326.db2.gz DWPWAHXMTSGADW-UHFFFAOYSA-N -2 3 354.350 2.412 20 0 FEADHL COC1(C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C(=O)[O-])CCC1 ZINC000650432162 677374075 /nfs/dbraw/zinc/37/40/75/677374075.db2.gz OOWOLPKSKCKPDP-MRVPVSSYSA-N -2 3 353.849 2.092 20 0 FEADHL Cc1ccccc1OCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761264870 680717365 /nfs/dbraw/zinc/71/73/65/680717365.db2.gz FKRADEHKTLIEHK-UHFFFAOYSA-N -2 3 371.361 2.329 20 0 FEADHL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000656163190 677716770 /nfs/dbraw/zinc/71/67/70/677716770.db2.gz QLCOSVZMWBBUBQ-MRVPVSSYSA-N -2 3 363.716 2.450 20 0 FEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])[C@@H]1CCOC1 ZINC000656625150 677791048 /nfs/dbraw/zinc/79/10/48/677791048.db2.gz XELWXHGESAIMKM-RNCFNFMXSA-N -2 3 369.361 2.204 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(OC3CC3)c2F)o1 ZINC000656719634 677813515 /nfs/dbraw/zinc/81/35/15/677813515.db2.gz KWLVHPGVPLNBRS-UHFFFAOYSA-N -2 3 355.343 2.137 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc(F)c1F ZINC000762475308 680750857 /nfs/dbraw/zinc/75/08/57/680750857.db2.gz YTRWEWWIZUQCEL-UHFFFAOYSA-N -2 3 361.297 2.095 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)cc1OC ZINC000663095351 678690232 /nfs/dbraw/zinc/69/02/32/678690232.db2.gz YTEQDDDFPAOVPQ-CYBMUJFWSA-N -2 3 372.443 2.142 20 0 FEADHL COCC[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)c1ccc(C)o1 ZINC000663424646 678735814 /nfs/dbraw/zinc/73/58/14/678735814.db2.gz OEWHRBNLONVIOE-NSHDSACASA-N -2 3 357.384 2.244 20 0 FEADHL COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)c1F ZINC000769890551 680998972 /nfs/dbraw/zinc/99/89/72/680998972.db2.gz NJNZJSGYHTZQGQ-UHFFFAOYSA-N -2 3 373.333 2.238 20 0 FEADHL O=C([O-])C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000776611900 681416499 /nfs/dbraw/zinc/41/64/99/681416499.db2.gz XMIDPCSFNAGWQP-LBPRGKRZSA-N -2 3 354.815 2.099 20 0 FEADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000776615975 681417639 /nfs/dbraw/zinc/41/76/39/681417639.db2.gz NOGUQZZKTJYRJA-WCBMZHEXSA-N -2 3 365.249 2.012 20 0 FEADHL COC(=O)CCc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000786100049 682350456 /nfs/dbraw/zinc/35/04/56/682350456.db2.gz HOLVNLFARYWPHO-UHFFFAOYSA-N -2 3 365.407 2.307 20 0 FEADHL CO[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F)C(F)(F)F ZINC000787250454 682445323 /nfs/dbraw/zinc/44/53/23/682445323.db2.gz XPWUWOXZAQRQHM-SNVBAGLBSA-N -2 3 373.324 2.078 20 0 FEADHL COC(=O)c1sc(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])c(C)c1Cl ZINC000788443174 682530290 /nfs/dbraw/zinc/53/02/90/682530290.db2.gz TZVOQXJAZWNACO-UHFFFAOYSA-N -2 3 369.848 2.028 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(=O)[nH]1 ZINC000790405058 682674080 /nfs/dbraw/zinc/67/40/80/682674080.db2.gz SMVUJYPCNYENCI-UHFFFAOYSA-N -2 3 360.750 2.387 20 0 FEADHL CC(C)=CC[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000864449237 683854936 /nfs/dbraw/zinc/85/49/36/683854936.db2.gz DGSTYWJYXPYJPZ-SECBINFHSA-N -2 3 352.334 2.188 20 0 FEADHL CCC(F)(F)C[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000871995204 684907581 /nfs/dbraw/zinc/90/75/81/684907581.db2.gz NEXPGEZHXXMPIT-UHFFFAOYSA-N -2 3 357.762 2.370 20 0 FEADHL CCC(C)(C)CCS(=O)(=O)[N-]c1cc2c(cc1[O-])n(C)c(=O)n2C ZINC000872372376 684941698 /nfs/dbraw/zinc/94/16/98/684941698.db2.gz XRBUPRJPLDTNMS-UHFFFAOYSA-N -2 3 355.460 2.151 20 0 FEADHL O=C([O-])[C@@H](CC1CCOCC1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000910450154 685057217 /nfs/dbraw/zinc/05/72/17/685057217.db2.gz AZKOYUOAWKJOLR-OAHLLOKOSA-N -2 3 353.390 2.240 20 0 FEADHL O=C(c1cc(Br)c(F)cc1[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898222349 690146401 /nfs/dbraw/zinc/14/64/01/690146401.db2.gz TXDVSHHTKAJCFG-SSDOTTSWSA-N -2 3 370.178 2.352 20 0 FEADHL COc1cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc(OC)c1[O-] ZINC000909493330 691828095 /nfs/dbraw/zinc/82/80/95/691828095.db2.gz MJWGXLLACFGHIL-GFCCVEGCSA-N -2 3 351.399 2.372 20 0 FEADHL O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000910243061 691905352 /nfs/dbraw/zinc/90/53/52/691905352.db2.gz NIQPSQOZRFNOSX-HIFRSBDPSA-N -2 3 353.390 2.240 20 0 FEADHL CCOc1cccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000008029948 539475403 /nfs/dbraw/zinc/47/54/03/539475403.db2.gz MHRTVPQAKAZDCD-UHFFFAOYSA-N -2 3 367.398 2.444 20 0 FEADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000030515865 539883241 /nfs/dbraw/zinc/88/32/41/539883241.db2.gz XTXZUNWPCKJMJX-UHFFFAOYSA-N -2 3 361.379 2.421 20 0 FEADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000030515865 539883244 /nfs/dbraw/zinc/88/32/44/539883244.db2.gz XTXZUNWPCKJMJX-UHFFFAOYSA-N -2 3 361.379 2.421 20 0 FEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC000042791778 540079053 /nfs/dbraw/zinc/07/90/53/540079053.db2.gz WPASAWGYZANNMU-UHFFFAOYSA-N -2 3 373.390 2.385 20 0 FEADHL CC(C)Cc1nnc([N-]C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)s1 ZINC000064309841 541199929 /nfs/dbraw/zinc/19/99/29/541199929.db2.gz JBGPAXBINIOOIM-UHFFFAOYSA-N -2 3 372.447 2.500 20 0 FEADHL Cc1ncc(CNC(=O)N=c2[n-]nc(Cc3ccc(F)cc3)s2)c(=O)[n-]1 ZINC000542374026 541391079 /nfs/dbraw/zinc/39/10/79/541391079.db2.gz SJTQLOBMSZWUSA-UHFFFAOYSA-N -2 3 374.401 2.394 20 0 FEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C(F)F)c3)ccc21 ZINC000068216417 541564211 /nfs/dbraw/zinc/56/42/11/541564211.db2.gz CGSKJYMTUKIZQP-UHFFFAOYSA-N -2 3 352.318 2.309 20 0 FEADHL Cc1nc(C)c(CC(=O)Nc2ccc(Br)cc2[O-])c(=O)[n-]1 ZINC000077022789 542342074 /nfs/dbraw/zinc/34/20/74/542342074.db2.gz FLUZWKRBZHBIAG-UHFFFAOYSA-N -2 3 352.188 2.036 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)c(F)c1 ZINC000057115566 221084189 /nfs/dbraw/zinc/08/41/89/221084189.db2.gz XPVKXDDOGLCXED-UHFFFAOYSA-N -2 3 362.379 2.137 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)CC(=O)[O-] ZINC000147387314 544445376 /nfs/dbraw/zinc/44/53/76/544445376.db2.gz LSWBFFVBAWWARR-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3cccs3)ns2)o1 ZINC000182160579 327763393 /nfs/dbraw/zinc/76/33/93/327763393.db2.gz ZZMPYQJWDHOWGC-UHFFFAOYSA-N -2 3 370.437 2.020 20 0 FEADHL O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000013027010 324373139 /nfs/dbraw/zinc/37/31/39/324373139.db2.gz BCPLVTODAKXEQQ-ZDUSSCGKSA-N -2 3 357.790 2.453 20 0 FEADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)C(=O)[O-] ZINC000232718770 328488157 /nfs/dbraw/zinc/48/81/57/328488157.db2.gz NDZOZJZEULMBFZ-JTQLQIEISA-N -2 3 370.652 2.490 20 0 FEADHL CSC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000169158538 327088229 /nfs/dbraw/zinc/08/82/29/327088229.db2.gz QEOGDTOOVKGZBA-RXMQYKEDSA-N -2 3 374.303 2.239 20 0 FEADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000172897105 327225253 /nfs/dbraw/zinc/22/52/53/327225253.db2.gz TVMHNJKDIZNFEO-UHFFFAOYSA-N -2 3 358.416 2.306 20 0 FEADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1nn(-c2ccccc2F)cc1[O-] ZINC000175226298 327381310 /nfs/dbraw/zinc/38/13/10/327381310.db2.gz MSZRYFQDGFFTAR-UHFFFAOYSA-N -2 3 356.239 2.106 20 0 FEADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1nn(-c2ccccc2F)cc1[O-] ZINC000175226298 327381312 /nfs/dbraw/zinc/38/13/12/327381312.db2.gz MSZRYFQDGFFTAR-UHFFFAOYSA-N -2 3 356.239 2.106 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000262454016 328866755 /nfs/dbraw/zinc/86/67/55/328866755.db2.gz GNWZJNAMVJAWBA-SNVBAGLBSA-N -2 3 370.652 2.490 20 0 FEADHL C[C@@H]1CN(C(=O)c2ccccc2[O-])[C@@H](C)CN1C(=O)c1ccccc1[O-] ZINC000271233425 329675514 /nfs/dbraw/zinc/67/55/14/329675514.db2.gz DREAUFNMHIFNTG-OKILXGFUSA-N -2 3 354.406 2.473 20 0 FEADHL C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000273728633 329886864 /nfs/dbraw/zinc/88/68/64/329886864.db2.gz RNXHQOAEONLEQA-PHDIDXHHSA-N -2 3 354.247 2.143 20 0 FEADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000275026911 330003326 /nfs/dbraw/zinc/00/33/26/330003326.db2.gz PNRQNKNGNXJZHX-SNVBAGLBSA-N -2 3 368.224 2.366 20 0 FEADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000554531242 674321939 /nfs/dbraw/zinc/32/19/39/674321939.db2.gz PNNZPXXTOCZCNV-QMMMGPOBSA-N -2 3 354.350 2.268 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCCC1 ZINC000554531625 674322124 /nfs/dbraw/zinc/32/21/24/674322124.db2.gz UKWBXAUKCAAREO-UHFFFAOYSA-N -2 3 371.308 2.400 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)ccc1[O-] ZINC000480744203 561215782 /nfs/dbraw/zinc/21/57/82/561215782.db2.gz XOXQAVQFZBMBAS-UHFFFAOYSA-N -2 3 372.406 2.337 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000178545525 546809941 /nfs/dbraw/zinc/80/99/41/546809941.db2.gz XAGRSWKABDZVOJ-QMMMGPOBSA-N -2 3 360.844 2.413 20 0 FEADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000179748997 547007884 /nfs/dbraw/zinc/00/78/84/547007884.db2.gz MPXOZDCYIKTHBN-UHFFFAOYSA-N -2 3 373.438 2.379 20 0 FEADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000179748997 547007887 /nfs/dbraw/zinc/00/78/87/547007887.db2.gz MPXOZDCYIKTHBN-UHFFFAOYSA-N -2 3 373.438 2.379 20 0 FEADHL O=C([O-])[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000180345767 547087884 /nfs/dbraw/zinc/08/78/84/547087884.db2.gz LNQRRUIGSPUTMV-LSDHHAIUSA-N -2 3 350.378 2.288 20 0 FEADHL CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccccc2CC(=O)[O-])ccc1F ZINC000486067309 561337305 /nfs/dbraw/zinc/33/73/05/561337305.db2.gz RDJMAZQFXUKRHO-UHFFFAOYSA-N -2 3 366.370 2.077 20 0 FEADHL Cc1ccc(NC(=O)c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)cc1C(=O)[O-] ZINC000486279172 561343083 /nfs/dbraw/zinc/34/30/83/561343083.db2.gz BEXQGMHKYWTKKN-LJQANCHMSA-N -2 3 367.361 2.000 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1ccc2ncccc2c1 ZINC000486893779 561359256 /nfs/dbraw/zinc/35/92/56/561359256.db2.gz LKAXMDLOQFKDQO-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1ccc2ncccc2c1 ZINC000486893779 561359257 /nfs/dbraw/zinc/35/92/57/561359257.db2.gz LKAXMDLOQFKDQO-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000486943361 561359984 /nfs/dbraw/zinc/35/99/84/561359984.db2.gz UEIVRNFHWRFSGW-UHFFFAOYSA-N -2 3 371.827 2.488 20 0 FEADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000230097126 548758032 /nfs/dbraw/zinc/75/80/32/548758032.db2.gz USHFFWLEFONACF-SFYZADRCSA-N -2 3 366.208 2.120 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@@H](C)C(=O)[O-] ZINC000235202640 548766199 /nfs/dbraw/zinc/76/61/99/548766199.db2.gz AEVJCEMNDFKJLZ-RNFRBKRXSA-N -2 3 370.652 2.490 20 0 FEADHL COc1cc(OC)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(OC)c1 ZINC000488245879 561386813 /nfs/dbraw/zinc/38/68/13/561386813.db2.gz CDLWRWREXSCALK-UHFFFAOYSA-N -2 3 357.359 2.358 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000276824281 550600304 /nfs/dbraw/zinc/60/03/04/550600304.db2.gz AEDHMAMJPHMSHN-ZETCQYMHSA-N -2 3 356.625 2.244 20 0 FEADHL O=C([O-])CCCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000287188079 551974537 /nfs/dbraw/zinc/97/45/37/551974537.db2.gz KTPJKUAOQNVAAR-UHFFFAOYSA-N -2 3 359.297 2.258 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)[C@@H]1OCCc2sccc21 ZINC000291973136 552680380 /nfs/dbraw/zinc/68/03/80/552680380.db2.gz TYMAEWCFKZCJGJ-OQPBUACISA-N -2 3 373.477 2.489 20 0 FEADHL CO[C@@H](CS(=O)(=O)[N-]Cc1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000296820062 553216117 /nfs/dbraw/zinc/21/61/17/553216117.db2.gz CURQNUDGPQRQFW-HNNXBMFYSA-N -2 3 353.396 2.093 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])c(C)o1 ZINC000297359837 553283156 /nfs/dbraw/zinc/28/31/56/553283156.db2.gz ZVFSRJRDPJYGJV-VXGBXAGGSA-N -2 3 373.427 2.077 20 0 FEADHL Cc1nc(C=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504733717 561661709 /nfs/dbraw/zinc/66/17/09/561661709.db2.gz VNCYJAJNGWSULV-MLRMMBSGSA-N -3 3 358.350 2.140 20 0 FEADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000311613968 553754588 /nfs/dbraw/zinc/75/45/88/553754588.db2.gz FYLOXTRJAMOVLB-RQJHMYQMSA-N -2 3 370.652 2.490 20 0 FEADHL O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000320289078 553764677 /nfs/dbraw/zinc/76/46/77/553764677.db2.gz IDVDOFJNDHASLI-CYBMUJFWSA-N -2 3 357.790 2.453 20 0 FEADHL O=C([O-])c1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000320738531 553765895 /nfs/dbraw/zinc/76/58/95/553765895.db2.gz AFWKDFSLWGBDGV-SECBINFHSA-N -2 3 353.318 2.324 20 0 FEADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000321113098 553766317 /nfs/dbraw/zinc/76/63/17/553766317.db2.gz WWXRVLKQSHNVMY-KOLCDFICSA-N -2 3 362.791 2.170 20 0 FEADHL O=C([O-])[C@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000324007662 553771132 /nfs/dbraw/zinc/77/11/32/553771132.db2.gz IAEZWRSAMBZIFE-ZDUSSCGKSA-N -2 3 373.789 2.159 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)ccc1C(=O)[O-] ZINC000327628174 553790197 /nfs/dbraw/zinc/79/01/97/553790197.db2.gz OXBIMTODPPNXBZ-UHFFFAOYSA-N -2 3 360.391 2.379 20 0 FEADHL COC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000506706048 561706663 /nfs/dbraw/zinc/70/66/63/561706663.db2.gz DMGONCMFSWITNY-UHFFFAOYSA-N -2 3 363.391 2.210 20 0 FEADHL C[C@@]1(c2ccc(-c3noc(-c4cc(F)ccc4[O-])n3)cc2)NC(=O)[N-]C1=O ZINC000350574739 554798976 /nfs/dbraw/zinc/79/89/76/554798976.db2.gz FJWGHBDYGAAULJ-SFHVURJKSA-N -2 3 368.324 2.303 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1C(N)=O ZINC000512780971 561915034 /nfs/dbraw/zinc/91/50/34/561915034.db2.gz KCBGDWQMODTQHX-UHFFFAOYSA-N -2 3 362.407 2.210 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(C)o1 ZINC000514598916 561968820 /nfs/dbraw/zinc/96/88/20/561968820.db2.gz CZAACGHPDSZNEU-CQSZACIVSA-N -2 3 353.396 2.093 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)c(F)cc1Br ZINC000514825374 561981741 /nfs/dbraw/zinc/98/17/41/561981741.db2.gz SJUXAITVTVIERI-ZKCHVHJHSA-N -2 3 366.208 2.038 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H]1CCCc2ccccc21 ZINC000519828188 562145749 /nfs/dbraw/zinc/14/57/49/562145749.db2.gz RSIMDOUEHUTEKV-LLVKDONJSA-N -2 3 352.437 2.240 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000521620830 562180460 /nfs/dbraw/zinc/18/04/60/562180460.db2.gz MRDWCSAQXHLBHB-GXTWGEPZSA-N -2 3 373.333 2.065 20 0 FEADHL O=C(c1ccc([O-])c(Cl)c1)N1CC(S(=O)(=O)[N-]c2ccccc2)C1 ZINC000378620130 558595136 /nfs/dbraw/zinc/59/51/36/558595136.db2.gz JGFVRBOMRDDDSF-UHFFFAOYSA-N -2 3 366.826 2.312 20 0 FEADHL O=C(N=c1[nH][n-]cc1Br)c1ccc(Br)cc1[O-] ZINC000383497815 558604802 /nfs/dbraw/zinc/60/48/02/558604802.db2.gz XTJXVCGEOQIYTJ-UHFFFAOYSA-N -2 3 360.993 2.893 20 0 FEADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)CC(C)(C)C1 ZINC000408492991 558683644 /nfs/dbraw/zinc/68/36/44/558683644.db2.gz AVDRGBRXJXNUGO-QWRGUYRKSA-N -2 3 350.444 2.225 20 0 FEADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000408505131 558685475 /nfs/dbraw/zinc/68/54/75/558685475.db2.gz WDZOTRVALGBZOU-JHJVBQTASA-N -2 3 362.455 2.369 20 0 FEADHL CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000414340727 559157392 /nfs/dbraw/zinc/15/73/92/559157392.db2.gz KOVNKAQVSVZRAT-UHFFFAOYSA-N -2 3 358.803 2.376 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCOCC2CCCC2)c1 ZINC000414339073 559157412 /nfs/dbraw/zinc/15/74/12/559157412.db2.gz FPPRVRXODYOTQQ-UHFFFAOYSA-N -2 3 359.419 2.317 20 0 FEADHL Cc1ncc(C[N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)o1 ZINC000414354101 559158096 /nfs/dbraw/zinc/15/80/96/559158096.db2.gz UKWKIOZJZSZPRL-UHFFFAOYSA-N -2 3 368.411 2.014 20 0 FEADHL CC[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1)OC ZINC000421161382 559527865 /nfs/dbraw/zinc/52/78/65/559527865.db2.gz XBDRNAGXFJOXOX-VIFPVBQESA-N -2 3 366.233 2.314 20 0 FEADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cnn(C)c3C)c2)n1 ZINC000427115454 559748200 /nfs/dbraw/zinc/74/82/00/559748200.db2.gz BIDXLTWKFIDPIO-UHFFFAOYSA-N -2 3 373.438 2.254 20 0 FEADHL C[C@H](CNC(=O)c1cc(F)ccc1[O-])N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436543986 559944855 /nfs/dbraw/zinc/94/48/55/559944855.db2.gz HUKSJDRKYCWMME-SNVBAGLBSA-N -2 3 364.348 2.267 20 0 FEADHL NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436872527 559955081 /nfs/dbraw/zinc/95/50/81/559955081.db2.gz QFWZRQMKLMNWJE-UHFFFAOYSA-N -2 3 358.375 2.151 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccsc2)c(F)c1 ZINC000438778438 559983493 /nfs/dbraw/zinc/98/34/93/559983493.db2.gz ZUHQIXUHNLPXSG-UHFFFAOYSA-N -2 3 350.418 2.060 20 0 FEADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1F ZINC000446149972 560140803 /nfs/dbraw/zinc/14/08/03/560140803.db2.gz RJGVJINIYHOSKM-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL CC/C=C/C[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451771982 560327632 /nfs/dbraw/zinc/32/76/32/560327632.db2.gz UMDBVNUNAZDSMC-AATRIKPKSA-N -2 3 364.464 2.222 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(C)nn(C)c3c2)ccc1[O-] ZINC000461350045 560767546 /nfs/dbraw/zinc/76/75/46/560767546.db2.gz XWDMXHRGTOXOBT-UHFFFAOYSA-N -2 3 374.422 2.347 20 0 FEADHL CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)ccc21 ZINC000466958134 560900440 /nfs/dbraw/zinc/90/04/40/560900440.db2.gz REZRQAJEOBHVHJ-UHFFFAOYSA-N -2 3 352.343 2.260 20 0 FEADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2coc3cc(F)ccc23)s1 ZINC000475122050 561090832 /nfs/dbraw/zinc/09/08/32/561090832.db2.gz SQXRYBCTCIAEGW-UHFFFAOYSA-N -2 3 356.360 2.047 20 0 FEADHL CCC(C)(C)CS(=O)(=O)[N-]c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000530137380 562399375 /nfs/dbraw/zinc/39/93/75/562399375.db2.gz OPXQPQJYCLNATP-UHFFFAOYSA-N -2 3 356.444 2.069 20 0 FEADHL C[C@@]1(c2cccc(C(=O)Nc3cccc(Cl)c3[O-])c2)NC(=O)[N-]C1=O ZINC000532664853 562484934 /nfs/dbraw/zinc/48/49/34/562484934.db2.gz ZHWDQOOBXQUVMU-KRWDZBQOSA-N -2 3 359.769 2.353 20 0 FEADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000535402211 562557821 /nfs/dbraw/zinc/55/78/21/562557821.db2.gz QZLPZKIQMGAORD-UHFFFAOYSA-N -2 3 353.327 2.111 20 0 FEADHL COCCC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CCCC1 ZINC000545554991 562628802 /nfs/dbraw/zinc/62/88/02/562628802.db2.gz VCMQLEMHBXIGPF-UHFFFAOYSA-N -2 3 359.419 2.399 20 0 FEADHL C[C@@H](CC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000806634411 674384507 /nfs/dbraw/zinc/38/45/07/674384507.db2.gz HCHNASUALWXCMR-ZETCQYMHSA-N -2 3 359.297 2.113 20 0 FEADHL CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(C(=O)[O-])cc2F)ccc1F ZINC000432106059 568418930 /nfs/dbraw/zinc/41/89/30/568418930.db2.gz HFKGLFFGVMOZFZ-UHFFFAOYSA-N -2 3 370.333 2.287 20 0 FEADHL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735499904 598840817 /nfs/dbraw/zinc/84/08/17/598840817.db2.gz SQVFDPVDZSCBOM-UHFFFAOYSA-N -2 3 361.358 2.009 20 0 FEADHL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735499904 598840818 /nfs/dbraw/zinc/84/08/18/598840818.db2.gz SQVFDPVDZSCBOM-UHFFFAOYSA-N -2 3 361.358 2.009 20 0 FEADHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737078550 598841423 /nfs/dbraw/zinc/84/14/23/598841423.db2.gz ZUYFTUVWMOBXQI-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737078550 598841425 /nfs/dbraw/zinc/84/14/25/598841425.db2.gz ZUYFTUVWMOBXQI-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C ZINC000737300448 598976887 /nfs/dbraw/zinc/97/68/87/598976887.db2.gz XWIZPGDAVKQNFM-NSHDSACASA-N -2 3 365.459 2.052 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)C ZINC000737300448 598976889 /nfs/dbraw/zinc/97/68/89/598976889.db2.gz XWIZPGDAVKQNFM-NSHDSACASA-N -2 3 365.459 2.052 20 0 FEADHL CC(C)C([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)C ZINC000820025690 607259435 /nfs/dbraw/zinc/25/94/35/607259435.db2.gz CABUXNPVSBEDOL-UHFFFAOYSA-N -2 3 359.402 2.104 20 0 FEADHL O=S(=O)([N-]c1ccc2ccccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000738340975 599193555 /nfs/dbraw/zinc/19/35/55/599193555.db2.gz ACWVOBBIABHLDG-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000556778297 674419596 /nfs/dbraw/zinc/41/95/96/674419596.db2.gz MSTGVBMLPDIQFR-JTQLQIEISA-N -2 3 366.208 2.120 20 0 FEADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000822240251 599233873 /nfs/dbraw/zinc/23/38/73/599233873.db2.gz ZGHMFQFIBQMKJP-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=S(=O)(C=Cc1ccc(Cl)cc1)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000823556924 599233882 /nfs/dbraw/zinc/23/38/82/599233882.db2.gz BTOVUPQOMZBWBQ-FPLPWBNLSA-N -2 3 362.802 2.328 20 0 FEADHL C[C@](CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)(C(=O)[O-])c1ccccc1 ZINC000735978049 598617487 /nfs/dbraw/zinc/61/74/87/598617487.db2.gz SWTJPVMWRYFDHU-GOSISDBHSA-N -2 3 369.356 2.377 20 0 FEADHL C[C@](CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)(C(=O)[O-])c1ccccc1 ZINC000735978049 598617488 /nfs/dbraw/zinc/61/74/88/598617488.db2.gz SWTJPVMWRYFDHU-GOSISDBHSA-N -2 3 369.356 2.377 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2F)c(C(=O)[O-])s1 ZINC000737679579 599813999 /nfs/dbraw/zinc/81/39/99/599813999.db2.gz BHGCOBUSRWGHSH-UHFFFAOYSA-N -2 3 373.383 2.481 20 0 FEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(F)c1 ZINC000737700348 600170112 /nfs/dbraw/zinc/17/01/12/600170112.db2.gz RBOCAPWHUMJDMG-UHFFFAOYSA-N -2 3 353.327 2.111 20 0 FEADHL C[C@]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)(C(=O)[O-])C1CC1 ZINC000736669643 600238985 /nfs/dbraw/zinc/23/89/85/600238985.db2.gz BEKMGHMLTBXODK-GFCCVEGCSA-N -2 3 355.309 2.376 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c([O-])c1 ZINC000738515219 600365501 /nfs/dbraw/zinc/36/55/01/600365501.db2.gz RNSFZYABTYLMAM-OAHLLOKOSA-N -2 3 368.389 2.036 20 0 FEADHL COc1ccc(N[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1[N-]S(C)(=O)=O ZINC000738040384 600420598 /nfs/dbraw/zinc/42/05/98/600420598.db2.gz TVQVGCOSWVEONH-OAHLLOKOSA-N -2 3 368.386 2.444 20 0 FEADHL CCC(CC)([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000094240491 600790161 /nfs/dbraw/zinc/79/01/61/600790161.db2.gz UTZHCWGDWBCFDB-UHFFFAOYSA-N -2 3 356.263 2.432 20 0 FEADHL CCC(CC)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000316747725 600791001 /nfs/dbraw/zinc/79/10/01/600791001.db2.gz MPMXGINGGKQESP-UHFFFAOYSA-N -2 3 350.780 2.170 20 0 FEADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Oc1ccc(Cl)cc1 ZINC000827508022 600795172 /nfs/dbraw/zinc/79/51/72/600795172.db2.gz TZOVGUVLFMRGSX-SECBINFHSA-N -2 3 359.787 2.377 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000563532372 600800224 /nfs/dbraw/zinc/80/02/24/600800224.db2.gz NZZVUIDYOSDBLN-SNVBAGLBSA-N -2 3 367.427 2.246 20 0 FEADHL COc1ccc(OCCC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000580322605 601218194 /nfs/dbraw/zinc/21/81/94/601218194.db2.gz XWSYYVZQMLVNGN-UHFFFAOYSA-N -2 3 369.395 2.042 20 0 FEADHL COc1ccccc1CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000327965262 601229183 /nfs/dbraw/zinc/22/91/83/601229183.db2.gz WHOSYOJVWITXDK-UHFFFAOYSA-N -2 3 371.361 2.193 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC2Cc3ccccc3C2)c1F ZINC000833293981 601237535 /nfs/dbraw/zinc/23/75/35/601237535.db2.gz KJHLKFHKLRBMRY-UHFFFAOYSA-N -2 3 367.373 2.356 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(C)o1 ZINC000567798418 601261698 /nfs/dbraw/zinc/26/16/98/601261698.db2.gz OKSNWYSIGAGXDM-CQSZACIVSA-N -2 3 353.396 2.093 20 0 FEADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000831585743 601266837 /nfs/dbraw/zinc/26/68/37/601266837.db2.gz PFQBMSLPAGWYRI-GFCCVEGCSA-N -2 3 373.324 2.003 20 0 FEADHL O=C([O-])CC1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCOCC1 ZINC000833206079 601271001 /nfs/dbraw/zinc/27/10/01/601271001.db2.gz NOUJEGZGOKEMCV-UHFFFAOYSA-N -2 3 368.238 2.296 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(C)o1 ZINC000761729149 601288719 /nfs/dbraw/zinc/28/87/19/601288719.db2.gz IJBAFJCEKYAONU-UHFFFAOYSA-N -2 3 372.786 2.100 20 0 FEADHL CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000065833367 601327449 /nfs/dbraw/zinc/32/74/49/601327449.db2.gz KVBMWPBNVUFHBE-UHFFFAOYSA-N -2 3 366.370 2.307 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@](F)(C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000832991023 601407615 /nfs/dbraw/zinc/40/76/15/601407615.db2.gz IEUKJPWXXBYDEN-QGZVFWFLSA-N -2 3 360.345 2.188 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)s1 ZINC000776576468 601613120 /nfs/dbraw/zinc/61/31/20/601613120.db2.gz BGFRQUZXMDOFES-VIFPVBQESA-N -2 3 368.274 2.351 20 0 FEADHL COc1cc(F)c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])cc1OC ZINC000832011173 601861332 /nfs/dbraw/zinc/86/13/32/601861332.db2.gz RSAIDELQBIDOCK-UHFFFAOYSA-N -2 3 373.333 2.481 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c(F)c1 ZINC000833321387 601863568 /nfs/dbraw/zinc/86/35/68/601863568.db2.gz CWEQHUQVKSIFFI-UHFFFAOYSA-N -3 3 357.290 2.162 20 0 FEADHL CC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000824030183 607531792 /nfs/dbraw/zinc/53/17/92/607531792.db2.gz YPHYRPIPGXASCC-UHFFFAOYSA-N -2 3 357.395 2.179 20 0 FEADHL CC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000824030183 607531793 /nfs/dbraw/zinc/53/17/93/607531793.db2.gz YPHYRPIPGXASCC-UHFFFAOYSA-N -2 3 357.395 2.179 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1-c1nnn[n-]1 ZINC000826304156 607537045 /nfs/dbraw/zinc/53/70/45/607537045.db2.gz YWVRKGSYYQKPBA-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1-c1nn[n-]n1 ZINC000826304156 607537047 /nfs/dbraw/zinc/53/70/47/607537047.db2.gz YWVRKGSYYQKPBA-UHFFFAOYSA-N -2 3 365.802 2.335 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC000827076819 602005233 /nfs/dbraw/zinc/00/52/33/602005233.db2.gz IANHQZYADMGZSN-CQSZACIVSA-N -2 3 371.455 2.171 20 0 FEADHL O=C([O-])N(CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000740489284 602045183 /nfs/dbraw/zinc/04/51/83/602045183.db2.gz WDONJADKQYMXPO-UHFFFAOYSA-N -2 3 353.227 2.414 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])cc2)c(C)o1 ZINC000831034368 602252249 /nfs/dbraw/zinc/25/22/49/602252249.db2.gz YJCPHBYGQQTDGG-VIFPVBQESA-N -2 3 367.379 2.112 20 0 FEADHL O=C([O-])N(CC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000740488021 602317439 /nfs/dbraw/zinc/31/74/39/602317439.db2.gz AOKYNOZSNOFEIP-UHFFFAOYSA-N -2 3 370.324 2.265 20 0 FEADHL O=C([O-])N1CC[C@@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000740497646 602456284 /nfs/dbraw/zinc/45/62/84/602456284.db2.gz OMIOHUYCIKWFGI-SECBINFHSA-N -2 3 350.799 2.147 20 0 FEADHL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000740713429 602645864 /nfs/dbraw/zinc/64/58/64/602645864.db2.gz WFXJSLQMWKWPTA-UHFFFAOYSA-N -2 3 350.352 2.349 20 0 FEADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H]3CCN(C(=O)[O-])C3)c2)n1 ZINC000739536950 603222318 /nfs/dbraw/zinc/22/23/18/603222318.db2.gz WYXBRRQKCPAUKF-GFCCVEGCSA-N -2 3 356.382 2.350 20 0 FEADHL O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000739927521 603239178 /nfs/dbraw/zinc/23/91/78/603239178.db2.gz JICCOHOKVBDVJM-LBPRGKRZSA-N -2 3 367.452 2.231 20 0 FEADHL C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824685421 604327846 /nfs/dbraw/zinc/32/78/46/604327846.db2.gz MJTVAQNZJRWBHM-AAEUAGOBSA-N -2 3 358.402 2.221 20 0 FEADHL C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824685421 604327847 /nfs/dbraw/zinc/32/78/47/604327847.db2.gz MJTVAQNZJRWBHM-AAEUAGOBSA-N -2 3 358.402 2.221 20 0 FEADHL CCc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825728764 607694887 /nfs/dbraw/zinc/69/48/87/607694887.db2.gz YTJCJQKRPULCRP-UHFFFAOYSA-N -2 3 364.818 2.278 20 0 FEADHL CCc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825728764 607694889 /nfs/dbraw/zinc/69/48/89/607694889.db2.gz YTJCJQKRPULCRP-UHFFFAOYSA-N -2 3 364.818 2.278 20 0 FEADHL COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000832095942 604633807 /nfs/dbraw/zinc/63/38/07/604633807.db2.gz RUKZACDJIQHVEP-UHFFFAOYSA-N -2 3 373.333 2.481 20 0 FEADHL CCOc1cccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000830099286 604817328 /nfs/dbraw/zinc/81/73/28/604817328.db2.gz ARRAPYZDBODQFM-UHFFFAOYSA-N -2 3 353.396 2.206 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(OC)c1C(=O)[O-] ZINC000833734791 604862097 /nfs/dbraw/zinc/86/20/97/604862097.db2.gz WZUXIKIWCVMOSP-UHFFFAOYSA-N -3 3 371.342 2.048 20 0 FEADHL O=C([O-])COc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1Cl ZINC000833257965 604943041 /nfs/dbraw/zinc/94/30/41/604943041.db2.gz FYAJTOGEJJBPHZ-UHFFFAOYSA-N -2 3 365.725 2.490 20 0 FEADHL C[C@H](OCCC[N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1 ZINC000583438455 605015084 /nfs/dbraw/zinc/01/50/84/605015084.db2.gz LVOSOWOEJGLAGN-NSHDSACASA-N -2 3 370.452 2.288 20 0 FEADHL CC(C)(CC[N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1 ZINC000833457139 605021162 /nfs/dbraw/zinc/02/11/62/605021162.db2.gz RIGAXLIMVOCTKU-UHFFFAOYSA-N -2 3 354.453 2.488 20 0 FEADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C12CCCCC2 ZINC000583991873 605208922 /nfs/dbraw/zinc/20/89/22/605208922.db2.gz AOZDXLXPULZALO-CHWSQXEVSA-N -2 3 357.428 2.384 20 0 FEADHL O=C([O-])N1CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000834077380 605426003 /nfs/dbraw/zinc/42/60/03/605426003.db2.gz IATZBCHQKUHLER-MRVPVSSYSA-N -2 3 353.227 2.272 20 0 FEADHL O=C([O-])N1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000834076657 605428061 /nfs/dbraw/zinc/42/80/61/605428061.db2.gz BDOLXRBWTWCKCT-QMMMGPOBSA-N -2 3 353.227 2.272 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CC[C@@H](NC(=O)[O-])C[C@H]3C)nc2)n1 ZINC000827555970 605492549 /nfs/dbraw/zinc/49/25/49/605492549.db2.gz BOBPDCJMZCVJLV-BXUZGUMPSA-N -2 3 357.414 2.432 20 0 FEADHL O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000832356363 605540155 /nfs/dbraw/zinc/54/01/55/605540155.db2.gz CCWRZUCRMZNLRV-RYUDHWBXSA-N -2 3 358.402 2.412 20 0 FEADHL O=C([O-])N1CC(C[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000834069218 605727883 /nfs/dbraw/zinc/72/78/83/605727883.db2.gz SQZRWHKHHBVEMF-UHFFFAOYSA-N -2 3 372.752 2.247 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc(C)c1F ZINC000822211716 606212538 /nfs/dbraw/zinc/21/25/38/606212538.db2.gz LWAAPIUOJQBJFI-UHFFFAOYSA-N -2 3 363.374 2.129 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cccc(Cl)c1F ZINC000823583061 606337951 /nfs/dbraw/zinc/33/79/51/606337951.db2.gz GGTXPOLPTFLVQW-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823298944 606592172 /nfs/dbraw/zinc/59/21/72/606592172.db2.gz AFPLUBPKFHOIMD-UHFFFAOYSA-N -2 3 353.367 2.276 20 0 FEADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000822202009 606981137 /nfs/dbraw/zinc/98/11/37/606981137.db2.gz GPLNOEIFUUHOBB-UHFFFAOYSA-N -2 3 364.818 2.333 20 0 FEADHL O=C([O-])[C@]1(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCSC1 ZINC000822935899 607121134 /nfs/dbraw/zinc/12/11/34/607121134.db2.gz PLPHZXBIRHGFHB-AWEZNQCLSA-N -2 3 367.818 2.057 20 0 FEADHL O=C([O-])[C@]1(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCSC1 ZINC000822935899 607121136 /nfs/dbraw/zinc/12/11/36/607121136.db2.gz PLPHZXBIRHGFHB-AWEZNQCLSA-N -2 3 367.818 2.057 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c(Cl)cc1F ZINC000822211844 607152689 /nfs/dbraw/zinc/15/26/89/607152689.db2.gz QCSOQDMATQVXEM-UHFFFAOYSA-N -2 3 374.810 2.225 20 0 FEADHL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000825043654 608306775 /nfs/dbraw/zinc/30/67/75/608306775.db2.gz INYOJRFRBGYHTO-UHFFFAOYSA-N -2 3 361.431 2.078 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2ccccc2-c2nnn[n-]2)c(C(=O)[O-])c1 ZINC000825565560 608386324 /nfs/dbraw/zinc/38/63/24/608386324.db2.gz VNXDUKAXYYGZTE-FPLPWBNLSA-N -2 3 365.349 2.307 20 0 FEADHL CCOC(=O)c1cnc(C=Cc2ccccc2-c2nn[n-]n2)c(C(=O)[O-])c1 ZINC000825565560 608386326 /nfs/dbraw/zinc/38/63/26/608386326.db2.gz VNXDUKAXYYGZTE-FPLPWBNLSA-N -2 3 365.349 2.307 20 0 FEADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1C ZINC000825080727 608582052 /nfs/dbraw/zinc/58/20/52/608582052.db2.gz BSCQOJIBQWNCTO-JTQLQIEISA-N -2 3 361.431 2.143 20 0 FEADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1C ZINC000825080727 608582054 /nfs/dbraw/zinc/58/20/54/608582054.db2.gz BSCQOJIBQWNCTO-JTQLQIEISA-N -2 3 361.431 2.143 20 0 FEADHL Cc1ccnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826314976 609264335 /nfs/dbraw/zinc/26/43/35/609264335.db2.gz UNCNFBUPQAGDAF-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826314976 609264336 /nfs/dbraw/zinc/26/43/36/609264336.db2.gz UNCNFBUPQAGDAF-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL COc1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826217387 609338436 /nfs/dbraw/zinc/33/84/36/609338436.db2.gz KDEQYSSHGYCZJV-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL O=C([O-])[C@H](CCc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000560081051 674567089 /nfs/dbraw/zinc/56/70/89/674567089.db2.gz FRSGBEUAOQQBMG-AWEZNQCLSA-N -2 3 373.352 2.468 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c(F)cc1Br ZINC000562737299 674799110 /nfs/dbraw/zinc/79/91/10/674799110.db2.gz DKSPEZDONZNGPX-UHFFFAOYSA-N -2 3 366.208 2.182 20 0 FEADHL CCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000049124599 670275587 /nfs/dbraw/zinc/27/55/87/670275587.db2.gz WQQHDOJFRDACDB-UHFFFAOYSA-N -2 3 364.265 2.050 20 0 FEADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000054795825 670341705 /nfs/dbraw/zinc/34/17/05/670341705.db2.gz DFCFRROJAIAJRY-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000569876024 670626641 /nfs/dbraw/zinc/62/66/41/670626641.db2.gz VQIPJTAPNYXCPC-DGCLKSJQSA-N -2 3 366.361 2.412 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)NCCc2cccs2)sc1C ZINC000091015241 670715351 /nfs/dbraw/zinc/71/53/51/670715351.db2.gz GGSLOHDUNRMCPG-UHFFFAOYSA-N -2 3 359.498 2.162 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])Oc1cccc(F)c1 ZINC000573320816 671108868 /nfs/dbraw/zinc/10/88/68/671108868.db2.gz MFLSMEVICRTMNE-SNVBAGLBSA-N -2 3 374.415 2.116 20 0 FEADHL COC(=O)c1ccccc1CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000574742273 671273823 /nfs/dbraw/zinc/27/38/23/671273823.db2.gz BSJHRFZFERUNHT-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000579712823 671755505 /nfs/dbraw/zinc/75/55/05/671755505.db2.gz XAZIJOLAHUBHJD-BDAKNGLRSA-N -2 3 352.334 2.022 20 0 FEADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000581285915 671881484 /nfs/dbraw/zinc/88/14/84/671881484.db2.gz RSXAYRKQYINXEV-ZDUSSCGKSA-N -2 3 359.325 2.078 20 0 FEADHL CCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cs1 ZINC000185014091 672516192 /nfs/dbraw/zinc/51/61/92/672516192.db2.gz BUBOEPKKNHPNGG-UHFFFAOYSA-N -2 3 362.379 2.160 20 0 FEADHL Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000185097891 672518734 /nfs/dbraw/zinc/51/87/34/672518734.db2.gz PAZZVXPHAGKTBP-SSDOTTSWSA-N -2 3 362.379 2.467 20 0 FEADHL CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c(C)c1 ZINC000538299352 673432647 /nfs/dbraw/zinc/43/26/47/673432647.db2.gz YGGTWHPKNKMYPR-UHFFFAOYSA-N -2 3 364.423 2.260 20 0 FEADHL CSCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000544726737 673729309 /nfs/dbraw/zinc/72/93/09/673729309.db2.gz VSLWUDUPHINLHO-UHFFFAOYSA-N -2 3 362.432 2.234 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC000546535049 673802278 /nfs/dbraw/zinc/80/22/78/673802278.db2.gz PGURSTHYPVXANY-UHFFFAOYSA-N -3 3 363.391 2.430 20 0 FEADHL Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1C(=O)[O-] ZINC000547554402 673862765 /nfs/dbraw/zinc/86/27/65/673862765.db2.gz OQYOLBKJMQGLLS-UHFFFAOYSA-N -2 3 359.407 2.432 20 0 FEADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000547639858 673877287 /nfs/dbraw/zinc/87/72/87/673877287.db2.gz FPFKIJYFLMKPEI-MRVPVSSYSA-N -2 3 364.807 2.416 20 0 FEADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1F ZINC000548265868 673945399 /nfs/dbraw/zinc/94/53/99/673945399.db2.gz JYBOOEDNKHUSCU-UHFFFAOYSA-N -2 3 371.317 2.235 20 0 FEADHL CCn1cncc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Br ZINC000548569286 673974092 /nfs/dbraw/zinc/97/40/92/673974092.db2.gz IDXLXONAXFWZNM-UHFFFAOYSA-N -2 3 374.216 2.165 20 0 FEADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000819089421 675259714 /nfs/dbraw/zinc/25/97/14/675259714.db2.gz POTOBSWDEIDMAO-GMSGAONNSA-N -2 3 355.243 2.412 20 0 FEADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000824029404 675580807 /nfs/dbraw/zinc/58/08/07/675580807.db2.gz JSRUCEDFADBBFF-UHFFFAOYSA-N -2 3 357.395 2.179 20 0 FEADHL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826289785 675685498 /nfs/dbraw/zinc/68/54/98/675685498.db2.gz NINMKGFLKXHFDZ-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2cccnc2Cl)c1-c1nn[n-]n1 ZINC000826299631 675685959 /nfs/dbraw/zinc/68/59/59/675685959.db2.gz NKTHKVKHCGMIPF-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c[n-]1 ZINC000618907182 676356193 /nfs/dbraw/zinc/35/61/93/676356193.db2.gz WTAFKWWXGWAYTB-UHFFFAOYSA-N -2 3 353.400 2.013 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c[n-]1 ZINC000618907102 676356236 /nfs/dbraw/zinc/35/62/36/676356236.db2.gz SFULIQIDBRULMZ-UHFFFAOYSA-N -2 3 359.791 2.049 20 0 FEADHL CCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cnn1CC(C)C ZINC000677417818 679679785 /nfs/dbraw/zinc/67/97/85/679679785.db2.gz WDNXTPRKHVMKCB-UHFFFAOYSA-N -3 3 367.427 2.306 20 0 FEADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-])C1CC1 ZINC000656167097 677718250 /nfs/dbraw/zinc/71/82/50/677718250.db2.gz JTNURICODQZZHJ-VHSXEESVSA-N -2 3 367.876 2.257 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2C[C@H](c3ccccc3)CO2)cc1C(=O)[O-] ZINC000656724065 677816314 /nfs/dbraw/zinc/81/63/14/677816314.db2.gz OCXOFKGGAXVGBS-KBPBESRZSA-N -2 3 365.407 2.137 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)COc2cccc(F)c2)oc1C(=O)[O-] ZINC000663419712 678733980 /nfs/dbraw/zinc/73/39/80/678733980.db2.gz UHTRGYDTXYFNAS-JTQLQIEISA-N -2 3 357.359 2.171 20 0 FEADHL COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663422218 678734706 /nfs/dbraw/zinc/73/47/06/678734706.db2.gz CABXOJHIQBFBPJ-LLVKDONJSA-N -2 3 369.395 2.041 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCCOc2ccc(C)cc2)oc1C(=O)[O-] ZINC000663423673 678735758 /nfs/dbraw/zinc/73/57/58/678735758.db2.gz ZHNPHCIYEVEJAM-UHFFFAOYSA-N -2 3 353.396 2.342 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(F)c2)oc1C(=O)[O-] ZINC000663425136 678736202 /nfs/dbraw/zinc/73/62/02/678736202.db2.gz WCVLBKKANGMFOH-JTQLQIEISA-N -2 3 357.359 2.171 20 0 FEADHL CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)OC ZINC000840894619 680850400 /nfs/dbraw/zinc/85/04/00/680850400.db2.gz XFJKFNVLBYTJCI-UFBFGSQYSA-N -2 3 351.371 2.002 20 0 FEADHL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1F ZINC000769890031 680998802 /nfs/dbraw/zinc/99/88/02/680998802.db2.gz UCQMSVZGWJWAGY-UHFFFAOYSA-N -3 3 369.326 2.032 20 0 FEADHL CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000846767163 681287122 /nfs/dbraw/zinc/28/71/22/681287122.db2.gz GAVOUHIMNPCXKO-KYZUINATSA-N -2 3 363.382 2.287 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846770587 681287528 /nfs/dbraw/zinc/28/75/28/681287528.db2.gz VJWLFQCTDHTXPS-FKTZTGRPSA-N -2 3 364.826 2.288 20 0 FEADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000793350039 682884014 /nfs/dbraw/zinc/88/40/14/682884014.db2.gz DTJRKFNJODVNRO-UHFFFAOYSA-N -3 3 367.354 2.260 20 0 FEADHL CSCC[C@H]([N-]S(=O)(=O)c1cnc(-c2ccccc2)s1)C(=O)[O-] ZINC000926451684 683126701 /nfs/dbraw/zinc/12/67/01/683126701.db2.gz OLMQUJCGIFRYEE-NSHDSACASA-N -2 3 372.493 2.295 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000797427822 683250207 /nfs/dbraw/zinc/25/02/07/683250207.db2.gz GRZGXNKFGNBVNJ-ZETCQYMHSA-N -2 3 370.652 2.492 20 0 FEADHL CC(C)=CC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000864449238 683854839 /nfs/dbraw/zinc/85/48/39/683854839.db2.gz DGSTYWJYXPYJPZ-VIFPVBQESA-N -2 3 352.334 2.188 20 0 FEADHL C[C@@H]1CC[C@H](C(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000871772692 684854532 /nfs/dbraw/zinc/85/45/32/684854532.db2.gz YIGOAPSKYBXMAH-YWVKMMECSA-N -2 3 366.361 2.268 20 0 FEADHL Cc1csc(S(=O)(=O)[N-]C[C@@H](SCC(=O)[O-])C(F)(F)F)c1 ZINC000871999134 684909187 /nfs/dbraw/zinc/90/91/87/684909187.db2.gz FZXPFPOKGOLSMI-SSDOTTSWSA-N -2 3 363.404 2.084 20 0 FEADHL O=C(NCCCc1c[n-][nH]c1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000898732573 690240413 /nfs/dbraw/zinc/24/04/13/690240413.db2.gz LRRRBSVRMUIEPK-SSDOTTSWSA-N -2 3 374.622 2.050 20 0 FEADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2cscc2C(F)F)n1 ZINC000901895652 690709804 /nfs/dbraw/zinc/70/98/04/690709804.db2.gz VBLZXANEMCKCPD-UHFFFAOYSA-N -2 3 350.372 2.098 20 0 FEADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-][C@H]([C@@H]1CCOC1)C(F)(F)F ZINC000903519872 690909055 /nfs/dbraw/zinc/90/90/55/690909055.db2.gz PJSPKTXBBLWUNS-GMSGAONNSA-N -2 3 373.374 2.000 20 0 FEADHL O=C([O-])c1cc([N-]S(=O)(=O)CC2(F)CC2)ccc1Br ZINC000905986015 691206047 /nfs/dbraw/zinc/20/60/47/691206047.db2.gz FKUTXCDOTQFWLM-UHFFFAOYSA-N -2 3 352.181 2.391 20 0 FEADHL Cc1ccccc1OCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000008029712 539475728 /nfs/dbraw/zinc/47/57/28/539475728.db2.gz NBAQALQPOHTNNE-UHFFFAOYSA-N -2 3 353.371 2.190 20 0 FEADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000036833336 539994686 /nfs/dbraw/zinc/99/46/86/539994686.db2.gz FBTZELMLDOXJIH-UHFFFAOYSA-N -3 3 352.324 2.108 20 0 FEADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(F)cc1F ZINC000043586412 540104072 /nfs/dbraw/zinc/10/40/72/540104072.db2.gz WVVYZLGIVDXXJF-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc(-n4cccc4)c3)ccc21 ZINC000068216047 541564543 /nfs/dbraw/zinc/56/45/43/541564543.db2.gz AAHBGRHRGQYDND-UHFFFAOYSA-N -2 3 367.386 2.162 20 0 FEADHL O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccccc1[O-] ZINC000105290908 543169449 /nfs/dbraw/zinc/16/94/49/543169449.db2.gz UXWITDPOVQSALY-UHFFFAOYSA-N -2 3 362.407 2.135 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1C(=O)[O-] ZINC000047949120 263406155 /nfs/dbraw/zinc/40/61/55/263406155.db2.gz YUMJLKWFYFQJHY-UHFFFAOYSA-N -2 3 364.379 2.153 20 0 FEADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000131903056 326583837 /nfs/dbraw/zinc/58/38/37/326583837.db2.gz VQXHCDANDXHHTI-SSDOTTSWSA-N -2 3 356.263 2.432 20 0 FEADHL CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000152906642 326719247 /nfs/dbraw/zinc/71/92/47/326719247.db2.gz KSRLWFMLXXQAOW-ZWNOBZJWSA-N -2 3 364.464 2.054 20 0 FEADHL C[C@@H](CCC[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161833169 327010310 /nfs/dbraw/zinc/01/03/10/327010310.db2.gz YNQLNVQMFXNWKU-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000261612923 328805372 /nfs/dbraw/zinc/80/53/72/328805372.db2.gz AOHXUKJBZKDJHW-CPCISQLKSA-N -2 3 368.224 2.366 20 0 FEADHL CCOc1ccc(C[C@@H](CNC(=O)c2cc(OC)ccc2[O-])C(=O)[O-])cc1 ZINC000262809747 328891605 /nfs/dbraw/zinc/89/16/05/328891605.db2.gz NXCLBEPYRUNGQX-AWEZNQCLSA-N -2 3 373.405 2.473 20 0 FEADHL C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000273728638 329886844 /nfs/dbraw/zinc/88/68/44/329886844.db2.gz RNXHQOAEONLEQA-WDSKDSINSA-N -2 3 354.247 2.143 20 0 FEADHL CSCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000274729491 329975056 /nfs/dbraw/zinc/97/50/56/329975056.db2.gz CHWGSMWDWKTBHZ-UHFFFAOYSA-N -2 3 353.412 2.475 20 0 FEADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000275006612 330001478 /nfs/dbraw/zinc/00/14/78/330001478.db2.gz MPHDJWJSRNGCNY-VXNVDRBHSA-N -2 3 353.293 2.152 20 0 FEADHL CSc1nc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)n[n-]1 ZINC000275015588 330002390 /nfs/dbraw/zinc/00/23/90/330002390.db2.gz CMFVWUALKWASAV-UHFFFAOYSA-N -2 3 352.363 2.487 20 0 FEADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(Br)s1)CC(=O)[O-] ZINC000275070739 330007430 /nfs/dbraw/zinc/00/74/30/330007430.db2.gz WQAXANNVVGGFPL-ZETCQYMHSA-N -2 3 356.263 2.290 20 0 FEADHL C[C@@](O)(CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000275111730 330011656 /nfs/dbraw/zinc/01/16/56/330011656.db2.gz WJVSZCQHXGGVEM-OAHLLOKOSA-N -2 3 355.437 2.022 20 0 FEADHL COc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])cc1OC ZINC000275180703 330019309 /nfs/dbraw/zinc/01/93/09/330019309.db2.gz KLOROLQMBQKFNW-SECBINFHSA-N -2 3 363.407 2.011 20 0 FEADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000275315048 330034132 /nfs/dbraw/zinc/03/41/32/330034132.db2.gz RSRKMSOPUIHOCY-SSDOTTSWSA-N -2 3 365.251 2.231 20 0 FEADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000554433654 674317116 /nfs/dbraw/zinc/31/71/16/674317116.db2.gz KHQQMQVEGKLNAF-IUCAKERBSA-N -2 3 354.350 2.268 20 0 FEADHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000481447786 561233074 /nfs/dbraw/zinc/23/30/74/561233074.db2.gz MNOIKPFVBHDGCP-UHFFFAOYSA-N -2 3 350.396 2.468 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2)ccc1[O-] ZINC000481605558 561237068 /nfs/dbraw/zinc/23/70/68/561237068.db2.gz CUQHCBDSARYJLE-UHFFFAOYSA-N -2 3 352.416 2.004 20 0 FEADHL O=C([O-])CCCOc1ccc(CNC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000486410788 561346507 /nfs/dbraw/zinc/34/65/07/561346507.db2.gz ZLNLLGFZXJYBKV-UHFFFAOYSA-N -2 3 354.366 2.132 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)ccc1[O-] ZINC000488384794 561389110 /nfs/dbraw/zinc/38/91/10/561389110.db2.gz JZIIQOPYUOAPAV-SNVBAGLBSA-N -2 3 364.427 2.319 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)cc1 ZINC000488998963 561401226 /nfs/dbraw/zinc/40/12/26/561401226.db2.gz YQTNOWABRGNWJT-UHFFFAOYSA-N -2 3 364.354 2.209 20 0 FEADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)cc1Cl ZINC000261651904 549739186 /nfs/dbraw/zinc/73/91/86/549739186.db2.gz HRAMEJCLYCZSPH-NSHDSACASA-N -2 3 356.227 2.390 20 0 FEADHL O=C([O-])CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000262374312 549814786 /nfs/dbraw/zinc/81/47/86/549814786.db2.gz FWZOFLRMYLZGMK-CQSZACIVSA-N -2 3 368.842 2.489 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000263444133 549901468 /nfs/dbraw/zinc/90/14/68/549901468.db2.gz QJPUMIYEHIBGJL-BPUTZDHNSA-N -2 3 374.437 2.065 20 0 FEADHL O=C(c1ccccc1[O-])N1C[C@@H]2CCCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC000271440367 550375727 /nfs/dbraw/zinc/37/57/27/550375727.db2.gz VDQFZQQACKYXGJ-WMLDXEAASA-N -2 3 366.417 2.475 20 0 FEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1F ZINC000498033586 561514244 /nfs/dbraw/zinc/51/42/44/561514244.db2.gz VSFLTHKXZKWDJI-UHFFFAOYSA-N -2 3 374.415 2.094 20 0 FEADHL Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000285531246 551770735 /nfs/dbraw/zinc/77/07/35/551770735.db2.gz RJFVGJFNSKZLAI-UHFFFAOYSA-N -2 3 374.365 2.481 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2noc3c2CCCC3)c1 ZINC000286983459 551947973 /nfs/dbraw/zinc/94/79/73/551947973.db2.gz CSLMVDDMIBYHDH-UHFFFAOYSA-N -2 3 368.386 2.178 20 0 FEADHL O=C([N-]C[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)C1)C(F)(F)F ZINC000291136452 552591594 /nfs/dbraw/zinc/59/15/94/552591594.db2.gz OQENUOOLVITTEW-QMMMGPOBSA-N -2 3 366.286 2.201 20 0 FEADHL C[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000292356794 552719144 /nfs/dbraw/zinc/71/91/44/552719144.db2.gz RBRFKXBNZZJBDL-RVBZMBCESA-N -2 3 362.323 2.449 20 0 FEADHL COC(=O)c1cccc2[n-]c(NC(=O)c3cc(=O)c4ccccc4[n-]3)nc21 ZINC000503590620 561644881 /nfs/dbraw/zinc/64/48/81/561644881.db2.gz LWWYEIJJXASFHF-UHFFFAOYSA-N -2 3 362.345 2.443 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1C(=O)N(C)C ZINC000504222725 561654765 /nfs/dbraw/zinc/65/47/65/561654765.db2.gz HDZPUFQETOPFJJ-UHFFFAOYSA-N -2 3 368.386 2.043 20 0 FEADHL O=C([O-])[C@@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000314122297 553759047 /nfs/dbraw/zinc/75/90/47/553759047.db2.gz PLXWXDMTUFAFFO-SNVBAGLBSA-N -2 3 361.828 2.081 20 0 FEADHL O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000326413690 553780629 /nfs/dbraw/zinc/78/06/29/553780629.db2.gz PKSXHURYEVRYBP-GFCCVEGCSA-N -2 3 356.400 2.297 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cc1C(=O)[O-] ZINC000327508273 553789665 /nfs/dbraw/zinc/78/96/65/553789665.db2.gz OQZUTSHYIGEOLO-UHFFFAOYSA-N -2 3 362.363 2.183 20 0 FEADHL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000507007375 561713846 /nfs/dbraw/zinc/71/38/46/561713846.db2.gz NBJWTBOTMULRMG-UHFFFAOYSA-N -2 3 354.359 2.299 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCCCO)cc2)cc1F ZINC000507639877 561736271 /nfs/dbraw/zinc/73/62/71/561736271.db2.gz XYUHRUDMFFPRCN-UHFFFAOYSA-N -2 3 369.370 2.086 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000514789621 561979766 /nfs/dbraw/zinc/97/97/66/561979766.db2.gz MIXFVHVRWKVCQH-ZWNOBZJWSA-N -2 3 354.453 2.062 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-][C@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000517736390 562096865 /nfs/dbraw/zinc/09/68/65/562096865.db2.gz OUOSTLJCUYEKSP-DGCLKSJQSA-N -2 3 369.464 2.367 20 0 FEADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1 ZINC000519378286 562130533 /nfs/dbraw/zinc/13/05/33/562130533.db2.gz PZGJKFPAGXPLNH-CBAPKCEASA-N -2 3 367.757 2.249 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1cccnc1C(F)(F)F ZINC000377136277 558273947 /nfs/dbraw/zinc/27/39/47/558273947.db2.gz MPVGXWFPBNRAFI-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cccnc1C(F)(F)F ZINC000377136277 558273949 /nfs/dbraw/zinc/27/39/49/558273949.db2.gz MPVGXWFPBNRAFI-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL CC(F)(F)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000379303411 558602019 /nfs/dbraw/zinc/60/20/19/558602019.db2.gz QWEVRCFVVLMCQA-UHFFFAOYSA-N -2 3 372.187 2.471 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)cc1C(=O)[O-] ZINC000392665651 558618419 /nfs/dbraw/zinc/61/84/19/558618419.db2.gz DDLSUQBYZMWWEW-UHFFFAOYSA-N -2 3 364.335 2.041 20 0 FEADHL CCCc1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)o1 ZINC000414346556 559157822 /nfs/dbraw/zinc/15/78/22/559157822.db2.gz USZDPUQTUGJVNN-UHFFFAOYSA-N -2 3 352.412 2.421 20 0 FEADHL COc1ccc([O-])c([N-]S(=O)(=O)C[C@@H](Cc2ccccc2)OC)c1 ZINC000421149217 559526773 /nfs/dbraw/zinc/52/67/73/559526773.db2.gz HKBGOYNCVSFSQS-OAHLLOKOSA-N -2 3 351.424 2.400 20 0 FEADHL Cc1ccc(NC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)cc1C(=O)[O-] ZINC000431534196 559840963 /nfs/dbraw/zinc/84/09/63/559840963.db2.gz AKAHJOZKAANNQG-IBGZPJMESA-N -2 3 367.361 2.000 20 0 FEADHL COc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC000432757366 559864037 /nfs/dbraw/zinc/86/40/37/559864037.db2.gz ASLSHCWWVYBVJT-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000433612343 559885032 /nfs/dbraw/zinc/88/50/32/559885032.db2.gz KVOABCLVHWOIBV-UHFFFAOYSA-N -2 3 374.415 2.007 20 0 FEADHL CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436528120 559944327 /nfs/dbraw/zinc/94/43/27/559944327.db2.gz NHPISCULWZWXRL-LBPRGKRZSA-N -2 3 370.471 2.231 20 0 FEADHL CCC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000436608866 559946314 /nfs/dbraw/zinc/94/63/14/559946314.db2.gz QWTRKXYNTPXCCH-UHFFFAOYSA-N -2 3 351.380 2.500 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)ccc1[O-] ZINC000436714422 559949721 /nfs/dbraw/zinc/94/97/21/559949721.db2.gz IAPNDYGLJPQPRQ-JTQLQIEISA-N -2 3 365.411 2.147 20 0 FEADHL COc1cc2c(cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1)OCO2 ZINC000443438649 560083947 /nfs/dbraw/zinc/08/39/47/560083947.db2.gz FVHALUGFJGEQKX-HWKANZROSA-N -2 3 358.350 2.416 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(F)c2-c2nnc[nH]2)c1 ZINC000447258289 560158932 /nfs/dbraw/zinc/15/89/32/560158932.db2.gz DPTYIOGPUJALIF-UHFFFAOYSA-N -2 3 364.358 2.126 20 0 FEADHL CCCCn1ncc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1C ZINC000448132280 560178495 /nfs/dbraw/zinc/17/84/95/560178495.db2.gz JNPJRVMZILKQPV-UHFFFAOYSA-N -2 3 366.443 2.456 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2F)cc1 ZINC000470259048 560977482 /nfs/dbraw/zinc/97/74/82/560977482.db2.gz UVDBDWUNSBECNY-UHFFFAOYSA-N -2 3 362.342 2.110 20 0 FEADHL O=C(NCc1ncccc1[O-])c1c[n-]c2ccc(Br)cc2c1=O ZINC000473647010 561055007 /nfs/dbraw/zinc/05/50/07/561055007.db2.gz YOPQHQDXHDLORN-UHFFFAOYSA-N -2 3 374.194 2.321 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cnc(CC(C)C)nc2)ccc1[O-] ZINC000475828850 561106464 /nfs/dbraw/zinc/10/64/64/561106464.db2.gz HPCMRYZCDKVJQE-UHFFFAOYSA-N -2 3 364.427 2.140 20 0 FEADHL CC[C@](C)(NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000531998880 562463640 /nfs/dbraw/zinc/46/36/40/562463640.db2.gz PTXVLRKOGRHIFX-HNNXBMFYSA-N -2 3 367.199 2.274 20 0 FEADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000541000895 562600033 /nfs/dbraw/zinc/60/00/33/562600033.db2.gz GMVMSGQAGJXCAE-UHFFFAOYSA-N -2 3 358.778 2.093 20 0 FEADHL Cc1ncc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c(=O)[n-]1 ZINC000541310236 562608579 /nfs/dbraw/zinc/60/85/79/562608579.db2.gz ALPCUYKLICJGGL-UHFFFAOYSA-N -2 3 354.240 2.337 20 0 FEADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(Br)o2)cc1C(=O)[O-] ZINC000541928014 562623568 /nfs/dbraw/zinc/62/35/68/562623568.db2.gz RBHUCGQWKHKKQK-UHFFFAOYSA-N -2 3 364.173 2.120 20 0 FEADHL Cc1cc(C)c(-c2cc(=NC(=O)N=c3nc4n([n-]3)CCCC4)[nH][n-]2)cc1C ZINC000563103254 568184607 /nfs/dbraw/zinc/18/46/07/568184607.db2.gz OQSSFKZRVBBHAQ-UHFFFAOYSA-N -2 3 365.441 2.418 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1 ZINC000738345888 598548976 /nfs/dbraw/zinc/54/89/76/598548976.db2.gz QLZYUKGNZVNBPK-UHFFFAOYSA-N -2 3 367.337 2.269 20 0 FEADHL O=c1cc(CSCCCc2ccccc2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC000738396594 598644461 /nfs/dbraw/zinc/64/44/61/598644461.db2.gz JQTWEXABVAAHFU-UHFFFAOYSA-N -2 3 367.438 2.481 20 0 FEADHL CC(C)(C)CCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735602142 598785632 /nfs/dbraw/zinc/78/56/32/598785632.db2.gz AJJOKIQRFKSVGB-UHFFFAOYSA-N -2 3 365.459 2.029 20 0 FEADHL CC(C)(C)CCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735602142 598785635 /nfs/dbraw/zinc/78/56/35/598785635.db2.gz AJJOKIQRFKSVGB-UHFFFAOYSA-N -2 3 365.459 2.029 20 0 FEADHL CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820847530 599684663 /nfs/dbraw/zinc/68/46/63/599684663.db2.gz FTENMYCNGMAPKR-UHFFFAOYSA-N -2 3 371.850 2.151 20 0 FEADHL CCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820847530 599684664 /nfs/dbraw/zinc/68/46/64/599684664.db2.gz FTENMYCNGMAPKR-UHFFFAOYSA-N -2 3 371.850 2.151 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)o1 ZINC000570798051 599777995 /nfs/dbraw/zinc/77/79/95/599777995.db2.gz QJDWFAQZDCQJSB-IUODEOHRSA-N -2 3 351.380 2.176 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)c(F)cc1F ZINC000809151295 674485708 /nfs/dbraw/zinc/48/57/08/674485708.db2.gz WQEDTWOZXBAXNR-VIFPVBQESA-N -2 3 369.345 2.118 20 0 FEADHL Cc1nc(C)c(CC(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c(=O)[n-]1 ZINC000738846527 600496013 /nfs/dbraw/zinc/49/60/13/600496013.db2.gz DEXQXDFRDZKCMS-UHFFFAOYSA-N -2 3 359.382 2.224 20 0 FEADHL Cc1c(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)nnn1-c1cccc(C)c1 ZINC000738682433 600630738 /nfs/dbraw/zinc/63/07/38/600630738.db2.gz YJQFNJMACNVHLS-UHFFFAOYSA-N -2 3 372.410 2.005 20 0 FEADHL Cc1ccc2c(n1)[n-]cc(C(=O)NCc1cccc(OCC(=O)[O-])c1)c2=O ZINC000738664513 600648448 /nfs/dbraw/zinc/64/84/48/600648448.db2.gz FXYLGDDSWKBWAJ-UHFFFAOYSA-N -2 3 367.361 2.037 20 0 FEADHL C[C@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000564918443 600800214 /nfs/dbraw/zinc/80/02/14/600800214.db2.gz KRGWJFFSBBOMNV-JTQLQIEISA-N -2 3 367.427 2.246 20 0 FEADHL CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000614873183 600812358 /nfs/dbraw/zinc/81/23/58/600812358.db2.gz AQNKUIMQTADEHY-UHFFFAOYSA-N -2 3 371.802 2.136 20 0 FEADHL O=C([O-])c1ccc(-c2nc(Cn3cc(Cl)c(=O)[n-]c3=O)cs2)cc1 ZINC000833307270 600901549 /nfs/dbraw/zinc/90/15/49/600901549.db2.gz DHKKOXDMLMQQFB-UHFFFAOYSA-N -2 3 363.782 2.472 20 0 FEADHL O=C([O-])c1cc(F)ccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000833298737 601170219 /nfs/dbraw/zinc/17/02/19/601170219.db2.gz DJCHVHPUXRPCSI-UHFFFAOYSA-N -2 3 358.369 2.188 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000645945042 601215045 /nfs/dbraw/zinc/21/50/45/601215045.db2.gz ILZPOBYTGUGCIQ-SECBINFHSA-N -2 3 367.379 2.097 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)OCO3)cc1C(=O)[O-] ZINC000566180869 601215821 /nfs/dbraw/zinc/21/58/21/601215821.db2.gz RHJNPXFAXZATAO-QMMMGPOBSA-N -2 3 353.352 2.054 20 0 FEADHL COc1ccccc1C1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000564923558 601219781 /nfs/dbraw/zinc/21/97/81/601219781.db2.gz RVJMBRWCQOAVIR-UHFFFAOYSA-N -2 3 365.407 2.305 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2F)cc1C(=O)[O-] ZINC000833027105 601222420 /nfs/dbraw/zinc/22/24/20/601222420.db2.gz BPCVTMRFBFNAEU-SKDRFNHKSA-N -2 3 357.334 2.399 20 0 FEADHL CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000318653027 601239036 /nfs/dbraw/zinc/23/90/36/601239036.db2.gz XUEHUFHCAICVLD-HTQZYQBOSA-N -2 3 351.396 2.225 20 0 FEADHL COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C)c1ccco1 ZINC000563073534 601262660 /nfs/dbraw/zinc/26/26/60/601262660.db2.gz WESTZFBDAQGWRY-CYBMUJFWSA-N -2 3 353.396 2.261 20 0 FEADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000832793818 601274955 /nfs/dbraw/zinc/27/49/55/601274955.db2.gz BWDJXCCQPFOHEQ-UHFFFAOYSA-N -2 3 359.367 2.039 20 0 FEADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CN(C)C ZINC000326990331 601361208 /nfs/dbraw/zinc/36/12/08/601361208.db2.gz MVGUNTMHQSEZBZ-UHFFFAOYSA-N -2 3 364.423 2.256 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@@](F)(C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000832991022 601407644 /nfs/dbraw/zinc/40/76/44/601407644.db2.gz IEUKJPWXXBYDEN-KRWDZBQOSA-N -2 3 360.345 2.188 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c(F)c1 ZINC000833320909 601486554 /nfs/dbraw/zinc/48/65/54/601486554.db2.gz ZGXOOQITUREMPG-UHFFFAOYSA-N -3 3 374.733 2.071 20 0 FEADHL CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000830624150 601847833 /nfs/dbraw/zinc/84/78/33/601847833.db2.gz YDJPGPLYEOPGHP-UHFFFAOYSA-N -2 3 352.387 2.386 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCCCCC[C@H]2C(=O)[O-])oc1C ZINC000547937590 601991485 /nfs/dbraw/zinc/99/14/85/601991485.db2.gz BHUPSUJXEFUESW-YPMHNXCESA-N -2 3 373.427 2.077 20 0 FEADHL O=C([O-])Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000560444823 602143423 /nfs/dbraw/zinc/14/34/23/602143423.db2.gz RGDQHSDHOYJUSW-INIZCTEOSA-N -2 3 368.389 2.263 20 0 FEADHL CC(C)(CNC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000738753487 602317136 /nfs/dbraw/zinc/31/71/36/602317136.db2.gz XUURUBFYDYUMFA-UHFFFAOYSA-N -2 3 358.313 2.169 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCN(C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000740207719 602573392 /nfs/dbraw/zinc/57/33/92/602573392.db2.gz JELUGPNBDACJLM-CYBMUJFWSA-N -2 3 357.370 2.031 20 0 FEADHL O=C([O-])N1CCC[C@H]1C1CCN(C(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000740729505 602589619 /nfs/dbraw/zinc/58/96/19/602589619.db2.gz QDBNKUVHTZZUEJ-HNNXBMFYSA-N -2 3 370.409 2.330 20 0 FEADHL CCc1cc(=O)[n-]c(-c2ccc(N3CCC(CNC(=O)[O-])CC3)nc2)n1 ZINC000739536145 602734743 /nfs/dbraw/zinc/73/47/43/602734743.db2.gz NSNUBHFWZMMFCH-UHFFFAOYSA-N -2 3 357.414 2.291 20 0 FEADHL O=C([O-])NC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000740614349 603070142 /nfs/dbraw/zinc/07/01/42/603070142.db2.gz QKITYVVKWJADMS-SNVBAGLBSA-N -2 3 353.227 2.318 20 0 FEADHL O=C([O-])N[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000832140533 603143706 /nfs/dbraw/zinc/14/37/06/603143706.db2.gz LYNFKWBRAMJVRE-ZDUSSCGKSA-N -2 3 356.350 2.252 20 0 FEADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000558862037 674518326 /nfs/dbraw/zinc/51/83/26/674518326.db2.gz BDOKXYJDQRAYCH-SNVBAGLBSA-N -2 3 368.224 2.366 20 0 FEADHL C[C@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823723608 603389608 /nfs/dbraw/zinc/38/96/08/603389608.db2.gz LQUWJRHMGFROFZ-SMDDNHRTSA-N -2 3 366.381 2.450 20 0 FEADHL Cc1ccc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1NC(=O)[O-] ZINC000830236554 603959589 /nfs/dbraw/zinc/95/95/89/603959589.db2.gz BRMDDODCBUAVCN-UHFFFAOYSA-N -2 3 362.363 2.260 20 0 FEADHL O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000832349828 603984950 /nfs/dbraw/zinc/98/49/50/603984950.db2.gz JSSXVZUTNDHOFJ-GJZGRUSLSA-N -2 3 372.429 2.090 20 0 FEADHL C[C@]1(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CCN(C(=O)[O-])C1 ZINC000825685186 604065674 /nfs/dbraw/zinc/06/56/74/604065674.db2.gz TXSBACJUVKDBMC-HNNXBMFYSA-N -2 3 351.313 2.078 20 0 FEADHL C[C@H](CCNC(=O)NCc1ccc([O-])c(Br)c1)NC(=O)[O-] ZINC000824794901 604269433 /nfs/dbraw/zinc/26/94/33/604269433.db2.gz XBSSJSNCVREYEE-MRVPVSSYSA-N -2 3 360.208 2.000 20 0 FEADHL Cn1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)C(=O)[O-])nc1Cl ZINC000833054064 604410756 /nfs/dbraw/zinc/41/07/56/604410756.db2.gz QMESVBDGYQVYMK-LBPRGKRZSA-N -2 3 371.846 2.204 20 0 FEADHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1 ZINC000327833687 604531622 /nfs/dbraw/zinc/53/16/22/604531622.db2.gz POMPOHFBQWKLFF-UHFFFAOYSA-N -2 3 363.391 2.371 20 0 FEADHL C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)C[C@H]1C(=O)[O-] ZINC000828361997 604540000 /nfs/dbraw/zinc/54/00/00/604540000.db2.gz NQSRDEOAGROSPL-PSASIEDQSA-N -2 3 357.204 2.017 20 0 FEADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000538577808 604676459 /nfs/dbraw/zinc/67/64/59/604676459.db2.gz XFXAQQZXXSXHPX-UHFFFAOYSA-N -2 3 362.407 2.328 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1C(=O)[O-] ZINC000392263912 605021632 /nfs/dbraw/zinc/02/16/32/605021632.db2.gz TWLGVEIRBPWVOM-UHFFFAOYSA-N -2 3 370.314 2.242 20 0 FEADHL C[C@@]1([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCCC[C@@H]1C(=O)[O-] ZINC000833568311 605245633 /nfs/dbraw/zinc/24/56/33/605245633.db2.gz CWAUALIQBHUWKN-YMTOWFKASA-N -2 3 351.346 2.416 20 0 FEADHL O=C([O-])N1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000834105054 605645243 /nfs/dbraw/zinc/64/52/43/605645243.db2.gz FPGDKKMXMVBJDI-STQMWFEESA-N -2 3 362.382 2.258 20 0 FEADHL CC(C)(NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000833459660 605747941 /nfs/dbraw/zinc/74/79/41/605747941.db2.gz CYGHJBLOIRGNAE-INIZCTEOSA-N -2 3 370.405 2.233 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3CC[C@H](NC(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000740208573 605947464 /nfs/dbraw/zinc/94/74/64/605947464.db2.gz LOZSJTHEIGJTCJ-ZDUSSCGKSA-N -2 3 357.370 2.031 20 0 FEADHL CCCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833853781 605951040 /nfs/dbraw/zinc/95/10/40/605951040.db2.gz MZAZOCJZCXKOIE-GFCCVEGCSA-N -2 3 352.387 2.014 20 0 FEADHL O=C([O-])Nc1cnc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)cn1 ZINC000834277642 606024253 /nfs/dbraw/zinc/02/42/53/606024253.db2.gz FOYCRBMIBSVGAG-UHFFFAOYSA-N -2 3 374.357 2.400 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1cccc2ccccc21 ZINC000823583481 606469634 /nfs/dbraw/zinc/46/96/34/606469634.db2.gz RDSBBAOKGAHXFA-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cccc2ccccc21 ZINC000823583481 606469635 /nfs/dbraw/zinc/46/96/35/606469635.db2.gz RDSBBAOKGAHXFA-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL COc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000821766309 606633130 /nfs/dbraw/zinc/63/31/30/606633130.db2.gz UDYMJGNWXKDMGX-UHFFFAOYSA-N -2 3 371.378 2.422 20 0 FEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000821766309 606633131 /nfs/dbraw/zinc/63/31/31/606633131.db2.gz UDYMJGNWXKDMGX-UHFFFAOYSA-N -2 3 371.378 2.422 20 0 FEADHL Cc1ccncc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000822378832 606637284 /nfs/dbraw/zinc/63/72/84/606637284.db2.gz FSRKOXCQDGOXJF-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccncc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000822378832 606637285 /nfs/dbraw/zinc/63/72/85/606637285.db2.gz FSRKOXCQDGOXJF-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL O=C([N-]c1nnc(C(F)F)s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823383502 606674127 /nfs/dbraw/zinc/67/41/27/606674127.db2.gz SSZMTDSFPHQSDZ-UHFFFAOYSA-N -2 3 359.268 2.186 20 0 FEADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000820192232 607025455 /nfs/dbraw/zinc/02/54/55/607025455.db2.gz GPHOLJSPPFRHCB-UHFFFAOYSA-N -2 3 350.429 2.247 20 0 FEADHL CCC(CC)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820893312 607095892 /nfs/dbraw/zinc/09/58/92/607095892.db2.gz MVURXWJUPMGDLD-UHFFFAOYSA-N -2 3 371.850 2.151 20 0 FEADHL CCC(CC)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820893312 607095893 /nfs/dbraw/zinc/09/58/93/607095893.db2.gz MVURXWJUPMGDLD-UHFFFAOYSA-N -2 3 371.850 2.151 20 0 FEADHL O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc(Br)ccc1[O-] ZINC000823379625 607110116 /nfs/dbraw/zinc/11/01/16/607110116.db2.gz BEPXFYFRFRTZLY-UHFFFAOYSA-N -2 3 367.188 2.044 20 0 FEADHL O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc(Br)ccc1[O-] ZINC000823379625 607110117 /nfs/dbraw/zinc/11/01/17/607110117.db2.gz BEPXFYFRFRTZLY-UHFFFAOYSA-N -2 3 367.188 2.044 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccccc1-c1nnn[n-]1 ZINC000826492846 607817323 /nfs/dbraw/zinc/81/73/23/607817323.db2.gz HPCCSIUGYQBCLQ-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccccc1-c1nn[n-]n1 ZINC000826492846 607817324 /nfs/dbraw/zinc/81/73/24/607817324.db2.gz HPCCSIUGYQBCLQ-UHFFFAOYSA-N -2 3 351.775 2.027 20 0 FEADHL O=C([O-])CCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826461175 607833694 /nfs/dbraw/zinc/83/36/94/607833694.db2.gz JJZNCBJELUISAW-UHFFFAOYSA-N -2 3 353.338 2.462 20 0 FEADHL O=C([O-])CCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826461175 607833695 /nfs/dbraw/zinc/83/36/95/607833695.db2.gz JJZNCBJELUISAW-UHFFFAOYSA-N -2 3 353.338 2.462 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492409 609423972 /nfs/dbraw/zinc/42/39/72/609423972.db2.gz IXEBCKLELSFRHW-UHFFFAOYSA-N -2 3 367.394 2.058 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826492409 609423974 /nfs/dbraw/zinc/42/39/74/609423974.db2.gz IXEBCKLELSFRHW-UHFFFAOYSA-N -2 3 367.394 2.058 20 0 FEADHL Cc1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826330035 609531085 /nfs/dbraw/zinc/53/10/85/609531085.db2.gz CNEJETFJGSTGDR-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL Cc1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826330035 609531087 /nfs/dbraw/zinc/53/10/87/609531087.db2.gz CNEJETFJGSTGDR-UHFFFAOYSA-N -2 3 356.820 2.086 20 0 FEADHL COc1ccc2c(c1)CCC[C@H]2C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000564917440 675076627 /nfs/dbraw/zinc/07/66/27/675076627.db2.gz TUVWEVJWKGYYAX-LBPRGKRZSA-N -2 3 365.407 2.385 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCCOc2ccc(F)cc21 ZINC000564923040 675077950 /nfs/dbraw/zinc/07/79/50/675077950.db2.gz AORDXPUYHYXHOZ-SNVBAGLBSA-N -2 3 372.399 2.173 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1NC(C)=O ZINC000043589506 670177377 /nfs/dbraw/zinc/17/73/77/670177377.db2.gz XIRVOCYTUZTVIC-UHFFFAOYSA-N -2 3 364.379 2.153 20 0 FEADHL COC(=O)c1sccc1S(=O)(=O)[N-][N-]C(=O)CCC1CCCCC1 ZINC000066588632 670444411 /nfs/dbraw/zinc/44/44/11/670444411.db2.gz XDUMGYDZUODARZ-UHFFFAOYSA-N -2 3 374.484 2.205 20 0 FEADHL COCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccc(C)o1 ZINC000565537087 675130638 /nfs/dbraw/zinc/13/06/38/675130638.db2.gz HTALOCKMQKYYBZ-GFCCVEGCSA-N -2 3 357.384 2.244 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)o1 ZINC000565598710 675135592 /nfs/dbraw/zinc/13/55/92/675135592.db2.gz XZMMHTDDSIZGSF-WFASDCNBSA-N -2 3 351.380 2.034 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000572360308 670992524 /nfs/dbraw/zinc/99/25/24/670992524.db2.gz RGBIABPAUGBISQ-HIFRSBDPSA-N -2 3 351.380 2.095 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2c2ccccc2)c1 ZINC000566066413 675177587 /nfs/dbraw/zinc/17/75/87/675177587.db2.gz RGJUSGRXWNGSBH-CJNGLKHVSA-N -2 3 365.407 2.424 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)(C)C)cc1C(=O)[O-] ZINC000574317067 671226009 /nfs/dbraw/zinc/22/60/09/671226009.db2.gz QBBBFBZXNCOPJI-BXUZGUMPSA-N -2 3 359.444 2.406 20 0 FEADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000574567281 671255296 /nfs/dbraw/zinc/25/52/96/671255296.db2.gz ZYHIRRYBTRBSII-WCBMZHEXSA-N -2 3 354.350 2.124 20 0 FEADHL CCO[C@@H](CC[N-]S(=O)(=O)c1csnc1C(=O)[O-])C1CCCC1 ZINC000566174595 675189935 /nfs/dbraw/zinc/18/99/35/675189935.db2.gz SBVSGRWGSZBBSS-NSHDSACASA-N -2 3 362.473 2.105 20 0 FEADHL COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000576035847 671339398 /nfs/dbraw/zinc/33/93/98/671339398.db2.gz YXFFDTLYECOQHN-UHFFFAOYSA-N -2 3 370.452 2.150 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000576224552 671353291 /nfs/dbraw/zinc/35/32/91/671353291.db2.gz XBHDPKQXWCNLQR-VXGBXAGGSA-N -2 3 368.436 2.040 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCCOc2ccccc21 ZINC000576396476 671365674 /nfs/dbraw/zinc/36/56/74/671365674.db2.gz CSYYPOPJRAGUOG-JTQLQIEISA-N -2 3 354.409 2.034 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccc(C)cc2)s1 ZINC000579705821 671754988 /nfs/dbraw/zinc/75/49/88/671754988.db2.gz QHGUHCVGDKCUAL-LBPRGKRZSA-N -2 3 354.453 2.161 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000581129306 671866233 /nfs/dbraw/zinc/86/62/33/671866233.db2.gz PRCAXVUVGHRLAD-UONOGXRCSA-N -2 3 351.380 2.176 20 0 FEADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000584506100 672194240 /nfs/dbraw/zinc/19/42/40/672194240.db2.gz QWYMWEWXHUXZGW-QMMMGPOBSA-N -2 3 371.308 2.256 20 0 FEADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000590695274 672603003 /nfs/dbraw/zinc/60/30/03/672603003.db2.gz RMBCHULCEKAHAR-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL COC(=O)c1csc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1C ZINC000611443795 676037404 /nfs/dbraw/zinc/03/74/04/676037404.db2.gz ZRRADHIKTBPLOF-UHFFFAOYSA-N -2 3 357.409 2.358 20 0 FEADHL O=C([N-]NC(=O)c1cc(Cl)ccc1[O-])c1ccoc1Br ZINC000193376346 672721937 /nfs/dbraw/zinc/72/19/37/672721937.db2.gz DMRPSNGJRJPABF-UHFFFAOYSA-N -2 3 359.563 2.476 20 0 FEADHL C[C@@H](F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000702591244 673057976 /nfs/dbraw/zinc/05/79/76/673057976.db2.gz LJYGKWBBTGECSX-RXMQYKEDSA-N -2 3 360.226 2.235 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2C)c1 ZINC000539398817 673488303 /nfs/dbraw/zinc/48/83/03/673488303.db2.gz LMRMNUGZXUDDNU-UHFFFAOYSA-N -2 3 364.423 2.212 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-][C@@](C(=O)[O-])(c2ccccc2)C(C)C)s1 ZINC000540505237 673544058 /nfs/dbraw/zinc/54/40/58/673544058.db2.gz WSUPZFIHNHOPJQ-OAHLLOKOSA-N -2 3 354.453 2.366 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cn1 ZINC000547610954 673873903 /nfs/dbraw/zinc/87/39/03/673873903.db2.gz MCBRBVSNMZUVFA-UHFFFAOYSA-N -2 3 358.322 2.258 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1ccccn1 ZINC000548209959 673935220 /nfs/dbraw/zinc/93/52/20/673935220.db2.gz VJQXLYYKVZWAQA-SECBINFHSA-N -2 3 360.844 2.018 20 0 FEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Cc1cccnc1 ZINC000548228319 673938480 /nfs/dbraw/zinc/93/84/80/673938480.db2.gz BXGUFFHRXVJDEO-LLVKDONJSA-N -2 3 372.805 2.096 20 0 FEADHL CSCC[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000548534025 673966854 /nfs/dbraw/zinc/96/68/54/673966854.db2.gz RFYKJUPTYGZRLW-LLVKDONJSA-N -2 3 361.416 2.365 20 0 FEADHL O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000548768595 673993918 /nfs/dbraw/zinc/99/39/18/673993918.db2.gz MEBTWJMGBCOARH-SNVBAGLBSA-N -2 3 366.361 2.412 20 0 FEADHL C[C@H]1CCC[C@]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)(C(=O)[O-])C1 ZINC000548837112 674000019 /nfs/dbraw/zinc/00/00/19/674000019.db2.gz OXGYXEYVIYOHFX-RMLUDKJBSA-N -2 3 351.346 2.416 20 0 FEADHL C[C@H]([C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-])C1CC1 ZINC000548991318 674010269 /nfs/dbraw/zinc/01/02/69/674010269.db2.gz XQTAJRJNZSGDOL-WKEGUHRASA-N -2 3 368.274 2.288 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC)c1nccs1 ZINC000567798735 675324191 /nfs/dbraw/zinc/32/41/91/675324191.db2.gz UTNYSWKWSWGMSK-JTQLQIEISA-N -2 3 374.415 2.419 20 0 FEADHL O=S(=O)(N=S1(=O)CCCC1)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000821177408 675420057 /nfs/dbraw/zinc/42/00/57/675420057.db2.gz CXBKLUIXIZHPEP-UHFFFAOYSA-N -2 3 358.363 2.330 20 0 FEADHL CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825266697 675644467 /nfs/dbraw/zinc/64/44/67/675644467.db2.gz GPIRGTBWYFJZQT-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825266697 675644468 /nfs/dbraw/zinc/64/44/68/675644468.db2.gz GPIRGTBWYFJZQT-GFCCVEGCSA-N -2 3 365.459 2.278 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1F ZINC000826268424 675685294 /nfs/dbraw/zinc/68/52/94/675685294.db2.gz WLEAYEFJUOAUIF-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL O=C([O-])[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCOC1 ZINC000630433251 676900697 /nfs/dbraw/zinc/90/06/97/676900697.db2.gz RNZKGAANFHGONX-ZDUSSCGKSA-N -2 3 368.238 2.153 20 0 FEADHL COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000645959331 677275882 /nfs/dbraw/zinc/27/58/82/677275882.db2.gz NKYSBBPDMSIUJV-UHFFFAOYSA-N -2 3 353.396 2.243 20 0 FEADHL CC(C)(COCc1ccccc1)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000645982886 677276316 /nfs/dbraw/zinc/27/63/16/677276316.db2.gz WDYZZLAHZBJSGI-UHFFFAOYSA-N -2 3 370.452 2.115 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C1(c2ccccc2F)CCC1 ZINC000646060613 677278339 /nfs/dbraw/zinc/27/83/39/677278339.db2.gz ZFMUOSRABRPEEX-UHFFFAOYSA-N -2 3 356.400 2.338 20 0 FEADHL CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)CCC(=O)[O-])c1)C(C)C ZINC000647128587 677295773 /nfs/dbraw/zinc/29/57/73/677295773.db2.gz JMLZDRMVRSEPKH-HNNXBMFYSA-N -2 3 357.428 2.147 20 0 FEADHL COC1(C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C(=O)[O-])CCC1 ZINC000650432194 677374030 /nfs/dbraw/zinc/37/40/30/677374030.db2.gz PWFZZERVCSPNLK-NSHDSACASA-N -2 3 365.810 2.170 20 0 FEADHL COC1(C[C@H]([N-]S(=O)(=O)c2cc(C)c(Cl)s2)C(=O)[O-])CCC1 ZINC000650433119 677374195 /nfs/dbraw/zinc/37/41/95/677374195.db2.gz RJLCBVPEFNKKEL-VIFPVBQESA-N -2 3 367.876 2.401 20 0 FEADHL COc1ccccc1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761239085 680716312 /nfs/dbraw/zinc/71/63/12/680716312.db2.gz AUENHTCYGZNOGA-UHFFFAOYSA-N -2 3 371.361 2.193 20 0 FEADHL CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000761308102 680718776 /nfs/dbraw/zinc/71/87/76/680718776.db2.gz NGMCPCKFNALHBT-JGVFFNPUSA-N -2 3 351.396 2.225 20 0 FEADHL CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1(C)C ZINC000761316859 680719052 /nfs/dbraw/zinc/71/90/52/680719052.db2.gz BNHNPZSNBUCAST-WFASDCNBSA-N -2 3 363.382 2.145 20 0 FEADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-])C1CC1 ZINC000656168113 677718581 /nfs/dbraw/zinc/71/85/81/677718581.db2.gz CXOUPWDTHALWJV-NEPJUHHUSA-N -2 3 365.810 2.026 20 0 FEADHL C[C@](CCF)([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000656725938 677817567 /nfs/dbraw/zinc/81/75/67/677817567.db2.gz WYRHKBXAJCIVMB-CQSZACIVSA-N -2 3 358.416 2.291 20 0 FEADHL CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@@H](C)C(=O)[O-] ZINC000663123656 678694391 /nfs/dbraw/zinc/69/43/91/678694391.db2.gz DZNZCPIICZTKOY-QMMMGPOBSA-N -2 3 367.199 2.226 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)COc2cccc(C)c2)oc1C(=O)[O-] ZINC000663418218 678733966 /nfs/dbraw/zinc/73/39/66/678733966.db2.gz BVIGFKSNAXMGOY-GFCCVEGCSA-N -2 3 353.396 2.340 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)OCO3)oc1C(=O)[O-] ZINC000663421452 678734402 /nfs/dbraw/zinc/73/44/02/678734402.db2.gz PQMAWOSIOJBBEW-SECBINFHSA-N -2 3 353.352 2.054 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)oc1C(=O)[O-] ZINC000663425126 678736150 /nfs/dbraw/zinc/73/61/50/678736150.db2.gz VUBHQKPNNZUZCW-UHFFFAOYSA-N -2 3 356.425 2.491 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2CSc3ccccc3O2)oc1C(=O)[O-] ZINC000663426194 678736562 /nfs/dbraw/zinc/73/65/62/678736562.db2.gz HWZSUKFFZBZTST-SNVBAGLBSA-N -2 3 369.420 2.118 20 0 FEADHL C[C@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1(Cl)Cl ZINC000840892425 680850087 /nfs/dbraw/zinc/85/00/87/680850087.db2.gz RTRFUJRNODJFLN-LLVKDONJSA-N -2 3 356.202 2.386 20 0 FEADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)OCC1CC1 ZINC000840898424 680851182 /nfs/dbraw/zinc/85/11/82/680851182.db2.gz IUZNMRXSLUGJJI-UHFFFAOYSA-N -2 3 363.382 2.147 20 0 FEADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000843295350 680996317 /nfs/dbraw/zinc/99/63/17/680996317.db2.gz MKTQXXYDBLFONF-SFYZADRCSA-N -2 3 353.227 2.310 20 0 FEADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)(CC(=O)[O-])C1 ZINC000844790516 681082578 /nfs/dbraw/zinc/08/25/78/681082578.db2.gz YRBWLVLDQILWFH-XPTSAGLGSA-N -2 3 364.826 2.434 20 0 FEADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)n1 ZINC000844894591 681090688 /nfs/dbraw/zinc/09/06/88/681090688.db2.gz KLQULWBJZIBXNK-SSDOTTSWSA-N -2 3 359.791 2.078 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(=O)[O-] ZINC000776537138 681400988 /nfs/dbraw/zinc/40/09/88/681400988.db2.gz GWAOJRQYNDRRIF-VIFPVBQESA-N -2 3 371.436 2.077 20 0 FEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)c1ccccc1 ZINC000776571645 681408856 /nfs/dbraw/zinc/40/88/56/681408856.db2.gz SXZPXMOJCBKAPP-GFCCVEGCSA-N -2 3 354.815 2.272 20 0 FEADHL C[C@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000776588881 681412017 /nfs/dbraw/zinc/41/20/17/681412017.db2.gz UKNCDFFFVJNWQU-SSDOTTSWSA-N -2 3 370.652 2.492 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)COc2ccc(C)cc2)oc1C(=O)[O-] ZINC000853231384 682395253 /nfs/dbraw/zinc/39/52/53/682395253.db2.gz MPUUHXGJSKLESI-GFCCVEGCSA-N -2 3 353.396 2.340 20 0 FEADHL O=C([O-])/C=C/C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000788447368 682530695 /nfs/dbraw/zinc/53/06/95/682530695.db2.gz MONPHFTVMQAIQI-OWOJBTEDSA-N -2 3 354.609 2.022 20 0 FEADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)o1 ZINC000793345633 682883543 /nfs/dbraw/zinc/88/35/43/682883543.db2.gz LWMJIQGFZQZFHL-UHFFFAOYSA-N -2 3 356.375 2.170 20 0 FEADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])cc1F ZINC000926455316 683127219 /nfs/dbraw/zinc/12/72/19/683127219.db2.gz GOHZZYXLSDIFJI-VIFPVBQESA-N -2 3 351.371 2.285 20 0 FEADHL C[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCOC1 ZINC000871928937 684884353 /nfs/dbraw/zinc/88/43/53/684884353.db2.gz OGXVXPJFLVONBS-GFCCVEGCSA-N -2 3 354.211 2.149 20 0 FEADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000871947798 684891627 /nfs/dbraw/zinc/89/16/27/684891627.db2.gz DOUBSIBSCGIHEF-ZDUSSCGKSA-N -2 3 369.361 2.188 20 0 FEADHL CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871956160 684894056 /nfs/dbraw/zinc/89/40/56/684894056.db2.gz ZXNJGQXUJCQBAV-IYSWYEEDSA-N -2 3 354.247 2.286 20 0 FEADHL O=C([O-])C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000899945633 690446495 /nfs/dbraw/zinc/44/64/95/690446495.db2.gz TXXVPOZMOZBSJS-KCJUWKMLSA-N -2 3 368.238 2.152 20 0 FEADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCSC1 ZINC000903498025 690901481 /nfs/dbraw/zinc/90/14/81/690901481.db2.gz XFHCVBOKCYGJQZ-CQSZACIVSA-N -2 3 370.477 2.049 20 0 FEADHL O=C([O-])[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000905999828 691209640 /nfs/dbraw/zinc/20/96/40/691209640.db2.gz FYSKOWPLLMHAMT-WPRPVWTQSA-N -2 3 368.238 2.294 20 0 FEADHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1 ZINC000013269608 539585857 /nfs/dbraw/zinc/58/58/57/539585857.db2.gz KHKIOEMOARHKJQ-UHFFFAOYSA-N -2 3 368.798 2.199 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)cc1C(=O)[O-] ZINC000032592274 539944533 /nfs/dbraw/zinc/94/45/33/539944533.db2.gz DFTAPFZFGVASJJ-UHFFFAOYSA-N -2 3 372.406 2.134 20 0 FEADHL O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000063155620 541158308 /nfs/dbraw/zinc/15/83/08/541158308.db2.gz KDLXSTWTAVPGBB-VIFPVBQESA-N -2 3 364.217 2.068 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])sc1Br ZINC000094541039 542955719 /nfs/dbraw/zinc/95/57/19/542955719.db2.gz CUQWBBLBQHJIFV-UHFFFAOYSA-N -2 3 356.263 2.351 20 0 FEADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000123877543 543789147 /nfs/dbraw/zinc/78/91/47/543789147.db2.gz WMGGSHZPCWFXKZ-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3c(C)n[nH]c3C)c2)n1 ZINC000055621140 324782723 /nfs/dbraw/zinc/78/27/23/324782723.db2.gz PHCCYBGIELJRBH-UHFFFAOYSA-N -2 3 373.438 2.140 20 0 FEADHL CN(C)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1cccc(F)c1 ZINC000237042074 328502411 /nfs/dbraw/zinc/50/24/11/328502411.db2.gz PNMXULKTPDNEAE-CYBMUJFWSA-N -2 3 372.443 2.167 20 0 FEADHL CCCC1(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000131364883 326573387 /nfs/dbraw/zinc/57/33/87/326573387.db2.gz FEDMMEQLBKIKEQ-UHFFFAOYSA-N -2 3 364.464 2.056 20 0 FEADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161790724 327009201 /nfs/dbraw/zinc/00/92/01/327009201.db2.gz VJUGIVSDHUMXHR-SNVBAGLBSA-N -2 3 368.224 2.366 20 0 FEADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000270856720 329638479 /nfs/dbraw/zinc/63/84/79/329638479.db2.gz ZZQMDGZICPUABH-UHFFFAOYSA-N -2 3 355.391 2.484 20 0 FEADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000275007895 330001626 /nfs/dbraw/zinc/00/16/26/330001626.db2.gz MSMCXGMJWMLJBM-SNVBAGLBSA-N -2 3 354.211 2.094 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCOCC1 ZINC000275044218 330004821 /nfs/dbraw/zinc/00/48/21/330004821.db2.gz WCJJEEKWMOWBMC-UHFFFAOYSA-N -2 3 368.238 2.153 20 0 FEADHL COc1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000275195995 330020835 /nfs/dbraw/zinc/02/08/35/330020835.db2.gz HBKMKFAHDYSVKR-UHFFFAOYSA-N -2 3 371.337 2.072 20 0 FEADHL Cc1nc(CC[N-]S(=O)(=O)c2ccc(C)cc2F)sc1C(=O)[O-] ZINC000275375811 330041503 /nfs/dbraw/zinc/04/15/03/330041503.db2.gz ZFVGYNUWTBWBLZ-UHFFFAOYSA-N -2 3 358.416 2.118 20 0 FEADHL CSc1nnc(C[N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)s1 ZINC000275491132 330054962 /nfs/dbraw/zinc/05/49/62/330054962.db2.gz BDFFKROMSPTQEA-UHFFFAOYSA-N -2 3 373.481 2.054 20 0 FEADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000554430146 674316842 /nfs/dbraw/zinc/31/68/42/674316842.db2.gz FZLGAJSNDRFAPT-MRVPVSSYSA-N -2 3 373.324 2.359 20 0 FEADHL COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000479552856 561191811 /nfs/dbraw/zinc/19/18/11/561191811.db2.gz IMTHMWSFATWPOG-UHFFFAOYSA-N -2 3 369.370 2.407 20 0 FEADHL CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccco1 ZINC000184951858 547906047 /nfs/dbraw/zinc/90/60/47/547906047.db2.gz ZMLNAUJHMXKRLN-LBPRGKRZSA-N -2 3 372.468 2.401 20 0 FEADHL C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000184958523 547907284 /nfs/dbraw/zinc/90/72/84/547907284.db2.gz GQFYCRXNBTUSTB-IJLUTSLNSA-N -2 3 360.501 2.091 20 0 FEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(F)c1 ZINC000485274368 561316115 /nfs/dbraw/zinc/31/61/15/561316115.db2.gz LLOUJNYDCVTZDW-UHFFFAOYSA-N -3 3 357.290 2.162 20 0 FEADHL Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000486185146 561340435 /nfs/dbraw/zinc/34/04/35/561340435.db2.gz GOAJKKKOONHDKZ-UHFFFAOYSA-N -2 3 366.370 2.456 20 0 FEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CSC ZINC000229348997 548755947 /nfs/dbraw/zinc/75/59/47/548755947.db2.gz LYTLVCFBKCXAKF-ZETCQYMHSA-N -2 3 353.849 2.077 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)ccc1[O-] ZINC000488384793 561389053 /nfs/dbraw/zinc/38/90/53/561389053.db2.gz JZIIQOPYUOAPAV-JTQLQIEISA-N -2 3 364.427 2.319 20 0 FEADHL Cc1cc(CN(C)C)cc(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)c1 ZINC000270345556 550263442 /nfs/dbraw/zinc/26/34/42/550263442.db2.gz AEHPDHBRRZTAMX-UHFFFAOYSA-N -2 3 367.409 2.367 20 0 FEADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)o1 ZINC000273707086 550508627 /nfs/dbraw/zinc/50/86/27/550508627.db2.gz OOJJNUJDTIEAIW-AWEZNQCLSA-N -2 3 371.386 2.345 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCSC2)c(Cl)cc1F ZINC000280751755 551028318 /nfs/dbraw/zinc/02/83/18/551028318.db2.gz XHHJWNKNPABUSC-SSDOTTSWSA-N -2 3 353.824 2.209 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1)[C@H]1CCOC1 ZINC000280993958 551052783 /nfs/dbraw/zinc/05/27/83/551052783.db2.gz LBVSRNHKDVAIIG-SFYZADRCSA-N -2 3 368.238 2.395 20 0 FEADHL C[C@H](CCC[N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000281979988 551165235 /nfs/dbraw/zinc/16/52/35/551165235.db2.gz UYSWHRTUBOYNPH-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000285509746 551767322 /nfs/dbraw/zinc/76/73/22/551767322.db2.gz QBXQJCPZTDELGA-BDAKNGLRSA-N -2 3 365.810 2.128 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)c1 ZINC000530148997 562400050 /nfs/dbraw/zinc/40/00/50/562400050.db2.gz BCYUGFMXTFFRED-IACUBPJLSA-N -2 3 353.783 2.248 20 0 FEADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000287555101 552018748 /nfs/dbraw/zinc/01/87/48/552018748.db2.gz OGPQZKARTYQAMO-SSDOTTSWSA-N -2 3 354.247 2.042 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)OC ZINC000290502403 552489317 /nfs/dbraw/zinc/48/93/17/552489317.db2.gz HTUPKENGKRQVHO-SSDOTTSWSA-N -2 3 356.227 2.395 20 0 FEADHL Cc1nc(C=Cc2cccc(O[C@H](C)C(=O)[O-])c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504733507 561661741 /nfs/dbraw/zinc/66/17/41/561661741.db2.gz VNCYJAJNGWSULV-JMEBYUIHSA-N -3 3 358.350 2.140 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1)c1nccs1 ZINC000321927078 553767316 /nfs/dbraw/zinc/76/73/16/553767316.db2.gz YGNMFXCHUQEJNN-LLVKDONJSA-N -2 3 356.425 2.280 20 0 FEADHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000325039945 553774932 /nfs/dbraw/zinc/77/49/32/553774932.db2.gz LXYVNGWMYVMKOR-UHFFFAOYSA-N -2 3 368.798 2.199 20 0 FEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)c1C ZINC000326912683 553784597 /nfs/dbraw/zinc/78/45/97/553784597.db2.gz OUUFJWFCEVDCSS-UHFFFAOYSA-N -2 3 366.370 2.040 20 0 FEADHL COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000327603982 553789961 /nfs/dbraw/zinc/78/99/61/553789961.db2.gz KORIYKVJSUWIIC-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000327614539 553789985 /nfs/dbraw/zinc/78/99/85/553789985.db2.gz MNFMUGDOXHUEFO-UHFFFAOYSA-N -2 3 369.370 2.350 20 0 FEADHL CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000507932761 561746433 /nfs/dbraw/zinc/74/64/33/561746433.db2.gz FLRCEOUHPDSHJN-UHFFFAOYSA-N -2 3 353.371 2.438 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(Cn3cncn3)c2)ccc1C(=O)[O-] ZINC000507978440 561747751 /nfs/dbraw/zinc/74/77/51/561747751.db2.gz HJKJEZUDJHIIQZ-UHFFFAOYSA-N -2 3 372.406 2.134 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)c(C)c1C(=O)[O-] ZINC000512781250 561915112 /nfs/dbraw/zinc/91/51/12/561915112.db2.gz OEUXCERTODDOMS-UHFFFAOYSA-N -2 3 366.370 2.040 20 0 FEADHL COc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000514670279 561972986 /nfs/dbraw/zinc/97/29/86/561972986.db2.gz QDANTAGASDCRKR-SNVBAGLBSA-N -2 3 369.395 2.041 20 0 FEADHL COc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-])c(Cl)c1Cl ZINC000516728296 562055881 /nfs/dbraw/zinc/05/58/81/562055881.db2.gz ZKCQKRCYERXKRA-BQBZGAKWSA-N -2 3 356.227 2.390 20 0 FEADHL Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000517930874 562101007 /nfs/dbraw/zinc/10/10/07/562101007.db2.gz PMBJIICHNMVCHA-SNVBAGLBSA-N -2 3 355.416 2.277 20 0 FEADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]1CCOC2(CCC2)C1 ZINC000372260196 557423368 /nfs/dbraw/zinc/42/33/68/557423368.db2.gz GXXAQHPJBLHLQB-JSGCOSHPSA-N -2 3 371.430 2.215 20 0 FEADHL CCOc1cc(C)ccc1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000521431232 562176223 /nfs/dbraw/zinc/17/62/23/562176223.db2.gz KFGQOYMSRWJRQC-UHFFFAOYSA-N -2 3 356.425 2.027 20 0 FEADHL Cc1c([O-])ccc2c(CN3CCC(c4n[nH]c(=O)[n-]4)CC3)cc(=O)oc12 ZINC000377586561 558371649 /nfs/dbraw/zinc/37/16/49/558371649.db2.gz UREABHNCNXAEKE-UHFFFAOYSA-N -2 3 356.382 2.010 20 0 FEADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000385327128 558606153 /nfs/dbraw/zinc/60/61/53/558606153.db2.gz NRRBJDJOHFMICO-UHFFFAOYSA-N -2 3 356.263 2.290 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)ccc1C(=O)[O-] ZINC000392296241 558616748 /nfs/dbraw/zinc/61/67/48/558616748.db2.gz WSWHTHXXNGAGGI-UHFFFAOYSA-N -2 3 368.798 2.246 20 0 FEADHL C[C@H]1C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(C(=O)[O-])c3)cc21 ZINC000392293641 558617028 /nfs/dbraw/zinc/61/70/28/558617028.db2.gz OLPSZAVBGSVJCL-MRVPVSSYSA-N -2 3 364.354 2.380 20 0 FEADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000408505133 558685409 /nfs/dbraw/zinc/68/54/09/558685409.db2.gz WDZOTRVALGBZOU-YNEHKIRRSA-N -2 3 362.455 2.369 20 0 FEADHL O=C(NCc1ncccc1[O-])c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000526941367 562270092 /nfs/dbraw/zinc/27/00/92/562270092.db2.gz ZECZIUCCHRHKHO-UHFFFAOYSA-N -2 3 374.194 2.321 20 0 FEADHL Cc1ncsc1CC[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000414326767 559156567 /nfs/dbraw/zinc/15/65/67/559156567.db2.gz LWEVMWTUPZCBKR-UHFFFAOYSA-N -2 3 358.416 2.118 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCCc2ncccc2C)c1 ZINC000414337381 559157090 /nfs/dbraw/zinc/15/70/90/559157090.db2.gz QBEAWDBBVJIMHL-UHFFFAOYSA-N -2 3 366.414 2.447 20 0 FEADHL COC(C)(C)CS(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000414374555 559159439 /nfs/dbraw/zinc/15/94/39/559159439.db2.gz OYFYBAYURZNMKD-UHFFFAOYSA-N -2 3 366.233 2.314 20 0 FEADHL O=c1[n-]c(CCCN=c2[n-]c(C(F)(F)F)c(Br)s2)n[nH]1 ZINC000418869028 559420095 /nfs/dbraw/zinc/42/00/95/559420095.db2.gz AJODDEBQBGUTCI-UHFFFAOYSA-N -2 3 372.170 2.793 20 0 FEADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(F)c1 ZINC000425970814 559726212 /nfs/dbraw/zinc/72/62/12/559726212.db2.gz JORPNUHKIFGYGJ-UHFFFAOYSA-N -2 3 372.761 2.077 20 0 FEADHL COC(=O)C1(CS(=O)(=O)[N-]c2cc(OC)ccc2[O-])CCCCC1 ZINC000427284378 559752201 /nfs/dbraw/zinc/75/22/01/559752201.db2.gz LVEZSOPUOZTCFT-UHFFFAOYSA-N -2 3 357.428 2.266 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000436473447 559942241 /nfs/dbraw/zinc/94/22/41/559942241.db2.gz AOJFTUBKYWMLAG-UHFFFAOYSA-N -2 3 369.370 2.139 20 0 FEADHL CC1(C)Cc2ccc(C(=O)Nc3ccc(-n4nn[n-]c4=O)cc3)c([O-])c2O1 ZINC000436595738 559946282 /nfs/dbraw/zinc/94/62/82/559946282.db2.gz NOVMSECQWMCFNJ-UHFFFAOYSA-N -2 3 367.365 2.039 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000436662629 559948086 /nfs/dbraw/zinc/94/80/86/559948086.db2.gz GPELIAIHUUYTPP-UHFFFAOYSA-N -2 3 361.297 2.397 20 0 FEADHL Cc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000436777010 559951645 /nfs/dbraw/zinc/95/16/45/559951645.db2.gz MUHFPBIDSPFMMA-UHFFFAOYSA-N -3 3 364.720 2.495 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2O)ccc1[O-] ZINC000436863752 559954660 /nfs/dbraw/zinc/95/46/60/559954660.db2.gz LKLJBHGTAUUGRA-UHFFFAOYSA-N -2 3 357.771 2.339 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2OC)ccc1[O-] ZINC000436980966 559958312 /nfs/dbraw/zinc/95/83/12/559958312.db2.gz AWSUGMJJSHCKKI-UHFFFAOYSA-N -2 3 351.380 2.297 20 0 FEADHL CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccnc2)cc1F ZINC000441360125 560029924 /nfs/dbraw/zinc/02/99/24/560029924.db2.gz XMQDPNZAAZYRAO-UHFFFAOYSA-N -2 3 373.431 2.172 20 0 FEADHL C[C@@]1(CNC(=O)c2ccccc2[O-])CCN(C(=O)c2ccccc2[O-])C1 ZINC000442844841 560059394 /nfs/dbraw/zinc/05/93/94/560059394.db2.gz SOHLIDYGDPLNDY-FQEVSTJZSA-N -2 3 354.406 2.380 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nc(C3CC3)c(C)o2)ccc1[O-] ZINC000451054254 560284936 /nfs/dbraw/zinc/28/49/36/560284936.db2.gz KNBFTRDYHKFXRC-UHFFFAOYSA-N -2 3 352.368 2.153 20 0 FEADHL CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474435618 561074013 /nfs/dbraw/zinc/07/40/13/561074013.db2.gz SCFOUDPBASRQEC-WRWORJQWSA-N -2 3 352.815 2.087 20 0 FEADHL COc1cc(S(=O)(=O)[N-]c2c[nH]c(=O)c(C)c2)c(Cl)cc1C(=O)[O-] ZINC000535232758 562553562 /nfs/dbraw/zinc/55/35/62/562553562.db2.gz GWRHAFROSOQTDX-UHFFFAOYSA-N -2 3 372.786 2.257 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1C(=O)[O-] ZINC000536396121 562574586 /nfs/dbraw/zinc/57/45/86/562574586.db2.gz SDVLOSAVGSBDCW-UHFFFAOYSA-N -3 3 355.343 2.429 20 0 FEADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000806639046 674384851 /nfs/dbraw/zinc/38/48/51/674384851.db2.gz MSTGVBMLPDIQFR-SNVBAGLBSA-N -2 3 366.208 2.120 20 0 FEADHL Cc1c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cccc1-c1nn[n-]n1 ZINC000822122578 607255061 /nfs/dbraw/zinc/25/50/61/607255061.db2.gz ONWMETNSUSJWBP-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL CC(C)c1cnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000820198569 599233403 /nfs/dbraw/zinc/23/34/03/599233403.db2.gz ZGOSRTXJZDVRJB-UHFFFAOYSA-N -2 3 350.429 2.247 20 0 FEADHL CC(C)c1cnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000820198569 599233405 /nfs/dbraw/zinc/23/34/05/599233405.db2.gz ZGOSRTXJZDVRJB-UHFFFAOYSA-N -2 3 350.429 2.247 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c(C)c1C(=O)[O-] ZINC000821099050 597386086 /nfs/dbraw/zinc/38/60/86/597386086.db2.gz WPYQLOUGHFZSIS-UHFFFAOYSA-N -3 3 363.391 2.430 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C(=O)[O-])s1 ZINC000630436203 676901051 /nfs/dbraw/zinc/90/10/51/676901051.db2.gz RSDPQYCYIZFSNN-IONNQARKSA-N -2 3 368.274 2.351 20 0 FEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCCCCC1 ZINC000823284064 599620151 /nfs/dbraw/zinc/62/01/51/599620151.db2.gz BFKQDNBVVBIYBS-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCCCCC1 ZINC000823284064 599620152 /nfs/dbraw/zinc/62/01/52/599620152.db2.gz BFKQDNBVVBIYBS-UHFFFAOYSA-N -2 3 363.443 2.032 20 0 FEADHL Cc1oc(C(=O)[O-])cc1COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000738965944 599749100 /nfs/dbraw/zinc/74/91/00/599749100.db2.gz MTNPRFYQQWJAOQ-UHFFFAOYSA-N -2 3 371.342 2.154 20 0 FEADHL O=C([O-])c1cnc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)s1 ZINC000740255897 599811776 /nfs/dbraw/zinc/81/17/76/599811776.db2.gz AMGHAJHOACAWSK-UHFFFAOYSA-N -2 3 368.364 2.151 20 0 FEADHL O=C([O-])[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cc(F)ccc1F ZINC000739368299 599990494 /nfs/dbraw/zinc/99/04/94/599990494.db2.gz LOHOYLGJVXLCFW-MRXNPFEDSA-N -2 3 358.300 2.362 20 0 FEADHL Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3[n-]2)C(=O)[O-])cc1 ZINC000738558632 600158608 /nfs/dbraw/zinc/15/86/08/600158608.db2.gz FIXDBAHWMVIITO-HNNXBMFYSA-N -2 3 350.374 2.435 20 0 FEADHL O=C([O-])[C@H](OC(=O)CNC(=O)c1ccc([O-])cc1)c1cccc(Cl)c1 ZINC000739297083 600329101 /nfs/dbraw/zinc/32/91/01/600329101.db2.gz IQTYHGNBXGOMJE-OAHLLOKOSA-N -2 3 363.753 2.145 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(F)cc23)o1 ZINC000833323262 600752590 /nfs/dbraw/zinc/75/25/90/600752590.db2.gz NCHJFTUSSLNUAV-UHFFFAOYSA-N -2 3 352.343 2.119 20 0 FEADHL CC(C)(C(=O)[O-])c1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000826114839 600774948 /nfs/dbraw/zinc/77/49/48/600774948.db2.gz WWYQFQYVGPWEOS-UHFFFAOYSA-N -2 3 356.378 2.123 20 0 FEADHL CC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)c1nccs1 ZINC000567584846 601216621 /nfs/dbraw/zinc/21/66/21/601216621.db2.gz AQXWQSZDNQXXPX-SSDOTTSWSA-N -2 3 362.454 2.341 20 0 FEADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C12CCCC2 ZINC000567730466 601223708 /nfs/dbraw/zinc/22/37/08/601223708.db2.gz CAUWQDOEISHDJZ-QWHCGFSZSA-N -2 3 357.428 2.302 20 0 FEADHL Cc1ccccc1CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000325222778 601228678 /nfs/dbraw/zinc/22/86/78/601228678.db2.gz MUNPGOHYNFSAFL-UHFFFAOYSA-N -2 3 355.362 2.492 20 0 FEADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1nc(CCCC(=O)[O-])cs1 ZINC000325260770 601782721 /nfs/dbraw/zinc/78/27/21/601782721.db2.gz JJXQCCSAECVVAU-UHFFFAOYSA-N -2 3 368.440 2.329 20 0 FEADHL O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000833158296 601885999 /nfs/dbraw/zinc/88/59/99/601885999.db2.gz XUUKDCIUXVUDDM-OCCSQVGLSA-N -2 3 359.382 2.115 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(Cl)n1 ZINC000832419544 602106882 /nfs/dbraw/zinc/10/68/82/602106882.db2.gz LPFSTGGDLFRZFN-UHFFFAOYSA-N -2 3 360.750 2.382 20 0 FEADHL COC[C@](C)(CC(=O)[O-])NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000831559779 602133311 /nfs/dbraw/zinc/13/33/11/602133311.db2.gz ZBTZZLLEMFACAL-SFHVURJKSA-N -2 3 374.397 2.159 20 0 FEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000832852719 602301683 /nfs/dbraw/zinc/30/16/83/602301683.db2.gz HGOJMOLVENHPHZ-UHFFFAOYSA-N -3 3 353.327 2.331 20 0 FEADHL Cc1cc(=O)[n-]c(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)n1 ZINC000832900062 602312351 /nfs/dbraw/zinc/31/23/51/602312351.db2.gz XMJOZQNHZHINGR-CYBMUJFWSA-N -2 3 352.188 2.169 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000739930973 602645388 /nfs/dbraw/zinc/64/53/88/602645388.db2.gz DFUUIPVEYUYKRC-UHFFFAOYSA-N -3 3 366.351 2.284 20 0 FEADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)NC(=O)[O-] ZINC000738795380 602785736 /nfs/dbraw/zinc/78/57/36/602785736.db2.gz WGQNSZZUZYCVJS-JTQLQIEISA-N -2 3 372.340 2.415 20 0 FEADHL CCOCCN1CCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])C[C@@H]1CC ZINC000739486120 602867241 /nfs/dbraw/zinc/86/72/41/602867241.db2.gz DYASHFXUOBLNRL-AWEZNQCLSA-N -2 3 365.430 2.055 20 0 FEADHL O=C([O-])NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000832480786 603128664 /nfs/dbraw/zinc/12/86/64/603128664.db2.gz AQUMDRDBQPAZAH-GZMMTYOYSA-N -2 3 350.799 2.194 20 0 FEADHL O=C([O-])NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000832493190 603129360 /nfs/dbraw/zinc/12/93/60/603129360.db2.gz ZQLSYTUSKWCPKD-PSASIEDQSA-N -2 3 350.799 2.194 20 0 FEADHL O=C([O-])NC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000832514470 603137686 /nfs/dbraw/zinc/13/76/86/603137686.db2.gz NCAWCBZTDIZINR-UFBFGSQYSA-N -2 3 366.361 2.209 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CN(CC3CC3)C(=O)[O-])cc2)n1 ZINC000829894640 603410963 /nfs/dbraw/zinc/41/09/63/603410963.db2.gz VPRYIXWJGAQWNI-UHFFFAOYSA-N -2 3 356.382 2.074 20 0 FEADHL CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)c([O-])c1 ZINC000827344381 603625232 /nfs/dbraw/zinc/62/52/32/603625232.db2.gz XJKSSWVQTVYJBX-PWSUYJOCSA-N -2 3 350.371 2.334 20 0 FEADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000832703845 604274284 /nfs/dbraw/zinc/27/42/84/604274284.db2.gz DUAIIZCLOAXUNG-UHFFFAOYSA-N -2 3 352.343 2.148 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c1F ZINC000833295708 604665312 /nfs/dbraw/zinc/66/53/12/604665312.db2.gz YXBBCRKKAJMLST-SECBINFHSA-N -2 3 361.366 2.043 20 0 FEADHL Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000832932410 604772597 /nfs/dbraw/zinc/77/25/97/604772597.db2.gz JIOVRIODNSVKHI-UHFFFAOYSA-N -2 3 363.439 2.418 20 0 FEADHL CCOc1ccc(C[C@H](C[N-]S(=O)(=O)c2ccc(C)o2)C(=O)[O-])cc1 ZINC000577175125 605009334 /nfs/dbraw/zinc/00/93/34/605009334.db2.gz FZFOFWYSANAKFN-CQSZACIVSA-N -2 3 367.423 2.209 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccccc1C(=O)[O-])C(=O)OC(C)(C)C ZINC000833508613 605048425 /nfs/dbraw/zinc/04/84/25/605048425.db2.gz ZAEVDTMFISMWRB-CQSZACIVSA-N -2 3 371.455 2.171 20 0 FEADHL O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000831779092 605595416 /nfs/dbraw/zinc/59/54/16/605595416.db2.gz ZNDSCUBCUFXTPS-OAHLLOKOSA-N -2 3 364.365 2.083 20 0 FEADHL O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000831779092 605595418 /nfs/dbraw/zinc/59/54/18/605595418.db2.gz ZNDSCUBCUFXTPS-OAHLLOKOSA-N -2 3 364.365 2.083 20 0 FEADHL O=C([O-])N1CCN(C(=O)c2cc3c(cc2[O-])OCO3)c2ccccc2C1 ZINC000834113877 605647273 /nfs/dbraw/zinc/64/72/73/605647273.db2.gz YGXJUGGKYSNNFB-UHFFFAOYSA-N -2 3 356.334 2.261 20 0 FEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](CC(C)C)NC(=O)[O-])cc2)n1 ZINC000829893851 605668093 /nfs/dbraw/zinc/66/80/93/605668093.db2.gz JUZLAEKVMWNAHR-AWEZNQCLSA-N -2 3 358.398 2.366 20 0 FEADHL CC[C@](C)(CNC(=O)[O-])C(=O)NCc1ccc([O-])c(Br)c1 ZINC000833838984 605711794 /nfs/dbraw/zinc/71/17/94/605711794.db2.gz SXEQXVNWVMTLTG-CQSZACIVSA-N -2 3 359.220 2.455 20 0 FEADHL O=C([O-])NC1(C(=O)NCc2ccc([O-])c(Br)c2)CCCC1 ZINC000832172655 605881331 /nfs/dbraw/zinc/88/13/31/605881331.db2.gz NHWSNTFXUJQRQF-UHFFFAOYSA-N -2 3 357.204 2.351 20 0 FEADHL C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820704232 606883092 /nfs/dbraw/zinc/88/30/92/606883092.db2.gz MWSFBMSXHFIBIO-PRHODGIISA-N -2 3 357.386 2.002 20 0 FEADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1nn(-c2ccccc2F)cc1[O-] ZINC000823363407 607021285 /nfs/dbraw/zinc/02/12/85/607021285.db2.gz CEGPUZJXWRCPRP-UHFFFAOYSA-N -2 3 365.328 2.149 20 0 FEADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1nn(-c2ccccc2F)cc1[O-] ZINC000823363407 607021286 /nfs/dbraw/zinc/02/12/86/607021286.db2.gz CEGPUZJXWRCPRP-UHFFFAOYSA-N -2 3 365.328 2.149 20 0 FEADHL O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)cc(Cl)c1[O-] ZINC000823249503 607205512 /nfs/dbraw/zinc/20/55/12/607205512.db2.gz BGJVMRDLLJGSNM-UHFFFAOYSA-N -2 3 365.727 2.434 20 0 FEADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc(F)cc(Cl)c1[O-] ZINC000823249503 607205513 /nfs/dbraw/zinc/20/55/13/607205513.db2.gz BGJVMRDLLJGSNM-UHFFFAOYSA-N -2 3 365.727 2.434 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826289350 608227503 /nfs/dbraw/zinc/22/75/03/608227503.db2.gz WQZKBQYWWBOGSV-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826289350 608227504 /nfs/dbraw/zinc/22/75/04/608227504.db2.gz WQZKBQYWWBOGSV-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825052136 609146652 /nfs/dbraw/zinc/14/66/52/609146652.db2.gz UYFHJCDFENAJMT-DTWKUNHWSA-N -2 3 371.850 2.007 20 0 FEADHL CC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825052136 609146653 /nfs/dbraw/zinc/14/66/53/609146653.db2.gz UYFHJCDFENAJMT-DTWKUNHWSA-N -2 3 371.850 2.007 20 0 FEADHL O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[N-]OC/C=C/Cl ZINC000812398661 674672269 /nfs/dbraw/zinc/67/22/69/674672269.db2.gz VWGYQVATECVKHN-GORDUTHDSA-N -2 3 373.645 2.072 20 0 FEADHL C[C@@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000563075511 674845423 /nfs/dbraw/zinc/84/54/23/674845423.db2.gz IJLNJMVDMYZFHU-NSHDSACASA-N -2 3 351.428 2.143 20 0 FEADHL O=C([O-])c1csc(S(=O)(=O)[N-]N=c2ccc(C(F)(F)F)c[nH]2)c1 ZINC000015243977 670010660 /nfs/dbraw/zinc/01/06/60/670010660.db2.gz GOULBRVEXSDPPI-UHFFFAOYSA-N -2 3 367.330 2.166 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc([S@@](C)=O)cc2)cc1C(=O)[O-] ZINC000572599206 671021697 /nfs/dbraw/zinc/02/16/97/671021697.db2.gz SMYYBQNKXVSSPD-XQHREBAHSA-N -2 3 371.436 2.063 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCCOc3c(F)cccc32)c1 ZINC000573603521 671141826 /nfs/dbraw/zinc/14/18/26/671141826.db2.gz DKNUYSTYXDSALZ-LBPRGKRZSA-N -2 3 355.343 2.309 20 0 FEADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cnccc1C(F)(F)F 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/nfs/dbraw/zinc/88/47/40/560884740.db2.gz QWNJJQOXSZTXHV-UHFFFAOYSA-N -2 3 363.395 2.245 20 0 FEADHL CC(C)n1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC000530472476 562412594 /nfs/dbraw/zinc/41/25/94/562412594.db2.gz FEPCBPMYAKDLMC-CYBMUJFWSA-N -2 3 357.819 2.222 20 0 FEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C(=O)[O-] ZINC000534145966 562526476 /nfs/dbraw/zinc/52/64/76/562526476.db2.gz DUYLXEKNZDMJTA-UHFFFAOYSA-N -3 3 359.356 2.393 20 0 FEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C(=O)[O-] ZINC000534880459 562544511 /nfs/dbraw/zinc/54/45/11/562544511.db2.gz LUUBVUUFPQFVQU-UHFFFAOYSA-N -3 3 371.317 2.470 20 0 FEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCS[C@@H]1C ZINC000319649881 568224108 /nfs/dbraw/zinc/22/41/08/568224108.db2.gz CXYMICDHTBDDIW-XCBNKYQSSA-N -2 3 365.860 2.219 20 0 FEADHL Cc1ccnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000737437990 598890920 /nfs/dbraw/zinc/89/09/20/598890920.db2.gz WXRYOFDQDYEZDU-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736655848 598946509 /nfs/dbraw/zinc/94/65/09/598946509.db2.gz XUCKVQGDWZSFBJ-UHFFFAOYSA-N -2 3 359.411 2.375 20 0 FEADHL CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736655848 598946510 /nfs/dbraw/zinc/94/65/10/598946510.db2.gz XUCKVQGDWZSFBJ-UHFFFAOYSA-N -2 3 359.411 2.375 20 0 FEADHL Cc1c([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cccc1-c1nnn[n-]1 ZINC000822121774 607255758 /nfs/dbraw/zinc/25/57/58/607255758.db2.gz GSCMGRXMJVVZRP-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL Cc1c([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cccc1-c1nn[n-]n1 ZINC000822121774 607255759 /nfs/dbraw/zinc/25/57/59/607255759.db2.gz GSCMGRXMJVVZRP-UHFFFAOYSA-N -2 3 369.328 2.393 20 0 FEADHL O=C([O-])[C@@H](CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000737805811 598617692 /nfs/dbraw/zinc/61/76/92/598617692.db2.gz ALDLCUUQPOBHTQ-LBPRGKRZSA-N -2 3 355.329 2.203 20 0 FEADHL O=C([O-])[C@@H](CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000737805811 598617694 /nfs/dbraw/zinc/61/76/94/598617694.db2.gz ALDLCUUQPOBHTQ-LBPRGKRZSA-N -2 3 355.329 2.203 20 0 FEADHL CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821051021 599619809 /nfs/dbraw/zinc/61/98/09/599619809.db2.gz WVUONLMMQQBLIY-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821051021 599619810 /nfs/dbraw/zinc/61/98/10/599619810.db2.gz WVUONLMMQQBLIY-LBPRGKRZSA-N -2 3 365.459 2.278 20 0 FEADHL O=C([O-])Nc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1F ZINC000740012636 600101672 /nfs/dbraw/zinc/10/16/72/600101672.db2.gz PMAQVHUDIXIXTR-UHFFFAOYSA-N -3 3 354.315 2.415 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCOCC2)o1 ZINC000740174098 600638103 /nfs/dbraw/zinc/63/81/03/600638103.db2.gz RXFRROCQNPVLPU-INIZCTEOSA-N -2 3 365.407 2.424 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1C(=O)[O-] ZINC000738069533 600659333 /nfs/dbraw/zinc/65/93/33/600659333.db2.gz IFYSHGKWNVYGCP-UHFFFAOYSA-N -2 3 373.390 2.380 20 0 FEADHL Cc1nc(C)c(CCC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c(=O)[n-]1 ZINC000738848586 600848272 /nfs/dbraw/zinc/84/82/72/600848272.db2.gz XDQIVILKSFELRM-CYBMUJFWSA-N -2 3 355.394 2.337 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2cccc(F)c2)c1F ZINC000325111832 600991989 /nfs/dbraw/zinc/99/19/89/600991989.db2.gz GNRFFVWPVNZLRD-UHFFFAOYSA-N -2 3 359.325 2.323 20 0 FEADHL Cc1nc(C)c(CCC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(=O)[n-]1 ZINC000832995414 601169908 /nfs/dbraw/zinc/16/99/08/601169908.db2.gz YEUCPJFPDPWMOW-APPDUMDISA-N -2 3 357.410 2.310 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]Cc2nc(C)c3ccccc3n2)cc1C(=O)[O-] ZINC000833027418 601219892 /nfs/dbraw/zinc/21/98/92/601219892.db2.gz STCCSCQVZQHATB-UHFFFAOYSA-N -2 3 361.379 2.016 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]C[C@H](C)Oc2cccc(C)c2)cc1C(=O)[O-] ZINC000645983079 601223026 /nfs/dbraw/zinc/22/30/26/601223026.db2.gz RIIZBEXAGVIADC-NSHDSACASA-N -2 3 353.396 2.340 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)c1F ZINC000324657173 601232492 /nfs/dbraw/zinc/23/24/92/601232492.db2.gz BSCPCJLZDAKALO-PWSUYJOCSA-N -2 3 353.346 2.497 20 0 FEADHL Cc1ccccc1OCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832982042 601233213 /nfs/dbraw/zinc/23/32/13/601233213.db2.gz WHJPNTMKDJZSQU-UHFFFAOYSA-N -2 3 371.361 2.329 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C)c1ccco1 ZINC000563073538 601262566 /nfs/dbraw/zinc/26/25/66/601262566.db2.gz WESTZFBDAQGWRY-ZDUSSCGKSA-N -2 3 353.396 2.261 20 0 FEADHL Cc1sc(C(=O)[O-])cc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000833033105 601618205 /nfs/dbraw/zinc/61/82/05/601618205.db2.gz VIGMRJPRNSKRRH-UHFFFAOYSA-N -2 3 360.435 2.418 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c(CN(C)C)c1 ZINC000832950650 601769429 /nfs/dbraw/zinc/76/94/29/601769429.db2.gz RXCFFDOVYMEEJX-UHFFFAOYSA-N -2 3 355.441 2.012 20 0 FEADHL O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000740477988 601893157 /nfs/dbraw/zinc/89/31/57/601893157.db2.gz LTXVKDWJAVACHG-RTXFEEFZSA-N -2 3 356.386 2.116 20 0 FEADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC(C)(C)C ZINC000826808939 601968473 /nfs/dbraw/zinc/96/84/73/601968473.db2.gz VYOBNIRBIOLFFL-SNVBAGLBSA-N -2 3 361.416 2.013 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)o1 ZINC000833323349 602007513 /nfs/dbraw/zinc/00/75/13/602007513.db2.gz FDALUYCAJPXHEC-UHFFFAOYSA-N -2 3 354.365 2.173 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CCC1 ZINC000558473353 674498296 /nfs/dbraw/zinc/49/82/96/674498296.db2.gz QOYBXXTZMLBSED-UHFFFAOYSA-N -2 3 371.308 2.258 20 0 FEADHL O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000740468416 602359385 /nfs/dbraw/zinc/35/93/85/602359385.db2.gz HUUZYRRJEVLYOC-HONMWMINSA-N -2 3 356.386 2.116 20 0 FEADHL O=C([O-])N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000740468416 602359388 /nfs/dbraw/zinc/35/93/88/602359388.db2.gz HUUZYRRJEVLYOC-HONMWMINSA-N -2 3 356.386 2.116 20 0 FEADHL O=C([O-])NCCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000740650848 602388347 /nfs/dbraw/zinc/38/83/47/602388347.db2.gz ADPSLCXHKPQBPE-UHFFFAOYSA-N -2 3 371.640 2.039 20 0 FEADHL O=C([O-])NC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CCCCC1 ZINC000740610741 602542058 /nfs/dbraw/zinc/54/20/58/602542058.db2.gz GWTIIDREDYAIOT-INIZCTEOSA-N -2 3 357.410 2.474 20 0 FEADHL O=C([O-])N1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000740521438 602592607 /nfs/dbraw/zinc/59/26/07/602592607.db2.gz REAQKZINRHLCKU-MRVPVSSYSA-N -2 3 353.227 2.414 20 0 FEADHL CN1CCN(c2ccc(NC(=O)c3ccc(NC(=O)[O-])cc3[O-])cc2)CC1 ZINC000739735699 602842658 /nfs/dbraw/zinc/84/26/58/602842658.db2.gz DCNVHUHJHBZXBW-UHFFFAOYSA-N -2 3 370.409 2.486 20 0 FEADHL O=C([O-])N[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000740540246 603020998 /nfs/dbraw/zinc/02/09/98/603020998.db2.gz ZRIOJLKGXLEIJL-MRXNPFEDSA-N -2 3 351.362 2.267 20 0 FEADHL O=C([O-])NC[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C1CC1 ZINC000740611802 603068418 /nfs/dbraw/zinc/06/84/18/603068418.db2.gz GUEDSMLBLAVBOB-LBPRGKRZSA-N -2 3 367.452 2.135 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N[C@@H](CNC(=O)[O-])C3CC3)cc2)cc(=O)[n-]1 ZINC000740206926 603073842 /nfs/dbraw/zinc/07/38/42/603073842.db2.gz HNZDBRIDWZYYDS-HNNXBMFYSA-N -2 3 371.397 2.325 20 0 FEADHL CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[C@H](NC(=O)[O-])C2)c([O-])c1 ZINC000827344380 603625534 /nfs/dbraw/zinc/62/55/34/603625534.db2.gz XJKSSWVQTVYJBX-JQWIXIFHSA-N -2 3 350.371 2.334 20 0 FEADHL O=C([O-])Nc1cc2c(cc1NC(=O)c1nnc3ccccc3c1[O-])OCO2 ZINC000832828311 604004168 /nfs/dbraw/zinc/00/41/68/604004168.db2.gz DWTJGMDCKBCDJN-UHFFFAOYSA-N -2 3 368.305 2.406 20 0 FEADHL Cc1nc(C)c(CCC(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)c(=O)[n-]1 ZINC000833754834 604880257 /nfs/dbraw/zinc/88/02/57/604880257.db2.gz KSQRCJRWOBXNKQ-UHFFFAOYSA-N -2 3 362.411 2.402 20 0 FEADHL CCc1nc(C2([N-]S(=O)(=O)c3ccccc3C(=O)[O-])CCCC2)no1 ZINC000566180393 605042811 /nfs/dbraw/zinc/04/28/11/605042811.db2.gz IJLPYTBTGCJSRT-UHFFFAOYSA-N -2 3 365.411 2.078 20 0 FEADHL CN(C)c1cc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])ccn1 ZINC000833690847 605182373 /nfs/dbraw/zinc/18/23/73/605182373.db2.gz HBSOVUSYFZFVKV-UHFFFAOYSA-N -2 3 372.406 2.195 20 0 FEADHL CN(C(=O)[O-])[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000827858004 605190150 /nfs/dbraw/zinc/19/01/50/605190150.db2.gz JGHFCODINOURDW-SNVBAGLBSA-N -2 3 372.219 2.048 20 0 FEADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000821309201 606600014 /nfs/dbraw/zinc/60/00/14/606600014.db2.gz KASNGRVDWZRONV-UHFFFAOYSA-N -2 3 362.390 2.238 20 0 FEADHL CC(C)c1nnc([N-]C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000820211306 606667853 /nfs/dbraw/zinc/66/78/53/606667853.db2.gz HSPLKDMAUBWJHZ-UHFFFAOYSA-N -2 3 351.342 2.372 20 0 FEADHL O=S(=O)(C=Cc1ccc(Cl)cc1)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000823557972 607026632 /nfs/dbraw/zinc/02/66/32/607026632.db2.gz XHIIBGAQFCCIPZ-WAYWQWQTSA-N -2 3 368.831 2.389 20 0 FEADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000820542620 607110336 /nfs/dbraw/zinc/11/03/36/607110336.db2.gz PHDDFZKBCYDTBJ-SECBINFHSA-N -2 3 371.328 2.110 20 0 FEADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000820542620 607110337 /nfs/dbraw/zinc/11/03/37/607110337.db2.gz PHDDFZKBCYDTBJ-SECBINFHSA-N -2 3 371.328 2.110 20 0 FEADHL CCCC(=CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)CCC ZINC000825221132 608193730 /nfs/dbraw/zinc/19/37/30/608193730.db2.gz YHNAOZKCQCCROX-UHFFFAOYSA-N -2 3 363.443 2.198 20 0 FEADHL CCCC(=CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)CCC ZINC000825221132 608193732 /nfs/dbraw/zinc/19/37/32/608193732.db2.gz YHNAOZKCQCCROX-UHFFFAOYSA-N -2 3 363.443 2.198 20 0 FEADHL Cc1ccncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826315744 609264395 /nfs/dbraw/zinc/26/43/95/609264395.db2.gz SCJOYFFWAUYICJ-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ccncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826315744 609264396 /nfs/dbraw/zinc/26/43/96/609264396.db2.gz SCJOYFFWAUYICJ-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826366190 609383361 /nfs/dbraw/zinc/38/33/61/609383361.db2.gz WRDCNIXTDFSMSR-UHFFFAOYSA-N -2 3 373.442 2.059 20 0 FEADHL Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826366190 609383363 /nfs/dbraw/zinc/38/33/63/609383363.db2.gz WRDCNIXTDFSMSR-UHFFFAOYSA-N -2 3 373.442 2.059 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)Oc1cccc(C)c1 ZINC000571281287 670848886 /nfs/dbraw/zinc/84/88/86/670848886.db2.gz PBHYZKDSIOPVOE-ZDUSSCGKSA-N -2 3 353.396 2.422 20 0 FEADHL COc1ccc([C@H](OC)[C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000571675477 670910526 /nfs/dbraw/zinc/91/05/26/670910526.db2.gz WGCWRECPMGAMGG-ZUZCIYMTSA-N -2 3 369.395 2.041 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000572360309 670992497 /nfs/dbraw/zinc/99/24/97/670992497.db2.gz RGBIABPAUGBISQ-UKRRQHHQSA-N -2 3 351.380 2.095 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)Oc1ccccc1F ZINC000573086981 671080605 /nfs/dbraw/zinc/08/06/05/671080605.db2.gz WPBBDBDHRYZQPH-NSHDSACASA-N -2 3 357.359 2.253 20 0 FEADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@]1(CC(=O)[O-])CCOC1 ZINC000573677326 671150199 /nfs/dbraw/zinc/15/01/99/671150199.db2.gz XAJUZAHVVZRWRT-OAHLLOKOSA-N -2 3 373.814 2.307 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2c2ccccc2)c1 ZINC000566066414 675177607 /nfs/dbraw/zinc/17/76/07/675177607.db2.gz RGJUSGRXWNGSBH-CZUORRHYSA-N -2 3 365.407 2.424 20 0 FEADHL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1F ZINC000579577344 671745990 /nfs/dbraw/zinc/74/59/90/671745990.db2.gz SZHAOSYHHNXRBM-UHFFFAOYSA-N -3 3 369.326 2.032 20 0 FEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000581282874 671881398 /nfs/dbraw/zinc/88/13/98/671881398.db2.gz JDMDRKVSHCELLA-UHFFFAOYSA-N -2 3 372.443 2.151 20 0 FEADHL O=C([O-])[C@@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1ccco1 ZINC000582395188 671997982 /nfs/dbraw/zinc/99/79/82/671997982.db2.gz OWXVQJBGYSXFOC-LLVKDONJSA-N -2 3 374.212 2.016 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])c(F)cc1Br ZINC000583309566 672083056 /nfs/dbraw/zinc/08/30/56/672083056.db2.gz VHQVKHGOHMARTR-QMMMGPOBSA-N -2 3 368.224 2.428 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2cccc(F)c2)c(F)cc1F ZINC000184888773 672510577 /nfs/dbraw/zinc/51/05/77/672510577.db2.gz CHUTXTACRSJSIN-UHFFFAOYSA-N -2 3 359.325 2.323 20 0 FEADHL CCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cs1 ZINC000185014555 672515950 /nfs/dbraw/zinc/51/59/50/672515950.db2.gz XHFHITSZNSDDSR-UHFFFAOYSA-N -2 3 362.379 2.160 20 0 FEADHL CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000189256314 672611560 /nfs/dbraw/zinc/61/15/60/672611560.db2.gz ORELEDGUYCJPGH-SSDOTTSWSA-N -2 3 367.240 2.252 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1Cl ZINC000592429665 672801060 /nfs/dbraw/zinc/80/10/60/672801060.db2.gz NGULXLVSQDIXEE-UHFFFAOYSA-N -2 3 350.783 2.333 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)ccc1[O-] ZINC000481590841 673321569 /nfs/dbraw/zinc/32/15/69/673321569.db2.gz HNRICPIHBDXUCY-UHFFFAOYSA-N -2 3 352.416 2.103 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)c1 ZINC000539398453 673488341 /nfs/dbraw/zinc/48/83/41/673488341.db2.gz HSKLKCSSIXCLEO-UHFFFAOYSA-N -2 3 359.407 2.446 20 0 FEADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC000547570058 673865514 /nfs/dbraw/zinc/86/55/14/673865514.db2.gz SNZYEEJBJJYAPT-UHFFFAOYSA-N -2 3 370.333 2.422 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000548240349 673940385 /nfs/dbraw/zinc/94/03/85/673940385.db2.gz YPTYIIKGKJMXHQ-GFCCVEGCSA-N -2 3 360.844 2.463 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccccc2C(=O)[O-])cc1F ZINC000548240402 673940811 /nfs/dbraw/zinc/94/08/11/673940811.db2.gz BHYLQPXGTFDCRJ-UHFFFAOYSA-N -2 3 355.362 2.492 20 0 FEADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000548590059 673977183 /nfs/dbraw/zinc/97/71/83/673977183.db2.gz OQFVXMZGVRUOFP-SECBINFHSA-N -2 3 368.224 2.223 20 0 FEADHL Cc1ccc(CSCC[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000567609799 675306192 /nfs/dbraw/zinc/30/61/92/675306192.db2.gz ZMQSTFFTUVLUPH-UHFFFAOYSA-N -2 3 372.493 2.361 20 0 FEADHL O=S(=O)(C=Cc1ccccc1Cl)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000823556932 675559965 /nfs/dbraw/zinc/55/99/65/675559965.db2.gz CAKFKZVGKWEPBC-AATRIKPKSA-N -2 3 368.831 2.389 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)cc1F ZINC000826292757 675685458 /nfs/dbraw/zinc/68/54/58/675685458.db2.gz KIUBRXYCGNLYMI-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1-c1nn[n-]n1)c1ccc(F)c(F)c1 ZINC000826493179 675689419 /nfs/dbraw/zinc/68/94/19/675689419.db2.gz XEIYJAZYRPSLNF-UHFFFAOYSA-N -2 3 355.301 2.085 20 0 FEADHL COCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1ccc(C)o1 ZINC000829665976 675886720 /nfs/dbraw/zinc/88/67/20/675886720.db2.gz ZPAKXCDZDFXRRW-ZDUSSCGKSA-N -2 3 371.386 2.481 20 0 FEADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000645967860 677276077 /nfs/dbraw/zinc/27/60/77/677276077.db2.gz QUTHAYKDOBGBJN-UHFFFAOYSA-N -2 3 359.297 2.153 20 0 FEADHL CC[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000649263057 677328332 /nfs/dbraw/zinc/32/83/32/677328332.db2.gz SSDDPIFZYVWLFC-MRVPVSSYSA-N -2 3 367.199 2.131 20 0 FEADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000650426134 677373226 /nfs/dbraw/zinc/37/32/26/677373226.db2.gz BZBWGKMFRPMDGV-SSDOTTSWSA-N -2 3 366.208 2.120 20 0 FEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000761231884 680715843 /nfs/dbraw/zinc/71/58/43/680715843.db2.gz PNCKLFISFNNRIM-MRVPVSSYSA-N -2 3 354.211 2.149 20 0 FEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC[C@]1(C)CC1(F)F ZINC000656731675 677821017 /nfs/dbraw/zinc/82/10/17/677821017.db2.gz UMAGYQBOCLTFBX-LLVKDONJSA-N -2 3 355.384 2.169 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)(C)C)oc1C(=O)[O-] ZINC000663422893 678735105 /nfs/dbraw/zinc/73/51/05/678735105.db2.gz IIZOSXUTERYLPP-FZMZJTMJSA-N -2 3 359.444 2.406 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]Cc2cccc(OC3CC3)c2F)oc1C(=O)[O-] ZINC000663429102 678737556 /nfs/dbraw/zinc/73/75/56/678737556.db2.gz YTUMBYMLWWKIDB-UHFFFAOYSA-N -2 3 369.370 2.445 20 0 FEADHL O=C([O-])c1cnc(C=Cc2cnc3ccc(Br)cn23)[n-]c1=O ZINC000670370151 679279755 /nfs/dbraw/zinc/27/97/55/679279755.db2.gz FPEKNNQHGPLSAM-NSCUHMNNSA-N -2 3 361.155 2.461 20 0 FEADHL O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000843295824 680996315 /nfs/dbraw/zinc/99/63/15/680996315.db2.gz GHBUIXFBPNRCTL-SFYZADRCSA-N -2 3 353.227 2.310 20 0 FEADHL Cc1c(C(=O)[O-])sc2ncnc(NCc3nc(C(F)(F)F)n[n-]3)c12 ZINC000844214890 681045092 /nfs/dbraw/zinc/04/50/92/681045092.db2.gz XJRYWSDWNOHFPK-UHFFFAOYSA-N -2 3 358.305 2.447 20 0 FEADHL CC(C)OCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000844895881 681091181 /nfs/dbraw/zinc/09/11/81/681091181.db2.gz ICPVEKDTCKMHBM-UHFFFAOYSA-N -2 3 356.227 2.395 20 0 FEADHL O=C([O-])C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000776610879 681416403 /nfs/dbraw/zinc/41/64/03/681416403.db2.gz KKXNHXUXEDWFAS-NSHDSACASA-N -2 3 373.352 2.468 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])Cc2ccccc2)s1 ZINC000776613139 681416984 /nfs/dbraw/zinc/41/69/84/681416984.db2.gz HYEOEUXRQXTBIU-LBPRGKRZSA-N -2 3 354.453 2.070 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)cc1C ZINC000915187168 685512957 /nfs/dbraw/zinc/51/29/57/685512957.db2.gz NACBHTZMWGPIQZ-UHFFFAOYSA-N -2 3 365.363 2.231 20 0 FEADHL CCC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000788438989 682529867 /nfs/dbraw/zinc/52/98/67/682529867.db2.gz OOHJVZDSCLZHAM-SSDOTTSWSA-N -2 3 369.848 2.028 20 0 FEADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2 ZINC000793394871 682886542 /nfs/dbraw/zinc/88/65/42/682886542.db2.gz OPUOCYPLXFHRFI-UHFFFAOYSA-N -2 3 364.354 2.128 20 0 FEADHL O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)c1cc([O-])cc(Br)c1 ZINC000910248570 691906545 /nfs/dbraw/zinc/90/65/45/691906545.db2.gz ZFLKHHRCCCSKFB-TVQRCGJNSA-N -2 3 372.215 2.154 20 0 FEADHL Cc1cccc([C@@H](NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C(=O)[O-])c1C ZINC000584876578 939800534 /nfs/dbraw/zinc/80/05/34/939800534.db2.gz VIGZGQGOCXGXHO-OAHLLOKOSA-N -2 3 367.361 2.134 20 0 FEADHL COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(F)cc1F ZINC000024428150 539730409 /nfs/dbraw/zinc/73/04/09/539730409.db2.gz LBFSJKXMYLEHLI-UHFFFAOYSA-N -2 3 371.317 2.250 20 0 FEADHL CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2cccs2)ccc1F ZINC000029403308 539852867 /nfs/dbraw/zinc/85/28/67/539852867.db2.gz HVWURMXHBTUMOS-UHFFFAOYSA-N -2 3 350.418 2.060 20 0 FEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(F)cc2Br)CCCC1 ZINC000037574041 539997103 /nfs/dbraw/zinc/99/71/03/539997103.db2.gz VRPRTYMLJOTHTQ-UHFFFAOYSA-N -2 3 366.208 2.264 20 0 FEADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000053307925 540525431 /nfs/dbraw/zinc/52/54/31/540525431.db2.gz IKGLZCDOUIIMOO-UHFFFAOYSA-N -2 3 357.391 2.152 20 0 FEADHL C[C@@H](CN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-])c1nnn[n-]1 ZINC000124574521 543830275 /nfs/dbraw/zinc/83/02/75/543830275.db2.gz UQXCRINXSFATME-ZDUSSCGKSA-N -2 3 367.409 2.360 20 0 FEADHL C[C@@H](CN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-])c1nn[n-]n1 ZINC000124574521 543830279 /nfs/dbraw/zinc/83/02/79/543830279.db2.gz UQXCRINXSFATME-ZDUSSCGKSA-N -2 3 367.409 2.360 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)sc1Br ZINC000126279885 543927976 /nfs/dbraw/zinc/92/79/76/543927976.db2.gz IRGJASWRROHOLW-SFYZADRCSA-N -2 3 366.258 2.127 20 0 FEADHL O=C1Cc2cc(S(=O)(=O)[N-]c3cccc([O-])c3F)c(Cl)cc2N1 ZINC000131530690 544194217 /nfs/dbraw/zinc/19/42/17/544194217.db2.gz MLJQNWHBHWXZBG-UHFFFAOYSA-N -2 3 356.762 2.480 20 0 FEADHL Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1ccc([O-])c(F)c1 ZINC000133105287 544256708 /nfs/dbraw/zinc/25/67/08/544256708.db2.gz QQEXGJLVWKHNNJ-UHFFFAOYSA-N -2 3 358.373 2.145 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000152777439 544694919 /nfs/dbraw/zinc/69/49/19/544694919.db2.gz BAPKKUPHVTZKLO-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000152777439 544694924 /nfs/dbraw/zinc/69/49/24/544694924.db2.gz BAPKKUPHVTZKLO-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153660558 544804823 /nfs/dbraw/zinc/80/48/23/544804823.db2.gz YGGURFCHKCVZOS-MRVPVSSYSA-N -2 3 360.844 2.413 20 0 FEADHL O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000121122958 326314880 /nfs/dbraw/zinc/31/48/80/326314880.db2.gz ZCVLVRTVCWJNLN-UHFFFAOYSA-N -2 3 360.797 2.349 20 0 FEADHL Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000123839950 326443234 /nfs/dbraw/zinc/44/32/34/326443234.db2.gz QTHXKTHHVGKCDG-UHFFFAOYSA-N -2 3 358.803 2.430 20 0 FEADHL O=C([O-])c1cc([N-]S(=O)(=O)C[C@@H]2CCCO2)ccc1Br ZINC000132368445 326591564 /nfs/dbraw/zinc/59/15/64/326591564.db2.gz GYCYNXPLZMDGFQ-VIFPVBQESA-N -2 3 364.217 2.068 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000156251808 326823481 /nfs/dbraw/zinc/82/34/81/326823481.db2.gz MWJCIUMYGSXUAQ-UHFFFAOYSA-N -2 3 372.805 2.486 20 0 FEADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000270421825 329599384 /nfs/dbraw/zinc/59/93/84/329599384.db2.gz FRYVEHDJCOFYKX-LURJTMIESA-N -2 3 356.625 2.244 20 0 FEADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CCO1 ZINC000273708416 329885397 /nfs/dbraw/zinc/88/53/97/329885397.db2.gz ORBOPVSOWIGDGX-JGVFFNPUSA-N -2 3 351.783 2.023 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCOC2)cc(Cl)c1Cl ZINC000273719701 329886157 /nfs/dbraw/zinc/88/61/57/329886157.db2.gz QKBZJQRYCHHGFS-SSDOTTSWSA-N -2 3 354.211 2.006 20 0 FEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2F)nc1C1CC1 ZINC000275008113 330001709 /nfs/dbraw/zinc/00/17/09/330001709.db2.gz PLQWWYUEPBPGNZ-UHFFFAOYSA-N -2 3 368.361 2.414 20 0 FEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(C)c1C ZINC000275318552 330034518 /nfs/dbraw/zinc/03/45/18/330034518.db2.gz XLPABMQCLARRJR-LBPRGKRZSA-N -2 3 371.846 2.103 20 0 FEADHL CC(C)[C@H](C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000554430149 674316763 /nfs/dbraw/zinc/31/67/63/674316763.db2.gz FZLGAJSNDRFAPT-QMMMGPOBSA-N -2 3 373.324 2.359 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CCC1 ZINC000554433839 674317019 /nfs/dbraw/zinc/31/70/19/674317019.db2.gz XJRTZTMKZHLRSJ-JTQLQIEISA-N -2 3 371.308 2.256 20 0 FEADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000554433653 674317085 /nfs/dbraw/zinc/31/70/85/674317085.db2.gz KHQQMQVEGKLNAF-DTWKUNHWSA-N -2 3 354.350 2.268 20 0 FEADHL COc1ccc(-c2n[n-]c(=NC(=O)NCc3cnc(C)[n-]c3=O)s2)cc1 ZINC000481973161 538601534 /nfs/dbraw/zinc/60/15/34/538601534.db2.gz PKAYUAUZKMPWRN-UHFFFAOYSA-N -2 3 372.410 2.339 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1ccc2ncsc2c1 ZINC000479504602 561190847 /nfs/dbraw/zinc/19/08/47/561190847.db2.gz SAUPIYBPJTYBAY-UHFFFAOYSA-N -2 3 358.408 2.277 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc2ncsc2c1 ZINC000479504602 561190848 /nfs/dbraw/zinc/19/08/48/561190848.db2.gz SAUPIYBPJTYBAY-UHFFFAOYSA-N -2 3 358.408 2.277 20 0 FEADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000178806385 546853013 /nfs/dbraw/zinc/85/30/13/546853013.db2.gz UBNCBFOQMRNRCQ-UHFFFAOYSA-N -2 3 358.416 2.306 20 0 FEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@H](c2ccco2)N(C)C)c1 ZINC000184871201 547890189 /nfs/dbraw/zinc/89/01/89/547890189.db2.gz QZQXPZQFNAPQAP-GFCCVEGCSA-N -2 3 370.402 2.007 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000486767475 561356130 /nfs/dbraw/zinc/35/61/30/561356130.db2.gz APMBGYLJBAEQOR-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000486767475 561356131 /nfs/dbraw/zinc/35/61/31/561356131.db2.gz APMBGYLJBAEQOR-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H](C)CSC ZINC000229349008 548755108 /nfs/dbraw/zinc/75/51/08/548755108.db2.gz LYTLVCFBKCXAKF-SSDOTTSWSA-N -2 3 353.849 2.077 20 0 FEADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2scnc2C2CCCC2)s1 ZINC000273618932 550505613 /nfs/dbraw/zinc/50/56/13/550505613.db2.gz UMYPQXQLMPEFAG-UHFFFAOYSA-N -2 3 373.485 2.276 20 0 FEADHL Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)s1 ZINC000273731425 550509563 /nfs/dbraw/zinc/50/95/63/550509563.db2.gz NOVGMZKGMAKNFL-UHFFFAOYSA-N -2 3 358.416 2.384 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000274941238 550566084 /nfs/dbraw/zinc/56/60/84/550566084.db2.gz FBPRPGATGUQEIL-GWCFXTLKSA-N -2 3 355.437 2.497 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)C[C@H]2CCOC2)c(SCCC(=O)[O-])c1 ZINC000274957051 550567575 /nfs/dbraw/zinc/56/75/75/550567575.db2.gz IRTZQOZFHAIMCU-LBPRGKRZSA-N -2 3 359.469 2.340 20 0 FEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])c(C)c1Cl ZINC000278703155 550813061 /nfs/dbraw/zinc/81/30/61/550813061.db2.gz NNFCFRJXWANLPP-ZCFIWIBFSA-N -2 3 369.848 2.028 20 0 FEADHL CSCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000281979685 551165085 /nfs/dbraw/zinc/16/50/85/551165085.db2.gz MLGQZDHZNXCREN-VIFPVBQESA-N -2 3 358.268 2.478 20 0 FEADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000282052220 551174447 /nfs/dbraw/zinc/17/44/47/551174447.db2.gz UAUJGEIFPKZVCA-ZCFIWIBFSA-N -2 3 356.625 2.244 20 0 FEADHL CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1F ZINC000500638692 561578479 /nfs/dbraw/zinc/57/84/79/561578479.db2.gz YOPFUDPOSADQKY-UHFFFAOYSA-N -2 3 352.343 2.148 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](CCSc1ccccc1)C(=O)[O-] ZINC000290743151 552529947 /nfs/dbraw/zinc/52/99/47/552529947.db2.gz XJJAYJWZAXZBQY-CYBMUJFWSA-N -2 3 370.452 2.205 20 0 FEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CCSc1ccccc1)C(=O)[O-] ZINC000290743162 552529976 /nfs/dbraw/zinc/52/99/76/552529976.db2.gz XJJAYJWZAXZBQY-ZDUSSCGKSA-N -2 3 370.452 2.205 20 0 FEADHL O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000504247251 561654959 /nfs/dbraw/zinc/65/49/59/561654959.db2.gz QXKASHNWIOJFMG-UHFFFAOYSA-N -2 3 350.371 2.224 20 0 FEADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000314278283 553759024 /nfs/dbraw/zinc/75/90/24/553759024.db2.gz KQQSMKCOJCFEQS-JTQLQIEISA-N -2 3 350.780 2.026 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(N)=O)cc2)cc1C(=O)[O-] ZINC000327514151 553789439 /nfs/dbraw/zinc/78/94/39/553789439.db2.gz PRSMYKUGNQWVSG-UHFFFAOYSA-N -2 3 363.395 2.239 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c(C(=O)[O-])c1 ZINC000507623310 561735550 /nfs/dbraw/zinc/73/55/50/561735550.db2.gz YJGOYNDADKMTAR-UHFFFAOYSA-N -3 3 365.363 2.201 20 0 FEADHL COC(=O)[C@@H](CS(=O)(=O)[N-]c1ccc(OC)cc1[O-])c1ccccc1 ZINC000507888467 561744785 /nfs/dbraw/zinc/74/47/85/561744785.db2.gz BYUQULKPPULPAK-AWEZNQCLSA-N -2 3 365.407 2.099 20 0 FEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1F ZINC000509628031 561807986 /nfs/dbraw/zinc/80/79/86/561807986.db2.gz FNQPULNVSYZRRE-UHFFFAOYSA-N -2 3 361.297 2.368 20 0 FEADHL CCn1nccc1S(=O)(=O)[N-]c1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000364237808 555276331 /nfs/dbraw/zinc/27/63/31/555276331.db2.gz AHERLLSKAWBSRW-UHFFFAOYSA-N -2 3 359.411 2.175 20 0 FEADHL O=C([O-])[C@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@@H]1c1ccc(F)cc1F ZINC000368321287 556277761 /nfs/dbraw/zinc/27/77/61/556277761.db2.gz JWEIRKKXVLBTTQ-OLZOCXBDSA-N -2 3 372.331 2.177 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(=O)[n-]3)ccc2C)cc1 ZINC000369062562 556493756 /nfs/dbraw/zinc/49/37/56/556493756.db2.gz HHBFGGBXISULIZ-UHFFFAOYSA-N -2 3 360.395 2.295 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCc2nc3c(s2)CCCC3)o1 ZINC000516283674 562038701 /nfs/dbraw/zinc/03/87/01/562038701.db2.gz AMHSQJQWSDOSIU-UHFFFAOYSA-N -2 3 370.452 2.224 20 0 FEADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)cn1C ZINC000517014399 562071110 /nfs/dbraw/zinc/07/11/10/562071110.db2.gz REAVEGUCUZRMBS-NSHDSACASA-N -2 3 357.457 2.099 20 0 FEADHL Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)C(=O)[N-]C4=O)c2)n1 ZINC000371543022 557216487 /nfs/dbraw/zinc/21/64/87/557216487.db2.gz JBMFPDFZLVVKAA-UHFFFAOYSA-N -2 3 374.356 2.294 20 0 FEADHL COc1ccsc1S(=O)(=O)[N-][C@@H](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000517736391 562096777 /nfs/dbraw/zinc/09/67/77/562096777.db2.gz OUOSTLJCUYEKSP-WCQYABFASA-N -2 3 369.464 2.367 20 0 FEADHL COc1cccc(C[C@@H](C[N-]S(=O)(=O)c2cc(C)cs2)C(=O)[O-])c1 ZINC000520984013 562166948 /nfs/dbraw/zinc/16/69/48/562166948.db2.gz DKKYGTNZSZLMFL-ZDUSSCGKSA-N -2 3 369.464 2.287 20 0 FEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3OC2)s1 ZINC000374547952 557897986 /nfs/dbraw/zinc/89/79/86/557897986.db2.gz FFIQGDLDSVUHKW-GFCCVEGCSA-N -2 3 367.448 2.047 20 0 FEADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000401313968 558629710 /nfs/dbraw/zinc/62/97/10/558629710.db2.gz QNXSMNBMNPPPOJ-SNVBAGLBSA-N -2 3 365.249 2.012 20 0 FEADHL O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000408505132 558685301 /nfs/dbraw/zinc/68/53/01/558685301.db2.gz WDZOTRVALGBZOU-RWMBFGLXSA-N -2 3 362.455 2.369 20 0 FEADHL Cc1cccnc1CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000414327379 559156563 /nfs/dbraw/zinc/15/65/63/559156563.db2.gz GCXGZROQNBFZEV-UHFFFAOYSA-N -2 3 352.387 2.138 20 0 FEADHL COc1c(=O)[n-]c([O-])nc1C(=O)Nc1cc(-c2ccco2)nn1C(C)C ZINC000416218848 559299182 /nfs/dbraw/zinc/29/91/82/559299182.db2.gz GFANZROOZABOMW-UHFFFAOYSA-N -2 3 359.342 2.186 20 0 FEADHL CC(C)(CCC(=O)[O-])NC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000417782252 559376283 /nfs/dbraw/zinc/37/62/83/559376283.db2.gz ZEXWZRIEJOHOTQ-UHFFFAOYSA-N -2 3 369.219 2.862 20 0 FEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)n(C(C)C)n2)ccc1[O-] ZINC000421183084 559529596 /nfs/dbraw/zinc/52/95/96/559529596.db2.gz MZLNMFQPCLVUTK-UHFFFAOYSA-N -2 3 352.416 2.237 20 0 FEADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000527301715 562284511 /nfs/dbraw/zinc/28/45/11/562284511.db2.gz QHJDDCAPMKQSII-NSHDSACASA-N -2 3 362.379 2.142 20 0 FEADHL CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)c2ncccc2[O-])ccc1F ZINC000427463710 559756051 /nfs/dbraw/zinc/75/60/51/559756051.db2.gz GTIZYXRPGQEMKF-UHFFFAOYSA-N -2 3 367.402 2.255 20 0 FEADHL O=C(N=c1ccc([O-])n[n-]1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000430797103 559828441 /nfs/dbraw/zinc/82/84/41/559828441.db2.gz NIDZMNWCGWJIEE-UHFFFAOYSA-N -2 3 350.165 2.927 20 0 FEADHL CCOC(=O)c1nnc(-c2cccc(CN=c3nc(CC)[n-]s3)c2)[n-]1 ZINC000432937895 559868235 /nfs/dbraw/zinc/86/82/35/559868235.db2.gz JEXQTJJGMTYSFZ-UHFFFAOYSA-N -2 3 358.427 2.096 20 0 FEADHL CCOC(=O)c1nc(-c2cccc(CN=c3nc(CC)[n-]s3)c2)n[n-]1 ZINC000432937895 559868236 /nfs/dbraw/zinc/86/82/36/559868236.db2.gz JEXQTJJGMTYSFZ-UHFFFAOYSA-N -2 3 358.427 2.096 20 0 FEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000436474904 559942471 /nfs/dbraw/zinc/94/24/71/559942471.db2.gz FXHBCSZYAGRAJF-SNVBAGLBSA-N -2 3 363.391 2.303 20 0 FEADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(OC)ccc2[O-])c1 ZINC000436693031 559949068 /nfs/dbraw/zinc/94/90/68/559949068.db2.gz PNDOQKJLFXXDDS-UHFFFAOYSA-N -2 3 351.380 2.152 20 0 FEADHL C[C@@]1(c2ccc(CNC(=O)c3ccc(Cl)cc3[O-])cc2)NC(=O)[N-]C1=O ZINC000436701605 559949491 /nfs/dbraw/zinc/94/94/91/559949491.db2.gz ZJBMQBGBWFZHID-SFHVURJKSA-N -2 3 373.796 2.030 20 0 FEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)c1 ZINC000436895213 559955730 /nfs/dbraw/zinc/95/57/30/559955730.db2.gz UHIIBTXENGRRAS-UHFFFAOYSA-N -3 3 373.390 2.136 20 0 FEADHL CCOCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000438727674 559982967 /nfs/dbraw/zinc/98/29/67/559982967.db2.gz XWHXSHFMGXLRBH-UHFFFAOYSA-N -2 3 365.407 2.487 20 0 FEADHL CCOc1cccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000443401792 560082971 /nfs/dbraw/zinc/08/29/71/560082971.db2.gz VMKBXRRUCSEXMF-UHFFFAOYSA-N -2 3 370.452 2.258 20 0 FEADHL O=C(NCC1(NC(=O)c2c([O-])cccc2F)CC1)c1c([O-])cccc1F ZINC000446596581 560148072 /nfs/dbraw/zinc/14/80/72/560148072.db2.gz MPXKPMDCBWHLLG-UHFFFAOYSA-N -2 3 362.332 2.068 20 0 FEADHL CCc1ccc(-c2csc(NC(=O)c3nc(=O)[n-]c([O-])c3N)n2)s1 ZINC000469305607 560952133 /nfs/dbraw/zinc/95/21/33/560952133.db2.gz XRNCDGJFVBAIBS-UHFFFAOYSA-N -2 3 363.424 2.470 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc(C(=O)[O-])c1C ZINC000471119995 560998780 /nfs/dbraw/zinc/99/87/80/560998780.db2.gz CCNCZFQRFAFAMM-UHFFFAOYSA-N -3 3 363.391 2.430 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1F ZINC000476125137 561111652 /nfs/dbraw/zinc/11/16/52/561111652.db2.gz ABMQHDXRZDQAIE-UHFFFAOYSA-N -2 3 373.431 2.173 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC1CCc2ccccc2CC1 ZINC000530149683 562400074 /nfs/dbraw/zinc/40/00/74/562400074.db2.gz GXNYBNYUMHTOGC-UHFFFAOYSA-N -2 3 366.464 2.315 20 0 FEADHL Cc1cc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)ccc1C(=O)[O-] ZINC000531746398 562455363 /nfs/dbraw/zinc/45/53/63/562455363.db2.gz CGISKMYTVVPUFJ-SNVBAGLBSA-N -2 3 368.436 2.060 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1CO ZINC000537197705 562587727 /nfs/dbraw/zinc/58/77/27/562587727.db2.gz YFQCAABJTXPFHO-UHFFFAOYSA-N -2 3 353.396 2.093 20 0 FEADHL C[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)CC(=O)[O-] ZINC000540786949 562593182 /nfs/dbraw/zinc/59/31/82/562593182.db2.gz UAQWVFKLQQBOIO-QMMMGPOBSA-N -2 3 367.199 2.131 20 0 FEADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1C(=O)[O-] ZINC000541929833 562623655 /nfs/dbraw/zinc/62/36/55/562623655.db2.gz GWERXKOUDYLSFQ-UHFFFAOYSA-N -2 3 364.301 2.179 20 0 FEADHL C[C@H](CC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000806634410 674384475 /nfs/dbraw/zinc/38/44/75/674384475.db2.gz HCHNASUALWXCMR-SSDOTTSWSA-N -2 3 359.297 2.113 20 0 FEADHL O=C([O-])c1c[nH]c(=O)c2cc([N-]S(=O)(=O)CCC(F)(F)F)ccc12 ZINC000556053236 674386307 /nfs/dbraw/zinc/38/63/07/674386307.db2.gz ROJYNKWHHZYTGX-UHFFFAOYSA-N -2 3 364.301 2.333 20 0 FEADHL CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736654903 598841239 /nfs/dbraw/zinc/84/12/39/598841239.db2.gz MSZSXJBHEZRJLU-UHFFFAOYSA-N -2 3 363.374 2.205 20 0 FEADHL CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736654903 598841241 /nfs/dbraw/zinc/84/12/41/598841241.db2.gz MSZSXJBHEZRJLU-UHFFFAOYSA-N -2 3 363.374 2.205 20 0 FEADHL O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000738341719 598842181 /nfs/dbraw/zinc/84/21/81/598842181.db2.gz KLRBICUGXKQIGM-UHFFFAOYSA-N -2 3 359.386 2.295 20 0 FEADHL O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000738341719 598842183 /nfs/dbraw/zinc/84/21/83/598842183.db2.gz KLRBICUGXKQIGM-UHFFFAOYSA-N -2 3 359.386 2.295 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1cccc(Cl)c1Cl ZINC000823582871 599234262 /nfs/dbraw/zinc/23/42/62/599234262.db2.gz CKOFVIGUGWKBAN-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cccc(Cl)c1Cl ZINC000823582871 599234264 /nfs/dbraw/zinc/23/42/64/599234264.db2.gz CKOFVIGUGWKBAN-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL CN(CCC(=O)[O-])C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000820579954 597655830 /nfs/dbraw/zinc/65/58/30/597655830.db2.gz OBEBWIHUCLPUMF-QGZVFWFLSA-N -2 3 370.405 2.187 20 0 FEADHL O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1ccccc1-c1nnn[n-]1 ZINC000738341671 598500610 /nfs/dbraw/zinc/50/06/10/598500610.db2.gz JDJHDADPTBDIDX-UHFFFAOYSA-N -2 3 366.406 2.458 20 0 FEADHL O=S(=O)([N-]c1cccc(-n2cccc2)c1)c1ccccc1-c1nn[n-]n1 ZINC000738341671 598500613 /nfs/dbraw/zinc/50/06/13/598500613.db2.gz JDJHDADPTBDIDX-UHFFFAOYSA-N -2 3 366.406 2.458 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)ccc1OC(C)C ZINC000737283260 598637873 /nfs/dbraw/zinc/63/78/73/598637873.db2.gz OUUDPJOZXHENJP-UHFFFAOYSA-N -2 3 374.426 2.158 20 0 FEADHL Cc1nc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(Br)n1C ZINC000808099754 674441107 /nfs/dbraw/zinc/44/11/07/674441107.db2.gz YFECVRPAEYOYIY-UHFFFAOYSA-N -2 3 364.196 2.137 20 0 FEADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000564919546 599775214 /nfs/dbraw/zinc/77/52/14/599775214.db2.gz FCDXCNSIVUOYGS-CYBMUJFWSA-N -2 3 365.411 2.321 20 0 FEADHL Cc1nc(=O)[nH]c(SCc2noc(-c3ccccc3[O-])n2)c1C(=O)[O-] ZINC000738228790 599832432 /nfs/dbraw/zinc/83/24/32/599832432.db2.gz AKGOZQASGZZMAI-UHFFFAOYSA-N -2 3 360.351 2.237 20 0 FEADHL CCOc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)ccc1OCC(=O)[O-] ZINC000737193707 599988036 /nfs/dbraw/zinc/98/80/36/599988036.db2.gz VHPYIHUOISKILQ-UHFFFAOYSA-N -2 3 372.337 2.179 20 0 FEADHL Cc1cccc(C[C@@H](CNC(=O)CCc2c(C)nc(C)[n-]c2=O)C(=O)[O-])c1 ZINC000738702532 600069743 /nfs/dbraw/zinc/06/97/43/600069743.db2.gz JQJVWYXJHXUMDV-INIZCTEOSA-N -2 3 371.437 2.100 20 0 FEADHL CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000736165418 600173734 /nfs/dbraw/zinc/17/37/34/600173734.db2.gz NBHMWHXJPMTVDU-INIZCTEOSA-N -2 3 356.378 2.257 20 0 FEADHL O=C([O-])[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1cc(F)ccc1F ZINC000739374156 600485552 /nfs/dbraw/zinc/48/55/52/600485552.db2.gz SHEOTBLUZHDONE-ZDUSSCGKSA-N -2 3 359.288 2.169 20 0 FEADHL CCc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000737267446 600536106 /nfs/dbraw/zinc/53/61/06/600536106.db2.gz YDAMTBQEJIOWAJ-UHFFFAOYSA-N -3 3 365.363 2.152 20 0 FEADHL O=C([O-])Cc1nc([N-]C(=O)c2csc(-c3ccc(Cl)cc3)n2)n[nH]1 ZINC000739899405 600536513 /nfs/dbraw/zinc/53/65/13/600536513.db2.gz MRTXFFBMILDDDG-UHFFFAOYSA-N -2 3 363.786 2.461 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000645990018 600799016 /nfs/dbraw/zinc/79/90/16/600799016.db2.gz YCUJJQHWRJDXND-VIFPVBQESA-N -2 3 353.400 2.105 20 0 FEADHL Cc1nc(C2([N-]S(=O)(=O)CC3(CC(=O)[O-])CC3)CCCCCC2)no1 ZINC000832995823 601131097 /nfs/dbraw/zinc/13/10/97/601131097.db2.gz LPBRZFIYFFGJMI-UHFFFAOYSA-N -2 3 371.459 2.102 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)OCO3)cc1C(=O)[O-] ZINC000566180865 601215665 /nfs/dbraw/zinc/21/56/65/601215665.db2.gz RHJNPXFAXZATAO-MRVPVSSYSA-N -2 3 353.352 2.054 20 0 FEADHL CC(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000826747183 601265743 /nfs/dbraw/zinc/26/57/43/601265743.db2.gz HWACMRSUZQIWPW-LKFCYVNXSA-N -2 3 363.382 2.002 20 0 FEADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000831585760 601266667 /nfs/dbraw/zinc/26/66/67/601266667.db2.gz PFQBMSLPAGWYRI-LBPRGKRZSA-N -2 3 373.324 2.003 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C1CC1 ZINC000547899704 601389229 /nfs/dbraw/zinc/38/92/29/601389229.db2.gz CPUXTJZYAKOTCZ-JTQLQIEISA-N -2 3 368.636 2.244 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)c1nc(C2CCCCC2)no1 ZINC000827741911 601519021 /nfs/dbraw/zinc/51/90/21/601519021.db2.gz XEFTUABSUOQMON-LLVKDONJSA-N -2 3 371.459 2.353 20 0 FEADHL C[C@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000826037914 601603325 /nfs/dbraw/zinc/60/33/25/601603325.db2.gz BUYYPFCDEKWKFL-ZUZCIYMTSA-N -2 3 367.361 2.154 20 0 FEADHL CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1 ZINC000824024429 607532194 /nfs/dbraw/zinc/53/21/94/607532194.db2.gz DPLWSAVOCZYNNB-UHFFFAOYSA-N -2 3 357.395 2.179 20 0 FEADHL CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000824024429 607532196 /nfs/dbraw/zinc/53/21/96/607532196.db2.gz DPLWSAVOCZYNNB-UHFFFAOYSA-N -2 3 357.395 2.179 20 0 FEADHL O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000740477989 601893224 /nfs/dbraw/zinc/89/32/24/601893224.db2.gz LTXVKDWJAVACHG-UHTWSYAYSA-N -2 3 356.386 2.116 20 0 FEADHL CCN(CCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000739422818 601981468 /nfs/dbraw/zinc/98/14/68/601981468.db2.gz ZKEVWUCBJZSOMH-UHFFFAOYSA-N -2 3 356.231 2.057 20 0 FEADHL CSCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000169152970 602156523 /nfs/dbraw/zinc/15/65/23/602156523.db2.gz WCGYWMVUDVCGDG-UHFFFAOYSA-N -2 3 372.262 2.162 20 0 FEADHL CCc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)C[C@H](C)C(=O)[O-])n2)cc1 ZINC000830229366 602172712 /nfs/dbraw/zinc/17/27/12/602172712.db2.gz RDDGQHDCMFHNRD-WDEREUQCSA-N -2 3 367.427 2.000 20 0 FEADHL O=C([O-])NCCOc1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000740669335 602278248 /nfs/dbraw/zinc/27/82/48/602278248.db2.gz WSSHIHGWERZMBZ-LFIBNONCSA-N -2 3 367.361 2.056 20 0 FEADHL O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000740468413 602359268 /nfs/dbraw/zinc/35/92/68/602359268.db2.gz HUUZYRRJEVLYOC-GDLCADMTSA-N -2 3 356.386 2.116 20 0 FEADHL O=C([O-])N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000740468413 602359270 /nfs/dbraw/zinc/35/92/70/602359270.db2.gz HUUZYRRJEVLYOC-GDLCADMTSA-N -2 3 356.386 2.116 20 0 FEADHL O=C([O-])N1CCc2ccc(NC=C3C(=O)[N-]C(=O)c4ccccc43)cc2C1 ZINC000740732819 602491522 /nfs/dbraw/zinc/49/15/22/602491522.db2.gz OLRTUEPLJVIERP-YVLHZVERSA-N -2 3 363.373 2.446 20 0 FEADHL O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(C(=O)c2nnc3ccccc3c2[O-])C1 ZINC000740728520 602590340 /nfs/dbraw/zinc/59/03/40/602590340.db2.gz BLMZBLUGPAYJHJ-DOMZBBRYSA-N -2 3 370.409 2.330 20 0 FEADHL O=C([O-])N1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000740520591 602593269 /nfs/dbraw/zinc/59/32/69/602593269.db2.gz LLBNSIPATSTOCJ-VIFPVBQESA-N -2 3 370.324 2.265 20 0 FEADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000740704039 602655182 /nfs/dbraw/zinc/65/51/82/602655182.db2.gz STPZFLKFWVZFKO-UHFFFAOYSA-N -2 3 366.326 2.387 20 0 FEADHL C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823711931 603262339 /nfs/dbraw/zinc/26/23/39/603262339.db2.gz GNTOEEVWGBLEDQ-NHYWBVRUSA-N -2 3 366.381 2.450 20 0 FEADHL C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823711931 603262343 /nfs/dbraw/zinc/26/23/43/603262343.db2.gz GNTOEEVWGBLEDQ-NHYWBVRUSA-N -2 3 366.381 2.450 20 0 FEADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)NC(=O)[O-] ZINC000826561013 603477699 /nfs/dbraw/zinc/47/76/99/603477699.db2.gz GSEZQOGRKRVOJV-UHFFFAOYSA-N -2 3 354.350 2.209 20 0 FEADHL C[C@@]([N-]S(=O)(=O)c1cc(F)ccc1Br)(C(=O)[O-])C1CC1 ZINC000827756151 604480058 /nfs/dbraw/zinc/48/00/58/604480058.db2.gz WYFYSPXJCGWFFQ-LBPRGKRZSA-N -2 3 366.208 2.120 20 0 FEADHL CCOc1ccc(C[C@H](CNC(=O)c2c([O-])cccc2O)C(=O)[O-])cc1 ZINC000833664121 604775731 /nfs/dbraw/zinc/77/57/31/604775731.db2.gz LCQQDCNTVOCLGY-CYBMUJFWSA-N -2 3 359.378 2.170 20 0 FEADHL CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1(CC)CC ZINC000577059542 605043685 /nfs/dbraw/zinc/04/36/85/605043685.db2.gz WUGRDPRJQAHFGD-QWRGUYRKSA-N -2 3 362.473 2.103 20 0 FEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)CCNC(=O)[O-])s1 ZINC000833898380 605402544 /nfs/dbraw/zinc/40/25/44/605402544.db2.gz SXTRIVXNWFZIOR-LURJTMIESA-N -2 3 371.278 2.144 20 0 FEADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000829691596 605606081 /nfs/dbraw/zinc/60/60/81/605606081.db2.gz MROHGUZIDXQCOK-UHFFFAOYSA-N -2 3 363.395 2.181 20 0 FEADHL CC(C)CCCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820073126 606395179 /nfs/dbraw/zinc/39/51/79/606395179.db2.gz QPDHYEYMPRIYBH-UHFFFAOYSA-N -2 3 365.459 2.278 20 0 FEADHL CC(C)CCCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820073126 606395181 /nfs/dbraw/zinc/39/51/81/606395181.db2.gz QPDHYEYMPRIYBH-UHFFFAOYSA-N -2 3 365.459 2.278 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(Cl)ccn1 ZINC000822223566 606695952 /nfs/dbraw/zinc/69/59/52/606695952.db2.gz BTBNLMJKQNWKOA-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000820698013 606886106 /nfs/dbraw/zinc/88/61/06/606886106.db2.gz PBJWRBYUXLXXRE-WCBMZHEXSA-N -2 3 357.386 2.002 20 0 FEADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1cc(F)ccc1Cl ZINC000826493224 608107277 /nfs/dbraw/zinc/10/72/77/608107277.db2.gz ZSZZHDNHSXRNAV-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL CCCc1csc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000825351681 608489889 /nfs/dbraw/zinc/48/98/89/608489889.db2.gz GXYQAIPQZCGZLC-UHFFFAOYSA-N -2 3 364.456 2.385 20 0 FEADHL CCCc1csc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000825351681 608489890 /nfs/dbraw/zinc/48/98/90/608489890.db2.gz GXYQAIPQZCGZLC-UHFFFAOYSA-N -2 3 364.456 2.385 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nn1[C@H](C)C1CC1 ZINC000826271396 609469139 /nfs/dbraw/zinc/46/91/39/609469139.db2.gz PKMQAWIBVNREKE-LLVKDONJSA-N -2 3 373.442 2.143 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nn1[C@H](C)C1CC1 ZINC000826271396 609469141 /nfs/dbraw/zinc/46/91/41/609469141.db2.gz PKMQAWIBVNREKE-LLVKDONJSA-N -2 3 373.442 2.143 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492885 609524874 /nfs/dbraw/zinc/52/48/74/609524874.db2.gz JPRCSNMZPGXQIT-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=S(=O)([N-]c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492885 609524877 /nfs/dbraw/zinc/52/48/77/609524877.db2.gz JPRCSNMZPGXQIT-UHFFFAOYSA-N -2 3 353.766 2.460 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C1CC1 ZINC000562337646 674742981 /nfs/dbraw/zinc/74/29/81/674742981.db2.gz OCVLSXRYUFEIEO-SNVBAGLBSA-N -2 3 368.636 2.244 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)c1 ZINC000563070265 674844075 /nfs/dbraw/zinc/84/40/75/674844075.db2.gz ZJTUPYVVCINFLP-ZDUSSCGKSA-N -2 3 353.421 2.287 20 0 FEADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000564269956 674989447 /nfs/dbraw/zinc/98/94/47/674989447.db2.gz DJWIZKYWMJOOPA-SECBINFHSA-N -2 3 354.350 2.412 20 0 FEADHL Cc1oc(S(=O)(=O)[N-]CCCOCCc2ccccc2)cc1C(=O)[O-] ZINC000564923190 675078090 /nfs/dbraw/zinc/07/80/90/675078090.db2.gz CYZZAHPZMBMNDB-UHFFFAOYSA-N -2 3 367.423 2.214 20 0 FEADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC000054795398 670341196 /nfs/dbraw/zinc/34/11/96/670341196.db2.gz OECCCKSVLNBJHJ-UHFFFAOYSA-N -3 3 365.363 2.283 20 0 FEADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000570230295 670682095 /nfs/dbraw/zinc/68/20/95/670682095.db2.gz APPAPBMOCNFPRR-ZETCQYMHSA-N -2 3 359.297 2.256 20 0 FEADHL COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000565597972 675135227 /nfs/dbraw/zinc/13/52/27/675135227.db2.gz PRHAQNCMTGKFHV-UHFFFAOYSA-N -2 3 370.452 2.106 20 0 FEADHL COC(=O)[C@H](CS(=O)(=O)[N-]c1cccc([O-])c1F)c1ccccc1 ZINC000571904096 670938465 /nfs/dbraw/zinc/93/84/65/670938465.db2.gz FNEJZSLMBJEBHF-GFCCVEGCSA-N -2 3 353.371 2.230 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000573441556 671122964 /nfs/dbraw/zinc/12/29/64/671122964.db2.gz CRPDXNMDPZTYIL-ZFWWWQNUSA-N -2 3 351.380 2.176 20 0 FEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cccs1 ZINC000574892660 671284163 /nfs/dbraw/zinc/28/41/63/671284163.db2.gz CPEMSNFKSVWATP-SECBINFHSA-N -2 3 366.214 2.208 20 0 FEADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)on1 ZINC000566178053 675190730 /nfs/dbraw/zinc/19/07/30/675190730.db2.gz VMXVVWHBNKEMTI-UHFFFAOYSA-N -2 3 367.427 2.458 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000575850329 671325419 /nfs/dbraw/zinc/32/54/19/671325419.db2.gz GHJVSFMMVIQKOX-NEPJUHHUSA-N -2 3 352.437 2.297 20 0 FEADHL CC(C)[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000576582546 671379067 /nfs/dbraw/zinc/37/90/67/671379067.db2.gz STJIHNRJOLDORY-GFCCVEGCSA-N -2 3 354.350 2.268 20 0 FEADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000580065399 671780433 /nfs/dbraw/zinc/78/04/33/671780433.db2.gz VGFUWVGCOUSKKX-LJGSYFOKSA-N -2 3 368.636 2.244 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2C)c[n-]1 ZINC000585730204 672227842 /nfs/dbraw/zinc/22/78/42/672227842.db2.gz DERMFGGTZKIALM-UHFFFAOYSA-N -2 3 373.818 2.358 20 0 FEADHL Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000156247602 672243790 /nfs/dbraw/zinc/24/37/90/672243790.db2.gz QVZQHFJANCFJPO-UHFFFAOYSA-N -2 3 352.387 2.141 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(F)ccc2F)s1 ZINC000681566309 672673271 /nfs/dbraw/zinc/67/32/71/672673271.db2.gz CYSFCODWUBYXAT-GFCCVEGCSA-N -2 3 362.379 2.088 20 0 FEADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N2CCC2)c1 ZINC000537640879 673398954 /nfs/dbraw/zinc/39/89/54/673398954.db2.gz FYUZRZXTBZSUKK-UHFFFAOYSA-N -2 3 362.407 2.048 20 0 FEADHL Cc1c(F)cccc1S(=O)(=O)[N-]N=c1c(F)c(F)[n-]c(F)c1F ZINC000743249853 673753665 /nfs/dbraw/zinc/75/36/65/673753665.db2.gz QCTWEBOZNVNNTB-UHFFFAOYSA-N -2 3 353.272 2.391 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2Cl)C(=O)[O-])s1 ZINC000547554736 673862777 /nfs/dbraw/zinc/86/27/77/673862777.db2.gz XBFSXQZAPXXGHY-NSHDSACASA-N -2 3 374.871 2.327 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000547870798 673895131 /nfs/dbraw/zinc/89/51/31/673895131.db2.gz LKRRUQHLRVPNDI-UHFFFAOYSA-N -3 3 365.363 2.283 20 0 FEADHL Cc1nc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)ccc1C(=O)[O-] ZINC000547899244 673900465 /nfs/dbraw/zinc/90/04/65/673900465.db2.gz XJMHSNLRUKJWOD-UHFFFAOYSA-N -2 3 358.778 2.359 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)CC(=O)[O-] ZINC000548263922 673944674 /nfs/dbraw/zinc/94/46/74/673944674.db2.gz XFPLLYUAOFZDTA-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)c1Cl ZINC000548534301 673967183 /nfs/dbraw/zinc/96/71/83/673967183.db2.gz LYTAEOPYNYSEGE-LDYMZIIASA-N -2 3 368.238 2.070 20 0 FEADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000548590061 673977277 /nfs/dbraw/zinc/97/72/77/673977277.db2.gz OQFVXMZGVRUOFP-VIFPVBQESA-N -2 3 368.224 2.223 20 0 FEADHL COC[C@@](C)([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000568387311 675370315 /nfs/dbraw/zinc/37/03/15/675370315.db2.gz YPKWNFYDASWMKT-CQSZACIVSA-N -2 3 361.803 2.163 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000606827069 675842477 /nfs/dbraw/zinc/84/24/77/675842477.db2.gz QUBPVDCVCXDZBX-OAHLLOKOSA-N -2 3 363.391 2.353 20 0 FEADHL C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000626754894 676721029 /nfs/dbraw/zinc/72/10/29/676721029.db2.gz ASAFHSVXDKXVPU-ONGXEEELSA-N -2 3 371.231 2.407 20 0 FEADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)C1 ZINC000630445118 676902043 /nfs/dbraw/zinc/90/20/43/676902043.db2.gz FMORXJAWIGRIFW-NEPJUHHUSA-N -2 3 352.437 2.342 20 0 FEADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000829928735 677018166 /nfs/dbraw/zinc/01/81/66/677018166.db2.gz KLBLNJRXSOFIII-SECBINFHSA-N -2 3 354.350 2.412 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)[C@@H](C)C(=O)[O-] ZINC000654786445 677603368 /nfs/dbraw/zinc/60/33/68/677603368.db2.gz NSHQEMNVKSZADK-RNFRBKRXSA-N -2 3 370.652 2.490 20 0 FEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCOc2ccccc2)c(F)cc1F ZINC000761238548 680716359 /nfs/dbraw/zinc/71/63/59/680716359.db2.gz AVCPMTMYHMRVEM-UHFFFAOYSA-N -2 3 357.334 2.020 20 0 FEADHL CO[C@H](CS(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1N)C1CCCCC1 ZINC000656631568 677796149 /nfs/dbraw/zinc/79/61/49/677796149.db2.gz MRVUOQADGOUEPG-CQSZACIVSA-N -2 3 374.434 2.443 20 0 FEADHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)n1 ZINC000763417805 680782633 /nfs/dbraw/zinc/78/26/33/680782633.db2.gz DAWNMGSPCHHOEN-UHFFFAOYSA-N -2 3 370.818 2.059 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)OCO3)oc1C(=O)[O-] ZINC000663421453 678734255 /nfs/dbraw/zinc/73/42/55/678734255.db2.gz PQMAWOSIOJBBEW-VIFPVBQESA-N -2 3 353.352 2.054 20 0 FEADHL COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663428436 678737119 /nfs/dbraw/zinc/73/71/19/678737119.db2.gz SAKUABCWZHSUIY-NWDGAFQWSA-N -2 3 351.380 2.129 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000754862254 680385116 /nfs/dbraw/zinc/38/51/16/680385116.db2.gz KYVYETRXVSEJJF-SSDOTTSWSA-N -2 3 370.652 2.492 20 0 FEADHL Cc1ccc(F)cc1CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852733748 682329355 /nfs/dbraw/zinc/32/93/55/682329355.db2.gz YCFGSWZKTLGBQP-OLZOCXBDSA-N -2 3 362.323 2.230 20 0 FEADHL CCC[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000788438990 682529896 /nfs/dbraw/zinc/52/98/96/682529896.db2.gz OOHJVZDSCLZHAM-ZETCQYMHSA-N -2 3 369.848 2.028 20 0 FEADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCO)cc1 ZINC000793394873 682886502 /nfs/dbraw/zinc/88/65/02/682886502.db2.gz OQMHGXPOQWZNDA-UHFFFAOYSA-N -2 3 369.370 2.004 20 0 FEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000797427821 683250086 /nfs/dbraw/zinc/25/00/86/683250086.db2.gz GRZGXNKFGNBVNJ-SSDOTTSWSA-N -2 3 370.652 2.492 20 0 FEADHL C[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C1CC1 ZINC000871801395 684857540 /nfs/dbraw/zinc/85/75/40/684857540.db2.gz RXTMRKIKUMPQKE-YFKPBYRVSA-N -2 3 354.247 2.286 20 0 FEADHL O=C([O-])CC[C@@H]1C[C@H](C(=O)Nc2cc(Br)ccc2[O-])CO1 ZINC000901983183 690726118 /nfs/dbraw/zinc/72/61/18/690726118.db2.gz BNFWERRPNKOIEA-WCBMZHEXSA-N -2 3 358.188 2.363 20 0 FEADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O ZINC000047905753 540333270 /nfs/dbraw/zinc/33/32/70/540333270.db2.gz VHFQILRQADMATL-UHFFFAOYSA-N -2 3 358.416 2.306 20 0 FEADHL Cn1ncc2c1nc(Sc1n[n-]c(=NCC(F)(F)F)s1)[n-]c2=O ZINC000536183656 540563138 /nfs/dbraw/zinc/56/31/38/540563138.db2.gz UNPIFEZCXOJYPG-UHFFFAOYSA-N -2 3 363.350 2.046 20 0 FEADHL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000055581656 540660985 /nfs/dbraw/zinc/66/09/85/540660985.db2.gz GZYKDSWJUGPMNT-UHFFFAOYSA-N -2 3 366.370 2.027 20 0 FEADHL COc1cc(OC)c([N-]S(=O)(=O)Cc2ccc(F)cc2)c(C(=O)[O-])c1 ZINC000068076742 541545331 /nfs/dbraw/zinc/54/53/31/541545331.db2.gz SFYWRBSXVABQNV-UHFFFAOYSA-N -2 3 369.370 2.483 20 0 FEADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000070311671 541733325 /nfs/dbraw/zinc/73/33/25/541733325.db2.gz CSJGBXAFJPFQDP-ZETCQYMHSA-N -2 3 354.197 2.120 20 0 FEADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)[N-]OCCC(F)(F)F ZINC000154879386 544961587 /nfs/dbraw/zinc/96/15/87/544961587.db2.gz ARDHTSCHXZVFTA-UHFFFAOYSA-N -2 3 370.331 2.073 20 0 FEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]C[C@@H](c2ccco2)N(C)C)c1F ZINC000184871092 327886538 /nfs/dbraw/zinc/88/65/38/327886538.db2.gz YOAPYLXQIPKMKG-LBPRGKRZSA-N -2 3 370.402 2.007 20 0 FEADHL Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000185055068 327897075 /nfs/dbraw/zinc/89/70/75/327897075.db2.gz QTEXISXFCHAWLG-UHFFFAOYSA-N -2 3 369.418 2.096 20 0 FEADHL O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1 ZINC000127897534 326514462 /nfs/dbraw/zinc/51/44/62/326514462.db2.gz ZRBKRJHWULSCEE-UHFFFAOYSA-N -2 3 350.371 2.459 20 0 FEADHL Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000135325146 326639427 /nfs/dbraw/zinc/63/94/27/326639427.db2.gz HYWQVSWPAOVTSX-UHFFFAOYSA-N -2 3 358.416 2.306 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000172897046 327225353 /nfs/dbraw/zinc/22/53/53/327225353.db2.gz PYRLNDXFEACHGM-UHFFFAOYSA-N -2 3 354.453 2.476 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])Cc2ccccc2)s1 ZINC000262503649 328869859 /nfs/dbraw/zinc/86/98/59/328869859.db2.gz ZMNNBQFPLNNSNG-CYBMUJFWSA-N -2 3 368.480 2.460 20 0 FEADHL C[C@@H](CCC(=O)[N-]OCc1cccnc1)CC(=O)[N-]OCc1cccnc1 ZINC000269577406 329531873 /nfs/dbraw/zinc/53/18/73/329531873.db2.gz FOXUTQGTHJZNJC-HNNXBMFYSA-N -2 3 372.425 2.079 20 0 FEADHL CCOC1CC(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)C1 ZINC000276467293 330155050 /nfs/dbraw/zinc/15/50/50/330155050.db2.gz GOLOIUPFNRTMKL-UHFFFAOYSA-N -2 3 359.419 2.316 20 0 FEADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161829699 546133715 /nfs/dbraw/zinc/13/37/15/546133715.db2.gz DYNDWTZPVKJVNJ-JTQLQIEISA-N -2 3 368.224 2.366 20 0 FEADHL COc1cc(S(=O)(=O)[N-]c2ccc(C)[nH]c2=O)c(Cl)cc1C(=O)[O-] ZINC000480230141 561205431 /nfs/dbraw/zinc/20/54/31/561205431.db2.gz URJCMFRTZPRNFN-UHFFFAOYSA-N -2 3 372.786 2.257 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]Cc2ncccc2[O-])sc1Br ZINC000480719256 561215182 /nfs/dbraw/zinc/21/51/82/561215182.db2.gz GRLNPAANPBKIQA-UHFFFAOYSA-N -2 3 363.258 2.398 20 0 FEADHL O=C(NCCNC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccc([O-])cc1 ZINC000180407094 547103153 /nfs/dbraw/zinc/10/31/53/547103153.db2.gz QZJZJLAVNXILAN-UHFFFAOYSA-N -2 3 368.311 2.276 20 0 FEADHL CCOC(=O)c1cc(NC(=O)c2ccc(Br)c([O-])c2)n[n-]1 ZINC000181320694 547293044 /nfs/dbraw/zinc/29/30/44/547293044.db2.gz LOOAVWCBKBPYHJ-UHFFFAOYSA-N -2 3 354.160 2.307 20 0 FEADHL CCOC(=O)c1cc(NC(=O)c2ccc(Br)c([O-])c2)[n-]n1 ZINC000181320694 547293047 /nfs/dbraw/zinc/29/30/47/547293047.db2.gz LOOAVWCBKBPYHJ-UHFFFAOYSA-N -2 3 354.160 2.307 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000486863535 561358521 /nfs/dbraw/zinc/35/85/21/561358521.db2.gz JENFKQYFLICCBD-UHFFFAOYSA-N -2 3 359.411 2.375 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCC1 ZINC000232293029 548763648 /nfs/dbraw/zinc/76/36/48/548763648.db2.gz FWHZBALQMWIJII-UHFFFAOYSA-N -2 3 366.208 2.121 20 0 FEADHL CS(=O)(=O)[N-]c1cc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)ccc1F ZINC000261725463 549747653 /nfs/dbraw/zinc/74/76/53/549747653.db2.gz RBRNYDPYZDTGSJ-NXEZZACHSA-N -2 3 358.391 2.027 20 0 FEADHL CCC[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000262495462 549824554 /nfs/dbraw/zinc/82/45/54/549824554.db2.gz YDPKZFOHJHJAPT-QMMMGPOBSA-N -2 3 356.263 2.351 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccnn2[C@@H](C)C2CC2)ccc1[O-] ZINC000263833227 549943282 /nfs/dbraw/zinc/94/32/82/549943282.db2.gz DKAHOFCGRQVXGO-JTQLQIEISA-N -2 3 365.411 2.147 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C)c1ccc(C)o1 ZINC000273756851 550510290 /nfs/dbraw/zinc/51/02/90/550510290.db2.gz VWGPMGDTUHOYEA-ZDUSSCGKSA-N -2 3 353.396 2.261 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)[C@@H]1CCOC1 ZINC000281002954 551053716 /nfs/dbraw/zinc/05/37/16/551053716.db2.gz LYFHDCNDEOEOFG-HTQZYQBOSA-N -2 3 368.238 2.395 20 0 FEADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000282020141 551170468 /nfs/dbraw/zinc/17/04/68/551170468.db2.gz QHAQYQFMPTYQQB-JTQLQIEISA-N -2 3 354.211 2.094 20 0 FEADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000286678944 551913804 /nfs/dbraw/zinc/91/38/04/551913804.db2.gz HQRWDSVATIAHAN-NSHDSACASA-N -2 3 352.815 2.087 20 0 FEADHL O=C(Nc1ccccc1[O-])C1CCN(C(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC000289155295 552274537 /nfs/dbraw/zinc/27/45/37/552274537.db2.gz VTCRPCOBNYFUTG-UHFFFAOYSA-N -2 3 368.389 2.158 20 0 FEADHL Cc1nn2cc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)cnc2c1Cl ZINC000504298279 561655759 /nfs/dbraw/zinc/65/57/59/561655759.db2.gz FCZYJMOBVMSBFZ-UHFFFAOYSA-N -2 3 356.766 2.337 20 0 FEADHL CC(=O)N(c1nc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cs1)C1CC1 ZINC000504730673 561661784 /nfs/dbraw/zinc/66/17/84/561661784.db2.gz NINSXLLZFHMZBU-UTCJRWHESA-N -2 3 374.422 2.260 20 0 FEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C1CCSCC1 ZINC000317443599 553762155 /nfs/dbraw/zinc/76/21/55/553762155.db2.gz YFSLDOCOQRLUJO-UHFFFAOYSA-N -2 3 365.860 2.221 20 0 FEADHL Cc1oc(C[N-]S(=O)(=O)c2cccc3c2N=S=N3)cc1C(=O)[O-] ZINC000321314605 553766448 /nfs/dbraw/zinc/76/64/48/553766448.db2.gz PGUOBGCKQFBTAB-UHFFFAOYSA-N -2 3 353.381 2.491 20 0 FEADHL COC(=O)c1ccc(CS(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1 ZINC000327822842 553791523 /nfs/dbraw/zinc/79/15/23/553791523.db2.gz LFSZTSOTGFQZPJ-UHFFFAOYSA-N -2 3 367.354 2.252 20 0 FEADHL C[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2C)ccc1F ZINC000507612903 561735035 /nfs/dbraw/zinc/73/50/35/561735035.db2.gz KRLXVVDVANXPNB-UHFFFAOYSA-N -2 3 372.443 2.151 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cccc([C@H]3CNC(=O)C3)c2)ccc1C(=O)[O-] ZINC000507932267 561746361 /nfs/dbraw/zinc/74/63/61/561746361.db2.gz CQIWCIQPJWUWAV-CYBMUJFWSA-N -2 3 374.418 2.098 20 0 FEADHL CCOc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1C(=O)[O-] ZINC000508243965 561756517 /nfs/dbraw/zinc/75/65/17/561756517.db2.gz YSQQCZRLSDTTJM-UHFFFAOYSA-N -2 3 369.370 2.216 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC3(CCC3)C2)c(F)c1 ZINC000368797806 556415230 /nfs/dbraw/zinc/41/52/30/556415230.db2.gz CUTJYNJZAOQQRB-SWLSCSKDSA-N -2 3 371.430 2.215 20 0 FEADHL CC[C@H]([N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-])c1c(C)nn(C)c1C ZINC000518370145 562109773 /nfs/dbraw/zinc/10/97/73/562109773.db2.gz NOMLYAUMBUXMMK-LBPRGKRZSA-N -2 3 369.443 2.375 20 0 FEADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]1CCOC2(CCC2)C1 ZINC000372260198 557423636 /nfs/dbraw/zinc/42/36/36/557423636.db2.gz GXXAQHPJBLHLQB-TZMCWYRMSA-N -2 3 371.430 2.215 20 0 FEADHL CC1(C)Cc2ccc(C(=O)N3CCC[C@H](c4n[n-]c(=O)o4)C3)c([O-])c2O1 ZINC000408410339 558674460 /nfs/dbraw/zinc/67/44/60/558674460.db2.gz OGOUMQVNCWXUTQ-NSHDSACASA-N -2 3 359.382 2.214 20 0 FEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)ccc1[O-] ZINC000436736140 559950402 /nfs/dbraw/zinc/95/04/02/559950402.db2.gz IIOAATMCDKMPSS-UHFFFAOYSA-N -2 3 362.407 2.253 20 0 FEADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000449136616 560217659 /nfs/dbraw/zinc/21/76/59/560217659.db2.gz BVPOPHLZDDSPIH-LLVKDONJSA-N -2 3 372.425 2.268 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(C)(C)C)c(F)c1 ZINC000450968210 560280353 /nfs/dbraw/zinc/28/03/53/560280353.db2.gz MSCLDUJMAOAWOS-UHFFFAOYSA-N -2 3 352.453 2.054 20 0 FEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](C)C(C)C)c(F)c1 ZINC000450971943 560280683 /nfs/dbraw/zinc/28/06/83/560280683.db2.gz PVDNGKHQBGAMHY-LLVKDONJSA-N -2 3 366.480 2.300 20 0 FEADHL O=c1[n-]nc([C@@H]2CCCN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)C2)o1 ZINC000459433235 560685859 /nfs/dbraw/zinc/68/58/59/560685859.db2.gz BKSDSDJNYHZVDH-CYBMUJFWSA-N -2 3 353.382 2.317 20 0 FEADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000462111008 560797743 /nfs/dbraw/zinc/79/77/43/560797743.db2.gz XAEWZGXXFIBXKB-UHFFFAOYSA-N -2 3 353.371 2.274 20 0 FEADHL Cc1nc(C=Cc2cccc(OCCC(=O)[O-])c2)[n-]c(=O)c1CC(=O)[O-] ZINC000470267663 560977664 /nfs/dbraw/zinc/97/76/64/560977664.db2.gz RZJIFVOQKKDVPM-WAYWQWQTSA-N -3 3 358.350 2.142 20 0 FEADHL Cc1ccsc1-c1nc(=NC(=O)NCc2cnc(C)[n-]c2=O)s[n-]1 ZINC000473831797 561058549 /nfs/dbraw/zinc/05/85/49/561058549.db2.gz XCZHRGMZBOCBPD-UHFFFAOYSA-N -2 3 362.440 2.123 20 0 FEADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000541000351 562600013 /nfs/dbraw/zinc/60/00/13/562600013.db2.gz HBPAVDIIOAQAOM-UHFFFAOYSA-N -2 3 374.340 2.320 20 0 FEADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000563147893 568275220 /nfs/dbraw/zinc/27/52/20/568275220.db2.gz IXIPMGUOMUWSQR-ZJUUUORDSA-N -2 3 367.345 2.349 20 0 FEADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737270635 598841668 /nfs/dbraw/zinc/84/16/68/598841668.db2.gz NQEZEOWTIOXAGA-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737270635 598841669 /nfs/dbraw/zinc/84/16/69/598841669.db2.gz NQEZEOWTIOXAGA-UHFFFAOYSA-N -2 3 351.338 2.254 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)nc1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000738343326 598867823 /nfs/dbraw/zinc/86/78/23/598867823.db2.gz XCZDDTURLGUPNP-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)nc1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000738343326 598867824 /nfs/dbraw/zinc/86/78/24/598867824.db2.gz XCZDDTURLGUPNP-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccnn1[C@@H](C)C1CC1 ZINC000737301990 598932107 /nfs/dbraw/zinc/93/21/07/598932107.db2.gz ZTJZIFKOUPVBLV-NSHDSACASA-N -2 3 373.442 2.143 20 0 FEADHL O=S(=O)([N-]c1cc(Cl)ccc1O)c1ccc(-c2nnn[n-]2)cc1F ZINC000738345399 598949182 /nfs/dbraw/zinc/94/91/82/598949182.db2.gz LLUHSBXSCRCSLL-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL O=S(=O)([N-]c1cc(Cl)ccc1O)c1ccc(-c2nn[n-]n2)cc1F ZINC000738345399 598949183 /nfs/dbraw/zinc/94/91/83/598949183.db2.gz LLUHSBXSCRCSLL-UHFFFAOYSA-N -2 3 369.765 2.166 20 0 FEADHL C[C@@](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1F)(C(=O)[O-])c1ccccc1 ZINC000820225075 607325060 /nfs/dbraw/zinc/32/50/60/607325060.db2.gz ABZKFMPFFKLWSR-SFHVURJKSA-N -2 3 369.356 2.377 20 0 FEADHL C[C@@](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1F)(C(=O)[O-])c1ccccc1 ZINC000820225075 607325061 /nfs/dbraw/zinc/32/50/61/607325061.db2.gz ABZKFMPFFKLWSR-SFHVURJKSA-N -2 3 369.356 2.377 20 0 FEADHL C[C@@]([N-]S(=O)(=O)c1cc(Br)ccc1F)(C(=O)[O-])C1CC1 ZINC000736665562 600240463 /nfs/dbraw/zinc/24/04/63/600240463.db2.gz WINIDNMCMPUHLB-LBPRGKRZSA-N -2 3 366.208 2.120 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)nc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738341644 598333615 /nfs/dbraw/zinc/33/36/15/598333615.db2.gz HWQCBBWYHGZBEM-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=S(=O)([N-]c1ccc(Cl)nc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738341644 598333617 /nfs/dbraw/zinc/33/36/17/598333617.db2.gz HWQCBBWYHGZBEM-UHFFFAOYSA-N -2 3 371.209 2.369 20 0 FEADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1[O-] ZINC000539841544 598407986 /nfs/dbraw/zinc/40/79/86/598407986.db2.gz AKGSIZVKBGBEDP-UHFFFAOYSA-N -2 3 374.198 2.265 20 0 FEADHL CC(C)Oc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1-c1nnn[n-]1 ZINC000820161022 607365585 /nfs/dbraw/zinc/36/55/85/607365585.db2.gz SDZBXCXAZXFBNV-STQMWFEESA-N -2 3 371.397 2.259 20 0 FEADHL CC(C)Oc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1-c1nn[n-]n1 ZINC000820161022 607365587 /nfs/dbraw/zinc/36/55/87/607365587.db2.gz SDZBXCXAZXFBNV-STQMWFEESA-N -2 3 371.397 2.259 20 0 FEADHL C[C@@H](S[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)[O-] ZINC000736188214 598762399 /nfs/dbraw/zinc/76/23/99/598762399.db2.gz JCPPZKZLLXMGCC-RNFRBKRXSA-N -2 3 355.807 2.053 20 0 FEADHL C[C@@H](S[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC000736188214 598762401 /nfs/dbraw/zinc/76/24/01/598762401.db2.gz JCPPZKZLLXMGCC-RNFRBKRXSA-N -2 3 355.807 2.053 20 0 FEADHL Cc1ncccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000822478574 599691632 /nfs/dbraw/zinc/69/16/32/599691632.db2.gz UMIDEZBPKWVUHK-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1ncccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000822478574 599691633 /nfs/dbraw/zinc/69/16/33/599691633.db2.gz UMIDEZBPKWVUHK-UHFFFAOYSA-N -2 3 350.791 2.024 20 0 FEADHL Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000571281433 599774445 /nfs/dbraw/zinc/77/44/45/599774445.db2.gz XSRBWINCYHPEQW-GFCCVEGCSA-N -2 3 353.396 2.340 20 0 FEADHL O=C([O-])c1ccc(OCCNC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000740165370 599920705 /nfs/dbraw/zinc/92/07/05/599920705.db2.gz NPWWAFKLMSWOFU-UHFFFAOYSA-N -2 3 352.346 2.035 20 0 FEADHL CCCc1c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)[nH]c(C)c1C(=O)[O-] ZINC000737041155 600170794 /nfs/dbraw/zinc/17/07/94/600170794.db2.gz OOTNKOZCMFJTAB-UHFFFAOYSA-N -2 3 368.397 2.084 20 0 FEADHL CCCc1c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)[nH]c(C)c1C(=O)[O-] ZINC000737041155 600170796 /nfs/dbraw/zinc/17/07/96/600170796.db2.gz OOTNKOZCMFJTAB-UHFFFAOYSA-N -2 3 368.397 2.084 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)Cc1cccc(F)c1 ZINC000739501878 600445038 /nfs/dbraw/zinc/44/50/38/600445038.db2.gz KLQCRFCQIHTHCD-NSHDSACASA-N -2 3 372.805 2.096 20 0 FEADHL CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000738163912 600447136 /nfs/dbraw/zinc/44/71/36/600447136.db2.gz KUCVRKGAJSNUIG-AWEZNQCLSA-N -2 3 367.354 2.180 20 0 FEADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2C)ccc1C(=O)[O-] ZINC000831328150 600687845 /nfs/dbraw/zinc/68/78/45/600687845.db2.gz SFFOSVRNVKBUIG-UHFFFAOYSA-N -2 3 367.354 2.420 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)cc1C(=O)[O-] ZINC000572637284 601221157 /nfs/dbraw/zinc/22/11/57/601221157.db2.gz ZZSMEFMRBGUWAA-LBPRGKRZSA-N -2 3 355.343 2.227 20 0 FEADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)sc1C ZINC000832999784 601239739 /nfs/dbraw/zinc/23/97/39/601239739.db2.gz MSPKHSZLHFZLBM-UHFFFAOYSA-N -2 3 362.379 2.215 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1)c1ccc(C)o1 ZINC000831660466 601262570 /nfs/dbraw/zinc/26/25/70/601262570.db2.gz IUZUNVXJYYLGOZ-MLBQELRYSA-N -2 3 365.407 2.352 20 0 FEADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000832794940 601279409 /nfs/dbraw/zinc/27/94/09/601279409.db2.gz OLGMVTSUCAYNNQ-UHFFFAOYSA-N -2 3 363.395 2.318 20 0 FEADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Oc1cccc(C)c1 ZINC000582902894 601399895 /nfs/dbraw/zinc/39/98/95/601399895.db2.gz XWJIVLXSUINJLU-LBPRGKRZSA-N -2 3 353.396 2.422 20 0 FEADHL Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C)[C@H](C(=O)[O-])C3)cc2)cc(=O)[n-]1 ZINC000832991787 601780789 /nfs/dbraw/zinc/78/07/89/601780789.db2.gz YFNYYWNJLYHFJE-QMTHXVAHSA-N -2 3 356.382 2.342 20 0 FEADHL O=C([O-])NCCc1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000740672883 601891096 /nfs/dbraw/zinc/89/10/96/601891096.db2.gz ZLPRLWQPJXWOKE-UHFFFAOYSA-N -2 3 365.389 2.268 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739038961 601994289 /nfs/dbraw/zinc/99/42/89/601994289.db2.gz LWULUXYJICIAFY-BDAKNGLRSA-N -2 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Cc1cccc(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)c1F ZINC000663293551 678717633 /nfs/dbraw/zinc/71/76/33/678717633.db2.gz JLJDNTJCFSTMNV-SECBINFHSA-N -2 3 357.325 2.456 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CC2)oc1C(=O)[O-] ZINC000663424385 678735649 /nfs/dbraw/zinc/73/56/49/678735649.db2.gz PKGQQLIWWYCWLR-UHFFFAOYSA-N -2 3 353.371 2.435 20 0 FEADHL O=C1OCCN1c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1 ZINC000768056945 680936454 /nfs/dbraw/zinc/93/64/54/680936454.db2.gz XQKQRTDKGVRTJT-UHFFFAOYSA-N -2 3 352.343 2.289 20 0 FEADHL Cc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C)OCO2 ZINC000781114796 681902613 /nfs/dbraw/zinc/90/26/13/681902613.db2.gz BSQQTEIJBFYHLC-UHFFFAOYSA-N -2 3 365.363 2.237 20 0 FEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccnc1Cl)c1ccccc1F ZINC000914564599 685508444 /nfs/dbraw/zinc/50/84/44/685508444.db2.gz QBLHAYCWSLWCFS-NSHDSACASA-N -2 3 358.778 2.368 20 0 FEADHL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000853068903 682370827 /nfs/dbraw/zinc/37/08/27/682370827.db2.gz IOLNMESSBPEBKP-SECBINFHSA-N -2 3 364.192 2.040 20 0 FEADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(=O)[nH]c2c1 ZINC000793358245 682884550 /nfs/dbraw/zinc/88/45/50/682884550.db2.gz OLAMCXGDBPHSEI-UHFFFAOYSA-N -2 3 366.326 2.480 20 0 FEADHL O=C([O-])Cc1csc(C[N-]S(=O)(=O)C[C@@H]2CCCCC2(F)F)n1 ZINC000871772719 684854570 /nfs/dbraw/zinc/85/45/70/684854570.db2.gz YNANRVIUKPFDGO-VIFPVBQESA-N -2 3 368.427 2.015 20 0 FEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CC2CC=CC2)s1 ZINC000871994013 684907086 /nfs/dbraw/zinc/90/70/86/684907086.db2.gz RJIAZWOVMMJSAG-UHFFFAOYSA-N -2 3 366.258 2.453 20 0 FEADHL O=C([O-])[C@@H](CC1CCOCC1)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000910459300 685059653 /nfs/dbraw/zinc/05/96/53/685059653.db2.gz NDQARBMMAKGCCM-CYBMUJFWSA-N -2 3 361.316 2.411 20 0 FEADHL CSC1CCC(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000903039095 690837104 /nfs/dbraw/zinc/83/71/04/690837104.db2.gz QBUBEPOZPWQPMY-UHFFFAOYSA-N -2 3 350.487 2.041 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(F)cc3F)C2)c1 ZINC000903546350 690919874 /nfs/dbraw/zinc/91/98/74/690919874.db2.gz JXWULDCWKCCXLW-JLIMDTESSA-N -2 3 357.334 2.481 20 0 FEADHL Cc1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(=O)[O-])sc1Cl ZINC000906000626 691209988 /nfs/dbraw/zinc/20/99/88/691209988.db2.gz KVOYOCGPILCDLM-DTWKUNHWSA-N -2 3 353.849 2.011 20 0 FEADHL C[C@@]1(C(=O)[O-])C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000906011308 691213134 /nfs/dbraw/zinc/21/31/34/691213134.db2.gz RVAWSKYRIRQTGT-OQPBUACISA-N -2 3 368.238 2.294 20 0 FEADHL COc1ccc(C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)c([O-])c1 ZINC000908172752 691629839 /nfs/dbraw/zinc/62/98/39/691629839.db2.gz HIWHDTCCCWEOHU-GCULGPDHSA-N -2 3 351.424 2.260 20 0 FEADHL O=C(NCCNC(=O)c1cc2ccccc2cc1[O-])c1ccc([O-])cc1 ZINC000047552992 540317938 /nfs/dbraw/zinc/31/79/38/540317938.db2.gz XTMVFCVCBARVEB-UHFFFAOYSA-N -2 3 350.374 2.411 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)c(C)c1 ZINC000055586697 540661153 /nfs/dbraw/zinc/66/11/53/540661153.db2.gz SBYSNDZINKSKDS-UHFFFAOYSA-N -2 3 370.452 2.176 20 0 FEADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000128939745 544082023 /nfs/dbraw/zinc/08/20/23/544082023.db2.gz HFASVVUKEUKCSB-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000128939745 544082026 /nfs/dbraw/zinc/08/20/26/544082026.db2.gz HFASVVUKEUKCSB-UHFFFAOYSA-N -2 3 359.411 2.293 20 0 FEADHL CCc1cccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000080953685 325150266 /nfs/dbraw/zinc/15/02/66/325150266.db2.gz BNIXURKQZFJTDA-UHFFFAOYSA-N -2 3 354.453 2.421 20 0 FEADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H](c2ccco2)N2CCCC2)c1 ZINC000237963747 328535683 /nfs/dbraw/zinc/53/56/83/328535683.db2.gz GBGGTHGVUWSBID-GFCCVEGCSA-N -2 3 370.452 2.155 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)co1 ZINC000132741421 326597275 /nfs/dbraw/zinc/59/72/75/326597275.db2.gz REBWEQJIJPHGAD-UHFFFAOYSA-N -2 3 364.301 2.164 20 0 FEADHL CC(C)(C)CCC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000151590099 326686282 /nfs/dbraw/zinc/68/62/82/326686282.db2.gz SSIPOQVRDDRSJB-UHFFFAOYSA-N -2 3 366.480 2.302 20 0 FEADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161828850 327010215 /nfs/dbraw/zinc/01/02/15/327010215.db2.gz CRMYWSVEDHXNOU-GFCCVEGCSA-N -2 3 368.224 2.367 20 0 FEADHL COC[C@H]([N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)c1ccc(C)o1 ZINC000273640045 329880941 /nfs/dbraw/zinc/88/09/41/329880941.db2.gz DYPKUQPJZAAPQR-AWEZNQCLSA-N -2 3 353.396 2.261 20 0 FEADHL COc1cc(Cl)c(S(=O)(=O)[N-]CCSCC(=O)[O-])cc1Cl ZINC000274976852 329998521 /nfs/dbraw/zinc/99/85/21/329998521.db2.gz JGDUGCOJTMQXSN-UHFFFAOYSA-N -2 3 374.267 2.098 20 0 FEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCOCC1 ZINC000275004325 330001223 /nfs/dbraw/zinc/00/12/23/330001223.db2.gz OREBSQCYAAAJCO-UHFFFAOYSA-N -2 3 368.238 2.153 20 0 FEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000275064076 330006810 /nfs/dbraw/zinc/00/68/10/330006810.db2.gz VEGUZQFJHOIOIZ-BXKDBHETSA-N -2 3 371.846 2.122 20 0 FEADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000275236051 330024853 /nfs/dbraw/zinc/02/48/53/330024853.db2.gz JRNLFGGUCFRDBH-ZETCQYMHSA-N -2 3 365.251 2.389 20 0 FEADHL Cc1cnc2c(cccc2S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000275327995 330035754 /nfs/dbraw/zinc/03/57/54/330035754.db2.gz TWRMYMATZWZDQX-JTQLQIEISA-N -2 3 362.329 2.227 20 0 FEADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161829566 546134427 /nfs/dbraw/zinc/13/44/27/546134427.db2.gz DYNDWTZPVKJVNJ-SNVBAGLBSA-N -2 3 368.224 2.366 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC)cc1CC(=O)[O-] ZINC000479554699 561191914 /nfs/dbraw/zinc/19/19/14/561191914.db2.gz MKKDLHFVJLYQER-UHFFFAOYSA-N -2 3 369.370 2.271 20 0 FEADHL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1OC ZINC000484957576 561309367 /nfs/dbraw/zinc/30/93/67/561309367.db2.gz HGRYEARQAVBWAQ-QWRGUYRKSA-N -2 3 372.443 2.037 20 0 FEADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c1 ZINC000185044058 547922313 /nfs/dbraw/zinc/92/23/13/547922313.db2.gz HVVWGKXUFRIIIX-UHFFFAOYSA-N -2 3 372.371 2.400 20 0 FEADHL Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)[N-]OCc1ccc(F)cc1 ZINC000186482178 548141884 /nfs/dbraw/zinc/14/18/84/548141884.db2.gz HNEMHMUUNOTLPF-UHFFFAOYSA-N -2 3 358.373 2.371 20 0 FEADHL CCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000486887831 561359085 /nfs/dbraw/zinc/35/90/85/561359085.db2.gz PKHWZINWYUELBY-UHFFFAOYSA-N -2 3 359.411 2.456 20 0 FEADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230102538 548758003 /nfs/dbraw/zinc/75/80/03/548758003.db2.gz KKDTYRLBKRWWAA-QMMMGPOBSA-N -2 3 368.224 2.367 20 0 FEADHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000230275914 548760225 /nfs/dbraw/zinc/76/02/25/548760225.db2.gz VJDWELYBLBWGDS-NSHDSACASA-N -2 3 368.224 2.366 20 0 FEADHL O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000489476324 561412294 /nfs/dbraw/zinc/41/22/94/561412294.db2.gz DRZOYYFIQQYZSI-LLVKDONJSA-N -2 3 374.340 2.075 20 0 FEADHL O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1cccc([O-])c1 ZINC000490363960 561431824 /nfs/dbraw/zinc/43/18/24/561431824.db2.gz ICOKBQQYZWSAMR-UHFFFAOYSA-N -2 3 362.407 2.135 20 0 FEADHL Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)n1 ZINC000284182951 551499749 /nfs/dbraw/zinc/49/97/49/551499749.db2.gz XUMBYFIUAWUYLN-UHFFFAOYSA-N -2 3 373.818 2.252 20 0 FEADHL Cc1cccc(CCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)n1 ZINC000285595669 551780155 /nfs/dbraw/zinc/78/01/55/551780155.db2.gz VURJUABGXANWPK-UHFFFAOYSA-N -2 3 352.387 2.138 20 0 FEADHL O=C(Cc1sccc1C(=O)Nc1ncccc1[O-])Nc1ncccc1[O-] ZINC000499053296 561542075 /nfs/dbraw/zinc/54/20/75/561542075.db2.gz FZNHFNCPXGTTGT-UHFFFAOYSA-N -2 3 370.390 2.383 20 0 FEADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000287598580 552023823 /nfs/dbraw/zinc/02/38/23/552023823.db2.gz QZBKHELGGCCRMR-HTQZYQBOSA-N -2 3 369.292 2.032 20 0 FEADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)o1 ZINC000291862978 552669357 /nfs/dbraw/zinc/66/93/57/552669357.db2.gz GTVZABYAJLUIDY-UHFFFAOYSA-N -2 3 358.803 2.376 20 0 FEADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000297234034 553267000 /nfs/dbraw/zinc/26/70/00/553267000.db2.gz PFVOWQSRPJLXRT-MRVPVSSYSA-N -2 3 368.224 2.367 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)ccc1OCC(=O)[O-] ZINC000504228992 561654705 /nfs/dbraw/zinc/65/47/05/561654705.db2.gz CUBCDFIBQRFGOQ-UHFFFAOYSA-N -3 3 355.343 2.104 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c(C(=O)[O-])c1 ZINC000504666197 561661022 /nfs/dbraw/zinc/66/10/22/561661022.db2.gz PRQXDDZMXMSJFB-UHFFFAOYSA-N -2 3 374.374 2.036 20 0 FEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c(OC)c1 ZINC000326982963 553784912 /nfs/dbraw/zinc/78/49/12/553784912.db2.gz KPHRNNQQFJJELE-UHFFFAOYSA-N -2 3 355.343 2.342 20 0 FEADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(S(=O)(=O)[N-]C)c2)cc1 ZINC000507638565 561736118 /nfs/dbraw/zinc/73/61/18/561736118.db2.gz TTXLUXGRPKYBTF-UHFFFAOYSA-N -2 3 372.443 2.097 20 0 FEADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccc1OCCO ZINC000507880516 561744486 /nfs/dbraw/zinc/74/44/86/561744486.db2.gz XSVMDAQIINBIFN-UHFFFAOYSA-N -2 3 365.407 2.174 20 0 FEADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1CO ZINC000508249068 561756483 /nfs/dbraw/zinc/75/64/83/561756483.db2.gz QCYBGMZHJAAAFP-UHFFFAOYSA-N -2 3 353.371 2.379 20 0 FEADHL COCCOCCS(=O)(=O)[N-]c1cc(-c2cc3ccccc3o2)[n-]n1 ZINC000365033905 555470100 /nfs/dbraw/zinc/47/01/00/555470100.db2.gz CMHBVBYKWNRPCM-UHFFFAOYSA-N -2 3 365.411 2.228 20 0 FEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000369735716 556681095 /nfs/dbraw/zinc/68/10/95/556681095.db2.gz ISMIJSSPNDJQLH-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000369735716 556681096 /nfs/dbraw/zinc/68/10/96/556681096.db2.gz ISMIJSSPNDJQLH-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccnn3CC)c2)n1 ZINC000372519536 557491018 /nfs/dbraw/zinc/49/10/18/557491018.db2.gz AHEOVZCBYXREFT-UHFFFAOYSA-N -2 3 373.438 2.429 20 0 FEADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(F)c(C)c(C(=O)[O-])c2)o1 ZINC000520590051 562159690 /nfs/dbraw/zinc/15/96/90/562159690.db2.gz QHYYZNWZHFCAOT-UHFFFAOYSA-N -2 3 356.375 2.170 20 0 FEADHL Cc1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cc2s1 ZINC000520711936 562162126 /nfs/dbraw/zinc/16/21/26/562162126.db2.gz HJZBAHOAJZMFFD-UHFFFAOYSA-N -2 3 373.415 2.289 20 0 FEADHL C[C@H]1CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)C1(C)C ZINC000408504611 558685326 /nfs/dbraw/zinc/68/53/26/558685326.db2.gz VMWGWJFTYJQDBU-QFYYESIMSA-N -2 3 350.444 2.225 20 0 FEADHL Cc1ccoc1C[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000427251446 559751345 /nfs/dbraw/zinc/75/13/45/559751345.db2.gz SHAFVHIPEOFOHS-UHFFFAOYSA-N -2 3 359.787 2.183 20 0 FEADHL CCOc1cc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc(Cl)c1[O-] ZINC000428122467 559770118 /nfs/dbraw/zinc/77/01/18/559770118.db2.gz STZKKDKASJWJRK-UHFFFAOYSA-N -2 3 361.732 3.032 20 0 FEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c(C)o1 ZINC000431680852 559843960 /nfs/dbraw/zinc/84/39/60/559843960.db2.gz WDXJNSKDYFQPKM-UHFFFAOYSA-N -2 3 366.395 2.063 20 0 FEADHL Cc1ncc(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c(=O)[n-]1 ZINC000435437451 559923059 /nfs/dbraw/zinc/92/30/59/559923059.db2.gz JZNQCTOSKYNUEN-UHFFFAOYSA-N -2 3 366.201 2.415 20 0 FEADHL O=c1[n-]nc([C@H]2CCCN(Cc3cc(=O)[n-]c(-c4ccccc4)n3)C2)o1 ZINC000459433236 560686017 /nfs/dbraw/zinc/68/60/17/560686017.db2.gz BKSDSDJNYHZVDH-ZDUSSCGKSA-N -2 3 353.382 2.317 20 0 FEADHL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000460428498 560743524 /nfs/dbraw/zinc/74/35/24/560743524.db2.gz LERMYOHABZHBGX-UHFFFAOYSA-N -2 3 366.370 2.307 20 0 FEADHL CN1CCc2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3F)cc21 ZINC000468900032 560941866 /nfs/dbraw/zinc/94/18/66/560941866.db2.gz JKBRBHWLZVPTRL-UHFFFAOYSA-N -2 3 350.371 2.317 20 0 FEADHL COc1ccc(OCCS(=O)(=O)[N-]c2cc(OC)ccc2[O-])cc1 ZINC000469123812 560947721 /nfs/dbraw/zinc/94/77/21/560947721.db2.gz YKSZKLDXKXCDSR-UHFFFAOYSA-N -2 3 353.396 2.230 20 0 FEADHL O=C([N-]c1cc([N-]C(=O)c2cnns2)c(F)cc1F)c1cnns1 ZINC000470624482 560986228 /nfs/dbraw/zinc/98/62/28/560986228.db2.gz IYDWBLABQGLDES-UHFFFAOYSA-N -2 3 368.350 2.172 20 0 FEADHL O=C(NCc1ncccc1[O-])c1ccc(I)c([O-])c1 ZINC000473636831 561054832 /nfs/dbraw/zinc/05/48/32/561054832.db2.gz HPKOCDCMPYBOIS-UHFFFAOYSA-N -2 3 370.146 2.027 20 0 FEADHL O=C([O-])c1c(Br)cccc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000530146058 562399799 /nfs/dbraw/zinc/39/97/99/562399799.db2.gz ZQDPJYWOQMFKSD-QMMMGPOBSA-N -2 3 364.217 2.068 20 0 FEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)c1 ZINC000530148999 562400085 /nfs/dbraw/zinc/40/00/85/562400085.db2.gz BCYUGFMXTFFRED-KWCYVHTRSA-N -2 3 353.783 2.248 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2C)c1 ZINC000537196183 562587608 /nfs/dbraw/zinc/58/76/08/562587608.db2.gz ZFQRLTGZUHMIGY-UHFFFAOYSA-N -2 3 350.396 2.468 20 0 FEADHL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737052734 598946749 /nfs/dbraw/zinc/94/67/49/598946749.db2.gz AAERPZDXGXYWIV-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)cc1 ZINC000556771973 674418844 /nfs/dbraw/zinc/41/88/44/674418844.db2.gz DVHIEADCIVVLKC-UHFFFAOYSA-N -2 3 367.354 2.380 20 0 FEADHL C[C@H](C(=O)[O-])N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000819889189 597652672 /nfs/dbraw/zinc/65/26/72/597652672.db2.gz MUAXDGQYAVNNCR-DYVFJYSZSA-N -2 3 370.405 2.185 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccs1 ZINC000738345884 598549168 /nfs/dbraw/zinc/54/91/68/598549168.db2.gz QJAQBQOOALQXFE-UHFFFAOYSA-N -2 3 373.366 2.330 20 0 FEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccs1 ZINC000738345884 598549170 /nfs/dbraw/zinc/54/91/70/598549170.db2.gz QJAQBQOOALQXFE-UHFFFAOYSA-N -2 3 373.366 2.330 20 0 FEADHL CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000820151093 599299365 /nfs/dbraw/zinc/29/93/65/599299365.db2.gz CNHAMGJUOALWHI-OLZOCXBDSA-N -2 3 371.397 2.259 20 0 FEADHL C[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1ccc(C(=O)[O-])o1 ZINC000736690100 599748660 /nfs/dbraw/zinc/74/86/60/599748660.db2.gz MBJJKWZVQUZGKP-MRVPVSSYSA-N -2 3 371.342 2.406 20 0 FEADHL COc1ccc([C@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C(=O)[O-])cc1 ZINC000737960615 599758821 /nfs/dbraw/zinc/75/88/21/599758821.db2.gz BCXDZONKZNGQTJ-KRWDZBQOSA-N -2 3 352.346 2.092 20 0 FEADHL Cc1ccc(C(=O)NCCC(=O)OCc2ccc(C(=O)[O-])cc2)c([O-])c1 ZINC000738515374 599789148 /nfs/dbraw/zinc/78/91/48/599789148.db2.gz XHPQLMUHCYVWFU-UHFFFAOYSA-N -2 3 357.362 2.262 20 0 FEADHL COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000609219365 599853077 /nfs/dbraw/zinc/85/30/77/599853077.db2.gz TVIXWHJDOWNTDX-UHFFFAOYSA-N -2 3 363.391 2.291 20 0 FEADHL Cc1ccc([C@@H](CNC(=O)c2nnc3ccccc3c2[O-])C(=O)[O-])cc1 ZINC000738568940 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ZINC000740685836 602721226 /nfs/dbraw/zinc/72/12/26/602721226.db2.gz QHKAHHGYVYCUQG-UHFFFAOYSA-N -2 3 362.346 2.087 20 0 FEADHL Cc1nccn1-c1ccc(CNC(=O)c2ccc(NC(=O)[O-])cc2[O-])cn1 ZINC000740237044 602853415 /nfs/dbraw/zinc/85/34/15/602853415.db2.gz QXYYOLHWQWNZQS-UHFFFAOYSA-N -2 3 367.365 2.301 20 0 FEADHL O=C([O-])N1CCc2c(cccc2NC=C2C(=O)[N-]C(=O)c3ccccc32)C1 ZINC000740731699 603183443 /nfs/dbraw/zinc/18/34/43/603183443.db2.gz DUJQOHXADFXKBV-YBEGLDIGSA-N -2 3 363.373 2.446 20 0 FEADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@H]3CC[C@@H](NC(=O)[O-])C3)c2)n1 ZINC000829893269 603473772 /nfs/dbraw/zinc/47/37/72/603473772.db2.gz FGIAODHJKDJPKQ-QWHCGFSZSA-N -2 3 357.366 2.499 20 0 FEADHL CC(=O)Nc1ccc([O-])c(C(=O)N(C)CC[C@H](NC(=O)[O-])C(C)C)c1 ZINC000823611641 603606825 /nfs/dbraw/zinc/60/68/25/603606825.db2.gz RSUCYKDDYOEZBJ-AWEZNQCLSA-N -2 3 351.403 2.105 20 0 FEADHL O=C([O-])NC[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000832428901 604276604 /nfs/dbraw/zinc/27/66/04/604276604.db2.gz 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C[C@@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833548426 605198432 /nfs/dbraw/zinc/19/84/32/605198432.db2.gz KAICXPLHHMXQIC-WFASDCNBSA-N -2 3 364.423 2.092 20 0 FEADHL O=C([O-])N[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000834131257 605602155 /nfs/dbraw/zinc/60/21/55/605602155.db2.gz WMWUTOHXSNAASQ-CQSZACIVSA-N -2 3 352.354 2.204 20 0 FEADHL O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000834105046 605645223 /nfs/dbraw/zinc/64/52/23/605645223.db2.gz FPGDKKMXMVBJDI-OLZOCXBDSA-N -2 3 362.382 2.258 20 0 FEADHL O=C([O-])N1CCC2(CCN(C(=O)NCc3ccc([O-])c(F)c3)C2)CC1 ZINC000834090613 605933033 /nfs/dbraw/zinc/93/30/33/605933033.db2.gz RGQACPXHUADPQP-UHFFFAOYSA-N -2 3 351.378 2.207 20 0 FEADHL O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1c(F)cc([O-])cc1F ZINC000823440153 606130329 /nfs/dbraw/zinc/13/03/29/606130329.db2.gz FPQVJKHYELQAJU-UHFFFAOYSA-N -2 3 371.303 2.460 20 0 FEADHL O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)c1c(F)cc([O-])cc1F ZINC000823440153 606130330 /nfs/dbraw/zinc/13/03/30/606130330.db2.gz FPQVJKHYELQAJU-UHFFFAOYSA-N -2 3 371.303 2.460 20 0 FEADHL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000821487095 606210334 /nfs/dbraw/zinc/21/03/34/606210334.db2.gz QPTIFMKSBFSRDH-UHFFFAOYSA-N -2 3 359.411 2.244 20 0 FEADHL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000821487095 606210335 /nfs/dbraw/zinc/21/03/35/606210335.db2.gz QPTIFMKSBFSRDH-UHFFFAOYSA-N -2 3 359.411 2.244 20 0 FEADHL O=S(=O)([N-]CC1CCCCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572582 606883591 /nfs/dbraw/zinc/88/35/91/606883591.db2.gz IZWXJIFJKVTCNB-UHFFFAOYSA-N -2 3 357.386 2.004 20 0 FEADHL CC1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCC1 ZINC000820618461 606889545 /nfs/dbraw/zinc/88/95/45/606889545.db2.gz FCZFFWZMOPIFFS-UHFFFAOYSA-N -2 3 357.386 2.004 20 0 FEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c(C)c1 ZINC000822195235 607026695 /nfs/dbraw/zinc/02/66/95/607026695.db2.gz LDJUTRUKJWNYQM-UHFFFAOYSA-N -2 3 350.429 2.049 20 0 FEADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cccc2ccccc21 ZINC000823589229 607027251 /nfs/dbraw/zinc/02/72/51/607027251.db2.gz ULJKDZNPHAEEMX-UHFFFAOYSA-N -2 3 358.408 2.277 20 0 FEADHL O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1c(F)cc([O-])cc1F ZINC000823413622 607084836 /nfs/dbraw/zinc/08/48/36/607084836.db2.gz LEZUJRIGFYWRNF-UHFFFAOYSA-N -2 3 350.256 2.347 20 0 FEADHL O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1c(F)cc([O-])cc1F ZINC000823413622 607084839 /nfs/dbraw/zinc/08/48/39/607084839.db2.gz LEZUJRIGFYWRNF-UHFFFAOYSA-N -2 3 350.256 2.347 20 0 FEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c1 ZINC000826208539 608107736 /nfs/dbraw/zinc/10/77/36/608107736.db2.gz PNMRDFQCDIIGRQ-UHFFFAOYSA-N -2 3 365.802 2.330 20 0 FEADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1cccc2cccnc21 ZINC000826493185 608108074 /nfs/dbraw/zinc/10/80/74/608108074.db2.gz XKWAEWAVIWRHJE-UHFFFAOYSA-N -2 3 352.379 2.216 20 0 FEADHL O=C([O-])[C@@H](CCc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000560081052 674567100 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CC(C)[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1nc(C2CC2)no1 ZINC000565418976 599774981 /nfs/dbraw/zinc/77/49/81/599774981.db2.gz FJURGQCLIFRYTD-ZDUSSCGKSA-N -2 3 365.411 2.321 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)o1 ZINC000570798153 599778012 /nfs/dbraw/zinc/77/80/12/599778012.db2.gz QJDWFAQZDCQJSB-WFASDCNBSA-N -2 3 351.380 2.176 20 0 FEADHL COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000571795091 599778870 /nfs/dbraw/zinc/77/88/70/599778870.db2.gz LQJKLZJTWQJHFA-UHFFFAOYSA-N -2 3 353.396 2.286 20 0 FEADHL Cc1cc(COC(=O)CCNC(=O)c2ccc(C)cc2[O-])oc1C(=O)[O-] ZINC000738514437 599789311 /nfs/dbraw/zinc/78/93/11/599789311.db2.gz IFJXWEMTYRGOIZ-UHFFFAOYSA-N -2 3 361.350 2.164 20 0 FEADHL Cc1nc(C)c(CCC(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c(=O)[n-]1 ZINC000738847178 599934570 /nfs/dbraw/zinc/93/45/70/599934570.db2.gz LOCDPMMIPPAAMR-MRXNPFEDSA-N -2 3 357.410 2.454 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000738655488 600301645 /nfs/dbraw/zinc/30/16/45/600301645.db2.gz YEIHPPMRKOKSBI-UHFFFAOYSA-N -3 3 364.379 2.262 20 0 FEADHL O=C([O-])[C@@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(Cl)c1 ZINC000740297377 600330278 /nfs/dbraw/zinc/33/02/78/600330278.db2.gz FSDABZIXMYWYGS-ZDUSSCGKSA-N -2 3 359.721 2.206 20 0 FEADHL CC(C)Oc1cccnc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000827063149 601158332 /nfs/dbraw/zinc/15/83/32/601158332.db2.gz PYNNQRWTXAJFMA-UHFFFAOYSA-N -2 3 350.400 2.380 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H]2COc3c2ccc(C)c3C)cc1C(=O)[O-] ZINC000572957482 601220325 /nfs/dbraw/zinc/22/03/25/601220325.db2.gz DNODEQPMOPQKOE-ZDUSSCGKSA-N -2 3 351.380 2.315 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3)C2)cc1C(=O)[O-] ZINC000833027095 601222371 /nfs/dbraw/zinc/22/23/71/601222371.db2.gz BIUQGRCMHFENDD-ZDUSSCGKSA-N -2 3 364.423 2.234 20 0 FEADHL COc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000580831870 601223182 /nfs/dbraw/zinc/22/31/82/601223182.db2.gz JEGXEVRURRUOBZ-SNVBAGLBSA-N -2 3 369.395 2.041 20 0 FEADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C12CCCC2 ZINC000567730464 601223955 /nfs/dbraw/zinc/22/39/55/601223955.db2.gz CAUWQDOEISHDJZ-CHWSQXEVSA-N -2 3 357.428 2.302 20 0 FEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)c1F ZINC000324657174 601232431 /nfs/dbraw/zinc/23/24/31/601232431.db2.gz BSCPCJLZDAKALO-ZYHUDNBSSA-N -2 3 353.346 2.497 20 0 FEADHL Cc1noc(C)c1CCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833019779 601564186 /nfs/dbraw/zinc/56/41/86/601564186.db2.gz FVMFIZOYYTZBRE-UHFFFAOYSA-N -2 3 374.365 2.179 20 0 FEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C1CC1 ZINC000776578696 601573996 /nfs/dbraw/zinc/57/39/96/601573996.db2.gz XYKKBYBXGBDRKV-SNVBAGLBSA-N -2 3 366.208 2.120 20 0 FEADHL CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000830348228 601585749 /nfs/dbraw/zinc/58/57/49/601585749.db2.gz RUBJYJQYHRPMBB-UHFFFAOYSA-N -2 3 374.365 2.254 20 0 FEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1-c1nn[n-]n1 ZINC000826303980 607533111 /nfs/dbraw/zinc/53/31/11/607533111.db2.gz PQCVYPKYPXWJQU-UHFFFAOYSA-N -2 3 355.423 2.465 20 0 FEADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c(C)c1O ZINC000826291658 607533737 /nfs/dbraw/zinc/53/37/37/607533737.db2.gz PMRCUGHUEUFONH-UHFFFAOYSA-N -2 3 359.411 2.298 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1F ZINC000826210552 607533816 /nfs/dbraw/zinc/53/38/16/607533816.db2.gz WAQIFKDNOAPCSA-UHFFFAOYSA-N -2 3 363.374 2.124 20 0 FEADHL COc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c(Cl)n1 ZINC000832419582 602106923 /nfs/dbraw/zinc/10/69/23/602106923.db2.gz PGXOCPZINZEJGB-UHFFFAOYSA-N -2 3 360.750 2.382 20 0 FEADHL COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1nc(C)cc(=O)[n-]1)CC2 ZINC000832103625 602311150 /nfs/dbraw/zinc/31/11/50/602311150.db2.gz UWTBCJWWEAWALJ-AWEZNQCLSA-N -2 3 373.409 2.082 20 0 FEADHL O=C(NCCSCc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1[O-] ZINC000826439042 607563987 /nfs/dbraw/zinc/56/39/87/607563987.db2.gz CGVALAZKVUTVDN-UHFFFAOYSA-N -2 3 373.413 2.375 20 0 FEADHL Cc1nc(C)c(CCC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)c(=O)[n-]1 ZINC000740218919 602484660 /nfs/dbraw/zinc/48/46/60/602484660.db2.gz SFWMNWOZNOWRAX-OAHLLOKOSA-N -2 3 364.446 2.064 20 0 FEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)cc1C(N)=O ZINC000740146009 602653573 /nfs/dbraw/zinc/65/35/73/602653573.db2.gz DRECWOOFZWKWTJ-UHFFFAOYSA-N -2 3 367.358 2.124 20 0 FEADHL O=C([O-])NC1(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCCCC1 ZINC000832223723 603110819 /nfs/dbraw/zinc/11/08/19/603110819.db2.gz QQINXIOMOHHVHG-UHFFFAOYSA-N -2 3 366.361 2.353 20 0 FEADHL O=C([O-])NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000832483910 603133022 /nfs/dbraw/zinc/13/30/22/603133022.db2.gz UNNRSVVWCRNCCW-KWQFWETISA-N -2 3 350.799 2.194 20 0 FEADHL C[C@H](C(=O)Nc1n[n-]c(-c2ccccn2)n1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823723597 603389561 /nfs/dbraw/zinc/38/95/61/603389561.db2.gz LQUWJRHMGFROFZ-FZMZJTMJSA-N -2 3 366.381 2.450 20 0 FEADHL Cc1nc(C)c(CCC(=O)NCCc2ccc(NC(=O)[O-])cc2)c(=O)[n-]1 ZINC000738847701 603455301 /nfs/dbraw/zinc/45/53/01/603455301.db2.gz OCGKQCAXZIQBPS-UHFFFAOYSA-N -2 3 358.398 2.180 20 0 FEADHL O=C([O-])N1CCC[C@@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)C1 ZINC000831806010 603736408 /nfs/dbraw/zinc/73/64/08/603736408.db2.gz JKAKEVXXAXGKBW-MRVPVSSYSA-N -2 3 351.313 2.078 20 0 FEADHL CCN(CC1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1)C(=O)[O-] ZINC000827075027 604149673 /nfs/dbraw/zinc/14/96/73/604149673.db2.gz MIMNZWAQMDQAGI-UHFFFAOYSA-N -2 3 353.394 2.453 20 0 FEADHL CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833399397 604687504 /nfs/dbraw/zinc/68/75/04/604687504.db2.gz BUJNOIORWWWNCQ-UHFFFAOYSA-N -2 3 369.786 2.192 20 0 FEADHL CC(C)(C)c1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000833449915 605036037 /nfs/dbraw/zinc/03/60/37/605036037.db2.gz DTYXVQNBKRIMPS-CYBMUJFWSA-N -2 3 367.423 2.287 20 0 FEADHL CC(C)(C)c1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000833449917 605036073 /nfs/dbraw/zinc/03/60/73/605036073.db2.gz DTYXVQNBKRIMPS-ZDUSSCGKSA-N -2 3 367.423 2.287 20 0 FEADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC(C)(C)C ZINC000833482131 605211040 /nfs/dbraw/zinc/21/10/40/605211040.db2.gz CUNGRIPXECAYAE-LLVKDONJSA-N -2 3 361.416 2.013 20 0 FEADHL O=C([O-])N1CCC(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000831714639 605415147 /nfs/dbraw/zinc/41/51/47/605415147.db2.gz FWMNVJYCXNRKDB-UHFFFAOYSA-N -2 3 357.204 2.161 20 0 FEADHL O=C([O-])N[C@H]1CC[C@H](C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000832269749 605415426 /nfs/dbraw/zinc/41/54/26/605415426.db2.gz LQFOMKQIZBFZJV-UWVGGRQHSA-N -2 3 357.204 2.207 20 0 FEADHL O=C([O-])N1CC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000834078509 605427171 /nfs/dbraw/zinc/42/71/71/605427171.db2.gz QUFYLPDXTKBOEA-MRVPVSSYSA-N -2 3 353.227 2.272 20 0 FEADHL O=C([O-])Nc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000833290573 605708236 /nfs/dbraw/zinc/70/82/36/605708236.db2.gz XDBVMYWXZZOWKE-UHFFFAOYSA-N -2 3 369.377 2.080 20 0 FEADHL O=S(=O)([N-]c1ccccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000823589075 606469447 /nfs/dbraw/zinc/46/94/47/606469447.db2.gz LSDXBSGTTWVTAM-UHFFFAOYSA-N -2 3 370.316 2.081 20 0 FEADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000820542621 607110571 /nfs/dbraw/zinc/11/05/71/607110571.db2.gz PHDDFZKBCYDTBJ-VIFPVBQESA-N -2 3 371.328 2.110 20 0 FEADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000820542621 607110572 /nfs/dbraw/zinc/11/05/72/607110572.db2.gz PHDDFZKBCYDTBJ-VIFPVBQESA-N -2 3 371.328 2.110 20 0 FEADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(-c2ccccc2)cc1 ZINC000826492396 608307673 /nfs/dbraw/zinc/30/76/73/608307673.db2.gz IDCQBELOBKXFLC-UHFFFAOYSA-N -2 3 367.394 2.058 20 0 FEADHL CC(=O)c1ccc([O-])c(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000824030196 609350064 /nfs/dbraw/zinc/35/00/64/609350064.db2.gz YYNNGYBMJFITIN-UHFFFAOYSA-N -2 3 358.745 2.076 20 0 FEADHL CC(=O)c1ccc([O-])c(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000824030196 609350066 /nfs/dbraw/zinc/35/00/66/609350066.db2.gz YYNNGYBMJFITIN-UHFFFAOYSA-N -2 3 358.745 2.076 20 0 FEADHL CC(=O)Nc1ccc(F)c(C(=O)[N-]NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000054102308 670332263 /nfs/dbraw/zinc/33/22/63/670332263.db2.gz ZQXKFKRHHRNBOA-UHFFFAOYSA-N -2 3 365.748 2.218 20 0 FEADHL Cc1c(Cl)cccc1S(=O)(=O)[N-][N-]C(=O)CCOc1ccccc1 ZINC000060838554 670389789 /nfs/dbraw/zinc/38/97/89/670389789.db2.gz GSGSQXITIBHFKJ-UHFFFAOYSA-N -2 3 368.842 2.427 20 0 FEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC1CC(c2ccccc2)C1 ZINC000569923446 670634971 /nfs/dbraw/zinc/63/49/71/670634971.db2.gz KSNIMBBMBKUHMV-UHFFFAOYSA-N -2 3 352.437 2.313 20 0 FEADHL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)CCOC(F)(F)F)ccc12 ZINC000571728358 670917056 /nfs/dbraw/zinc/91/70/56/670917056.db2.gz KWNMSFKKXJNYLT-UHFFFAOYSA-N -2 3 352.290 2.144 20 0 FEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000572517186 671012209 /nfs/dbraw/zinc/01/22/09/671012209.db2.gz FCGCNPUSWLWHQK-NSHDSACASA-N -2 3 358.416 2.339 20 0 FEADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000572817249 671047350 /nfs/dbraw/zinc/04/73/50/671047350.db2.gz VKONKAOLXGTZEL-QMMMGPOBSA-N -2 3 373.324 2.359 20 0 FEADHL COc1ccccc1C(C)(C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000577488839 671599507 /nfs/dbraw/zinc/59/95/07/671599507.db2.gz IXSMGAIULLJQOC-UHFFFAOYSA-N -2 3 356.425 2.064 20 0 FEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000581724017 671930203 /nfs/dbraw/zinc/93/02/03/671930203.db2.gz KIAZTBNKEQGDSX-UKRRQHHQSA-N -2 3 365.407 2.485 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2c(C)ccc3cccnc32)c[n-]1 ZINC000585730916 672227737 /nfs/dbraw/zinc/22/77/37/672227737.db2.gz PSZYYWIBXFBXMR-UHFFFAOYSA-N -2 3 360.395 2.244 20 0 FEADHL COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000589542951 672530806 /nfs/dbraw/zinc/53/08/06/672530806.db2.gz OLIXTHUOGPJDFI-UHFFFAOYSA-N -2 3 367.354 2.040 20 0 FEADHL CCOC(=O)c1nc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c[n-]1 ZINC000591649316 672697144 /nfs/dbraw/zinc/69/71/44/672697144.db2.gz GTECYWVUCGPDQT-UHFFFAOYSA-N -2 3 357.819 2.224 20 0 FEADHL CC(F)(F)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000700055905 673055646 /nfs/dbraw/zinc/05/56/46/673055646.db2.gz LHYVEWVXLLOYEK-UHFFFAOYSA-N -2 3 358.160 2.081 20 0 FEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)CC1CC1 ZINC000405411366 673168756 /nfs/dbraw/zinc/16/87/56/673168756.db2.gz ULJRJQYATWWBIM-QMMMGPOBSA-N -2 3 368.274 2.290 20 0 FEADHL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000538298390 673432653 /nfs/dbraw/zinc/43/26/53/673432653.db2.gz ICKQQEXLEKRSMC-UHFFFAOYSA-N -2 3 351.380 2.297 20 0 FEADHL Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C(=O)[O-])cc1 ZINC000547557098 673862996 /nfs/dbraw/zinc/86/29/96/673862996.db2.gz ISINUDPJJNEDET-CQSZACIVSA-N -2 3 368.342 2.147 20 0 FEADHL CCCSC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000547908429 673902825 /nfs/dbraw/zinc/90/28/25/673902825.db2.gz MJILZPNNPJNUAC-JTQLQIEISA-N -2 3 355.840 2.354 20 0 FEADHL Nc1ncc(Cl)cc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000548197084 673932803 /nfs/dbraw/zinc/93/28/03/673932803.db2.gz QTIJWJFHJBYTOC-UHFFFAOYSA-N -2 3 362.194 2.470 20 0 FEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccsc1 ZINC000548260452 673943913 /nfs/dbraw/zinc/94/39/13/673943913.db2.gz YGVWRZOPDCYQMP-NSHDSACASA-N -2 3 351.327 2.270 20 0 FEADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000548769314 673993844 /nfs/dbraw/zinc/99/38/44/673993844.db2.gz ORZGXKQWILMEFP-VIFPVBQESA-N -2 3 354.350 2.412 20 0 FEADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000548769313 673993854 /nfs/dbraw/zinc/99/38/54/673993854.db2.gz ORZGXKQWILMEFP-SECBINFHSA-N -2 3 354.350 2.412 20 0 FEADHL CC(C)(C)C[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000821245864 675422801 /nfs/dbraw/zinc/42/28/01/675422801.db2.gz BFUIXMGWUWJAAR-CMPLNLGQSA-N -2 3 367.826 2.008 20 0 FEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000606827068 675842528 /nfs/dbraw/zinc/84/25/28/675842528.db2.gz QUBPVDCVCXDZBX-HNNXBMFYSA-N -2 3 363.391 2.353 20 0 FEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]Cc1cccc(OC2CC2)c1F ZINC000656718861 677812466 /nfs/dbraw/zinc/81/24/66/677812466.db2.gz DLFYZOKAVFUCSO-UHFFFAOYSA-N -2 3 372.399 2.000 20 0 FEADHL Cc1cc(F)ccc1C[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000656719031 677812985 /nfs/dbraw/zinc/81/29/85/677812985.db2.gz ZBJHVLFKMZMSJE-VIFPVBQESA-N -2 3 358.416 2.198 20 0 FEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC[C@@]1(C)CC1(F)F ZINC000656731681 677820964 /nfs/dbraw/zinc/82/09/64/677820964.db2.gz UMAGYQBOCLTFBX-NSHDSACASA-N -2 3 355.384 2.169 20 0 FEADHL COc1ccc(OCCC[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000663423594 678735726 /nfs/dbraw/zinc/73/57/26/678735726.db2.gz YCWPZJQTVNLVCD-UHFFFAOYSA-N -2 3 369.395 2.042 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]CCc2nc3c(cccc3C)o2)oc1C(=O)[O-] ZINC000663424127 678735853 /nfs/dbraw/zinc/73/58/53/678735853.db2.gz MOZRHWKLUOSYGF-UHFFFAOYSA-N -2 3 364.379 2.257 20 0 FEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(F)c2)oc1C(=O)[O-] ZINC000663425137 678736082 /nfs/dbraw/zinc/73/60/82/678736082.db2.gz WCVLBKKANGMFOH-SNVBAGLBSA-N -2 3 357.359 2.171 20 0 FEADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000837285951 680580322 /nfs/dbraw/zinc/58/03/22/680580322.db2.gz AXIDDHOEGSJCIO-UHFFFAOYSA-N -2 3 361.807 2.190 20 0 FEADHL CO[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)CC(C)C ZINC000841491414 680886960 /nfs/dbraw/zinc/88/69/60/680886960.db2.gz FCGRTLOMXJHQFO-VIFPVBQESA-N -2 3 351.371 2.002 20 0 FEADHL O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844789736 681082565 /nfs/dbraw/zinc/08/25/65/681082565.db2.gz SLNGVBPGPHKASC-NSHDSACASA-N -2 3 350.799 2.186 20 0 FEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)c1 ZINC000775670079 681322944 /nfs/dbraw/zinc/32/29/44/681322944.db2.gz IFUCAQGVZCINOB-UHFFFAOYSA-N -2 3 364.379 2.158 20 0 FEADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000849457752 681744288 /nfs/dbraw/zinc/74/42/88/681744288.db2.gz LRYZLODQASXRBT-KCJUWKMLSA-N -2 3 364.826 2.432 20 0 FEADHL Cc1ccc(F)cc1CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852733750 682329008 /nfs/dbraw/zinc/32/90/08/682329008.db2.gz YCFGSWZKTLGBQP-STQMWFEESA-N -2 3 362.323 2.230 20 0 FEADHL O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000790047108 682651601 /nfs/dbraw/zinc/65/16/01/682651601.db2.gz FNGZDPPIAKVUKA-LLVKDONJSA-N -2 3 361.785 2.390 20 0 FEADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc(Cl)ccc2[O-])o1 ZINC000790048785 682652046 /nfs/dbraw/zinc/65/20/46/682652046.db2.gz VBKMVJHTLWEWDA-UHFFFAOYSA-N -2 3 373.818 2.363 20 0 FEADHL O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[N-]OCC1CCC1 ZINC000856343190 682768094 /nfs/dbraw/zinc/76/80/94/682768094.db2.gz YDJCTYWYTSNTCB-UHFFFAOYSA-N -2 3 367.254 2.120 20 0 FEADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)[C@H]2C[C@H]21 ZINC000926601812 683152463 /nfs/dbraw/zinc/15/24/63/683152463.db2.gz WVOIBDWVRPDICT-LOKLDPHHSA-N -2 3 367.320 2.232 20 0 FEADHL C[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C1CC1 ZINC000871801394 684857565 /nfs/dbraw/zinc/85/75/65/684857565.db2.gz RXTMRKIKUMPQKE-RXMQYKEDSA-N -2 3 354.247 2.286 20 0 FEADHL COc1cc(Cl)c(S(=O)(=O)[N-]C2(C(F)F)CC2)cc1C(=O)[O-] ZINC000871958756 684894238 /nfs/dbraw/zinc/89/42/38/684894238.db2.gz FVMFQPWIVYLJDU-UHFFFAOYSA-N -2 3 355.746 2.123 20 0 FEADHL O=C([O-])CC1CC([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000899933662 690443357 /nfs/dbraw/zinc/44/33/57/690443357.db2.gz WNGMBBJGHAHJPQ-UHFFFAOYSA-N -2 3 355.309 2.376 20 0 FEADHL Cc1ncc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000899953167 690448751 /nfs/dbraw/zinc/44/87/51/690448751.db2.gz BFXOLJZKNGTMDN-LLVKDONJSA-N -2 3 358.416 2.127 20 0 FEADHL C[C@@H]1CCN(Cc2ccc(C(=O)[O-])s2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000903693176 690963349 /nfs/dbraw/zinc/96/33/49/690963349.db2.gz UCVIIWOHRJIELF-SCZZXKLOSA-N -2 3 350.362 2.335 20 0 FEADHL O=C([O-])[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@H]1C1CC1 ZINC000909906085 691869935 /nfs/dbraw/zinc/86/99/35/691869935.db2.gz WDCMVDOZVGCGOR-QWHCGFSZSA-N -2 3 354.200 2.338 20 0 FEADHL